A0A077Z132_TRITR Loading...

Histone deacetylase family protein

AlphaFold DB , UniProt , Accession A0A077Z132, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 479 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
1M38.8Very low35.8Very low234 Ų234153.2 Ų153.2100%1.15382%0.817SS**  0105.40-77.2166.1160.200108.1N3M1-N3 PolarHBondContact O-N 2.85Å
2K34.9Very low36Very low203 Ų203155.3 Ų155.388%0.88382%0.819SS**  trans-75.8108.2170.6-85-179.4174.7177.70106.7T4K2-T4 VanDerWaalsContact C-N 3.29Å; K2-T4 PolarHBondContact O-N 3.36Å; K2-T4 PolarHBondContact O-OG1 3.27Å
3N35.8Very low36.8Very low151 Ų151160.9 Ų160.981%0.80782%0.822SS**  trans-58.794.4170-81.1-8.4000108.4M1 M5M1-N3 PolarHBondContact O-N 2.85Å; N3-M5 VanDerWaalsContact C-N 3.27Å; N3-M5 PolarHBondContact O-N 3.16Å; N3-M5 VanDerWaalsContact O-N 3.09Å
4T36.3Very low38.4Very low127 Ų127159.7 Ų159.778%0.77982%0.818SS**  trans-79.989.3168.5-14.40000105K2 I6K2-T4 VanDerWaalsContact C-N 3.29Å; K2-T4 PolarHBondContact O-N 3.36Å; K2-T4 PolarHBondContact O-OG1 3.27Å; T4-I6 VanDerWaalsContact C-N 3.34Å; T4-I6 PolarHBondContact O-N 3.33Å
5M32Very low40.7Very low174 Ų174156.6 Ų156.686%0.85781%0.81SS**  trans-60.8102.7165.4-80.8-170.1166.300106.7N3 S7N3-M5 VanDerWaalsContact C-N 3.27Å; N3-M5 PolarHBondContact O-N 3.16Å; N3-M5 VanDerWaalsContact O-N 3.09Å; M5-S7 PolarHBondContact O-N 3.02Å
6I34.7Very low43.5Very low156 Ų156150.8 Ų150.880%0.878%0.783SS**  trans-64.2105.6167.3-62.6174.5000105.2T4 S8T4-I6 VanDerWaalsContact C-N 3.34Å; T4-I6 PolarHBondContact O-N 3.33Å; I6-S8 PolarHBondContact O-N 3.48Å
7S30.5Very low46.4Very low97 Ų97144.9 Ų144.968%0.67876%0.755SS**  trans-52.9111.5171.61640000108.7M5 E9M5-S7 PolarHBondContact O-N 3.02Å; S7-E9 PolarHBondContact O-N 2.75Å; S7-E9 VanDerWaalsContact O-N 3.11Å
8S35.4Very low49.3Very low108 Ų108137.4 Ų137.476%0.75572%0.717SS**  trans-80.875.7170.150.10000108.5I6 A10I6-S8 PolarHBondContact O-N 3.48Å; S8-A10 PolarHBondContact O-N 3.45Å
9E34.5Very low51.8Low169 Ų169130.2 Ų130.279%0.7968%0.679SS**  trans-65.483.9147.8-77.7-174.3174.300106.7S7 K11S7-E9 PolarHBondContact O-N 2.75Å; S7-E9 VanDerWaalsContact O-N 3.11Å; E9-K11 PolarHBondContact O-N 3.06Å
10A42Very low54.2Low85 Ų85124.8 Ų124.870%0.70265%0.65SS**  trans-6679.617100000107.5S8 E12S8-A10 PolarHBondContact O-N 3.45Å; A10-E12 VanDerWaalsContact C-N 3.32Å; A10-E12 PolarHBondContact O-N 3.26Å
11K38.6Very low56.3Low181 Ų181118.9 Ų118.979%0.78762%0.619SS**  trans-48.9112.8145.3-78.5-178.4176.9176.30104E9 R13E9-K11 PolarHBondContact O-N 3.06Å; K11-R13 PolarHBondContact O-N 3.37Å
12E38Very low59.2Low179 Ų179108.3 Ų108.384%0.83657%0.568SS**  trans-45.797.9166.8-87178.614800105.9A10 N14A10-E12 VanDerWaalsContact C-N 3.32Å; A10-E12 PolarHBondContact O-N 3.26Å; E12-N14 PolarHBondContact O-N 3.44Å
13R47.6Very low62.1Low228 Ų228100.8 Ų100.886%0.8654%0.535SS*.  trans-65.9100.9169.7-77.9-177.5177.8177-0.1101.2K11 V15K11-R13 PolarHBondContact O-N 3.37Å; R13-V15 WeakPolarHBondContact O-CG2 3.47Å; R13-V15 PolarHBondContact O-N 3.17Å
14N59.2Low65Low144 Ų144102.5 Ų102.577%0.7753%0.531SS*.  trans-5198.7169.2-87.6-32.5000105.8E12 V16E12-N14 PolarHBondContact O-N 3.44Å; N14-V16 PolarHBondContact O-N 3.15Å
15V72Confident67.9Low113 Ų113101.1 Ų101.169%0.68552%0.515SS*.  trans-65.9108.3-176176.90000104.7R13 V17R13-V15 WeakPolarHBondContact O-CG2 3.47Å; R13-V15 PolarHBondContact O-N 3.17Å; V15-V17 HydrophobicContact CG1-CG1 4.26Å; V15-V17 PolarHBondContact O-N 3.1Å
16V85.6Confident71.1Confident63 Ų6392.9 Ų92.938%0.38248%0.475SS..  trans-71.1105.9177.9-174.30000106.6N14 A136N14-V16 PolarHBondContact O-N 3.15Å; V16-A136 HydrophobicContact CB-CB 4.46Å; V16-A136 HydrophobicContact CG1-CB 4.06Å; V16-A136 VanDerWaalsContact O-CB 3.23Å; V16-A136 WeakPolarHBondContact O-CB 3.4Å
17V93.2Very high74Confident52 Ų5287.1 Ų87.132%0.31544%0.444SS..PPolyproline II helixtrans-89.4157177.1-63.60000110.7V15 K61 C135 A136V15-V17 HydrophobicContact CG1-CG1 4.26Å; V15-V17 PolarHBondContact O-N 3.1Å; V17-K61 HydrophobicContact CG2-CB 3.88Å; V17-C135 WeakPolarHBondContact O-CA 3.46Å; V17-A136 PolarHBondContact O-N 2.56Å
18P97.6Very high77.2Confident10 Ų1084.3 Ų84.37%0.06543%0.427CS..PPolyproline II helixtrans-58.3149.2169.4-22.332.9000112M60 K61 G137 L334 L335P18-M60 HydrophobicContact CB-CE 3.69Å; P18-M60 WeakPolarHBondContact O-CA 3.41Å; P18-K61 PolarHBondContact O-N 3.28Å; P18-G137 CarbonylContact C-O 3.49Å; P18-G137 VanDerWaalsContact CA-O 3.26Å; P18-G137 WeakPolarHBondContact CA-O 3.41Å; P18-L334 HydrophobicContact CB-CB 4.07Å; P18-L334 HydrophobicContact CG-CB 4.12Å; P18-L334 WeakPolarHBondContact CG-O 3.11Å; P18-L335 HydrophobicContact CG-CD2 4.35Å
19G98.4Very high80.2Confident0 Ų079.2 Ų79.20%039%0.391CS..EExtended strand (participates in β ladder)trans-103.2156.6175.700000113.1M60 K61 G137 C138 I139G19-M60 WeakPolarHBondContact O-CE 3.4Å; G19-K61 CarbonylContact C-O 3.57Å; G19-K61 WeakPolarHBondContact CA-O 3.37Å; G19-G137 PolarHBondContact N-O 2.9Å; G19-C138 VanDerWaalsContact O-CA 3.22Å; G19-C138 WeakPolarHBondContact O-CA 3.45Å; G19-I139 PolarHBondContact O-N 3.19Å
20Y98.8Very high83.1Confident22 Ų2275.7 Ų75.79%0.08638%0.375CS..EExtended strand (participates in β ladder)trans-136.1152.9166.777.2-78.3000111.7T22 L57 M60 K61 R62 L63 I139Y20-T22 HydrophobicContact CD2-CG2 4.12Å; Y20-T22 HydrophobicContact CE2-CG2 3.91Å; Y20-L57 HydrophobicContact CD1-CD2 4.31Å; Y20-L57 HydrophobicContact CD2-CD1 4.21Å; Y20-L57 HydrophobicContact CD2-CD2 3.99Å; Y20-L57 HydrophobicContact CE1-CB 4.09Å; Y20-L57 VanDerWaalsContact CE1-O 3.27Å; Y20-L57 WeakPolarHBondContact CE1-O 3.33Å; Y20-L57 HydrophobicContact CE2-CB 4.3Å; Y20-L57 HydrophobicContact CE2-CD1 3.86Å; Y20-L57 HydrophobicContact CE2-CD2 4.28Å; Y20-L57 HydrophobicContact CE2-CG 4.38Å; Y20-L57 HydrophobicContact CG-CD2 4Å; Y20-M60 HydrophobicContact CD1-CB 3.52Å; Y20-M60 HydrophobicContact CD1-SD 4.36Å; Y20-M60 HydrophobicContact CE1-CB 4.07Å; Y20-K61 PolarHBondContact N-O 3.43Å; Y20-R62 HydrophobicContact CD1-CB 4.34Å; Y20-R62 HydrophobicContact CE1-CB 3.61Å; Y20-R62 HydrophobicContact CE1-CG 4.15Å; Y20-R62 HydrophobicContact CE2-CB 4.3Å; Y20-R62 HydrophobicContact CE2-CG 3.9Å; Y20-R62 WeakPolarHBondContact O-CA 3.28Å; Y20-L63 PolarHBondContact O-N 3.22Å; Y20-I139 CarbonylContact C-O 3.58Å; Y20-I139 VanDerWaalsContact CA-O 3.23Å; Y20-I139 WeakPolarHBondContact CA-O 3.28Å
21L98.8Very high85.7Confident0 Ų072.3 Ų72.30%035%0.345CS..EExtended strand (participates in β ladder)trans-129.9129.5176.2-58.695.6000109.8L63 I65 A122 E125 A126 I139 L141L21-L63 HydrophobicContact CD1-CB 4.31Å; L21-L63 HydrophobicContact CD1-CD1 3.98Å; L21-L63 HydrophobicContact CD2-CB 3.81Å; L21-L63 HydrophobicContact CG-CB 3.81Å; L21-L63 HydrophobicContact CG-CD1 4.41Å; L21-I65 HydrophobicContact CB-CD1 4.26Å; L21-I65 HydrophobicContact CB-CG1 4.06Å; L21-I65 HydrophobicContact CD2-CG1 3.89Å; L21-A122 HydrophobicContact CB-CB 3.95Å; L21-A122 HydrophobicContact CD2-CB 4.28Å; L21-E125 HydrophobicContact CD2-CB 3.82Å; L21-A126 HydrophobicContact CD1-CB 3.76Å; L21-I139 PolarHBondContact N-O 3.48Å; L21-L141 PolarHBondContact O-N 3.18Å
22T98.5Very high88.3Confident13 Ų1366.1 Ų66.18%0.0832%0.321CS..  trans-159.9149.2172.1-170.30000109.4Y20 V48 R62 L141Y20-T22 HydrophobicContact CD2-CG2 4.12Å; Y20-T22 HydrophobicContact CE2-CG2 3.91Å; T22-V48 HydrophobicContact CG2-CG1 4.31Å; T22-V48 HydrophobicContact CG2-CG2 4.17Å; T22-V48 WeakPolarHBondContact OG1-CG2 3.36Å; T22-R62 PolarHBondContact O-NH2 2.66Å; T22-L141 PolarHBondContact OG1-O 3.13Å
23Q96.9Very high91Very high44 Ų4460.1 Ų60.121%0.20629%0.291CS..  trans-150.4127.8-178.8-177.6166.6-12.900109.5E25 M26 I65Q23-E25 HydrophobicContact CG-CB 4.21Å; Q23-E25 VanDerWaalsContact CG-CD 3.42Å; Q23-E25 HydrophobicContact CG-CG 4.39Å; Q23-E25 WeakPolarHBondContact CG-OE2 3.33Å; Q23-E25 PolarHBondContact NE2-OE1 3.38Å; Q23-E25 PolarHBondContact O-N 3.04Å; Q23-M26 HydrophobicContact CB-CE 4.18Å; Q23-M26 WeakPolarHBondContact O-CB 3.32Å; Q23-M26 WeakPolarHBondContact O-CE 3.17Å; Q23-M26 PolarHBondContact O-N 2.78Å; Q23-M26 VanDerWaalsContact O-N 3.11Å; Q23-I65 HydrophobicContact CB-CD1 3.76Å
24R96.4Very high92.9Very high188 Ų18856.1 Ų56.171%0.70928%0.276SS*.G310 helixtrans-62.9-24.9-172.6-71.5-172.9178179.7-1.1112.4M26 E27R24-M26 PolarHBondContact O-N 3.16Å; R24-M26 VanDerWaalsContact O-N 3.15Å; R24-E27 WeakPolarHBondContact O-CB 3.45Å; R24-E27 VanDerWaalsContact O-CG 3.3Å; R24-E27 WeakPolarHBondContact O-CG 3.3Å; R24-E27 PolarHBondContact O-N 2.7Å
25E97.6Very high94.1Very high98 Ų9857.3 Ų57.346%0.45828%0.283SS..G310 helixtrans-61.3-23.1177.7-64.990.412400112.3Q23 E27 A28 C115 L118Q23-E25 HydrophobicContact CG-CB 4.21Å; Q23-E25 VanDerWaalsContact CG-CD 3.42Å; Q23-E25 HydrophobicContact CG-CG 4.39Å; Q23-E25 WeakPolarHBondContact CG-OE2 3.33Å; Q23-E25 PolarHBondContact NE2-OE1 3.38Å; Q23-E25 PolarHBondContact O-N 3.04Å; E25-E27 PolarHBondContact O-N 3Å; E25-A28 WeakPolarHBondContact O-CB 3.07Å; E25-A28 PolarHBondContact O-N 3.17Å; E25-C115 PolarHBondContact O-SG 3.47Å; E25-L118 HydrophobicContact CB-CD1 3.9Å
26M98.2Very high94.9Very high0 Ų057.4 Ų57.40%028%0.279CS..G310 helixtrans-65.5-20.7170.6-71.2-176.1-71.300112.8Q23 R24 A28 H29 L44 I65 L118 A119 L141 I142 R143Q23-M26 HydrophobicContact CB-CE 4.18Å; Q23-M26 WeakPolarHBondContact O-CB 3.32Å; Q23-M26 WeakPolarHBondContact O-CE 3.17Å; Q23-M26 PolarHBondContact O-N 2.78Å; Q23-M26 VanDerWaalsContact O-N 3.11Å; R24-M26 PolarHBondContact O-N 3.16Å; R24-M26 VanDerWaalsContact O-N 3.15Å; M26-A28 PolarHBondContact O-N 2.9Å; M26-H29 PolarHBondContact O-N 3.01Å; M26-L44 HydrophobicContact CB-CD2 3.91Å; M26-L44 HydrophobicContact CE-CD2 4.06Å; M26-I65 HydrophobicContact CE-CD1 4.24Å; M26-L118 HydrophobicContact CG-CB 3.84Å; M26-L118 HydrophobicContact CG-CD1 4.3Å; M26-L118 HydrophobicContact SD-CB 4.22Å; M26-A119 HydrophobicContact SD-CB 4.15Å; M26-L141 WeakPolarHBondContact CE-O 3.25Å; M26-I142 HydrophobicContact CE-CB 4.38Å; M26-I142 HydrophobicContact CE-CG2 4.05Å; M26-I142 HydrophobicContact SD-CB 3.89Å; M26-I142 HydrophobicContact SD-CG2 3.9Å; M26-R143 HydrophobicContact CB-CG 3.97Å; M26-R143 WeakPolarHBondContact CB-O 3.48Å; M26-R143 WeakPolarHBondContact CG-O 3.49Å; M26-R143 PolarHBondContact O-NH1 3.01Å
27E97.3Very high95.2Very high36 Ų3656.4 Ų56.417%0.16827%0.271CS..G310 helixtrans-66.8-16173.7-62.2178.3-136.800112.7R24 E25 H29 P41 L44 R45R24-E27 WeakPolarHBondContact O-CB 3.45Å; R24-E27 VanDerWaalsContact O-CG 3.3Å; R24-E27 WeakPolarHBondContact O-CG 3.3Å; R24-E27 PolarHBondContact O-N 2.7Å; E25-E27 PolarHBondContact O-N 3Å; E27-H29 VanDerWaalsContact C-N 3.26Å; E27-H29 PolarHBondContact O-N 3.46Å; E27-P41 HydrophobicContact CB-CB 4Å; E27-P41 HydrophobicContact CG-CB 4.47Å; E27-P41 WeakPolarHBondContact O-CB 3.47Å; E27-P41 WeakPolarHBondContact O-CG 3.31Å; E27-L44 HydrophobicContact CG-CD2 4.49Å; E27-R45 IonicContact OE2-CZ 3.36Å; E27-R45 IonicContact OE2-NE 3.08Å; E27-R45 PolarHBondContact OE2-NE 2.62Å; E27-R45 IonicContact OE2-NH2 3.75Å; E27-R45 PolarHBondContact OE2-NH2 3.09Å
28A97.7Very high95.3Very high37 Ų3755.5 Ų55.531%0.30627%0.265SS..G310 helixtrans-76.1-9.8-179.500000114.2E25 M26 E30 C109 K111E25-A28 WeakPolarHBondContact O-CB 3.07Å; E25-A28 PolarHBondContact O-N 3.17Å; M26-A28 PolarHBondContact O-N 2.9Å; A28-E30 PolarHBondContact O-N 3.08Å; A28-C109 PolarHBondContact O-SG 3.46Å; A28-K111 HydrophobicContact CB-CB 3.77Å; A28-K111 HydrophobicContact CB-CG 3.88Å; A28-K111 WeakPolarHBondContact O-CB 3.33Å
29H97.6Very high95.2Very high2 Ų255.1 Ų55.11%0.00926%0.262CS..  trans-75.9113.2168.317359.8000109M26 E27 E39 Y107 S112 C115 R143M26-H29 PolarHBondContact O-N 3.01Å; E27-H29 VanDerWaalsContact C-N 3.26Å; E27-H29 PolarHBondContact O-N 3.46Å; H29-E39 IonicContact CD2-OE2 2.74Å; H29-E39 IonicContact NE2-OE2 3.46Å; H29-Y107 AromaticContact CD2-CE2 3.91Å; H29-Y107 AromaticContact CD2-CZ 3.95Å; H29-Y107 AromaticContact CE1-CD2 3.7Å; H29-Y107 AromaticContact CE1-CE2 3.19Å; H29-Y107 WeakPolarHBondContact CE1-CE2 3.15Å; H29-Y107 AromaticContact CE1-CZ 3.8Å; H29-Y107 AromaticContact ND1-CE2 3.61Å; H29-Y107 AromaticContact NE2-CE2 3.4Å; H29-Y107 WeakPolarHBondContact NE2-CE2 3.39Å; H29-Y107 AromaticContact NE2-CZ 3.51Å; H29-S112 WeakPolarHBondContact ND1-CB 3.32Å; H29-S112 PolarHBondContact ND1-OG 2.92Å; H29-C115 HydrophobicContact CB-CB 3.84Å; H29-C115 PolarHBondContact N-SG 3.37Å; H29-R143 PolarHBondContact CD2-NH2 3.18Å; H29-R143 VanDerWaalsContact CD2-NH2 3.34Å; H29-R143 PolarHBondContact O-NH1 3.5Å; H29-R143 PolarHBondContact O-NH2 3.42Å
30E96.1Very high95.1Very high95 Ų9556.2 Ų56.244%0.44427%0.27SS..  trans-149.7155.4-177.766.4-174.6168.100110.8A28 L32 P41 Y107A28-E30 PolarHBondContact O-N 3.08Å; E30-L32 HydrophobicContact CG-CD2 4.17Å; E30-L32 PolarHBondContact O-N 3.44Å; E30-P41 HydrophobicContact CB-CG 4Å; E30-Y107 VanDerWaalsContact C-CD2 3.49Å; E30-Y107 WeakPolarHBondContact O-CD2 3.37Å; E30-Y107 WeakPolarHBondContact O-CE2 3.28Å
31C95.4Very high95Very high13 Ų1355.9 Ų55.99%0.08827%0.271CS..  trans-75123.4175.1-172.50000109.1W33 Y34 H37 Y107C31-W33 VanDerWaalsContact C-N 3.32Å; C31-W33 PolarHBondContact O-N 2.9Å; C31-W33 PolarHBondContact SG-NE1 2.9Å; C31-Y34 WeakPolarHBondContact CB-O 3.34Å; C31-Y34 PolarHBondContact SG-N 2.99Å; C31-Y34 VanDerWaalsContact SG-N 3.4Å; C31-H37 HydrophobicContact CB-CB 4.07Å; C31-Y107 HydrophobicContact CB-CD1 3.9Å; C31-Y107 HydrophobicContact CB-CD2 3.95Å; C31-Y107 HydrophobicContact CB-CE1 4.2Å; C31-Y107 HydrophobicContact CB-CE2 4.25Å; C31-Y107 HydrophobicContact CB-CG 3.76Å
32L94.5Very high94.9Very high52 Ų5259.2 Ų59.227%0.27229%0.289SS..SBendtrans-85-5.9-174.9-60.5178.6000113.5E30 K93 L96 C109E30-L32 HydrophobicContact CG-CD2 4.17Å; E30-L32 PolarHBondContact O-N 3.44Å; L32-K93 HydrophobicContact CB-CD 4.34Å; L32-K93 HydrophobicContact CB-CG 4.3Å; L32-K93 HydrophobicContact CD1-CG 4.21Å; L32-K93 WeakPolarHBondContact O-CE 3.32Å; L32-K93 PolarHBondContact O-NZ 2.74Å; L32-L96 HydrophobicContact CD1-CD1 4.38Å; L32-C109 HydrophobicContact CD1-CB 3.88Å; L32-C109 HydrophobicContact CD2-CB 4.01Å; L32-C109 HydrophobicContact CG-CB 3.85Å
33W92.8Very high94.9Very high53 Ų5358.7 Ų58.720%0.20129%0.285CS..SBendtrans-130.5-17.9-171.649.384.1000114.3C31 L96 E97 C100C31-W33 VanDerWaalsContact C-N 3.32Å; C31-W33 PolarHBondContact O-N 2.9Å; C31-W33 PolarHBondContact SG-NE1 2.9Å; W33-L96 HydrophobicContact CZ3-CB 4.46Å; W33-E97 HydrophobicContact CD2-CB 4.37Å; W33-E97 HydrophobicContact CD2-CG 4.05Å; W33-E97 HydrophobicContact CE3-CB 3.89Å; W33-E97 HydrophobicContact CE3-CG 4.06Å; W33-E97 HydrophobicContact CH2-CB 4.21Å; W33-E97 HydrophobicContact CZ3-CB 3.81Å; W33-E97 HydrophobicContact CZ3-CG 4.37Å; W33-C100 HydrophobicContact CH2-CB 4.05Å; W33-C100 HydrophobicContact CZ2-CB 3.88Å
34Y88.8Confident95Very high143 Ų14356.8 Ų56.856%0.56128%0.276SS*.  trans-119.1123.4168.3-58.5-58.7000109.3C31C31-Y34 WeakPolarHBondContact CB-O 3.34Å; C31-Y34 PolarHBondContact SG-N 2.99Å; C31-Y34 VanDerWaalsContact SG-N 3.4Å
35N84.9Confident95.1Very high169 Ų16953.3 Ų53.390%0.90426%0.263SS*.SBendtrans-85.4-15.7-177-68.2-28.2000113.1
36D87.1Confident95.1Very high115 Ų11550.2 Ų50.262%0.61526%0.255SS*.SBendtrans-114.320.6-172.358.1-22.7000112.4V38D36-V38 PolarHBondContact O-N 2.89Å
37H93.1Very high95.1Very high43 Ų4350.2 Ų50.220%0.19926%0.255CS..  trans-63.3131.8178.5-169.1-80.2000111.3C31 E39 S40 Y107 F157C31-H37 HydrophobicContact CB-CB 4.07Å; H37-E39 PolarHBondContact ND1-N 3.27Å; H37-E39 PolarHBondContact ND1-O 2.95Å; H37-E39 PolarHBondContact O-N 2.77Å; H37-S40 WeakPolarHBondContact O-CB 3.4Å; H37-Y107 AromaticContact CE1-CD1 3.68Å; H37-Y107 AromaticContact CE1-CE1 3.58Å; H37-Y107 AromaticContact ND1-CD1 3.89Å; H37-Y107 AromaticContact ND1-CE1 3.51Å; H37-Y107 AromaticContact NE2-CD1 3.74Å; H37-F157 AromaticContact CE1-CD1 3.57Å; H37-F157 AromaticContact CE1-CE1 3.24Å; H37-F157 WeakPolarHBondContact CE1-CE1 3.26Å; H37-F157 AromaticContact CE1-CZ 3.84Å; H37-F157 AromaticContact NE2-CD1 3.94Å; H37-F157 AromaticContact NE2-CE1 3.38Å; H37-F157 WeakPolarHBondContact NE2-CE1 2.99Å
38V94.3Very high95.2Very high33 Ų3349.3 Ų49.320%0.225%0.251CS..SBendtrans-62-39.6-175.4-68.20000113.3D36 S40 F157 P284 Y318D36-V38 PolarHBondContact O-N 2.89Å; V38-S40 PolarHBondContact O-N 2.93Å; V38-F157 HydrophobicContact CG2-CE2 4.39Å; V38-F157 HydrophobicContact CG2-CZ 4.12Å; V38-P284 HydrophobicContact CG1-CG 4.35Å; V38-Y318 HydrophobicContact CB-CD1 4.14Å; V38-Y318 HydrophobicContact CB-CG 4.14Å; V38-Y318 HydrophobicContact CG2-CD1 4.19Å; V38-Y318 HydrophobicContact CG2-CG 4.32Å
39E95.8Very high95.2Very high1 Ų155 Ų551%0.00527%0.265CS..SBendtrans-79.3106.8165.8-155.1-61.7130.100108.9H29 H37 R43 Y107 R143 F157 Y318H29-E39 IonicContact CD2-OE2 2.74Å; H29-E39 IonicContact NE2-OE2 3.46Å; H37-E39 PolarHBondContact ND1-N 3.27Å; H37-E39 PolarHBondContact ND1-O 2.95Å; H37-E39 PolarHBondContact O-N 2.77Å; E39-R43 IonicContact OE1-NH1 3.8Å; E39-R43 PolarHBondContact OE1-NH1 2.74Å; E39-Y107 HydrophobicContact CB-CE1 4.3Å; E39-Y107 WeakPolarHBondContact O-CE1 3.38Å; E39-Y107 PolarHBondContact O-OH 3Å; E39-Y107 PolarHBondContact OE2-OH 3.11Å; E39-R143 IonicContact OE1-CZ 3.66Å; E39-R143 IonicContact OE1-NE 3.18Å; E39-R143 PolarHBondContact OE1-NE 3.1Å; E39-R143 VanDerWaalsContact OE1-NE 3.08Å; E39-R143 IonicContact OE1-NH2 3.54Å; E39-R143 PolarHBondContact OE1-NH2 2.78Å; E39-R143 IonicContact OE2-CZ 3.94Å; E39-R143 IonicContact OE2-NE 2.97Å; E39-R143 IonicContact OE2-NH2 2.73Å; E39-R143 PolarHBondContact OE2-NH2 3.05Å; E39-F157 HydrophobicContact CB-CB 4.33Å; E39-F157 HydrophobicContact CB-CD1 4.29Å; E39-F157 HydrophobicContact CB-CD2 4.02Å; E39-F157 HydrophobicContact CB-CE2 4.42Å; E39-F157 HydrophobicContact CB-CG 3.95Å; E39-F157 HydrophobicContact CG-CB 4.05Å; E39-F157 HydrophobicContact CG-CD2 4.3Å; E39-F157 HydrophobicContact CG-CG 4.19Å; E39-Y318 HydrophobicContact CB-CD1 4.49Å; E39-Y318 HydrophobicContact CB-CE1 4.03Å; E39-Y318 HydrophobicContact CG-CE1 4.18Å
40S96.3Very high95.2Very high24 Ų2456.3 Ų56.317%0.16827%0.271CS..  trans-142.3163.2-173.971.90000112.8H37 V38 D42 R43 R143H37-S40 WeakPolarHBondContact O-CB 3.4Å; V38-S40 PolarHBondContact O-N 2.93Å; S40-D42 PolarHBondContact O-N 2.96Å; S40-R43 WeakPolarHBondContact O-CB 3.15Å; S40-R43 PolarHBondContact O-N 2.95Å; S40-R143 PolarHBondContact O-NE 2.78Å
41P97.4Very high95.3Very high15 Ų1551.8 Ų51.810%0.09725%0.25CC..Hα-helixtrans-55.4-29.3173.6-27.737.1000114.3E27 E30 R43 L44 R45E27-P41 HydrophobicContact CB-CB 4Å; E27-P41 HydrophobicContact CG-CB 4.47Å; E27-P41 WeakPolarHBondContact O-CB 3.47Å; E27-P41 WeakPolarHBondContact O-CG 3.31Å; E30-P41 HydrophobicContact CB-CG 4Å; P41-R43 PolarHBondContact O-N 2.72Å; P41-L44 PolarHBondContact O-N 3Å; P41-R45 PolarHBondContact O-N 3.37Å; P41-R45 VanDerWaalsContact O-N 3.12Å
42D97.2Very high95.4Very high70 Ų7055.7 Ų55.737%0.37427%0.267SS..Hα-helixtrans-64.5-27.7-177.4-68.8-19.3000112.5S40 L44 R45 A46 L320S40-D42 PolarHBondContact O-N 2.96Å; D42-L44 VanDerWaalsContact C-N 3.34Å; D42-L44 PolarHBondContact O-N 3.17Å; D42-R45 PolarHBondContact O-N 2.88Å; D42-R45 IonicContact OD1-CZ 3.49Å; D42-R45 IonicContact OD1-NH1 3.64Å; D42-R45 PolarHBondContact OD1-NH1 3.1Å; D42-R45 IonicContact OD1-NH2 3.2Å; D42-A46 WeakPolarHBondContact O-CB 3.39Å; D42-A46 PolarHBondContact O-N 2.83Å; D42-L320 HydrophobicContact CB-CD1 3.96Å; D42-L320 HydrophobicContact CB-CD2 4.3Å
43R97.8Very high95.5Very high2 Ų258.2 Ų58.21%0.00828%0.277CS..Hα-helixtrans-54.2-51173.4-64.5177.665.8-130.7-3.2111.4E39 S40 P41 T47 E315 G316 G317 L320 L323E39-R43 IonicContact OE1-NH1 3.8Å; E39-R43 PolarHBondContact OE1-NH1 2.74Å; S40-R43 WeakPolarHBondContact O-CB 3.15Å; S40-R43 PolarHBondContact O-N 2.95Å; P41-R43 PolarHBondContact O-N 2.72Å; R43-T47 VanDerWaalsContact O-CB 3.24Å; R43-T47 WeakPolarHBondContact O-CB 3.48Å; R43-T47 PolarHBondContact O-N 3.19Å; R43-T47 PolarHBondContact O-OG1 3.08Å; R43-E315 PolarHBondContact NH1-O 3.22Å; R43-E315 PolarHBondContact NH2-O 3.46Å; R43-G316 PolarHBondContact NH2-O 3.05Å; R43-G316 VanDerWaalsContact NH2-O 3.17Å; R43-G317 PolarHBondContact NE-O 3.22Å; R43-G317 PolarHBondContact NH2-O 2.86Å; R43-L320 HydrophobicContact CB-CD2 4.32Å; R43-L320 HydrophobicContact CG-CD2 3.93Å; R43-L323 HydrophobicContact CB-CD2 3.92Å; R43-L323 HydrophobicContact CG-CD2 4.38Å
44L98.4Very high95.6Very high3 Ų357 Ų572%0.01627%0.274CS..Hα-helixtrans-72.9-45.5179.5-177.663.3000111.1M26 E27 P41 D42 V48 L141 R143M26-L44 HydrophobicContact CB-CD2 3.91Å; M26-L44 HydrophobicContact CE-CD2 4.06Å; E27-L44 HydrophobicContact CG-CD2 4.49Å; P41-L44 PolarHBondContact O-N 3Å; D42-L44 VanDerWaalsContact C-N 3.34Å; D42-L44 PolarHBondContact O-N 3.17Å; L44-V48 HydrophobicContact CD1-CG2 3.77Å; L44-V48 HydrophobicContact CG-CG2 4.21Å; L44-V48 WeakPolarHBondContact O-CB 3.4Å; L44-V48 VanDerWaalsContact O-CG2 3.26Å; L44-V48 WeakPolarHBondContact O-CG2 3.39Å; L44-V48 PolarHBondContact O-N 3.17Å; L44-L141 VanDerWaalsContact CD1-C 3.5Å; L44-L141 HydrophobicContact CD1-CB 3.84Å; L44-L141 VanDerWaalsContact CD1-O 3.23Å; L44-L141 WeakPolarHBondContact CD1-O 3.41Å; L44-R143 HydrophobicContact CB-CG 4.16Å; L44-R143 HydrophobicContact CD2-CG 4.04Å
45R98.1Very high95.9Very high116 Ų11651.3 Ų51.344%0.43826%0.26SS..Hα-helixtrans-61.5-50.4-175.5-169.7-170.2-57.6133.513.5112.1E27 P41 D42 R49E27-R45 IonicContact OE2-CZ 3.36Å; E27-R45 IonicContact OE2-NE 3.08Å; E27-R45 PolarHBondContact OE2-NE 2.62Å; E27-R45 IonicContact OE2-NH2 3.75Å; E27-R45 PolarHBondContact OE2-NH2 3.09Å; P41-R45 PolarHBondContact O-N 3.37Å; P41-R45 VanDerWaalsContact O-N 3.12Å; D42-R45 PolarHBondContact O-N 2.88Å; D42-R45 IonicContact OD1-CZ 3.49Å; D42-R45 IonicContact OD1-NH1 3.64Å; D42-R45 PolarHBondContact OD1-NH1 3.1Å; D42-R45 IonicContact OD1-NH2 3.2Å; R45-R49 VanDerWaalsContact O-CB 3.24Å; R45-R49 WeakPolarHBondContact O-CB 3.41Å; R45-R49 PolarHBondContact O-N 3.22Å
46A98.3Very high96.5Very high33 Ų3343.4 Ų43.427%0.27322%0.217SC..Hα-helixtrans-64.6-44.6-178.500000111.2D42 R49 H50D42-A46 WeakPolarHBondContact O-CB 3.39Å; D42-A46 PolarHBondContact O-N 2.83Å; A46-R49 PolarHBondContact O-N 2.85Å; A46-H50 VanDerWaalsContact O-CB 3.27Å; A46-H50 WeakPolarHBondContact O-CB 3.14Å; A46-H50 PolarHBondContact O-N 3.03Å
47T98.6Very high97Very high0 Ų038.1 Ų38.10%019%0.189CC..Hα-helixtrans-65.1-45.4179.5-66.10000113.1R43 H50 C51 L323 S324 V327R43-T47 VanDerWaalsContact O-CB 3.24Å; R43-T47 WeakPolarHBondContact O-CB 3.48Å; R43-T47 PolarHBondContact O-N 3.19Å; R43-T47 PolarHBondContact O-OG1 3.08Å; T47-H50 PolarHBondContact O-N 3.33Å; T47-C51 PolarHBondContact O-N 2.94Å; T47-C51 PolarHBondContact O-SG 3.29Å; T47-L323 WeakPolarHBondContact OG1-CD2 3.19Å; T47-L323 WeakPolarHBondContact OG1-CG 3.4Å; T47-S324 WeakPolarHBondContact CA-OG 3.42Å; T47-S324 PolarHBondContact N-OG 2.89Å; T47-S324 PolarHBondContact OG1-OG 2.96Å; T47-S324 VanDerWaalsContact OG1-OG 3.12Å; T47-V327 HydrophobicContact CG2-CB 3.68Å; T47-V327 HydrophobicContact CG2-CG1 3.62Å; T47-V327 HydrophobicContact CG2-CG2 3.79Å
48V98.6Very high97.1Very high17 Ų1741 Ų4110%0.10321%0.214CC..Hα-helixtrans-61.6-49.7176.4170.70000109.9T22 L44 H50 C51 E52 L57 L141T22-V48 HydrophobicContact CG2-CG1 4.31Å; T22-V48 HydrophobicContact CG2-CG2 4.17Å; T22-V48 WeakPolarHBondContact OG1-CG2 3.36Å; L44-V48 HydrophobicContact CD1-CG2 3.77Å; L44-V48 HydrophobicContact CG-CG2 4.21Å; L44-V48 WeakPolarHBondContact O-CB 3.4Å; L44-V48 VanDerWaalsContact O-CG2 3.26Å; L44-V48 WeakPolarHBondContact O-CG2 3.39Å; L44-V48 PolarHBondContact O-N 3.17Å; V48-H50 VanDerWaalsContact C-N 3.34Å; V48-H50 PolarHBondContact O-N 3.14Å; V48-C51 PolarHBondContact O-N 3.15Å; V48-E52 HydrophobicContact CG1-CG 4.32Å; V48-E52 WeakPolarHBondContact O-CG 3.2Å; V48-E52 PolarHBondContact O-N 3.21Å; V48-L57 HydrophobicContact CG1-CD1 4.14Å; V48-L141 HydrophobicContact CG2-CB 4.37Å; V48-L141 HydrophobicContact CG2-CD1 3.97Å
49R98.5Very high97.2Very high155 Ų15544.7 Ų44.759%0.58522%0.224SC*.Hα-helixtrans-56.8-46.9178.6178.9179.5172.8-175-4.5111.9R45 A46 C51 E52 E53R45-R49 VanDerWaalsContact O-CB 3.24Å; R45-R49 WeakPolarHBondContact O-CB 3.41Å; R45-R49 PolarHBondContact O-N 3.22Å; A46-R49 PolarHBondContact O-N 2.85Å; R49-C51 VanDerWaalsContact C-N 3.35Å; R49-C51 PolarHBondContact O-N 3.42Å; R49-E52 WeakPolarHBondContact O-CB 3.42Å; R49-E52 PolarHBondContact O-N 2.87Å; R49-E53 HydrophobicContact CG-CG 4.36Å; R49-E53 IonicContact CZ-OE1 2.75Å; R49-E53 IonicContact NE-OE1 2.73Å; R49-E53 PolarHBondContact NE-OE1 3.39Å; R49-E53 IonicContact NH2-OE1 3.03Å; R49-E53 PolarHBondContact NH2-OE1 3.3Å; R49-E53 VanDerWaalsContact NH2-OE1 3.08Å; R49-E53 WeakPolarHBondContact O-CB 3.37Å; R49-E53 WeakPolarHBondContact O-CG 3.25Å; R49-E53 PolarHBondContact O-N 3.33Å
50H98.2Very high97.3Very high30 Ų3045.3 Ų45.314%0.13923%0.227CC..Hα-helixtrans-58.6-45.7177.817880.4000111.6A46 T47 V48 E52 E53 L54 S324 W325A46-H50 VanDerWaalsContact O-CB 3.27Å; A46-H50 WeakPolarHBondContact O-CB 3.14Å; A46-H50 PolarHBondContact O-N 3.03Å; T47-H50 PolarHBondContact O-N 3.33Å; V48-H50 VanDerWaalsContact C-N 3.34Å; V48-H50 PolarHBondContact O-N 3.14Å; H50-E52 VanDerWaalsContact C-N 3.34Å; H50-E52 PolarHBondContact O-N 3.39Å; H50-E53 PolarHBondContact O-N 3.03Å; H50-L54 WeakPolarHBondContact NE2-CD1 3.41Å; H50-L54 WeakPolarHBondContact O-CG 3.42Å; H50-L54 PolarHBondContact O-N 2.83Å; H50-S324 PolarHBondContact CD2-O 3.11Å; H50-S324 VanDerWaalsContact CD2-O 3.29Å; H50-W325 AromaticContact CE1-CD2 3.87Å; H50-W325 AromaticContact CE1-CE2 3.57Å; H50-W325 AromaticContact CE1-CZ2 3.77Å; H50-W325 AromaticContact CE1-NE1 3.87Å; H50-W325 AromaticContact NE2-CD2 3.71Å; H50-W325 AromaticContact NE2-CE2 3.91Å; H50-W325 AromaticContact NE2-CE3 3.9Å
51C98.2Very high97.3Very high0 Ų048.5 Ų48.50%024%0.238CC..Hα-helixtrans-68.4-31.2178.4-63.20000113.2T47 V48 R49 G55 L56 L57 I331T47-C51 PolarHBondContact O-N 2.94Å; T47-C51 PolarHBondContact O-SG 3.29Å; V48-C51 PolarHBondContact O-N 3.15Å; R49-C51 VanDerWaalsContact C-N 3.35Å; R49-C51 PolarHBondContact O-N 3.42Å; C51-G55 PolarHBondContact O-N 2.96Å; C51-L56 PolarHBondContact O-N 2.88Å; C51-L57 HydrophobicContact CB-CD1 4.13Å; C51-L57 HydrophobicContact CB-CD2 4.07Å; C51-L57 HydrophobicContact CB-CG 3.77Å; C51-I331 HydrophobicContact CB-CD1 4.09Å
52E97.5Very high97.4Very high96 Ų9655.1 Ų55.145%0.44926%0.261SS..Hα-helixtrans-66.8-48.1170.9-70.1178.8151.200111.3V48 R49 H50 L54 G55 L57V48-E52 HydrophobicContact CG1-CG 4.32Å; V48-E52 WeakPolarHBondContact O-CG 3.2Å; V48-E52 PolarHBondContact O-N 3.21Å; R49-E52 WeakPolarHBondContact O-CB 3.42Å; R49-E52 PolarHBondContact O-N 2.87Å; H50-E52 VanDerWaalsContact C-N 3.34Å; H50-E52 PolarHBondContact O-N 3.39Å; E52-L54 VanDerWaalsContact C-N 3.26Å; E52-L54 PolarHBondContact O-N 2.81Å; E52-G55 WeakPolarHBondContact O-CA 3.07Å; E52-G55 PolarHBondContact O-N 3.33Å; E52-L57 HydrophobicContact CG-CB 4.44Å; E52-L57 HydrophobicContact CG-CD1 3.77Å; E52-L57 HydrophobicContact CG-CG 4.42Å
53E96.3Very high97.4Very high104 Ų10453.1 Ų53.149%0.48625%0.25SS..Hα-helixtrans-62.6-32.9178.6-73.8173.9173.900112R49 H50 G55 R435R49-E53 HydrophobicContact CG-CG 4.36Å; R49-E53 IonicContact CZ-OE1 2.75Å; R49-E53 IonicContact NE-OE1 2.73Å; R49-E53 PolarHBondContact NE-OE1 3.39Å; R49-E53 IonicContact NH2-OE1 3.03Å; R49-E53 PolarHBondContact NH2-OE1 3.3Å; R49-E53 VanDerWaalsContact NH2-OE1 3.08Å; R49-E53 WeakPolarHBondContact O-CB 3.37Å; R49-E53 WeakPolarHBondContact O-CG 3.25Å; R49-E53 PolarHBondContact O-N 3.33Å; H50-E53 PolarHBondContact O-N 3.03Å; E53-G55 PolarHBondContact O-N 2.98Å; E53-R435 PolarHBondContact O-NH2 3.17Å
54L95.1Very high97.5Very high27 Ų2761.5 Ų61.514%0.14129%0.287CS..THydrogen-bonded Turntrans-74.2-7.1171.7-70-172.6000114.2H50 E52 L56 W325 T431H50-L54 WeakPolarHBondContact NE2-CD1 3.41Å; H50-L54 WeakPolarHBondContact O-CG 3.42Å; H50-L54 PolarHBondContact O-N 2.83Å; E52-L54 VanDerWaalsContact C-N 3.26Å; E52-L54 PolarHBondContact O-N 2.81Å; L54-L56 HydrophobicContact CB-CD1 4.07Å; L54-L56 HydrophobicContact CB-CG 3.88Å; L54-L56 HydrophobicContact CD1-CD1 4.09Å; L54-L56 PolarHBondContact O-N 3.41Å; L54-W325 HydrophobicContact CD1-CZ3 4.27Å; L54-T431 HydrophobicContact CD2-CG2 3.72Å
55G95.1Very high97.5Very high25 Ų2561.8 Ų61.826%0.25829%0.288SS..THydrogen-bonded Turntrans69.420.2-177.900000113.6C51 E52 E53 S58 R59C51-G55 PolarHBondContact O-N 2.96Å; E52-G55 WeakPolarHBondContact O-CA 3.07Å; E52-G55 PolarHBondContact O-N 3.33Å; E53-G55 PolarHBondContact O-N 2.98Å; G55-S58 PolarHBondContact O-OG 3.02Å; G55-R59 WeakPolarHBondContact O-CD 3.38Å; G55-R59 WeakPolarHBondContact O-CG 3.23Å
56L96.4Very high97.5Very high2 Ų260 Ų601%0.0129%0.29CS..  trans-79.9-46.3-178.6-63.4176000111.1C51 L54 S58 R59 I331 R332 L335C51-L56 PolarHBondContact O-N 2.88Å; L54-L56 HydrophobicContact CB-CD1 4.07Å; L54-L56 HydrophobicContact CB-CG 3.88Å; L54-L56 HydrophobicContact CD1-CD1 4.09Å; L54-L56 PolarHBondContact O-N 3.41Å; L56-S58 VanDerWaalsContact C-N 3.28Å; L56-S58 PolarHBondContact O-N 2.94Å; L56-R59 WeakPolarHBondContact O-CB 3.39Å; L56-R59 PolarHBondContact O-N 3.2Å; L56-R59 VanDerWaalsContact O-N 3.1Å; L56-I331 HydrophobicContact CB-CG2 3.72Å; L56-I331 HydrophobicContact CD1-CB 4.35Å; L56-I331 HydrophobicContact CD1-CG2 4.17Å; L56-I331 HydrophobicContact CG-CG2 4.37Å; L56-R332 HydrophobicContact CD1-CG 4.33Å; L56-R332 HydrophobicContact CD2-CG 3.91Å; L56-L335 HydrophobicContact CB-CD1 4.37Å; L56-L335 HydrophobicContact CD2-CD1 3.96Å
57L97.3Very high97.5Very high4 Ų461.1 Ų61.12%0.02129%0.294CS..G310 helixtrans-67.7-26.9-177.1-61.6-168.8000113.2Y20 V48 C51 E52 R59 M60 L141 I331Y20-L57 HydrophobicContact CD1-CD2 4.31Å; Y20-L57 HydrophobicContact CD2-CD1 4.21Å; Y20-L57 HydrophobicContact CD2-CD2 3.99Å; Y20-L57 HydrophobicContact CE1-CB 4.09Å; Y20-L57 VanDerWaalsContact CE1-O 3.27Å; Y20-L57 WeakPolarHBondContact CE1-O 3.33Å; Y20-L57 HydrophobicContact CE2-CB 4.3Å; Y20-L57 HydrophobicContact CE2-CD1 3.86Å; Y20-L57 HydrophobicContact CE2-CD2 4.28Å; Y20-L57 HydrophobicContact CE2-CG 4.38Å; Y20-L57 HydrophobicContact CG-CD2 4Å; V48-L57 HydrophobicContact CG1-CD1 4.14Å; C51-L57 HydrophobicContact CB-CD1 4.13Å; C51-L57 HydrophobicContact CB-CD2 4.07Å; C51-L57 HydrophobicContact CB-CG 3.77Å; E52-L57 HydrophobicContact CG-CB 4.44Å; E52-L57 HydrophobicContact CG-CD1 3.77Å; E52-L57 HydrophobicContact CG-CG 4.42Å; L57-R59 PolarHBondContact O-N 2.83Å; L57-M60 HydrophobicContact CD2-SD 4.08Å; L57-M60 PolarHBondContact O-N 2.81Å; L57-L141 HydrophobicContact CD2-CD1 4.44Å; L57-I331 HydrophobicContact CD2-CD1 3.83Å
58S96.1Very high97.5Very high103 Ų10361.3 Ų61.372%0.7230%0.296SS*.G310 helixtrans-68.8-19.1175.158.60000113.1G55 L56G55-S58 PolarHBondContact O-OG 3.02Å; L56-S58 VanDerWaalsContact C-N 3.28Å; L56-S58 PolarHBondContact O-N 2.94Å
59R95.6Very high97.5Very high112 Ų11262.8 Ų62.842%0.42331%0.307SS..G310 helixtrans-93.4-2.2176.9-61.9169.857.3-154.8-7.3113G55 L56 L57 L335 D337G55-R59 WeakPolarHBondContact O-CD 3.38Å; G55-R59 WeakPolarHBondContact O-CG 3.23Å; L56-R59 WeakPolarHBondContact O-CB 3.39Å; L56-R59 PolarHBondContact O-N 3.2Å; L56-R59 VanDerWaalsContact O-N 3.1Å; L57-R59 PolarHBondContact O-N 2.83Å; R59-L335 HydrophobicContact CB-CD1 4.32Å; R59-L335 HydrophobicContact CB-CD2 3.92Å; R59-D337 IonicContact CZ-OD1 4Å; R59-D337 IonicContact CZ-OD2 3.3Å; R59-D337 IonicContact NH1-OD1 3.64Å; R59-D337 PolarHBondContact NH1-OD1 3.17Å; R59-D337 IonicContact NH1-OD2 2.99Å; R59-D337 PolarHBondContact NH1-OD2 3.36Å; R59-D337 IonicContact NH2-OD1 2.81Å; R59-D337 PolarHBondContact NH2-OD1 3.46Å; R59-D337 IonicContact NH2-OD2 3.95Å
60M97.8Very high97.5Very high13 Ų1358.8 Ų58.86%0.06430%0.295CS..SBendtrans-110.6156.1178.6-60.8-179.590.300110.8P18 G19 Y20 L57 R62 I139 I331 L334 L335P18-M60 HydrophobicContact CB-CE 3.69Å; P18-M60 WeakPolarHBondContact O-CA 3.41Å; G19-M60 WeakPolarHBondContact O-CE 3.4Å; Y20-M60 HydrophobicContact CD1-CB 3.52Å; Y20-M60 HydrophobicContact CD1-SD 4.36Å; Y20-M60 HydrophobicContact CE1-CB 4.07Å; L57-M60 HydrophobicContact CD2-SD 4.08Å; L57-M60 PolarHBondContact O-N 2.81Å; M60-R62 PolarHBondContact O-N 3.37Å; M60-I139 HydrophobicContact CE-CG2 3.89Å; M60-I331 HydrophobicContact CE-CG2 4.3Å; M60-I331 HydrophobicContact CG-CG2 4.43Å; M60-I331 HydrophobicContact SD-CB 4.41Å; M60-I331 HydrophobicContact SD-CG1 4.19Å; M60-I331 HydrophobicContact SD-CG2 3.46Å; M60-I331 WeakPolarHBondContact SD-CG2 3.36Å; M60-L334 HydrophobicContact CE-CD1 4.17Å; M60-L335 HydrophobicContact CG-CD1 4.45Å; M60-L335 HydrophobicContact CG-CD2 3.81Å; M60-L335 HydrophobicContact CG-CG 4.25Å
61K97.6Very high97.5Very high91 Ų9163.8 Ų63.840%0.39632%0.318SS..EExtended strand (participates in β ladder)trans-81.3112.3173.9-177.2175.7179.1178.60110.5V17 P18 G19 Y20 L63V17-K61 HydrophobicContact CG2-CB 3.88Å; P18-K61 PolarHBondContact O-N 3.28Å; G19-K61 CarbonylContact C-O 3.57Å; G19-K61 WeakPolarHBondContact CA-O 3.37Å; Y20-K61 PolarHBondContact N-O 3.43Å; K61-L63 HydrophobicContact CD-CD2 3.97Å; K61-L63 HydrophobicContact CG-CD2 3.97Å; K61-L63 PolarHBondContact O-N 2.96Å
62R98.3Very high97.5Very high155 Ų15564.9 Ų64.959%0.58533%0.325SS*.EExtended strand (participates in β ladder)trans-68120.5170.3-166.8176.2-177.7-1791.7109.9Y20 T22 M60Y20-R62 HydrophobicContact CD1-CB 4.34Å; Y20-R62 HydrophobicContact CE1-CB 3.61Å; Y20-R62 HydrophobicContact CE1-CG 4.15Å; Y20-R62 HydrophobicContact CE2-CB 4.3Å; Y20-R62 HydrophobicContact CE2-CG 3.9Å; Y20-R62 WeakPolarHBondContact O-CA 3.28Å; T22-R62 PolarHBondContact O-NH2 2.66Å; M60-R62 PolarHBondContact O-N 3.37Å
63L98.4Very high97.6Very high27 Ų2760.3 Ų60.314%0.14130%0.303CS..PPolyproline II helixtrans-98.8151.1175.2-53.8170.2000110.9Y20 L21 K61 A129Y20-L63 PolarHBondContact O-N 3.22Å; L21-L63 HydrophobicContact CD1-CB 4.31Å; L21-L63 HydrophobicContact CD1-CD1 3.98Å; L21-L63 HydrophobicContact CD2-CB 3.81Å; L21-L63 HydrophobicContact CG-CB 3.81Å; L21-L63 HydrophobicContact CG-CD1 4.41Å; K61-L63 HydrophobicContact CD-CD2 3.97Å; K61-L63 HydrophobicContact CG-CD2 3.97Å; K61-L63 PolarHBondContact O-N 2.96Å; L63-A129 HydrophobicContact CD1-CB 3.47Å; L63-A129 VanDerWaalsContact CD1-CB 3.47Å
64K98.1Very high97.7Very high178 Ų17857.7 Ų57.777%0.77430%0.295SS*.PPolyproline II helixtrans-80.3135.9176.3-175.7177179.2179.70109.6
65I98.6Very high97.8Very high10 Ų1058.6 Ų58.65%0.05130%0.3CS..PPolyproline II helixtrans-86.2134.8173.9-61.6172000109.2L21 Q23 M26 L118 A122L21-I65 HydrophobicContact CB-CD1 4.26Å; L21-I65 HydrophobicContact CB-CG1 4.06Å; L21-I65 HydrophobicContact CD2-CG1 3.89Å; Q23-I65 HydrophobicContact CB-CD1 3.76Å; M26-I65 HydrophobicContact CE-CD1 4.24Å; I65-L118 HydrophobicContact CG2-CB 4.49Å; I65-L118 HydrophobicContact CG2-CD2 3.83Å; I65-L118 WeakPolarHBondContact CG2-O 3.34Å; I65-A122 HydrophobicContact CD1-CB 3.79Å; I65-A122 HydrophobicContact CG1-CB 3.87Å; I65-A122 HydrophobicContact CG2-CB 4.37Å
66V98.5Very high98Very high79 Ų7958 Ų5848%0.47929%0.29SS..  trans-107.7114165.3-179.60000107.3C68 G121 E125V66-C68 PolarHBondContact O-N 2.81Å; V66-G121 WeakPolarHBondContact O-CA 3.24Å; V66-E125 HydrophobicContact CB-CG 4.23Å; V66-E125 HydrophobicContact CG2-CG 4.32Å
67P98.5Very high98.1Very high55 Ų5558 Ų5836%0.35729%0.29SS..PPolyproline II helixtrans-56.6131.2178.5-16.923.4000110.8S69 R117 L118P67-S69 PolarHBondContact O-N 2.97Å; P67-R117 HydrophobicContact CB-CB 4.11Å; P67-L118 HydrophobicContact CB-CD2 4.27Å; P67-L118 HydrophobicContact CG-CD2 3.72Å; P67-L118 HydrophobicContact CG-CG 4.47Å
68C98.4Very high98.2Very high5 Ų559 Ų593%0.03430%0.297CS..PPolyproline II helixtrans-56.8135.9-179.3-82.50000111.6V66 V72 L73 R117 C120 G121V66-C68 PolarHBondContact O-N 2.81Å; C68-V72 HydrophobicContact CB-CB 4.39Å; C68-V72 HydrophobicContact CB-CG1 4.26Å; C68-L73 HydrophobicContact CB-CD2 3.85Å; C68-L73 HydrophobicContact CB-CG 3.9Å; C68-R117 PolarHBondContact N-O 3.29Å; C68-R117 PolarHBondContact O-NE 2.79Å; C68-R117 PolarHBondContact O-NH2 2.83Å; C68-C120 HydrophobicContact CB-CB 4.2Å; C68-C120 VanDerWaalsContact SG-C 3.56Å; C68-G121 VanDerWaalsContact SG-CA 3.54Å; C68-G121 PolarHBondContact SG-N 2.7Å; C68-G121 VanDerWaalsContact SG-N 3.37Å
69S98.4Very high98.3Very high47 Ų4755.8 Ų55.833%0.32928%0.277SS..PPolyproline II helixtrans-75.3165.3169.465.80000110.7P67 E71 V72 L73P67-S69 PolarHBondContact O-N 2.97Å; S69-E71 PolarHBondContact O-N 3.42Å; S69-V72 PolarHBondContact O-N 2.8Å; S69-V72 WeakPolarHBondContact OG-CG2 3.45Å; S69-V72 PolarHBondContact OG-N 3.19Å; S69-L73 WeakPolarHBondContact O-CG 3.42Å; S69-L73 PolarHBondContact O-N 3.46Å
70E98.2Very high98.4Very high72 Ų7258.8 Ų58.834%0.33629%0.293SS..Hα-helixtrans-56.1-40.7171.5179.8169.8169.800110.9V72 L73 T74 V82 R83E70-V72 PolarHBondContact O-N 2.77Å; E70-L73 PolarHBondContact O-N 3.27Å; E70-T74 HydrophobicContact CG-CG2 4.16Å; E70-T74 WeakPolarHBondContact O-CB 3.42Å; E70-T74 VanDerWaalsContact O-CG2 3.22Å; E70-T74 WeakPolarHBondContact O-CG2 3.39Å; E70-T74 PolarHBondContact O-N 2.84Å; E70-T74 PolarHBondContact O-OG1 3.41Å; E70-T74 VanDerWaalsContact O-OG1 3.13Å; E70-V82 HydrophobicContact CB-CG1 4.36Å; E70-V82 HydrophobicContact CG-CB 4.46Å; E70-V82 HydrophobicContact CG-CG1 3.88Å; E70-R83 VanDerWaalsContact OE1-CG 3.28Å; E70-R83 WeakPolarHBondContact OE1-CG 3.4Å; E70-R83 IonicContact OE1-CZ 3.55Å; E70-R83 IonicContact OE1-NH1 3.73Å; E70-R83 PolarHBondContact OE1-NH1 2.94Å
71E98.5Very high98.4Very high134 Ų13458.4 Ų58.463%0.62629%0.291SS*.Hα-helixtrans-56.3-47.6177.1-174.1-174.7172.200112.2S69 T74S69-E71 PolarHBondContact O-N 3.42Å; E71-T74 WeakPolarHBondContact CA-OG1 3.46Å; E71-T74 PolarHBondContact O-N 3.37Å; E71-T74 PolarHBondContact O-OG1 3.13Å
72V98.8Very high98.5Very high23 Ų2354.1 Ų54.114%0.13927%0.272CS..Hα-helixtrans-66.9-44.2179.1174.50000111.2C68 S69 E70 T74 L75 V124 V165 Y169C68-V72 HydrophobicContact CB-CB 4.39Å; C68-V72 HydrophobicContact CB-CG1 4.26Å; S69-V72 PolarHBondContact O-N 2.8Å; S69-V72 WeakPolarHBondContact OG-CG2 3.45Å; S69-V72 PolarHBondContact OG-N 3.19Å; E70-V72 PolarHBondContact O-N 2.77Å; V72-T74 PolarHBondContact O-N 3.17Å; V72-L75 VanDerWaalsContact O-CB 3.31Å; V72-L75 WeakPolarHBondContact O-CB 3.2Å; V72-L75 VanDerWaalsContact O-CG 3.31Å; V72-L75 WeakPolarHBondContact O-CG 3.49Å; V72-L75 PolarHBondContact O-N 3.44Å; V72-L75 VanDerWaalsContact O-N 3.11Å; V72-V124 HydrophobicContact CG1-CG2 4.22Å; V72-V165 HydrophobicContact CG1-CG1 3.81Å; V72-Y169 HydrophobicContact CG1-CD2 3.96Å; V72-Y169 HydrophobicContact CG2-CD2 4.11Å; V72-Y169 HydrophobicContact CG2-CE2 4.07Å
73L98.8Very high98.5Very high0 Ų051.9 Ų51.90%026%0.264CS..Hα-helixtrans-59.8-33.6176.2-68.6173.7000112.1C68 S69 E70 L75 F76 H77 V82 Y113 R117 C120 F160 V165C68-L73 HydrophobicContact CB-CD2 3.85Å; C68-L73 HydrophobicContact CB-CG 3.9Å; S69-L73 WeakPolarHBondContact O-CG 3.42Å; S69-L73 PolarHBondContact O-N 3.46Å; E70-L73 PolarHBondContact O-N 3.27Å; L73-L75 PolarHBondContact O-N 3.04Å; L73-F76 PolarHBondContact O-N 2.94Å; L73-H77 PolarHBondContact O-N 3.24Å; L73-V82 HydrophobicContact CB-CG1 4.17Å; L73-V82 HydrophobicContact CB-CG2 3.83Å; L73-V82 HydrophobicContact CD1-CG1 3.71Å; L73-Y113 HydrophobicContact CD1-CE2 4.32Å; L73-R117 HydrophobicContact CD1-CG 4.12Å; L73-C120 HydrophobicContact CD2-CB 4.1Å; L73-F160 HydrophobicContact CD1-CD2 4.07Å; L73-F160 HydrophobicContact CD1-CE1 4.43Å; L73-F160 HydrophobicContact CD1-CE2 3.6Å; L73-F160 HydrophobicContact CD1-CZ 3.82Å; L73-F160 HydrophobicContact CD2-CB 4.26Å; L73-F160 HydrophobicContact CD2-CD1 4.4Å; L73-F160 HydrophobicContact CD2-CD2 3.7Å; L73-F160 HydrophobicContact CD2-CE2 4.13Å; L73-F160 HydrophobicContact CD2-CG 3.88Å; L73-V165 HydrophobicContact CD2-CG2 4.49Å
74T98.6Very high98.5Very high50 Ų5054.3 Ų54.331%0.30727%0.273SS..THydrogen-bonded Turntrans-75.2-4.4179.757.60000115.2E70 E71 V72 F76 H77 A79 V82E70-T74 HydrophobicContact CG-CG2 4.16Å; E70-T74 WeakPolarHBondContact O-CB 3.42Å; E70-T74 VanDerWaalsContact O-CG2 3.22Å; E70-T74 WeakPolarHBondContact O-CG2 3.39Å; E70-T74 PolarHBondContact O-N 2.84Å; E70-T74 PolarHBondContact O-OG1 3.41Å; E70-T74 VanDerWaalsContact O-OG1 3.13Å; E71-T74 WeakPolarHBondContact CA-OG1 3.46Å; E71-T74 PolarHBondContact O-N 3.37Å; E71-T74 PolarHBondContact O-OG1 3.13Å; V72-T74 PolarHBondContact O-N 3.17Å; T74-F76 PolarHBondContact O-N 3.46Å; T74-H77 VanDerWaalsContact CA-O 3.29Å; T74-H77 WeakPolarHBondContact CA-O 3.33Å; T74-A79 HydrophobicContact CG2-CB 3.7Å; T74-V82 HydrophobicContact CG2-CG2 4.12Å
75L98.6Very high98.5Very high46 Ų4645.8 Ų45.824%0.24124%0.236CC..THydrogen-bonded Turntrans-64.2-29.3169.4-62.4178.4000111.8V72 L73 Y169 K172V72-L75 VanDerWaalsContact O-CB 3.31Å; V72-L75 WeakPolarHBondContact O-CB 3.2Å; V72-L75 VanDerWaalsContact O-CG 3.31Å; V72-L75 WeakPolarHBondContact O-CG 3.49Å; V72-L75 PolarHBondContact O-N 3.44Å; V72-L75 VanDerWaalsContact O-N 3.11Å; L73-L75 PolarHBondContact O-N 3.04Å; L75-Y169 HydrophobicContact CD1-CD2 3.92Å; L75-Y169 HydrophobicContact CD1-CG 4.36Å; L75-K172 HydrophobicContact CD2-CD 3.48Å; L75-K172 VanDerWaalsContact CD2-CD 3.48Å
76F98.7Very high98.5Very high12 Ų1246.5 Ų46.55%0.05324%0.243CC..THydrogen-bonded Turntrans-112.4-51.2177.4-173.5-84000111.9L73 T74 N161 G164 V165 G191 A195 F196L73-F76 PolarHBondContact O-N 2.94Å; T74-F76 PolarHBondContact O-N 3.46Å; F76-N161 HydrophobicContact CD1-CB 3.9Å; F76-N161 HydrophobicContact CE1-CB 3.45Å; F76-N161 VanDerWaalsContact CE1-CB 3.45Å; F76-N161 HydrophobicContact CE2-CB 4.22Å; F76-N161 HydrophobicContact CG-CB 4.45Å; F76-N161 HydrophobicContact CZ-CB 3.62Å; F76-G164 VanDerWaalsContact CD2-C 3.42Å; F76-V165 HydrophobicContact CB-CG2 3.68Å; F76-V165 HydrophobicContact CG-CG2 4.41Å; F76-G191 WeakPolarHBondContact CZ-O 3.45Å; F76-A195 HydrophobicContact CD2-CB 3.89Å; F76-A195 HydrophobicContact CE1-CB 4.49Å; F76-A195 HydrophobicContact CE2-CB 3.13Å; F76-A195 HydrophobicContact CZ-CB 3.51Å; F76-F196 HydrophobicContact CD2-CZ 4.28Å; F76-F196 HydrophobicContact CE2-CE2 4.27Å; F76-F196 HydrophobicContact CE2-CZ 4.29Å
77H98.7Very high98.4Very high2 Ų250.7 Ų50.71%0.00925%0.251CS..SBendtrans-88157.7-174.5-62.4-76.6000112.7L73 T74 Y81 V82 M150 K151 F160 N161L73-H77 PolarHBondContact O-N 3.24Å; T74-H77 VanDerWaalsContact CA-O 3.29Å; T74-H77 WeakPolarHBondContact CA-O 3.33Å; H77-Y81 HydrophobicContact CB-CD1 3.94Å; H77-Y81 AromaticContact CG-CD1 3.98Å; H77-Y81 AromaticContact ND1-CD1 3.78Å; H77-Y81 AromaticContact ND1-CE1 3.68Å; H77-V82 HydrophobicContact CB-CG2 3.83Å; H77-M150 PolarHBondContact CE1-O 3.15Å; H77-M150 PolarHBondContact ND1-O 2.95Å; H77-K151 WeakPolarHBondContact CA-O 3.29Å; H77-F160 AromaticContact CD2-CD1 3.7Å; H77-F160 WeakPolarHBondContact NE2-CA 3.46Å; H77-F160 AromaticContact NE2-CD1 3.76Å; H77-N161 PolarHBondContact CE1-N 3.23Å; H77-N161 PolarHBondContact NE2-N 3.47Å
78S98.5Very high98.4Very high25 Ų2548.1 Ų48.118%0.17523%0.234CC..  trans-69.9141.3169.373.80000111.4K80 Y81 V82 K151S78-K80 PolarHBondContact O-N 2.89Å; S78-Y81 WeakPolarHBondContact O-CA 3.31Å; S78-Y81 WeakPolarHBondContact O-CB 3.32Å; S78-Y81 PolarHBondContact O-N 3.46Å; S78-Y81 VanDerWaalsContact OG-CB 3.25Å; S78-Y81 WeakPolarHBondContact OG-CB 3.33Å; S78-Y81 PolarHBondContact OG-N 3.38Å; S78-V82 PolarHBondContact O-N 2.99Å; S78-K151 PolarHBondContact N-O 2.98Å
79A98.4Very high98.3Very high36 Ų3651.1 Ų51.130%0.29825%0.247SC..Hα-helixtrans-58.5-33.617700000112.9T74 Y81 V82 R83T74-A79 HydrophobicContact CG2-CB 3.7Å; A79-Y81 VanDerWaalsContact C-N 3.32Å; A79-Y81 PolarHBondContact O-N 3.01Å; A79-V82 PolarHBondContact O-N 3.3Å; A79-R83 VanDerWaalsContact CB-NH1 3.33Å; A79-R83 WeakPolarHBondContact O-CG 3.4Å; A79-R83 PolarHBondContact O-N 2.84Å; A79-R83 PolarHBondContact O-NH1 3.18Å
80K98.5Very high98.3Very high175 Ų17557.7 Ų57.776%0.76127%0.27SS*.Hα-helixtrans-60.2-41.7173-176.1-179.5178.8-178.90111.8S78 K84S78-K80 PolarHBondContact O-N 2.89Å; K80-K84 WeakPolarHBondContact O-CB 3.3Å; K80-K84 PolarHBondContact O-N 3.31Å; K80-K84 VanDerWaalsContact O-N 3.07Å
81Y98.4Very high98.2Very high5 Ų556.7 Ų56.72%0.0227%0.266CS..Hα-helixtrans-70.4-46.2178.2174.2-105.4000111.8H77 S78 A79 R83 K84 I85 R152 A154 L159 F160H77-Y81 HydrophobicContact CB-CD1 3.94Å; H77-Y81 AromaticContact CG-CD1 3.98Å; H77-Y81 AromaticContact ND1-CD1 3.78Å; H77-Y81 AromaticContact ND1-CE1 3.68Å; S78-Y81 WeakPolarHBondContact O-CA 3.31Å; S78-Y81 WeakPolarHBondContact O-CB 3.32Å; S78-Y81 PolarHBondContact O-N 3.46Å; S78-Y81 VanDerWaalsContact OG-CB 3.25Å; S78-Y81 WeakPolarHBondContact OG-CB 3.33Å; S78-Y81 PolarHBondContact OG-N 3.38Å; A79-Y81 VanDerWaalsContact C-N 3.32Å; A79-Y81 PolarHBondContact O-N 3.01Å; Y81-R83 VanDerWaalsContact C-N 3.3Å; Y81-R83 PolarHBondContact O-N 2.8Å; Y81-K84 WeakPolarHBondContact O-CA 3.4Å; Y81-K84 VanDerWaalsContact O-CB 3.26Å; Y81-K84 WeakPolarHBondContact O-CB 3.38Å; Y81-K84 PolarHBondContact O-N 3.13Å; Y81-I85 HydrophobicContact CD2-CG1 4.36Å; Y81-I85 HydrophobicContact CE1-CG1 4.06Å; Y81-I85 HydrophobicContact CE2-CD1 3.77Å; Y81-I85 HydrophobicContact CE2-CG1 3.81Å; Y81-I85 PolarHBondContact O-N 2.77Å; Y81-R152 WeakPolarHBondContact CD2-O 3.44Å; Y81-A154 VanDerWaalsContact OH-CA 3.27Å; Y81-A154 WeakPolarHBondContact OH-CA 3.25Å; Y81-A154 VanDerWaalsContact OH-CB 3.28Å; Y81-A154 WeakPolarHBondContact OH-CB 3.31Å; Y81-A154 PolarHBondContact OH-N 2.86Å; Y81-A154 VanDerWaalsContact OH-N 3.09Å; Y81-L159 WeakPolarHBondContact CE1-O 3.22Å; Y81-L159 PolarHBondContact OH-O 2.88Å; Y81-F160 HydrophobicContact CD1-CE1 4.2Å; Y81-F160 AromaticContact CE1-CD1 3.89Å; Y81-F160 HydrophobicContact CE1-CD1 3.89Å; Y81-F160 AromaticContact CE1-CE1 3.8Å; Y81-F160 HydrophobicContact CE1-CE1 3.8Å
82V98.7Very high98.1Very high0 Ų055.8 Ų55.80%026%0.262CS..Hα-helixtrans-55.6-46.5177178.30000111E70 L73 T74 H77 S78 A79 K84 I85 A86 Y113 F160E70-V82 HydrophobicContact CB-CG1 4.36Å; E70-V82 HydrophobicContact CG-CB 4.46Å; E70-V82 HydrophobicContact CG-CG1 3.88Å; L73-V82 HydrophobicContact CB-CG1 4.17Å; L73-V82 HydrophobicContact CB-CG2 3.83Å; L73-V82 HydrophobicContact CD1-CG1 3.71Å; T74-V82 HydrophobicContact CG2-CG2 4.12Å; H77-V82 HydrophobicContact CB-CG2 3.83Å; S78-V82 PolarHBondContact O-N 2.99Å; A79-V82 PolarHBondContact O-N 3.3Å; V82-K84 VanDerWaalsContact C-N 3.32Å; V82-K84 PolarHBondContact O-N 2.93Å; V82-I85 PolarHBondContact O-N 2.94Å; V82-A86 WeakPolarHBondContact O-CB 3.48Å; V82-A86 PolarHBondContact O-N 3.44Å; V82-Y113 HydrophobicContact CG1-CE2 4.4Å; V82-F160 HydrophobicContact CG1-CZ 4.3Å; V82-F160 HydrophobicContact CG2-CE1 4.17Å
83R98.5Very high98Very high108 Ų10859.2 Ų59.241%0.40828%0.275SS..Hα-helixtrans-67.4-27.8175.4-68.7-170.9-65.3-88.96.8114E70 A79 Y81 R87E70-R83 VanDerWaalsContact OE1-CG 3.28Å; E70-R83 WeakPolarHBondContact OE1-CG 3.4Å; E70-R83 IonicContact OE1-CZ 3.55Å; E70-R83 IonicContact OE1-NH1 3.73Å; E70-R83 PolarHBondContact OE1-NH1 2.94Å; A79-R83 VanDerWaalsContact CB-NH1 3.33Å; A79-R83 WeakPolarHBondContact O-CG 3.4Å; A79-R83 PolarHBondContact O-N 2.84Å; A79-R83 PolarHBondContact O-NH1 3.18Å; Y81-R83 VanDerWaalsContact C-N 3.3Å; Y81-R83 PolarHBondContact O-N 2.8Å; R83-R87 WeakPolarHBondContact O-CD 3.45Å; R83-R87 VanDerWaalsContact O-CG 3.23Å; R83-R87 WeakPolarHBondContact O-CG 3.36Å; R83-R87 PolarHBondContact O-N 3.16Å
84K97.7Very high97.9Very high78 Ų7865 Ų6534%0.33931%0.306SS..Hα-helixtrans-64.5-48173.3-176.3-170.8179.3-168.50109.8K80 Y81 V82 R87 Y103K80-K84 WeakPolarHBondContact O-CB 3.3Å; K80-K84 PolarHBondContact O-N 3.31Å; K80-K84 VanDerWaalsContact O-N 3.07Å; Y81-K84 WeakPolarHBondContact O-CA 3.4Å; Y81-K84 VanDerWaalsContact O-CB 3.26Å; Y81-K84 WeakPolarHBondContact O-CB 3.38Å; Y81-K84 PolarHBondContact O-N 3.13Å; V82-K84 VanDerWaalsContact C-N 3.32Å; V82-K84 PolarHBondContact O-N 2.93Å; K84-R87 PolarHBondContact O-N 3.44Å; K84-Y103 WeakPolarHBondContact CE-OH 3.4Å; K84-Y103 PolarHBondContact NZ-OH 3.3Å
85I98.1Very high97.8Very high0 Ų069.5 Ų69.50%032%0.321CS..Hα-helixtrans-67.5-41.4177.2-55.1-55.5000110.7Y81 V82 R87 T88 Y113 F160Y81-I85 HydrophobicContact CD2-CG1 4.36Å; Y81-I85 HydrophobicContact CE1-CG1 4.06Å; Y81-I85 HydrophobicContact CE2-CD1 3.77Å; Y81-I85 HydrophobicContact CE2-CG1 3.81Å; Y81-I85 PolarHBondContact O-N 2.77Å; V82-I85 PolarHBondContact O-N 2.94Å; I85-R87 PolarHBondContact O-N 3.01Å; I85-R87 VanDerWaalsContact O-N 3.13Å; I85-T88 WeakPolarHBondContact O-CB 3.39Å; I85-T88 VanDerWaalsContact O-CG2 3.29Å; I85-T88 WeakPolarHBondContact O-CG2 3.45Å; I85-T88 PolarHBondContact O-N 3.08Å; I85-T88 PolarHBondContact O-OG1 3.35Å; I85-Y113 HydrophobicContact CB-CD2 4.36Å; I85-Y113 HydrophobicContact CG2-CD2 3.87Å; I85-F160 HydrophobicContact CB-CE1 4.32Å; I85-F160 HydrophobicContact CB-CZ 3.96Å; I85-F160 HydrophobicContact CG1-CE1 4.22Å; I85-F160 HydrophobicContact CG1-CZ 4.36Å; I85-F160 HydrophobicContact CG2-CE2 4.48Å; I85-F160 HydrophobicContact CG2-CZ 4.01Å
86A98.3Very high97.8Very high24 Ų2467.4 Ų67.420%0.19831%0.31CS..Hα-helixtrans-57.3-32.117700000113.8V82 T88 Y113V82-A86 WeakPolarHBondContact O-CB 3.48Å; V82-A86 PolarHBondContact O-N 3.44Å; A86-T88 PolarHBondContact O-N 3.44Å; A86-Y113 HydrophobicContact CB-CD1 4.05Å; A86-Y113 HydrophobicContact CB-CD2 4.21Å; A86-Y113 HydrophobicContact CB-CE1 3.61Å; A86-Y113 HydrophobicContact CB-CE2 3.82Å; A86-Y113 HydrophobicContact CB-CG 4.31Å; A86-Y113 VanDerWaalsContact CB-CZ 3.48Å
87R97.9Very high97.7Very high168 Ų16870.1 Ų70.163%0.63432%0.323SS*.G310 helixtrans-69.3-16.9178.4-72.8164.6-175.6-175.3-0.9113.5R83 K84 I85 E89 K90 M91R83-R87 WeakPolarHBondContact O-CD 3.45Å; R83-R87 VanDerWaalsContact O-CG 3.23Å; R83-R87 WeakPolarHBondContact O-CG 3.36Å; R83-R87 PolarHBondContact O-N 3.16Å; K84-R87 PolarHBondContact O-N 3.44Å; I85-R87 PolarHBondContact O-N 3.01Å; I85-R87 VanDerWaalsContact O-N 3.13Å; R87-E89 PolarHBondContact O-N 2.81Å; R87-K90 PolarHBondContact O-N 3.33Å; R87-M91 HydrophobicContact CB-CE 4.23Å
88T97.4Very high97.5Very high0 Ų076.6 Ų76.60%035%0.351CS..G310 helixtrans-67.7-25.9-178.568.80000112I85 A86 K90 M91 L96 L99 L108I85-T88 WeakPolarHBondContact O-CB 3.39Å; I85-T88 VanDerWaalsContact O-CG2 3.29Å; I85-T88 WeakPolarHBondContact O-CG2 3.45Å; I85-T88 PolarHBondContact O-N 3.08Å; I85-T88 PolarHBondContact O-OG1 3.35Å; A86-T88 PolarHBondContact O-N 3.44Å; T88-K90 PolarHBondContact O-N 3.25Å; T88-M91 HydrophobicContact CG2-SD 4.41Å; T88-M91 PolarHBondContact O-N 2.9Å; T88-L96 HydrophobicContact CG2-CD2 4.28Å; T88-L99 HydrophobicContact CG2-CD2 3.86Å; T88-L108 HydrophobicContact CG2-CD1 4.02Å
89E97.3Very high97.4Very high68 Ų6876.4 Ų76.432%0.31835%0.348SS..G310 helixtrans-55.4-28.6177.1-64-172.7127.600113.5R87 R110 Y113R87-E89 PolarHBondContact O-N 2.81Å; E89-R110 WeakPolarHBondContact CA-O 3.3Å; E89-R110 WeakPolarHBondContact O-CG 3.42Å; E89-Y113 VanDerWaalsContact CD-CD1 3.44Å; E89-Y113 HydrophobicContact CG-CD1 3.98Å; E89-Y113 HydrophobicContact CG-CG 4.32Å; E89-Y113 WeakPolarHBondContact OE1-CD1 3.45Å
90K97.4Very high97.3Very high185 Ų18575.1 Ų75.180%0.80434%0.336SS*.G310 helixtrans-104.43.7-176.9-58.4-176.9-178.5-177.80113.3R87 T88R87-K90 PolarHBondContact O-N 3.33Å; T88-K90 PolarHBondContact O-N 3.25Å
91M97.5Very high97.1Very high52 Ų5273.7 Ų73.726%0.25633%0.333SS..  trans-83.3146.8-178.5-69-175.3-176.100111.4R87 T88 K95 L96 L99 R110R87-M91 HydrophobicContact CB-CE 4.23Å; T88-M91 HydrophobicContact CG2-SD 4.41Å; T88-M91 PolarHBondContact O-N 2.9Å; M91-K95 HydrophobicContact CB-CB 4.35Å; M91-L96 HydrophobicContact CB-CD1 4.45Å; M91-L96 HydrophobicContact CB-CD2 3.73Å; M91-L96 HydrophobicContact CB-CG 3.71Å; M91-L96 HydrophobicContact CG-CD2 4.46Å; M91-L96 HydrophobicContact SD-CD2 4.21Å; M91-L99 HydrophobicContact CE-CD2 4.35Å; M91-L99 HydrophobicContact SD-CD2 4.04Å; M91-R110 PolarHBondContact O-NE 3.46Å; M91-R110 PolarHBondContact O-NH2 3.3Å; M91-R110 VanDerWaalsContact O-NH2 3.16Å
92E96.4Very high96.9Very high114 Ų11480.6 Ų80.653%0.53336%0.363SS..  trans-73.7154.1168-65-55.514100110.8N94 K95 L96 R110E92-N94 PolarHBondContact O-N 3.13Å; E92-K95 WeakPolarHBondContact O-CA 3.22Å; E92-K95 WeakPolarHBondContact O-CB 3.48Å; E92-K95 PolarHBondContact O-N 2.89Å; E92-L96 PolarHBondContact O-N 3.23Å; E92-R110 IonicContact OE1-CZ 2.81Å; E92-R110 IonicContact OE1-NH2 3.39Å; E92-R110 PolarHBondContact OE1-NH2 3.07Å; E92-R110 IonicContact OE2-NH2 3.33Å; E92-R110 PolarHBondContact OE2-NH2 3.16Å
93K96Very high96.8Very high96 Ų9681.6 Ų81.642%0.41737%0.367SS..Hα-helixtrans-46.6-53.9-177.5-177.3-178.3176.1176.10112.8L32 K95 L96 E97L32-K93 HydrophobicContact CB-CD 4.34Å; L32-K93 HydrophobicContact CB-CG 4.3Å; L32-K93 HydrophobicContact CD1-CG 4.21Å; L32-K93 WeakPolarHBondContact O-CE 3.32Å; L32-K93 PolarHBondContact O-NZ 2.74Å; K93-K95 PolarHBondContact O-N 3.25Å; K93-L96 WeakPolarHBondContact O-CA 3.32Å; K93-L96 WeakPolarHBondContact O-CB 3.38Å; K93-L96 PolarHBondContact O-N 3.28Å; K93-E97 PolarHBondContact O-N 3.46Å
94N96.3Very high96.5Very high122 Ų12279.7 Ų79.765%0.65236%0.364SS*.Hα-helixtrans-63.3-27.7-177.7-56.46.2000113E92 K98E92-N94 PolarHBondContact O-N 3.13Å; N94-K98 WeakPolarHBondContact O-CB 3.48Å; N94-K98 PolarHBondContact O-N 3.28Å
95K97Very high96.2Very high144 Ų14478.8 Ų78.863%0.62637%0.368SS*.Hα-helixtrans-77.9-33175.5-68.2-178.4-179.9173.40111.7M91 E92 K93 L99M91-K95 HydrophobicContact CB-CB 4.35Å; E92-K95 WeakPolarHBondContact O-CA 3.22Å; E92-K95 WeakPolarHBondContact O-CB 3.48Å; E92-K95 PolarHBondContact O-N 2.89Å; K93-K95 PolarHBondContact O-N 3.25Å; K95-L99 WeakPolarHBondContact O-CB 3.29Å; K95-L99 PolarHBondContact O-N 3.39Å; K95-L99 VanDerWaalsContact O-N 3.14Å
96L97.6Very high96.1Very high1 Ų179.4 Ų79.41%0.00537%0.372CS..Hα-helixtrans-66.7-49.4173.6-70.9167000110.5L32 W33 T88 M91 E92 K93 K98 L99 C100 L108 R110L32-L96 HydrophobicContact CD1-CD1 4.38Å; W33-L96 HydrophobicContact CZ3-CB 4.46Å; T88-L96 HydrophobicContact CG2-CD2 4.28Å; M91-L96 HydrophobicContact CB-CD1 4.45Å; M91-L96 HydrophobicContact CB-CD2 3.73Å; M91-L96 HydrophobicContact CB-CG 3.71Å; M91-L96 HydrophobicContact CG-CD2 4.46Å; M91-L96 HydrophobicContact SD-CD2 4.21Å; E92-L96 PolarHBondContact O-N 3.23Å; K93-L96 WeakPolarHBondContact O-CA 3.32Å; K93-L96 WeakPolarHBondContact O-CB 3.38Å; K93-L96 PolarHBondContact O-N 3.28Å; L96-K98 PolarHBondContact O-N 3.34Å; L96-L99 WeakPolarHBondContact O-CA 3.31Å; L96-L99 WeakPolarHBondContact O-CB 3.31Å; L96-L99 PolarHBondContact O-N 3.35Å; L96-C100 PolarHBondContact O-N 2.68Å; L96-C100 PolarHBondContact O-SG 3.28Å; L96-C100 VanDerWaalsContact O-SG 3.36Å; L96-L108 HydrophobicContact CD2-CB 4.06Å; L96-R110 HydrophobicContact CD1-CG 4.35Å
97E96.1Very high95.9Very high69 Ų6978.5 Ų78.532%0.32236%0.363SS..Hα-helixtrans-56-51.4177.5-172.6173.1-157.900111.5W33 K93 L99 C100 E101W33-E97 HydrophobicContact CD2-CB 4.37Å; W33-E97 HydrophobicContact CD2-CG 4.05Å; W33-E97 HydrophobicContact CE3-CB 3.89Å; W33-E97 HydrophobicContact CE3-CG 4.06Å; W33-E97 HydrophobicContact CH2-CB 4.21Å; W33-E97 HydrophobicContact CZ3-CB 3.81Å; W33-E97 HydrophobicContact CZ3-CG 4.37Å; K93-E97 PolarHBondContact O-N 3.46Å; E97-L99 PolarHBondContact O-N 3.11Å; E97-L99 VanDerWaalsContact O-N 3.17Å; E97-C100 WeakPolarHBondContact O-CA 3.44Å; E97-C100 VanDerWaalsContact O-CB 3.3Å; E97-C100 WeakPolarHBondContact O-CB 3.5Å; E97-C100 PolarHBondContact O-N 2.62Å; E97-E101 PolarHBondContact O-N 3.4Å; E97-E101 VanDerWaalsContact O-N 3.12Å
98K96.3Very high95.9Very high138 Ų13870.5 Ų70.560%0.633%0.333SS*.Hα-helixtrans-61.8-25.6174.9-173.7169.3-173.2167.90114.3N94 L96N94-K98 WeakPolarHBondContact O-CB 3.48Å; N94-K98 PolarHBondContact O-N 3.28Å; L96-K98 PolarHBondContact O-N 3.34Å
99L96.1Very high95.9Very high21 Ų2170.7 Ų70.711%0.1133%0.334CS..Hα-helixtrans-76.8-38.4173.9175.862.1000110.8T88 M91 K95 L96 E97 K102 Y103 L108T88-L99 HydrophobicContact CG2-CD2 3.86Å; M91-L99 HydrophobicContact CE-CD2 4.35Å; M91-L99 HydrophobicContact SD-CD2 4.04Å; K95-L99 WeakPolarHBondContact O-CB 3.29Å; K95-L99 PolarHBondContact O-N 3.39Å; K95-L99 VanDerWaalsContact O-N 3.14Å; L96-L99 WeakPolarHBondContact O-CA 3.31Å; L96-L99 WeakPolarHBondContact O-CB 3.31Å; L96-L99 PolarHBondContact O-N 3.35Å; E97-L99 PolarHBondContact O-N 3.11Å; E97-L99 VanDerWaalsContact O-N 3.17Å; L99-K102 HydrophobicContact CD1-CD 4.48Å; L99-K102 WeakPolarHBondContact O-CB 3.49Å; L99-K102 PolarHBondContact O-N 3.31Å; L99-Y103 HydrophobicContact CD1-CE2 4.17Å; L99-Y103 HydrophobicContact CG-CE2 4.15Å; L99-Y103 WeakPolarHBondContact O-CD2 3.49Å; L99-L108 HydrophobicContact CD2-CD1 3.99Å; L99-L108 HydrophobicContact CG-CD1 4.33Å
100C95.9Very high95.9Very high9 Ų972.8 Ų72.86%0.06134%0.339CS..Hα-helixtrans-62.5-37.4177.5-75.70000112.9W33 L96 E97 K102 Y103 V106 Y107 L108W33-C100 HydrophobicContact CH2-CB 4.05Å; W33-C100 HydrophobicContact CZ2-CB 3.88Å; L96-C100 PolarHBondContact O-N 2.68Å; L96-C100 PolarHBondContact O-SG 3.28Å; L96-C100 VanDerWaalsContact O-SG 3.36Å; E97-C100 WeakPolarHBondContact O-CA 3.44Å; E97-C100 VanDerWaalsContact O-CB 3.3Å; E97-C100 WeakPolarHBondContact O-CB 3.5Å; E97-C100 PolarHBondContact O-N 2.62Å; C100-K102 PolarHBondContact O-N 3.35Å; C100-Y103 PolarHBondContact O-N 3.04Å; C100-V106 WeakPolarHBondContact CB-O 3.46Å; C100-V106 PolarHBondContact SG-O 3.24Å; C100-Y107 VanDerWaalsContact SG-C 3.58Å; C100-Y107 VanDerWaalsContact SG-CA 3.56Å; C100-L108 PolarHBondContact SG-N 2.74Å
101E94Very high95.9Very high146 Ų14668.7 Ų68.768%0.68232%0.322SS*.THydrogen-bonded Turntrans-53.7-18.1173.2-69170.7-177.500114.5E97E97-E101 PolarHBondContact O-N 3.4Å; E97-E101 VanDerWaalsContact O-N 3.12Å
102K95Very high96Very high150 Ų15066.2 Ų66.265%0.65231%0.31SS*.THydrogen-bonded Turntrans-89.6-6179.7-57.3-176.8-179.3-1770113.7L99 C100L99-K102 HydrophobicContact CD1-CD 4.48Å; L99-K102 WeakPolarHBondContact O-CB 3.49Å; L99-K102 PolarHBondContact O-N 3.31Å; C100-K102 PolarHBondContact O-N 3.35Å
103Y95.3Very high96.1Very high20 Ų2061.5 Ų61.58%0.07829%0.287CS..SBendtrans-116.4151.3-179.7-62.9-69.5000108.9K84 L99 C100 S105 V106 E153 A154K84-Y103 WeakPolarHBondContact CE-OH 3.4Å; K84-Y103 PolarHBondContact NZ-OH 3.3Å; L99-Y103 HydrophobicContact CD1-CE2 4.17Å; L99-Y103 HydrophobicContact CG-CE2 4.15Å; L99-Y103 WeakPolarHBondContact O-CD2 3.49Å; C100-Y103 PolarHBondContact O-N 3.04Å; Y103-S105 PolarHBondContact O-N 2.87Å; Y103-V106 HydrophobicContact CG-CB 4.47Å; Y103-E153 HydrophobicContact CD1-CG 4.1Å; Y103-E153 HydrophobicContact CE1-CG 4.18Å; Y103-A154 HydrophobicContact CD1-CB 4.01Å; Y103-A154 WeakPolarHBondContact CD1-O 3.36Å; Y103-A154 HydrophobicContact CE1-CB 3.99Å; Y103-A154 HydrophobicContact CG-CB 4.3Å
104D92.6Very high96.2Very high68 Ų6860.4 Ų60.436%0.36428%0.283SS..THydrogen-bonded Turntrans-79.4115.6172.6-174-6.9000109.4V106 N155 G156 W216D104-V106 PolarHBondContact O-N 3.13Å; D104-N155 PolarHBondContact O-OD1 3.41Å; D104-G156 PolarHBondContact O-N 2.95Å; D104-W216 PolarHBondContact OD2-NE1 2.8Å
105S91.2Very high96.3Very high60 Ų6054.7 Ų54.742%0.4225%0.253SS..THydrogen-bonded Turntrans54.550.7172.6-540000113.7Y103 F157Y103-S105 PolarHBondContact O-N 2.87Å; S105-F157 WeakPolarHBondContact O-CA 3.39Å; S105-F157 WeakPolarHBondContact O-CD1 3.36Å; S105-F157 WeakPolarHBondContact O-CE1 3.4Å; S105-F157 PolarHBondContact O-N 3.37Å
106V95.6Very high96.4Very high12 Ų1247.9 Ų47.97%0.07322%0.223CC..  trans-129.3127.9176.9175.70000110.7C100 Y103 D104 L108 A154 L159C100-V106 WeakPolarHBondContact CB-O 3.46Å; C100-V106 PolarHBondContact SG-O 3.24Å; Y103-V106 HydrophobicContact CG-CB 4.47Å; D104-V106 PolarHBondContact O-N 3.13Å; V106-L108 HydrophobicContact CG1-CG 4.37Å; V106-A154 HydrophobicContact CG1-CB 4.11Å; V106-A154 HydrophobicContact CG2-CB 4Å; V106-L159 HydrophobicContact CG1-CD2 3.62Å
107Y96Very high96.4Very high5 Ų551.2 Ų51.22%0.0224%0.236CC..  trans-107.5157166.871.7-102.6000111.6H29 E30 C31 H37 E39 C100 R143H29-Y107 AromaticContact CD2-CE2 3.91Å; H29-Y107 AromaticContact CD2-CZ 3.95Å; H29-Y107 AromaticContact CE1-CD2 3.7Å; H29-Y107 AromaticContact CE1-CE2 3.19Å; H29-Y107 WeakPolarHBondContact CE1-CE2 3.15Å; H29-Y107 AromaticContact CE1-CZ 3.8Å; H29-Y107 AromaticContact ND1-CE2 3.61Å; H29-Y107 AromaticContact NE2-CE2 3.4Å; H29-Y107 WeakPolarHBondContact NE2-CE2 3.39Å; H29-Y107 AromaticContact NE2-CZ 3.51Å; E30-Y107 VanDerWaalsContact C-CD2 3.49Å; E30-Y107 WeakPolarHBondContact O-CD2 3.37Å; E30-Y107 WeakPolarHBondContact O-CE2 3.28Å; C31-Y107 HydrophobicContact CB-CD1 3.9Å; C31-Y107 HydrophobicContact CB-CD2 3.95Å; C31-Y107 HydrophobicContact CB-CE1 4.2Å; C31-Y107 HydrophobicContact CB-CE2 4.25Å; C31-Y107 HydrophobicContact CB-CG 3.76Å; H37-Y107 AromaticContact CE1-CD1 3.68Å; H37-Y107 AromaticContact CE1-CE1 3.58Å; H37-Y107 AromaticContact ND1-CD1 3.89Å; H37-Y107 AromaticContact ND1-CE1 3.51Å; H37-Y107 AromaticContact NE2-CD1 3.74Å; E39-Y107 HydrophobicContact CB-CE1 4.3Å; E39-Y107 WeakPolarHBondContact O-CE1 3.38Å; E39-Y107 PolarHBondContact O-OH 3Å; E39-Y107 PolarHBondContact OE2-OH 3.11Å; C100-Y107 VanDerWaalsContact SG-C 3.58Å; C100-Y107 VanDerWaalsContact SG-CA 3.56Å; Y107-R143 PolarHBondContact OH-NH2 3.04Å
108L96.9Very high96.6Very high0 Ų048.2 Ų48.20%022%0.222CC..  trans-140.9137-179-69165.7000110.5T88 L96 L99 C100 V106 L159T88-L108 HydrophobicContact CG2-CD1 4.02Å; L96-L108 HydrophobicContact CD2-CB 4.06Å; L99-L108 HydrophobicContact CD2-CD1 3.99Å; L99-L108 HydrophobicContact CG-CD1 4.33Å; C100-L108 PolarHBondContact SG-N 2.74Å; V106-L108 HydrophobicContact CG1-CG 4.37Å; L108-L159 HydrophobicContact CD2-CD1 3.7Å; L108-L159 HydrophobicContact CD2-CD2 3.63Å; L108-L159 HydrophobicContact CD2-CG 4.36Å
109C96.9Very high96.7Very high4 Ų441.6 Ų41.63%0.02719%0.193CC..  trans-123.5171.5167.277.40000110.2A28 L32 K111 S112A28-C109 PolarHBondContact O-SG 3.46Å; L32-C109 HydrophobicContact CD1-CB 3.88Å; L32-C109 HydrophobicContact CD2-CB 4.01Å; L32-C109 HydrophobicContact CG-CB 3.85Å; C109-K111 PolarHBondContact O-N 2.96Å; C109-K111 VanDerWaalsContact O-N 3.09Å; C109-K111 PolarHBondContact SG-N 2.95Å; C109-K111 VanDerWaalsContact SG-N 3.4Å; C109-S112 PolarHBondContact N-OG 3.37Å; C109-S112 VanDerWaalsContact O-CB 3.28Å; C109-S112 WeakPolarHBondContact O-CB 3.42Å; C109-S112 PolarHBondContact O-N 3.5Å; C109-S112 PolarHBondContact O-OG 2.86Å; C109-S112 PolarHBondContact SG-OG 3.27Å
110R97.7Very high96.8Very high112 Ų11240.6 Ų40.642%0.42319%0.188SC..THydrogen-bonded Turntrans-60.7-21.4178.9-70.1-174.8173169.4-4.5114.3E89 M91 E92 L96E89-R110 WeakPolarHBondContact CA-O 3.3Å; E89-R110 WeakPolarHBondContact O-CG 3.42Å; M91-R110 PolarHBondContact O-NE 3.46Å; M91-R110 PolarHBondContact O-NH2 3.3Å; M91-R110 VanDerWaalsContact O-NH2 3.16Å; E92-R110 IonicContact OE1-CZ 2.81Å; E92-R110 IonicContact OE1-NH2 3.39Å; E92-R110 PolarHBondContact OE1-NH2 3.07Å; E92-R110 IonicContact OE2-NH2 3.33Å; E92-R110 PolarHBondContact OE2-NH2 3.16Å; L96-R110 HydrophobicContact CD1-CG 4.35Å
111K98.1Very high97Very high100 Ų10040.2 Ų40.244%0.43519%0.186SC..THydrogen-bonded Turntrans-92.1-7.3178.3-67.8-61.1-162.1174.80113.9A28 C109 Y113 E114 C115A28-K111 HydrophobicContact CB-CB 3.77Å; A28-K111 HydrophobicContact CB-CG 3.88Å; A28-K111 WeakPolarHBondContact O-CB 3.33Å; C109-K111 PolarHBondContact O-N 2.96Å; C109-K111 VanDerWaalsContact O-N 3.09Å; C109-K111 PolarHBondContact SG-N 2.95Å; C109-K111 VanDerWaalsContact SG-N 3.4Å; K111-Y113 PolarHBondContact O-N 3.27Å; K111-E114 VanDerWaalsContact CD-OE2 3.32Å; K111-E114 WeakPolarHBondContact CD-OE2 3.21Å; K111-E114 IonicContact NZ-OE2 3.08Å; K111-E114 PolarHBondContact NZ-OE2 2.81Å; K111-E114 PolarHBondContact O-N 3.19Å; K111-C115 PolarHBondContact O-N 3.28Å; K111-C115 PolarHBondContact O-SG 3.22Å
112S98.4Very high97.2Very high0 Ų033.3 Ų33.30%015%0.153CC..Hα-helixtrans-62.4-38.9-172.3-60.90000113.6H29 C109 A116H29-S112 WeakPolarHBondContact ND1-CB 3.32Å; H29-S112 PolarHBondContact ND1-OG 2.92Å; C109-S112 PolarHBondContact N-OG 3.37Å; C109-S112 VanDerWaalsContact O-CB 3.28Å; C109-S112 WeakPolarHBondContact O-CB 3.42Å; C109-S112 PolarHBondContact O-N 3.5Å; C109-S112 PolarHBondContact O-OG 2.86Å; C109-S112 PolarHBondContact SG-OG 3.27Å; S112-A116 VanDerWaalsContact O-CB 3.22Å; S112-A116 WeakPolarHBondContact O-CB 3.47Å; S112-A116 PolarHBondContact O-N 3.35Å
113Y98.5Very high97.4Very high15 Ų1526.1 Ų26.16%0.05912%0.122CC..Hα-helixtrans-67-44.3176.8177.9-116.9000112L73 V82 I85 A86 E89 K111 A116 R117 F160L73-Y113 HydrophobicContact CD1-CE2 4.32Å; V82-Y113 HydrophobicContact CG1-CE2 4.4Å; I85-Y113 HydrophobicContact CB-CD2 4.36Å; I85-Y113 HydrophobicContact CG2-CD2 3.87Å; A86-Y113 HydrophobicContact CB-CD1 4.05Å; A86-Y113 HydrophobicContact CB-CD2 4.21Å; A86-Y113 HydrophobicContact CB-CE1 3.61Å; A86-Y113 HydrophobicContact CB-CE2 3.82Å; A86-Y113 HydrophobicContact CB-CG 4.31Å; A86-Y113 VanDerWaalsContact CB-CZ 3.48Å; E89-Y113 VanDerWaalsContact CD-CD1 3.44Å; E89-Y113 HydrophobicContact CG-CD1 3.98Å; E89-Y113 HydrophobicContact CG-CG 4.32Å; E89-Y113 WeakPolarHBondContact OE1-CD1 3.45Å; K111-Y113 PolarHBondContact O-N 3.27Å; Y113-A116 PolarHBondContact O-N 3.16Å; Y113-R117 HydrophobicContact CD2-CG 4.37Å; Y113-R117 HydrophobicContact CE1-CG 4.49Å; Y113-R117 HydrophobicContact CE2-CG 4.07Å; Y113-R117 VanDerWaalsContact CZ-CD 3.48Å; Y113-R117 VanDerWaalsContact O-CG 3.28Å; Y113-R117 WeakPolarHBondContact O-CG 3.42Å; Y113-R117 PolarHBondContact O-N 3.29Å; Y113-F160 AromaticContact CD2-CE2 3.74Å; Y113-F160 HydrophobicContact CD2-CE2 3.74Å; Y113-F160 AromaticContact CD2-CZ 3.87Å; Y113-F160 HydrophobicContact CD2-CZ 3.87Å; Y113-F160 AromaticContact CE2-CE2 3.76Å; Y113-F160 HydrophobicContact CE2-CE2 3.76Å; Y113-F160 AromaticContact CE2-CZ 3.73Å; Y113-F160 HydrophobicContact CE2-CZ 3.73Å
114E98.4Very high97.6Very high73 Ų7325.3 Ų25.334%0.34112%0.119SC..Hα-helixtrans-59.1-49.9175.3-175.4178.9-173.200111.2K111 A116 R117 L118K111-E114 VanDerWaalsContact CD-OE2 3.32Å; K111-E114 WeakPolarHBondContact CD-OE2 3.21Å; K111-E114 IonicContact NZ-OE2 3.08Å; K111-E114 PolarHBondContact NZ-OE2 2.81Å; K111-E114 PolarHBondContact O-N 3.19Å; E114-A116 PolarHBondContact O-N 3.33Å; E114-R117 PolarHBondContact O-N 3.03Å; E114-L118 WeakPolarHBondContact O-CG 3.35Å; E114-L118 PolarHBondContact O-N 3.32Å
115C98.7Very high97.9Very high1 Ų123.8 Ų23.81%0.00711%0.11CC..Hα-helixtrans-61.5-43.8177.3-57.40000112.1E25 H29 K111 R117 L118 A119E25-C115 PolarHBondContact O-SG 3.47Å; H29-C115 HydrophobicContact CB-CB 3.84Å; H29-C115 PolarHBondContact N-SG 3.37Å; K111-C115 PolarHBondContact O-N 3.28Å; K111-C115 PolarHBondContact O-SG 3.22Å; C115-R117 VanDerWaalsContact C-N 3.3Å; C115-R117 PolarHBondContact O-N 2.91Å; C115-L118 WeakPolarHBondContact O-CB 3.5Å; C115-L118 PolarHBondContact O-N 2.82Å; C115-L118 VanDerWaalsContact O-N 3.13Å; C115-A119 PolarHBondContact O-N 2.94Å
116A98.7Very high98.2Very high1 Ų121 Ų211%0.0089%0.09CC..Hα-helixtrans-64.9-33.3178.500000112.7S112 Y113 E114 C120 P144 L159 F160S112-A116 VanDerWaalsContact O-CB 3.22Å; S112-A116 WeakPolarHBondContact O-CB 3.47Å; S112-A116 PolarHBondContact O-N 3.35Å; Y113-A116 PolarHBondContact O-N 3.16Å; E114-A116 PolarHBondContact O-N 3.33Å; A116-C120 WeakPolarHBondContact O-CB 3.37Å; A116-C120 PolarHBondContact O-N 2.85Å; A116-P144 HydrophobicContact CB-CG 3.91Å; A116-L159 HydrophobicContact CB-CB 4.09Å; A116-L159 HydrophobicContact CB-CD1 4.21Å; A116-F160 HydrophobicContact CB-CD2 3.63Å; A116-F160 HydrophobicContact CB-CE2 4.06Å
117R98.8Very high98.4Very high72 Ų7220.4 Ų20.427%0.2729%0.086SC..Hα-helixtrans-67.8-37.9172.4-72.9173.767.4-165.3-2.8112.4P67 C68 L73 Y113 E114 C115 G121P67-R117 HydrophobicContact CB-CB 4.11Å; C68-R117 PolarHBondContact N-O 3.29Å; C68-R117 PolarHBondContact O-NE 2.79Å; C68-R117 PolarHBondContact O-NH2 2.83Å; L73-R117 HydrophobicContact CD1-CG 4.12Å; Y113-R117 HydrophobicContact CD2-CG 4.37Å; Y113-R117 HydrophobicContact CE1-CG 4.49Å; Y113-R117 HydrophobicContact CE2-CG 4.07Å; Y113-R117 VanDerWaalsContact CZ-CD 3.48Å; Y113-R117 VanDerWaalsContact O-CG 3.28Å; Y113-R117 WeakPolarHBondContact O-CG 3.42Å; Y113-R117 PolarHBondContact O-N 3.29Å; E114-R117 PolarHBondContact O-N 3.03Å; C115-R117 VanDerWaalsContact C-N 3.3Å; C115-R117 PolarHBondContact O-N 2.91Å; R117-G121 PolarHBondContact O-N 3.24Å
118L98.8Very high98.5Very high5 Ų522 Ų223%0.0269%0.094CC..Hα-helixtrans-64.8-47.3174.1-73.7167.9000110.9E25 M26 I65 P67 E114 C115 G121 A122E25-L118 HydrophobicContact CB-CD1 3.9Å; M26-L118 HydrophobicContact CG-CB 3.84Å; M26-L118 HydrophobicContact CG-CD1 4.3Å; M26-L118 HydrophobicContact SD-CB 4.22Å; I65-L118 HydrophobicContact CG2-CB 4.49Å; I65-L118 HydrophobicContact CG2-CD2 3.83Å; I65-L118 WeakPolarHBondContact CG2-O 3.34Å; P67-L118 HydrophobicContact CB-CD2 4.27Å; P67-L118 HydrophobicContact CG-CD2 3.72Å; P67-L118 HydrophobicContact CG-CG 4.47Å; E114-L118 WeakPolarHBondContact O-CG 3.35Å; E114-L118 PolarHBondContact O-N 3.32Å; C115-L118 WeakPolarHBondContact O-CB 3.5Å; C115-L118 PolarHBondContact O-N 2.82Å; C115-L118 VanDerWaalsContact O-N 3.13Å; L118-G121 PolarHBondContact O-N 3.15Å; L118-A122 PolarHBondContact O-N 2.87Å
119A98.8Very high98.6Very high0 Ų022.3 Ų22.30%010%0.096CC..Hα-helixtrans-57.2-53.7177.700000111.9M26 C115 G121 A122 V123 I142M26-A119 HydrophobicContact SD-CB 4.15Å; C115-A119 PolarHBondContact O-N 2.94Å; A119-G121 VanDerWaalsContact C-N 3.32Å; A119-G121 PolarHBondContact O-N 3.32Å; A119-A122 WeakPolarHBondContact O-CB 3.46Å; A119-A122 PolarHBondContact O-N 2.91Å; A119-V123 PolarHBondContact O-N 3.15Å; A119-I142 HydrophobicContact CB-CB 3.93Å; A119-I142 HydrophobicContact CB-CD1 4.24Å; A119-I142 HydrophobicContact CB-CG1 4.47Å; A119-I142 HydrophobicContact CB-CG2 4.45Å
120C98.8Very high98.6Very high0 Ų022.2 Ų22.20%010%0.095CC..Hα-helixtrans-59.3-43.1174.8-820000112.1C68 L73 A116 A122 V123 V124 F160 N162C68-C120 HydrophobicContact CB-CB 4.2Å; C68-C120 VanDerWaalsContact SG-C 3.56Å; L73-C120 HydrophobicContact CD2-CB 4.1Å; A116-C120 WeakPolarHBondContact O-CB 3.37Å; A116-C120 PolarHBondContact O-N 2.85Å; C120-A122 VanDerWaalsContact C-N 3.28Å; C120-A122 PolarHBondContact O-N 3.38Å; C120-V123 PolarHBondContact O-N 2.93Å; C120-V124 WeakPolarHBondContact O-CG2 3.21Å; C120-V124 PolarHBondContact O-N 2.93Å; C120-V124 VanDerWaalsContact O-N 3.09Å; C120-F160 WeakPolarHBondContact SG-CB 3.16Å; C120-N162 WeakPolarHBondContact CA-OD1 3.23Å; C120-N162 PolarHBondContact N-OD1 2.95Å; C120-N162 VanDerWaalsContact N-OD1 3.1Å; C120-N162 PolarHBondContact SG-OD1 3.03Å
121G98.9Very high98.6Very high1 Ų118.8 Ų18.81%0.019%0.087CC..Hα-helixtrans-58.5-40.2178.400000112.6V66 C68 R117 L118 A119 V123 V124 E125V66-G121 WeakPolarHBondContact O-CA 3.24Å; C68-G121 VanDerWaalsContact SG-CA 3.54Å; C68-G121 PolarHBondContact SG-N 2.7Å; C68-G121 VanDerWaalsContact SG-N 3.37Å; R117-G121 PolarHBondContact O-N 3.24Å; L118-G121 PolarHBondContact O-N 3.15Å; A119-G121 VanDerWaalsContact C-N 3.32Å; A119-G121 PolarHBondContact O-N 3.32Å; G121-V123 PolarHBondContact O-N 2.77Å; G121-V124 PolarHBondContact O-N 3.41Å; G121-E125 WeakPolarHBondContact O-CG 3.43Å; G121-E125 PolarHBondContact O-N 2.8Å
122A98.9Very high98.6Very high0 Ų018.9 Ų18.90%09%0.089CC..Hα-helixtrans-63-41.9179.200000112.3L21 I65 L118 A119 C120 E125 A126 A140 I142L21-A122 HydrophobicContact CB-CB 3.95Å; L21-A122 HydrophobicContact CD2-CB 4.28Å; I65-A122 HydrophobicContact CD1-CB 3.79Å; I65-A122 HydrophobicContact CG1-CB 3.87Å; I65-A122 HydrophobicContact CG2-CB 4.37Å; L118-A122 PolarHBondContact O-N 2.87Å; A119-A122 WeakPolarHBondContact O-CB 3.46Å; A119-A122 PolarHBondContact O-N 2.91Å; C120-A122 VanDerWaalsContact C-N 3.28Å; C120-A122 PolarHBondContact O-N 3.38Å; A122-E125 PolarHBondContact O-N 2.81Å; A122-A126 WeakPolarHBondContact O-CB 3.42Å; A122-A126 PolarHBondContact O-N 3.37Å; A122-A140 HydrophobicContact CB-CB 4.23Å; A122-I142 HydrophobicContact CB-CG2 3.52Å
123V98.9Very high98.4Very high0 Ų020.9 Ų20.90%011%0.11CC..Hα-helixtrans-70.5-36.1178.4-168.80000111.2A119 C120 G121 A126 A127 A140 I142 N162 A166 F272 V311 A313A119-V123 PolarHBondContact O-N 3.15Å; C120-V123 PolarHBondContact O-N 2.93Å; G121-V123 PolarHBondContact O-N 2.77Å; V123-A126 PolarHBondContact O-N 3.23Å; V123-A127 WeakPolarHBondContact O-CB 3.04Å; V123-A127 PolarHBondContact O-N 3.43Å; V123-A140 HydrophobicContact CG2-CB 3.95Å; V123-I142 HydrophobicContact CG2-CD1 3.51Å; V123-N162 HydrophobicContact CG2-CB 3.83Å; V123-A166 HydrophobicContact CB-CB 3.99Å; V123-A166 HydrophobicContact CG1-CB 3.5Å; V123-A166 VanDerWaalsContact CG1-CB 3.5Å; V123-F272 HydrophobicContact CG1-CD1 4.11Å; V123-F272 HydrophobicContact CG1-CE1 3.85Å; V123-V311 HydrophobicContact CG1-CG1 3.98Å; V123-A313 HydrophobicContact CG1-CB 4.29Å; V123-A313 HydrophobicContact CG2-CB 3.82Å
124V98.9Very high98.2Very high3 Ų325.6 Ų25.62%0.01813%0.13CC..Hα-helixtrans-63.4-46.3173170.20000111.4V72 C120 G121 A126 A127 K128 V165 A166 Y169V72-V124 HydrophobicContact CG1-CG2 4.22Å; C120-V124 WeakPolarHBondContact O-CG2 3.21Å; C120-V124 PolarHBondContact O-N 2.93Å; C120-V124 VanDerWaalsContact O-N 3.09Å; G121-V124 PolarHBondContact O-N 3.41Å; V124-A126 VanDerWaalsContact C-N 3.35Å; V124-A127 PolarHBondContact O-N 2.81Å; V124-K128 HydrophobicContact CG1-CD 4.45Å; V124-K128 WeakPolarHBondContact O-CG 3.03Å; V124-K128 PolarHBondContact O-N 3.35Å; V124-V165 HydrophobicContact CG2-CG1 4.19Å; V124-A166 HydrophobicContact CG2-CB 4.1Å; V124-Y169 HydrophobicContact CG1-CD1 3.95Å; V124-Y169 HydrophobicContact CG1-CD2 4.19Å; V124-Y169 HydrophobicContact CG1-CE1 4.18Å; V124-Y169 HydrophobicContact CG1-CE2 4.37Å; V124-Y169 HydrophobicContact CG1-CG 3.97Å
125E98.9Very high98.1Very high36 Ų3622.1 Ų22.117%0.16811%0.114CC..Hα-helixtrans-68.2-33.9177.8-66.8-52.6127.400112.2L21 V66 G121 A122 K128 A129L21-E125 HydrophobicContact CD2-CB 3.82Å; V66-E125 HydrophobicContact CB-CG 4.23Å; V66-E125 HydrophobicContact CG2-CG 4.32Å; G121-E125 WeakPolarHBondContact O-CG 3.43Å; G121-E125 PolarHBondContact O-N 2.8Å; A122-E125 PolarHBondContact O-N 2.81Å; E125-K128 PolarHBondContact O-N 2.95Å; E125-K128 WeakPolarHBondContact OE1-CD 3.48Å; E125-K128 WeakPolarHBondContact OE1-CE 3.3Å; E125-K128 IonicContact OE1-NZ 3.28Å; E125-K128 PolarHBondContact OE1-NZ 2.96Å; E125-K128 IonicContact OE2-NZ 2.7Å; E125-A129 WeakPolarHBondContact O-CB 3.5Å; E125-A129 PolarHBondContact O-N 3.22Å
126A98.9Very high97.9Very high0 Ų022.7 Ų22.70%012%0.119CC..Hα-helixtrans-60.2-47.9170.100000111.5L21 A122 V123 V124 K128 A129 V130 C138 V311L21-A126 HydrophobicContact CD1-CB 3.76Å; A122-A126 WeakPolarHBondContact O-CB 3.42Å; A122-A126 PolarHBondContact O-N 3.37Å; V123-A126 PolarHBondContact O-N 3.23Å; V124-A126 VanDerWaalsContact C-N 3.35Å; A126-K128 PolarHBondContact O-N 3.48Å; A126-A129 PolarHBondContact O-N 2.93Å; A126-V130 PolarHBondContact O-N 3.27Å; A126-C138 HydrophobicContact CB-CB 3.73Å; A126-V311 HydrophobicContact CB-CG1 3.63Å; A126-V311 HydrophobicContact CB-CG2 4.14Å
127A98.9Very high97.8Very high0 Ų022.7 Ų22.70%012%0.119CC..Hα-helixtrans-59.8-45.3177.900000112V123 V124 A129 V130 V131 L174 L270 F272V123-A127 WeakPolarHBondContact O-CB 3.04Å; V123-A127 PolarHBondContact O-N 3.43Å; V124-A127 PolarHBondContact O-N 2.81Å; A127-A129 PolarHBondContact O-N 2.98Å; A127-V130 WeakPolarHBondContact O-CG2 3.26Å; A127-V131 WeakPolarHBondContact O-CB 3.23Å; A127-V131 VanDerWaalsContact O-CG2 3.23Å; A127-V131 WeakPolarHBondContact O-CG2 3.47Å; A127-V131 PolarHBondContact O-N 3.19Å; A127-L174 HydrophobicContact CB-CD1 4.39Å; A127-L270 HydrophobicContact CB-CD2 4.36Å; A127-F272 HydrophobicContact CB-CE1 4.02Å; A127-F272 HydrophobicContact CB-CZ 3.72Å
128K98.7Very high97.8Very high40 Ų4019.3 Ų19.317%0.17411%0.106CC..Hα-helixtrans-56.4-51.7173.1-71171.3-177.8176.30111.3V124 E125 A126 V130 V131 E132 Y169 L174V124-K128 HydrophobicContact CG1-CD 4.45Å; V124-K128 WeakPolarHBondContact O-CG 3.03Å; V124-K128 PolarHBondContact O-N 3.35Å; E125-K128 PolarHBondContact O-N 2.95Å; E125-K128 WeakPolarHBondContact OE1-CD 3.48Å; E125-K128 WeakPolarHBondContact OE1-CE 3.3Å; E125-K128 IonicContact OE1-NZ 3.28Å; E125-K128 PolarHBondContact OE1-NZ 2.96Å; E125-K128 IonicContact OE2-NZ 2.7Å; A126-K128 PolarHBondContact O-N 3.48Å; K128-V130 VanDerWaalsContact C-N 3.34Å; K128-V130 PolarHBondContact O-N 3.26Å; K128-V131 PolarHBondContact O-N 2.92Å; K128-E132 VanDerWaalsContact O-CB 3.25Å; K128-E132 WeakPolarHBondContact O-CB 3.36Å; K128-E132 WeakPolarHBondContact O-CG 3.29Å; K128-E132 PolarHBondContact O-N 3.47Å; K128-Y169 HydrophobicContact CD-CE1 4.39Å; K128-Y169 WeakPolarHBondContact CE-OH 3.26Å; K128-Y169 HydrophobicContact CG-CE1 4.15Å; K128-L174 HydrophobicContact CG-CD1 4.08Å; K128-L174 HydrophobicContact CG-CD2 4.05Å
129A98.5Very high97.8Very high6 Ų619.1 Ų19.15%0.0511%0.106CC..Hα-helixtrans-60.9-40.7-17500000112.8L63 E125 A126 A127 G133 K134 C135L63-A129 HydrophobicContact CD1-CB 3.47Å; L63-A129 VanDerWaalsContact CD1-CB 3.47Å; E125-A129 WeakPolarHBondContact O-CB 3.5Å; E125-A129 PolarHBondContact O-N 3.22Å; A126-A129 PolarHBondContact O-N 2.93Å; A127-A129 PolarHBondContact O-N 2.98Å; A129-G133 PolarHBondContact O-N 3.23Å; A129-K134 HydrophobicContact CB-CB 4.39Å; A129-K134 WeakPolarHBondContact O-CA 3.3Å; A129-K134 WeakPolarHBondContact O-CB 3.48Å; A129-K134 PolarHBondContact O-N 2.94Å; A129-C135 HydrophobicContact CB-CB 4.36Å; A129-C135 PolarHBondContact O-N 3.46Å
130V97.9Very high97.8Very high2 Ų219.1 Ų19.11%0.01211%0.106CC..Hα-helixtrans-77.3-38179.8-57.20000112.7A126 A127 K128 E132 G133 C135 C138 L270 R309 V311A126-V130 PolarHBondContact O-N 3.27Å; A127-V130 WeakPolarHBondContact O-CG2 3.26Å; K128-V130 VanDerWaalsContact C-N 3.34Å; K128-V130 PolarHBondContact O-N 3.26Å; V130-E132 VanDerWaalsContact C-N 3.34Å; V130-G133 PolarHBondContact O-N 2.98Å; V130-G133 VanDerWaalsContact O-N 3.17Å; V130-C135 HydrophobicContact CG1-CB 4.35Å; V130-C138 HydrophobicContact CG1-CB 3.97Å; V130-L270 HydrophobicContact CG2-CD1 3.66Å; V130-R309 HydrophobicContact CG2-CB 4.46Å; V130-V311 HydrophobicContact CG1-CG2 4.31Å; V130-V311 HydrophobicContact CG2-CG2 3.64Å
131V97.7Very high97.8Very high40 Ų4019.1 Ų19.124%0.24211%0.106CC..Hα-helixtrans-67.1-37.3177.6173.50000111.2A127 K128 G133 L174 V176 L270A127-V131 WeakPolarHBondContact O-CB 3.23Å; A127-V131 VanDerWaalsContact O-CG2 3.23Å; A127-V131 WeakPolarHBondContact O-CG2 3.47Å; A127-V131 PolarHBondContact O-N 3.19Å; K128-V131 PolarHBondContact O-N 2.92Å; V131-G133 PolarHBondContact O-N 2.9Å; V131-L174 HydrophobicContact CB-CD1 4.35Å; V131-L174 HydrophobicContact CG1-CB 4.05Å; V131-L174 HydrophobicContact CG2-CD1 4.27Å; V131-V176 HydrophobicContact CG1-CG2 4.2Å; V131-V176 HydrophobicContact CG2-CG2 3.77Å; V131-L270 HydrophobicContact CG2-CD1 4.16Å; V131-L270 HydrophobicContact CG2-CD2 4.01Å
132E96.6Very high97.8Very high101 Ų10119.2 Ų19.247%0.47211%0.106SC..THydrogen-bonded Turntrans-79.32.2176.3-64.7170179.400113.2K128 V130 K134K128-E132 VanDerWaalsContact O-CB 3.25Å; K128-E132 WeakPolarHBondContact O-CB 3.36Å; K128-E132 WeakPolarHBondContact O-CG 3.29Å; K128-E132 PolarHBondContact O-N 3.47Å; V130-E132 VanDerWaalsContact C-N 3.34Å; E132-K134 HydrophobicContact CB-CD 4.29Å; E132-K134 HydrophobicContact CB-CG 4.2Å; E132-K134 PolarHBondContact O-N 3.33Å; E132-K134 WeakPolarHBondContact OE2-CD 3.4Å; E132-K134 WeakPolarHBondContact OE2-CE 3.4Å; E132-K134 IonicContact OE2-NZ 2.62Å; E132-K134 PolarHBondContact OE2-NZ 3.43Å
133G94.8Very high97.8Very high43 Ų4319.2 Ų19.244%0.44311%0.106SC..THydrogen-bonded Turntrans69.317.1179.100000114.8A129 V130 V131A129-G133 PolarHBondContact O-N 3.23Å; V130-G133 PolarHBondContact O-N 2.98Å; V130-G133 VanDerWaalsContact O-N 3.17Å; V131-G133 PolarHBondContact O-N 2.9Å
134K95Very high97.8Very high114 Ų11419.3 Ų19.350%0.49611%0.106SC..SBendtrans-78.2-19.9179.1-66.8174.8175.1165.70113.3A129 E132A129-K134 HydrophobicContact CB-CB 4.39Å; A129-K134 WeakPolarHBondContact O-CA 3.3Å; A129-K134 WeakPolarHBondContact O-CB 3.48Å; A129-K134 PolarHBondContact O-N 2.94Å; E132-K134 HydrophobicContact CB-CD 4.29Å; E132-K134 HydrophobicContact CB-CG 4.2Å; E132-K134 PolarHBondContact O-N 3.33Å; E132-K134 WeakPolarHBondContact OE2-CD 3.4Å; E132-K134 WeakPolarHBondContact OE2-CE 3.4Å; E132-K134 IonicContact OE2-NZ 2.62Å; E132-K134 PolarHBondContact OE2-NZ 3.43Å
135C95.8Very high97.7Very high0 Ų019.2 Ų19.20%011%0.106CC..SBendtrans-141147.5179.3-74.40000111.4V17 A129 V130 G137 C138V17-C135 WeakPolarHBondContact O-CA 3.46Å; A129-C135 HydrophobicContact CB-CB 4.36Å; A129-C135 PolarHBondContact O-N 3.46Å; V130-C135 HydrophobicContact CG1-CB 4.35Å; C135-G137 VanDerWaalsContact C-N 3.33Å; C135-G137 PolarHBondContact O-N 3.42Å; C135-C138 VanDerWaalsContact CB-SG 3.56Å
136A93.7Very high97.7Very high12 Ų1217.5 Ų17.510%0.09910%0.098CC..SBendtrans-94.264.7177.600000110V16 V17 N308V16-A136 HydrophobicContact CB-CB 4.46Å; V16-A136 HydrophobicContact CG1-CB 4.06Å; V16-A136 VanDerWaalsContact O-CB 3.23Å; V16-A136 WeakPolarHBondContact O-CB 3.4Å; V17-A136 PolarHBondContact O-N 2.56Å; A136-N308 HydrophobicContact CB-CB 4.43Å
137G97.9Very high97.7Very high2 Ų217.6 Ų17.62%0.02110%0.098CC..SBendtrans88.4157.2-167.200000112.9P18 G19 C135 N308 L310P18-G137 CarbonylContact C-O 3.49Å; P18-G137 VanDerWaalsContact CA-O 3.26Å; P18-G137 WeakPolarHBondContact CA-O 3.41Å; G19-G137 PolarHBondContact N-O 2.9Å; C135-G137 VanDerWaalsContact C-N 3.33Å; C135-G137 PolarHBondContact O-N 3.42Å; G137-N308 PolarHBondContact N-O 3.2Å; G137-L310 CarbonylContact C-O 3.55Å; G137-L310 WeakPolarHBondContact CA-O 3.46Å
138C98.7Very high97.6Very high0 Ų017.8 Ų17.80%010%0.099CC..EExtended strand (participates in β ladder)trans-140.3151.4179.1-77.50000112.3G19 A126 V130 C135 L310 V311 V312G19-C138 VanDerWaalsContact O-CA 3.22Å; G19-C138 WeakPolarHBondContact O-CA 3.45Å; A126-C138 HydrophobicContact CB-CB 3.73Å; V130-C138 HydrophobicContact CG1-CB 3.97Å; C135-C138 VanDerWaalsContact CB-SG 3.56Å; C138-L310 PolarHBondContact N-O 2.89Å; C138-V311 WeakPolarHBondContact O-CA 3.41Å; C138-V312 PolarHBondContact O-N 3.17Å
139I98.9Very high97.6Very high2 Ų215.9 Ų15.91%0.019%0.091CC..EExtended strand (participates in β ladder)trans-121.1131.1164.5-170.5168.4000111G19 Y20 L21 M60 L141 V312 V327 V330 I331 L334G19-I139 PolarHBondContact O-N 3.19Å; Y20-I139 CarbonylContact C-O 3.58Å; Y20-I139 VanDerWaalsContact CA-O 3.23Å; Y20-I139 WeakPolarHBondContact CA-O 3.28Å; L21-I139 PolarHBondContact N-O 3.48Å; M60-I139 HydrophobicContact CE-CG2 3.89Å; I139-L141 HydrophobicContact CD1-CD2 3.75Å; I139-L141 HydrophobicContact CG1-CD2 3.94Å; I139-L141 HydrophobicContact CG1-CG 4.48Å; I139-V312 CarbonylContact C-O 3.59Å; I139-V312 VanDerWaalsContact CA-O 3.27Å; I139-V312 WeakPolarHBondContact CA-O 3.36Å; I139-V312 HydrophobicContact CB-CB 4.39Å; I139-V312 HydrophobicContact CD1-CG1 4.42Å; I139-V312 HydrophobicContact CG1-CB 4.12Å; I139-V312 HydrophobicContact CG1-CG1 4.33Å; I139-V327 HydrophobicContact CD1-CG1 4.11Å; I139-V330 HydrophobicContact CD1-CG1 3.93Å; I139-I331 HydrophobicContact CD1-CG1 4.19Å; I139-I331 HydrophobicContact CG2-CG1 4.14Å; I139-L334 HydrophobicContact CB-CD1 3.99Å; I139-L334 HydrophobicContact CG2-CD1 4.33Å
140A98.9Very high97.6Very high0 Ų017.6 Ų17.60%010%0.098CC..EExtended strand (participates in β ladder)trans-101.5105.8172.300000108.8A122 V123 I142 V312 L314A122-A140 HydrophobicContact CB-CB 4.23Å; V123-A140 HydrophobicContact CG2-CB 3.95Å; A140-I142 HydrophobicContact CB-CD1 4.39Å; A140-I142 HydrophobicContact CB-CG2 3.9Å; A140-I142 PolarHBondContact O-N 3.32Å; A140-V312 PolarHBondContact N-O 3.35Å; A140-L314 PolarHBondContact O-N 3.06Å
141L98.8Very high97.6Very high0 Ų023.5 Ų23.50%012%0.124CC..  trans-87.792174.2-56174.8000107.5L21 T22 M26 L44 V48 L57 I139 V327L21-L141 PolarHBondContact O-N 3.18Å; T22-L141 PolarHBondContact OG1-O 3.13Å; M26-L141 WeakPolarHBondContact CE-O 3.25Å; L44-L141 VanDerWaalsContact CD1-C 3.5Å; L44-L141 HydrophobicContact CD1-CB 3.84Å; L44-L141 VanDerWaalsContact CD1-O 3.23Å; L44-L141 WeakPolarHBondContact CD1-O 3.41Å; V48-L141 HydrophobicContact CG2-CB 4.37Å; V48-L141 HydrophobicContact CG2-CD1 3.97Å; L57-L141 HydrophobicContact CD2-CD1 4.44Å; I139-L141 HydrophobicContact CD1-CD2 3.75Å; I139-L141 HydrophobicContact CG1-CD2 3.94Å; I139-L141 HydrophobicContact CG1-CG 4.48Å; L141-V327 HydrophobicContact CD2-CG1 3.53Å
142I98.8Very high97.6Very high2 Ų230.4 Ų30.41%0.0115%0.145CC..  trans-129160.2-165.259179.3000112.3M26 A119 A122 V123 A140 N162 A313 L314M26-I142 HydrophobicContact CE-CB 4.38Å; M26-I142 HydrophobicContact CE-CG2 4.05Å; M26-I142 HydrophobicContact SD-CB 3.89Å; M26-I142 HydrophobicContact SD-CG2 3.9Å; A119-I142 HydrophobicContact CB-CB 3.93Å; A119-I142 HydrophobicContact CB-CD1 4.24Å; A119-I142 HydrophobicContact CB-CG1 4.47Å; A119-I142 HydrophobicContact CB-CG2 4.45Å; A122-I142 HydrophobicContact CB-CG2 3.52Å; V123-I142 HydrophobicContact CG2-CD1 3.51Å; A140-I142 HydrophobicContact CB-CD1 4.39Å; A140-I142 HydrophobicContact CB-CG2 3.9Å; A140-I142 PolarHBondContact O-N 3.32Å; I142-N162 HydrophobicContact CD1-CB 3.99Å; I142-A313 HydrophobicContact CD1-CB 4.37Å; I142-L314 HydrophobicContact CG1-CB 4.42Å
143R98.2Very high97.6Very high1 Ų129.6 Ų29.60%0.00414%0.141CC..SBendtrans-156.8152.1162.359.4-178.5-60.2-84.20.8110.7M26 H29 E39 S40 L44 Y107M26-R143 HydrophobicContact CB-CG 3.97Å; M26-R143 WeakPolarHBondContact CB-O 3.48Å; M26-R143 WeakPolarHBondContact CG-O 3.49Å; M26-R143 PolarHBondContact O-NH1 3.01Å; H29-R143 PolarHBondContact CD2-NH2 3.18Å; H29-R143 VanDerWaalsContact CD2-NH2 3.34Å; H29-R143 PolarHBondContact O-NH1 3.5Å; H29-R143 PolarHBondContact O-NH2 3.42Å; E39-R143 IonicContact OE1-CZ 3.66Å; E39-R143 IonicContact OE1-NE 3.18Å; E39-R143 PolarHBondContact OE1-NE 3.1Å; E39-R143 VanDerWaalsContact OE1-NE 3.08Å; E39-R143 IonicContact OE1-NH2 3.54Å; E39-R143 PolarHBondContact OE1-NH2 2.78Å; E39-R143 IonicContact OE2-CZ 3.94Å; E39-R143 IonicContact OE2-NE 2.97Å; E39-R143 IonicContact OE2-NH2 2.73Å; E39-R143 PolarHBondContact OE2-NH2 3.05Å; S40-R143 PolarHBondContact O-NE 2.78Å; L44-R143 HydrophobicContact CB-CG 4.16Å; L44-R143 HydrophobicContact CD2-CG 4.04Å; Y107-R143 PolarHBondContact OH-NH2 3.04Å
144P98.3Very high97.8Very high1 Ų127.5 Ų27.51%0.00612%0.12CC..SBendcis-65.7161.3-0.826.5-34.6000114A116 L159 N162A116-P144 HydrophobicContact CB-CG 3.91Å; P144-L159 HydrophobicContact CG-CB 4.49Å; P144-L159 HydrophobicContact CG-CD1 4.18Å; P144-L159 HydrophobicContact CG-CG 4.24Å; P144-N162 PolarHBondContact O-ND2 3.33Å
145P98.4Very high97.9Very high2 Ų222.9 Ų22.91%0.01310%0.101CC..  trans-62.9172.8168.430.9-36000111.1F157 C158 E315P145-F157 HydrophobicContact CG-CB 3.96Å; P145-C158 WeakPolarHBondContact O-CA 3.34Å; P145-E315 WeakPolarHBondContact CB-OE2 3.48Å
146G98.3Very high97.8Very high0 Ų023 Ų230%010%0.103CC..  trans-138.7-25.8-170.800000117.6H148 A149 C158 F160 N161 N162 E315G146-H148 VanDerWaalsContact C-N 3.26Å; G146-H148 PolarHBondContact O-N 3.21Å; G146-H148 VanDerWaalsContact O-N 3.08Å; G146-A149 WeakPolarHBondContact O-CB 3.38Å; G146-A149 PolarHBondContact O-N 3.01Å; G146-C158 VanDerWaalsContact CA-SG 3.59Å; G146-C158 PolarHBondContact N-SG 3.31Å; G146-F160 WeakPolarHBondContact CA-O 3.41Å; G146-N161 VanDerWaalsContact O-CA 3.28Å; G146-N161 WeakPolarHBondContact O-CA 3.4Å; G146-N161 PolarHBondContact O-ND2 3.21Å; G146-N162 PolarHBondContact N-ND2 3.46Å; G146-E315 PolarHBondContact N-OE2 3.44Å
147H98.2Very high98Very high1 Ų123.7 Ų23.71%0.00510%0.103CC..THydrogen-bonded Turntrans-61.6-26.7-16575.7146.9000115.3N161 D183 D185 G191 E315H147-N161 PolarHBondContact O-ND2 2.87Å; H147-N161 VanDerWaalsContact O-ND2 3.15Å; H147-D183 IonicContact CG-OD2 3.81Å; H147-D183 IonicContact ND1-OD1 2.8Å; H147-D183 IonicContact ND1-OD2 3.87Å; H147-D183 PolarHBondContact ND1-OD2 2.94Å; H147-D183 VanDerWaalsContact ND1-OD2 3.1Å; H147-D185 WeakPolarHBondContact CE1-CB 3.46Å; H147-D185 IonicContact CE1-OD1 3.23Å; H147-D185 PolarHBondContact CE1-OD1 2.83Å; H147-D185 IonicContact CE1-OD2 2.66Å; H147-D185 PolarHBondContact CE1-OD2 3.2Å; H147-D185 IonicContact NE2-OD1 3.1Å; H147-D185 IonicContact NE2-OD2 3.65Å; H147-G191 WeakPolarHBondContact O-CA 3.48Å; H147-G191 PolarHBondContact O-N 3.04Å; H147-E315 HydrophobicContact CB-CG 4.39Å; H147-E315 IonicContact CD2-OE2 2.62Å; H147-E315 IonicContact CG-OE2 2.78Å; H147-E315 PolarHBondContact N-OE2 3.38Å
148H98.1Very high98Very high4 Ų423.6 Ų23.62%0.01910%0.102CC..THydrogen-bonded Turntrans-80.6-16.9174.4-62.3-46.2000114.9G146 M150 N155 G156 C158 H187 Y188 Q190 W216G146-H148 VanDerWaalsContact C-N 3.26Å; G146-H148 PolarHBondContact O-N 3.21Å; G146-H148 VanDerWaalsContact O-N 3.08Å; H148-M150 PolarHBondContact O-N 2.75Å; H148-M150 VanDerWaalsContact O-N 3.16Å; H148-N155 HydrophobicContact CB-CB 4.38Å; H148-N155 VanDerWaalsContact CB-O 3.29Å; H148-N155 WeakPolarHBondContact CB-O 3.21Å; H148-G156 PolarHBondContact CD2-O 3.01Å; H148-C158 HydrophobicContact CB-CB 3.99Å; H148-H187 WeakPolarHBondContact CE1-CB 3.4Å; H148-Y188 PolarHBondContact CE1-O 2.93Å; H148-Y188 PolarHBondContact ND1-O 3.01Å; H148-Q190 PolarHBondContact ND1-NE2 2.86Å; H148-Q190 PolarHBondContact ND1-OE1 2.78Å; H148-W216 AromaticContact CD2-CH2 3.65Å; H148-W216 AromaticContact CD2-CZ3 3.79Å; H148-W216 AromaticContact CE1-CH2 3.85Å; H148-W216 AromaticContact CE1-CZ3 3.42Å; H148-W216 VanDerWaalsContact CE1-CZ3 3.42Å; H148-W216 WeakPolarHBondContact CE1-CZ3 3.27Å; H148-W216 AromaticContact CG-CH2 3.79Å; H148-W216 AromaticContact ND1-CH2 3.9Å; H148-W216 AromaticContact ND1-CZ3 3.92Å; H148-W216 AromaticContact NE2-CH2 3.65Å; H148-W216 AromaticContact NE2-CZ3 3.27Å; H148-W216 VanDerWaalsContact NE2-CZ3 3.27Å; H148-W216 WeakPolarHBondContact NE2-CZ3 3.46Å
149A98.4Very high98Very high0 Ų023.6 Ų23.60%010%0.102CC..  trans-65120.7-176.500000110.4G146 C158 N161G146-A149 WeakPolarHBondContact O-CB 3.38Å; G146-A149 PolarHBondContact O-N 3.01Å; A149-C158 HydrophobicContact CB-CB 3.82Å; A149-N161 HydrophobicContact CB-CB 4.18Å; A149-N161 PolarHBondContact O-ND2 3.38Å
150M97.9Very high98Very high42 Ų4223.6 Ų23.621%0.20710%0.102CC..BIsolated β-bridgetrans-86.3168.4-178.7-72-70.6-120.600111.1H77 H148 R152 E153 Q190 K194H77-M150 PolarHBondContact CE1-O 3.15Å; H77-M150 PolarHBondContact ND1-O 2.95Å; H148-M150 PolarHBondContact O-N 2.75Å; H148-M150 VanDerWaalsContact O-N 3.16Å; M150-R152 PolarHBondContact O-N 3.31Å; M150-E153 HydrophobicContact CB-CB 4.11Å; M150-E153 PolarHBondContact N-O 2.98Å; M150-Q190 HydrophobicContact CE-CG 4.19Å; M150-Q190 HydrophobicContact SD-CG 4.13Å; M150-K194 HydrophobicContact CE-CB 4.46Å; M150-K194 HydrophobicContact CE-CG 4.44Å; M150-K194 HydrophobicContact SD-CB 4.26Å
151K98.1Very high98Very high126 Ų12623.6 Ų23.655%0.54810%0.102SC..THydrogen-bonded Turntrans-52.6-28.8177.5-176.5166.3-171.4166.90114H77 S78H77-K151 WeakPolarHBondContact CA-O 3.29Å; S78-K151 PolarHBondContact N-O 2.98Å
152R98Very high98Very high185 Ų18523.6 Ų23.670%0.69810%0.102SC*.THydrogen-bonded Turntrans-134.910-172.8-58.5-175175.3151-2114.3Y81 M150Y81-R152 WeakPolarHBondContact CD2-O 3.44Å; M150-R152 PolarHBondContact O-N 3.31Å
153E97.2Very high98Very high84 Ų8423.5 Ų23.539%0.39310%0.102SC..BIsolated β-bridgetrans-155.3137.8-165.9173.3168.1-152.800111.2Y103 M150Y103-E153 HydrophobicContact CD1-CG 4.1Å; Y103-E153 HydrophobicContact CE1-CG 4.18Å; M150-E153 HydrophobicContact CB-CB 4.11Å; M150-E153 PolarHBondContact N-O 2.98Å
154A97.6Very high98Very high0 Ų023.5 Ų23.50%010%0.102CC..  trans-82.7145168.400000107.9Y81 Y103 V106 C158 L159Y81-A154 VanDerWaalsContact OH-CA 3.27Å; Y81-A154 WeakPolarHBondContact OH-CA 3.25Å; Y81-A154 VanDerWaalsContact OH-CB 3.28Å; Y81-A154 WeakPolarHBondContact OH-CB 3.31Å; Y81-A154 PolarHBondContact OH-N 2.86Å; Y81-A154 VanDerWaalsContact OH-N 3.09Å; Y103-A154 HydrophobicContact CD1-CB 4.01Å; Y103-A154 WeakPolarHBondContact CD1-O 3.36Å; Y103-A154 HydrophobicContact CE1-CB 3.99Å; Y103-A154 HydrophobicContact CG-CB 4.3Å; V106-A154 HydrophobicContact CG1-CB 4.11Å; V106-A154 HydrophobicContact CG2-CB 4Å; A154-C158 VanDerWaalsContact CA-O 3.29Å; A154-C158 WeakPolarHBondContact CA-O 3.47Å; A154-C158 WeakPolarHBondContact CB-O 3.36Å; A154-L159 HydrophobicContact CB-CD2 3.95Å
155N96.9Very high98.1Very high17 Ų1723.4 Ų23.49%0.09110%0.101CC..BIsolated β-bridgetrans-160.2146.6-177.5-157.3-28.2000109.7D104 H148 F157 C158 W216D104-N155 PolarHBondContact O-OD1 3.41Å; H148-N155 HydrophobicContact CB-CB 4.38Å; H148-N155 VanDerWaalsContact CB-O 3.29Å; H148-N155 WeakPolarHBondContact CB-O 3.21Å; N155-F157 PolarHBondContact O-N 3.35Å; N155-C158 PolarHBondContact N-O 2.91Å; N155-C158 VanDerWaalsContact N-O 3.11Å; N155-C158 WeakPolarHBondContact O-CA 3.23Å; N155-C158 WeakPolarHBondContact O-CB 3.4Å; N155-C158 PolarHBondContact O-N 2.92Å; N155-W216 WeakPolarHBondContact OD1-CZ2 3.42Å
156G95.6Very high98.1Very high3 Ų323.3 Ų23.33%0.03110%0.101CC..THydrogen-bonded Turntrans4959.8172.500000113.2D104 H148 C158D104-G156 PolarHBondContact O-N 2.95Å; H148-G156 PolarHBondContact CD2-O 3.01Å; G156-C158 PolarHBondContact O-N 3.38Å; G156-C158 PolarHBondContact O-SG 3.2Å
157F96.9Very high98.1Very high26 Ų2623.3 Ų23.311%0.11410%0.101CC..THydrogen-bonded Turntrans62.9-7-175.4-41.5-46000116.1H37 V38 E39 S105 P145 N155 Y318H37-F157 AromaticContact CE1-CD1 3.57Å; H37-F157 AromaticContact CE1-CE1 3.24Å; H37-F157 WeakPolarHBondContact CE1-CE1 3.26Å; H37-F157 AromaticContact CE1-CZ 3.84Å; H37-F157 AromaticContact NE2-CD1 3.94Å; H37-F157 AromaticContact NE2-CE1 3.38Å; H37-F157 WeakPolarHBondContact NE2-CE1 2.99Å; V38-F157 HydrophobicContact CG2-CE2 4.39Å; V38-F157 HydrophobicContact CG2-CZ 4.12Å; E39-F157 HydrophobicContact CB-CB 4.33Å; E39-F157 HydrophobicContact CB-CD1 4.29Å; E39-F157 HydrophobicContact CB-CD2 4.02Å; E39-F157 HydrophobicContact CB-CE2 4.42Å; E39-F157 HydrophobicContact CB-CG 3.95Å; E39-F157 HydrophobicContact CG-CB 4.05Å; E39-F157 HydrophobicContact CG-CD2 4.3Å; E39-F157 HydrophobicContact CG-CG 4.19Å; S105-F157 WeakPolarHBondContact O-CA 3.39Å; S105-F157 WeakPolarHBondContact O-CD1 3.36Å; S105-F157 WeakPolarHBondContact O-CE1 3.4Å; S105-F157 PolarHBondContact O-N 3.37Å; P145-F157 HydrophobicContact CG-CB 3.96Å; N155-F157 PolarHBondContact O-N 3.35Å; F157-Y318 HydrophobicContact CD2-CE1 4.08Å; F157-Y318 AromaticContact CD2-CZ 3.89Å; F157-Y318 VanDerWaalsContact CD2-OH 3.3Å; F157-Y318 WeakPolarHBondContact CD2-OH 3.4Å; F157-Y318 HydrophobicContact CE2-CE1 4.03Å; F157-Y318 AromaticContact CE2-CZ 3.78Å
158C98.4Very high98.2Very high0 Ų024.1 Ų24.10%011%0.106CC..BIsolated β-bridgetrans-94.4127.9-172.1-59.60000112.4P145 G146 H148 A149 A154 N155 G156P145-C158 WeakPolarHBondContact O-CA 3.34Å; G146-C158 VanDerWaalsContact CA-SG 3.59Å; G146-C158 PolarHBondContact N-SG 3.31Å; H148-C158 HydrophobicContact CB-CB 3.99Å; A149-C158 HydrophobicContact CB-CB 3.82Å; A154-C158 VanDerWaalsContact CA-O 3.29Å; A154-C158 WeakPolarHBondContact CA-O 3.47Å; A154-C158 WeakPolarHBondContact CB-O 3.36Å; N155-C158 PolarHBondContact N-O 2.91Å; N155-C158 VanDerWaalsContact N-O 3.11Å; N155-C158 WeakPolarHBondContact O-CA 3.23Å; N155-C158 WeakPolarHBondContact O-CB 3.4Å; N155-C158 PolarHBondContact O-N 2.92Å; G156-C158 PolarHBondContact O-N 3.38Å; G156-C158 PolarHBondContact O-SG 3.2Å
159L98.4Very high98.2Very high0 Ų025.9 Ų25.90%011%0.113CC..SBendtrans-100-47.5178.7-57.4-173.6000112.9Y81 V106 L108 A116 P144 A154Y81-L159 WeakPolarHBondContact CE1-O 3.22Å; Y81-L159 PolarHBondContact OH-O 2.88Å; V106-L159 HydrophobicContact CG1-CD2 3.62Å; L108-L159 HydrophobicContact CD2-CD1 3.7Å; L108-L159 HydrophobicContact CD2-CD2 3.63Å; L108-L159 HydrophobicContact CD2-CG 4.36Å; A116-L159 HydrophobicContact CB-CB 4.09Å; A116-L159 HydrophobicContact CB-CD1 4.21Å; P144-L159 HydrophobicContact CG-CB 4.49Å; P144-L159 HydrophobicContact CG-CD1 4.18Å; P144-L159 HydrophobicContact CG-CG 4.24Å; A154-L159 HydrophobicContact CB-CD2 3.95Å
160F98.8Very high98.2Very high1 Ų125.9 Ų25.90%0.00411%0.113CC..SBendtrans-129.6144.8174.2-65.2-46.1000109.4L73 H77 Y81 V82 I85 Y113 A116 C120 G146 N162L73-F160 HydrophobicContact CD1-CD2 4.07Å; L73-F160 HydrophobicContact CD1-CE1 4.43Å; L73-F160 HydrophobicContact CD1-CE2 3.6Å; L73-F160 HydrophobicContact CD1-CZ 3.82Å; L73-F160 HydrophobicContact CD2-CB 4.26Å; L73-F160 HydrophobicContact CD2-CD1 4.4Å; L73-F160 HydrophobicContact CD2-CD2 3.7Å; L73-F160 HydrophobicContact CD2-CE2 4.13Å; L73-F160 HydrophobicContact CD2-CG 3.88Å; H77-F160 AromaticContact CD2-CD1 3.7Å; H77-F160 WeakPolarHBondContact NE2-CA 3.46Å; H77-F160 AromaticContact NE2-CD1 3.76Å; Y81-F160 HydrophobicContact CD1-CE1 4.2Å; Y81-F160 AromaticContact CE1-CD1 3.89Å; Y81-F160 HydrophobicContact CE1-CD1 3.89Å; Y81-F160 AromaticContact CE1-CE1 3.8Å; Y81-F160 HydrophobicContact CE1-CE1 3.8Å; V82-F160 HydrophobicContact CG1-CZ 4.3Å; V82-F160 HydrophobicContact CG2-CE1 4.17Å; I85-F160 HydrophobicContact CB-CE1 4.32Å; I85-F160 HydrophobicContact CB-CZ 3.96Å; I85-F160 HydrophobicContact CG1-CE1 4.22Å; I85-F160 HydrophobicContact CG1-CZ 4.36Å; I85-F160 HydrophobicContact CG2-CE2 4.48Å; I85-F160 HydrophobicContact CG2-CZ 4.01Å; Y113-F160 AromaticContact CD2-CE2 3.74Å; Y113-F160 HydrophobicContact CD2-CE2 3.74Å; Y113-F160 AromaticContact CD2-CZ 3.87Å; Y113-F160 HydrophobicContact CD2-CZ 3.87Å; Y113-F160 AromaticContact CE2-CE2 3.76Å; Y113-F160 HydrophobicContact CE2-CE2 3.76Å; Y113-F160 AromaticContact CE2-CZ 3.73Å; Y113-F160 HydrophobicContact CE2-CZ 3.73Å; A116-F160 HydrophobicContact CB-CD2 3.63Å; A116-F160 HydrophobicContact CB-CE2 4.06Å; C120-F160 WeakPolarHBondContact SG-CB 3.16Å; G146-F160 WeakPolarHBondContact CA-O 3.41Å; F160-N162 PolarHBondContact O-N 3.46Å; F160-N162 VanDerWaalsContact O-N 3.11Å
161N98.8Very high98.3Very high0 Ų025.3 Ų25.30%011%0.111CC..  trans-81.495.5-177.3-162.4-56.5000109.7F76 H77 G146 H147 A149 V163 G164 V165F76-N161 HydrophobicContact CD1-CB 3.9Å; F76-N161 HydrophobicContact CE1-CB 3.45Å; F76-N161 VanDerWaalsContact CE1-CB 3.45Å; F76-N161 HydrophobicContact CE2-CB 4.22Å; F76-N161 HydrophobicContact CG-CB 4.45Å; F76-N161 HydrophobicContact CZ-CB 3.62Å; H77-N161 PolarHBondContact CE1-N 3.23Å; H77-N161 PolarHBondContact NE2-N 3.47Å; G146-N161 VanDerWaalsContact O-CA 3.28Å; G146-N161 WeakPolarHBondContact O-CA 3.4Å; G146-N161 PolarHBondContact O-ND2 3.21Å; H147-N161 PolarHBondContact O-ND2 2.87Å; H147-N161 VanDerWaalsContact O-ND2 3.15Å; A149-N161 HydrophobicContact CB-CB 4.18Å; A149-N161 PolarHBondContact O-ND2 3.38Å; N161-V163 PolarHBondContact O-N 3.32Å; N161-G164 PolarHBondContact O-N 3.46Å; N161-G164 WeakPolarHBondContact OD1-CA 3.38Å; N161-G164 PolarHBondContact OD1-N 3.47Å; N161-V165 WeakPolarHBondContact O-CB 3.21Å; N161-V165 VanDerWaalsContact O-CG2 3.29Å; N161-V165 WeakPolarHBondContact O-CG2 3.46Å; N161-V165 PolarHBondContact O-N 3.09Å
162N98.9Very high98.3Very high1 Ų125.5 Ų25.51%0.00511%0.112CC..Hα-helixtrans-56.5-52.8-172.8-61.3-46.2000111.7C120 V123 I142 P144 G146 F160 A166C120-N162 WeakPolarHBondContact CA-OD1 3.23Å; C120-N162 PolarHBondContact N-OD1 2.95Å; C120-N162 VanDerWaalsContact N-OD1 3.1Å; C120-N162 PolarHBondContact SG-OD1 3.03Å; V123-N162 HydrophobicContact CG2-CB 3.83Å; I142-N162 HydrophobicContact CD1-CB 3.99Å; P144-N162 PolarHBondContact O-ND2 3.33Å; G146-N162 PolarHBondContact N-ND2 3.46Å; F160-N162 PolarHBondContact O-N 3.46Å; F160-N162 VanDerWaalsContact O-N 3.11Å; N162-A166 WeakPolarHBondContact O-CB 3.18Å; N162-A166 PolarHBondContact O-N 2.89Å; N162-A166 VanDerWaalsContact O-N 3.13Å
163V98.9Very high98.3Very high0 Ų020.4 Ų20.40%010%0.098CC..Hα-helixtrans-67.5-43.1178.1171.60000111.5N161 V165 A166 A167 I181 F272 A313N161-V163 PolarHBondContact O-N 3.32Å; V163-V165 PolarHBondContact O-N 3.28Å; V163-A166 PolarHBondContact O-N 3.45Å; V163-A167 VanDerWaalsContact O-CB 3.32Å; V163-A167 WeakPolarHBondContact O-CB 3.26Å; V163-A167 PolarHBondContact O-N 3.42Å; V163-I181 HydrophobicContact CG1-CD1 4.01Å; V163-I181 HydrophobicContact CG1-CG1 4.21Å; V163-I181 HydrophobicContact CG1-CG2 3.8Å; V163-F272 HydrophobicContact CG1-CB 3.7Å; V163-F272 HydrophobicContact CG1-CD1 4.37Å; V163-F272 HydrophobicContact CG1-CG 4Å; V163-A313 HydrophobicContact CG2-CB 3.84Å
164G98.8Very high98.3Very high0 Ų017.9 Ų17.90%09%0.087CC..Hα-helixtrans-62.9-41.5-179.900000113.7F76 N161 S168F76-G164 VanDerWaalsContact CD2-C 3.42Å; N161-G164 PolarHBondContact O-N 3.46Å; N161-G164 WeakPolarHBondContact OD1-CA 3.38Å; N161-G164 PolarHBondContact OD1-N 3.47Å; G164-S168 WeakPolarHBondContact O-CB 3.43Å; G164-S168 PolarHBondContact O-N 3.31Å; G164-S168 PolarHBondContact O-OG 3.2Å
165V98.9Very high98.3Very high0 Ų020.4 Ų20.40%011%0.113CC..Hα-helixtrans-64.7-46.1173.2170.60000110.5V72 L73 F76 V124 N161 V163 S168 Y169V72-V165 HydrophobicContact CG1-CG1 3.81Å; L73-V165 HydrophobicContact CD2-CG2 4.49Å; F76-V165 HydrophobicContact CB-CG2 3.68Å; F76-V165 HydrophobicContact CG-CG2 4.41Å; V124-V165 HydrophobicContact CG2-CG1 4.19Å; N161-V165 WeakPolarHBondContact O-CB 3.21Å; N161-V165 VanDerWaalsContact O-CG2 3.29Å; N161-V165 WeakPolarHBondContact O-CG2 3.46Å; N161-V165 PolarHBondContact O-N 3.09Å; V163-V165 PolarHBondContact O-N 3.28Å; V165-S168 PolarHBondContact O-N 3.18Å; V165-Y169 WeakPolarHBondContact O-CB 3.29Å; V165-Y169 PolarHBondContact O-N 3.44Å
166A98.9Very high98.4Very high0 Ų019.9 Ų19.90%011%0.11CC..Hα-helixtrans-64.7-41.7-18000000113V123 V124 N162 V163 Y169 A170 F272V123-A166 HydrophobicContact CB-CB 3.99Å; V123-A166 HydrophobicContact CG1-CB 3.5Å; V123-A166 VanDerWaalsContact CG1-CB 3.5Å; V124-A166 HydrophobicContact CG2-CB 4.1Å; N162-A166 WeakPolarHBondContact O-CB 3.18Å; N162-A166 PolarHBondContact O-N 2.89Å; N162-A166 VanDerWaalsContact O-N 3.13Å; V163-A166 PolarHBondContact O-N 3.45Å; A166-Y169 PolarHBondContact O-N 3.15Å; A166-A170 WeakPolarHBondContact O-CB 3.36Å; A166-A170 PolarHBondContact O-N 2.8Å; A166-F272 HydrophobicContact CB-CE1 3.76Å; A166-F272 HydrophobicContact CB-CZ 3.83Å
167A98.9Very high98.5Very high0 Ų026.6 Ų26.60%014%0.139CC..Hα-helixtrans-62.1-46.1174.400000111.3V163 Y169 A170 L171 I179 I181 F196 F272V163-A167 VanDerWaalsContact O-CB 3.32Å; V163-A167 WeakPolarHBondContact O-CB 3.26Å; V163-A167 PolarHBondContact O-N 3.42Å; A167-Y169 VanDerWaalsContact C-N 3.3Å; A167-Y169 PolarHBondContact O-N 3.01Å; A167-A170 PolarHBondContact O-N 2.87Å; A167-L171 WeakPolarHBondContact O-CG 3.06Å; A167-L171 PolarHBondContact O-N 3.06Å; A167-I179 HydrophobicContact CB-CD1 3.88Å; A167-I179 HydrophobicContact CB-CG2 4.36Å; A167-I179 WeakPolarHBondContact O-CD1 3.24Å; A167-I181 HydrophobicContact CB-CD1 4.16Å; A167-F196 HydrophobicContact CB-CE2 4.38Å; A167-F196 HydrophobicContact CB-CZ 3.99Å; A167-F272 HydrophobicContact CB-CD2 4.31Å; A167-F272 HydrophobicContact CB-CE2 4.03Å
168S98.8Very high98.6Very high17 Ų1728.4 Ų28.412%0.11915%0.146CC..Hα-helixtrans-62.3-38.3176.5-55.70000112G164 V165 K172G164-S168 WeakPolarHBondContact O-CB 3.43Å; G164-S168 PolarHBondContact O-N 3.31Å; G164-S168 PolarHBondContact O-OG 3.2Å; V165-S168 PolarHBondContact O-N 3.18Å; S168-K172 WeakPolarHBondContact O-CB 3.44Å; S168-K172 PolarHBondContact O-N 3.13Å
169Y98.9Very high98.7Very high41 Ų4128.4 Ų28.416%0.16115%0.146CC..Hα-helixtrans-64.8-44.6174.4-174.3-82.2000111.9V72 L75 V124 K128 V165 A166 A167 K172 N173 L174V72-Y169 HydrophobicContact CG1-CD2 3.96Å; V72-Y169 HydrophobicContact CG2-CD2 4.11Å; V72-Y169 HydrophobicContact CG2-CE2 4.07Å; L75-Y169 HydrophobicContact CD1-CD2 3.92Å; L75-Y169 HydrophobicContact CD1-CG 4.36Å; V124-Y169 HydrophobicContact CG1-CD1 3.95Å; V124-Y169 HydrophobicContact CG1-CD2 4.19Å; V124-Y169 HydrophobicContact CG1-CE1 4.18Å; V124-Y169 HydrophobicContact CG1-CE2 4.37Å; V124-Y169 HydrophobicContact CG1-CG 3.97Å; K128-Y169 HydrophobicContact CD-CE1 4.39Å; K128-Y169 WeakPolarHBondContact CE-OH 3.26Å; K128-Y169 HydrophobicContact CG-CE1 4.15Å; V165-Y169 WeakPolarHBondContact O-CB 3.29Å; V165-Y169 PolarHBondContact O-N 3.44Å; A166-Y169 PolarHBondContact O-N 3.15Å; A167-Y169 VanDerWaalsContact C-N 3.3Å; A167-Y169 PolarHBondContact O-N 3.01Å; Y169-K172 PolarHBondContact O-N 3.24Å; Y169-N173 HydrophobicContact CD1-CB 4.27Å; Y169-N173 WeakPolarHBondContact CD2-ND2 3.29Å; Y169-N173 HydrophobicContact CE1-CB 3.85Å; Y169-N173 HydrophobicContact CE2-CB 4.39Å; Y169-N173 WeakPolarHBondContact O-CB 3.27Å; Y169-N173 PolarHBondContact O-N 2.92Å; Y169-N173 PolarHBondContact O-ND2 2.89Å; Y169-N173 VanDerWaalsContact O-ND2 3.15Å; Y169-L174 HydrophobicContact CD1-CD1 4.22Å; Y169-L174 HydrophobicContact CD1-CG 4.15Å; Y169-L174 HydrophobicContact CE1-CD1 4.31Å; Y169-L174 HydrophobicContact CE1-CD2 3.99Å; Y169-L174 HydrophobicContact CE1-CG 4.01Å
170A98.8Very high98.7Very high0 Ų028.4 Ų28.40%015%0.146CC..Hα-helixtrans-62.9-46.2-179.100000112.2A166 A167 K172 L174 V176 I179 L270A166-A170 WeakPolarHBondContact O-CB 3.36Å; A166-A170 PolarHBondContact O-N 2.8Å; A167-A170 PolarHBondContact O-N 2.87Å; A170-K172 VanDerWaalsContact C-N 3.32Å; A170-K172 PolarHBondContact O-N 3.27Å; A170-L174 HydrophobicContact CB-CD1 4.08Å; A170-L174 WeakPolarHBondContact O-CA 3.41Å; A170-L174 WeakPolarHBondContact O-CB 3.23Å; A170-L174 PolarHBondContact O-N 2.87Å; A170-V176 HydrophobicContact CB-CB 4.28Å; A170-V176 HydrophobicContact CB-CG2 4.13Å; A170-I179 HydrophobicContact CB-CD1 4.07Å; A170-L270 HydrophobicContact CB-CD2 3.65Å
171L98.7Very high98.7Very high30 Ų3028.4 Ų28.416%0.15715%0.147CC..Hα-helixtrans-59.7-42.1175.8-68.4168000112.1A167 I179 V202A167-L171 WeakPolarHBondContact O-CG 3.06Å; A167-L171 PolarHBondContact O-N 3.06Å; L171-I179 HydrophobicContact CD1-CD1 4.22Å; L171-I179 HydrophobicContact CD2-CD1 3.88Å; L171-I179 HydrophobicContact CD2-CG1 4.06Å; L171-I179 HydrophobicContact CG-CD1 3.62Å; L171-I179 HydrophobicContact CG-CG1 4.35Å; L171-V202 HydrophobicContact CD1-CG2 3.67Å
172K98.5Very high98.7Very high131 Ų13128.4 Ų28.457%0.5715%0.147SC*.Hα-helixtrans-78-39.1-175.7-174-180178.2-171.60113.1L75 S168 Y169 A170L75-K172 HydrophobicContact CD2-CD 3.48Å; L75-K172 VanDerWaalsContact CD2-CD 3.48Å; S168-K172 WeakPolarHBondContact O-CB 3.44Å; S168-K172 PolarHBondContact O-N 3.13Å; Y169-K172 PolarHBondContact O-N 3.24Å; A170-K172 VanDerWaalsContact C-N 3.32Å; A170-K172 PolarHBondContact O-N 3.27Å
173N98.6Very high98.7Very high77 Ų7728.6 Ų28.641%0.41215%0.148SC..Hα-helixtrans-122.7-14.4-163.1-54.6-71000114.9Y169Y169-N173 HydrophobicContact CD1-CB 4.27Å; Y169-N173 WeakPolarHBondContact CD2-ND2 3.29Å; Y169-N173 HydrophobicContact CE1-CB 3.85Å; Y169-N173 HydrophobicContact CE2-CB 4.39Å; Y169-N173 WeakPolarHBondContact O-CB 3.27Å; Y169-N173 PolarHBondContact O-N 2.92Å; Y169-N173 PolarHBondContact O-ND2 2.89Å; Y169-N173 VanDerWaalsContact O-ND2 3.15Å
174L98.3Very high98.7Very high32 Ų3228.6 Ų28.617%0.16815%0.148CC..SBendtrans-111.76.3-173.8-57-177000113.8A127 K128 V131 Y169 A170 V176A127-L174 HydrophobicContact CB-CD1 4.39Å; K128-L174 HydrophobicContact CG-CD1 4.08Å; K128-L174 HydrophobicContact CG-CD2 4.05Å; V131-L174 HydrophobicContact CB-CD1 4.35Å; V131-L174 HydrophobicContact CG1-CB 4.05Å; V131-L174 HydrophobicContact CG2-CD1 4.27Å; Y169-L174 HydrophobicContact CD1-CD1 4.22Å; Y169-L174 HydrophobicContact CD1-CG 4.15Å; Y169-L174 HydrophobicContact CE1-CD1 4.31Å; Y169-L174 HydrophobicContact CE1-CD2 3.99Å; Y169-L174 HydrophobicContact CE1-CG 4.01Å; A170-L174 HydrophobicContact CB-CD1 4.08Å; A170-L174 WeakPolarHBondContact O-CA 3.41Å; A170-L174 WeakPolarHBondContact O-CB 3.23Å; A170-L174 PolarHBondContact O-N 2.87Å; L174-V176 HydrophobicContact CB-CG2 4.14Å; L174-V176 PolarHBondContact O-N 2.86Å
175G97.3Very high98.7Very high52 Ų5228.6 Ų28.654%0.53615%0.148SC..  trans723.4179.300000114.9K177G175-K177 WeakPolarHBondContact O-CE 3.43Å
176V98.5Very high98.7Very high7 Ų728.6 Ų28.64%0.04215%0.148CC..  trans-62.8133.8176174.50000109.9V131 A170 L174 I179 D269 L270V131-V176 HydrophobicContact CG1-CG2 4.2Å; V131-V176 HydrophobicContact CG2-CG2 3.77Å; A170-V176 HydrophobicContact CB-CB 4.28Å; A170-V176 HydrophobicContact CB-CG2 4.13Å; L174-V176 HydrophobicContact CB-CG2 4.14Å; L174-V176 PolarHBondContact O-N 2.86Å; V176-I179 HydrophobicContact CG1-CD1 3.91Å; V176-I179 HydrophobicContact CG1-CG1 3.43Å; V176-I179 VanDerWaalsContact CG1-CG1 3.43Å; V176-D269 HydrophobicContact CG1-CB 4.06Å; V176-L270 HydrophobicContact CG1-CB 3.92Å; V176-L270 HydrophobicContact CG1-CD2 4.44Å; V176-L270 HydrophobicContact CG2-CB 4.34Å; V176-L270 HydrophobicContact CG2-CD2 4.21Å
177K98.4Very high98.6Very high143 Ų14329.2 Ų29.262%0.62215%0.15SC*.  trans-113.3-26.9-176.7-56.8-58.2179.4-1740113.9G175 D201 D269G175-K177 WeakPolarHBondContact O-CE 3.43Å; K177-D201 VanDerWaalsContact O-CB 3.28Å; K177-D201 WeakPolarHBondContact O-CB 3.28Å; K177-D269 WeakPolarHBondContact CA-OD2 3.35Å; K177-D269 WeakPolarHBondContact CB-OD2 3.49Å; K177-D269 PolarHBondContact N-OD2 2.99Å
178K98.8Very high98.6Very high64 Ų6429.5 Ų29.528%0.27815%0.151SC..  trans-134.6124.6176.4-70.8-175.7-67.3171.40110.2D201 Y266 Q267 D269 L270K178-D201 WeakPolarHBondContact CA-O 3.36Å; K178-Y266 HydrophobicContact CB-CE1 3.92Å; K178-Y266 HydrophobicContact CB-CE2 4.41Å; K178-Y266 HydrophobicContact CD-CD2 4.38Å; K178-Y266 HydrophobicContact CD-CE2 3.94Å; K178-Y266 HydrophobicContact CG-CE2 4.21Å; K178-Y266 PolarHBondContact NZ-O 3.24Å; K178-Q267 WeakPolarHBondContact CE-O 3.48Å; K178-Q267 PolarHBondContact NZ-O 2.91Å; K178-D269 PolarHBondContact N-OD2 3.4Å; K178-D269 PolarHBondContact O-N 3.45Å; K178-L270 PolarHBondContact O-N 2.81Å
179I98.9Very high98.5Very high0 Ų028.8 Ų28.80%015%0.147CC..EExtended strand (participates in β ladder)trans-114.8131.1177.3-63.5-177000109.3A167 A170 L171 V176 I181 D201 V202 L203 Y266 L270 F272A167-I179 HydrophobicContact CB-CD1 3.88Å; A167-I179 HydrophobicContact CB-CG2 4.36Å; A167-I179 WeakPolarHBondContact O-CD1 3.24Å; A170-I179 HydrophobicContact CB-CD1 4.07Å; L171-I179 HydrophobicContact CD1-CD1 4.22Å; L171-I179 HydrophobicContact CD2-CD1 3.88Å; L171-I179 HydrophobicContact CD2-CG1 4.06Å; L171-I179 HydrophobicContact CG-CD1 3.62Å; L171-I179 HydrophobicContact CG-CG1 4.35Å; V176-I179 HydrophobicContact CG1-CD1 3.91Å; V176-I179 HydrophobicContact CG1-CG1 3.43Å; V176-I179 VanDerWaalsContact CG1-CG1 3.43Å; I179-I181 HydrophobicContact CG2-CG1 3.87Å; I179-D201 PolarHBondContact N-O 3.16Å; I179-V202 HydrophobicContact CB-CG1 4.4Å; I179-V202 HydrophobicContact CB-CG2 4.42Å; I179-V202 HydrophobicContact CG2-CG1 4.46Å; I179-V202 CarbonylContact O-C 3.47Å; I179-V202 WeakPolarHBondContact O-CA 3.39Å; I179-L203 PolarHBondContact O-N 2.79Å; I179-Y266 WeakPolarHBondContact O-CE1 3.37Å; I179-L270 WeakPolarHBondContact CA-O 3.3Å; I179-L270 HydrophobicContact CG1-CB 4.47Å; I179-F272 HydrophobicContact CD1-CE2 4.31Å; I179-F272 HydrophobicContact CG2-CD2 3.68Å; I179-F272 HydrophobicContact CG2-CE2 4.08Å
180L98.9Very high98.5Very high0 Ų026.9 Ų26.90%014%0.14CC..EExtended strand (participates in β ladder)trans-100129.4164.216963.8000108.6V182 L203 I205 A263 Y266 P268 L270 V271 F272 I305L180-V182 HydrophobicContact CD1-CG2 3.98Å; L180-V182 HydrophobicContact CD2-CG2 4.01Å; L180-V182 HydrophobicContact CG-CG2 3.88Å; L180-L203 WeakPolarHBondContact CA-O 3.27Å; L180-L203 HydrophobicContact CD1-CB 4.26Å; L180-L203 HydrophobicContact CD1-CD2 3.84Å; L180-L203 HydrophobicContact CD1-CG 3.83Å; L180-I205 HydrophobicContact CD1-CD1 3.86Å; L180-I205 HydrophobicContact CD1-CG1 4.05Å; L180-A263 HydrophobicContact CD2-CB 3.57Å; L180-Y266 HydrophobicContact CB-CD1 4.48Å; L180-P268 HydrophobicContact CB-CB 3.68Å; L180-P268 HydrophobicContact CB-CG 3.79Å; L180-P268 HydrophobicContact CD2-CG 4.2Å; L180-L270 PolarHBondContact N-O 3.23Å; L180-V271 HydrophobicContact CB-CG1 4.39Å; L180-V271 HydrophobicContact CB-CG2 4.23Å; L180-V271 HydrophobicContact CD2-CG1 4.06Å; L180-V271 HydrophobicContact CD2-CG2 4.24Å; L180-V271 HydrophobicContact CG-CG1 4.17Å; L180-V271 CarbonylContact O-C 3.56Å; L180-V271 WeakPolarHBondContact O-CA 3.22Å; L180-F272 PolarHBondContact O-N 3.04Å; L180-I305 HydrophobicContact CD2-CG2 4.42Å
181I98.9Very high98.4Very high2 Ų227 Ų271%0.0114%0.14CC..EExtended strand (participates in β ladder)trans-114.5116.9169.3-54.8174.8000107.4V163 A167 I179 V192 F196 V202 L203 I205 F272V163-I181 HydrophobicContact CG1-CD1 4.01Å; V163-I181 HydrophobicContact CG1-CG1 4.21Å; V163-I181 HydrophobicContact CG1-CG2 3.8Å; A167-I181 HydrophobicContact CB-CD1 4.16Å; I179-I181 HydrophobicContact CG2-CG1 3.87Å; I181-V192 HydrophobicContact CD1-CG1 3.69Å; I181-V192 HydrophobicContact CG2-CG1 4.13Å; I181-F196 HydrophobicContact CD1-CD2 3.98Å; I181-F196 HydrophobicContact CD1-CE2 3.74Å; I181-V202 HydrophobicContact CD1-CG1 3.73Å; I181-V202 HydrophobicContact CG1-CG1 4.14Å; I181-L203 PolarHBondContact N-O 3.37Å; I181-I205 PolarHBondContact O-N 2.76Å; I181-F272 WeakPolarHBondContact CA-O 3.31Å; I181-F272 HydrophobicContact CG1-CB 4.31Å
182V98.9Very high98.3Very high0 Ų025.7 Ų25.70%013%0.134CC..EExtended strand (participates in β ladder)trans-104.2117.8171.3-178.70000108.2L180 W184 I205 F255 I259 F272 V273 S274 L302L180-V182 HydrophobicContact CD1-CG2 3.98Å; L180-V182 HydrophobicContact CD2-CG2 4.01Å; L180-V182 HydrophobicContact CG-CG2 3.88Å; V182-W184 HydrophobicContact CG1-CE3 4.33Å; V182-I205 CarbonylContact C-O 3.58Å; V182-I205 WeakPolarHBondContact CA-O 3.41Å; V182-F255 HydrophobicContact CG1-CZ 4.14Å; V182-I259 HydrophobicContact CG1-CD1 4.11Å; V182-I259 HydrophobicContact CG2-CG2 4.05Å; V182-F272 PolarHBondContact N-O 2.95Å; V182-V273 CarbonylContact O-C 3.58Å; V182-V273 WeakPolarHBondContact O-CA 3.34Å; V182-S274 PolarHBondContact O-N 2.92Å; V182-L302 HydrophobicContact CB-CD1 4.29Å; V182-L302 HydrophobicContact CG1-CD1 4.46Å; V182-L302 HydrophobicContact CG2-CD1 4.22Å; V182-L302 HydrophobicContact CG2-CD2 4.05Å
183D98.9Very high98.3Very high5 Ų519.9 Ų19.93%0.02711%0.109CC..EExtended strand (participates in β ladder)trans-107.4112.7175.9-163.4-20000108.9H147 D185 I205 S206 I207 S274H147-D183 IonicContact CG-OD2 3.81Å; H147-D183 IonicContact ND1-OD1 2.8Å; H147-D183 IonicContact ND1-OD2 3.87Å; H147-D183 PolarHBondContact ND1-OD2 2.94Å; H147-D183 VanDerWaalsContact ND1-OD2 3.1Å; D183-D185 VanDerWaalsContact OD1-CB 3.24Å; D183-D185 WeakPolarHBondContact OD1-CB 3.27Å; D183-D185 PolarHBondContact OD1-N 2.82Å; D183-D185 VanDerWaalsContact OD1-N 3.08Å; D183-I205 PolarHBondContact N-O 3.46Å; D183-S206 WeakPolarHBondContact O-CA 3.38Å; D183-I207 PolarHBondContact O-N 3.37Å; D183-S274 VanDerWaalsContact CG-CB 3.41Å; D183-S274 WeakPolarHBondContact OD1-CB 3.33Å
184W98.8Very high98.3Very high0 Ų022.7 Ų22.70%012%0.117CC..  trans-112.89.9176.166.551.3000112.5V182 F255 V273 S274 A275 G276 F295 L298 L302 V330V182-W184 HydrophobicContact CG1-CE3 4.33Å; W184-F255 AromaticContact CE3-CZ 3.84Å; W184-F255 HydrophobicContact CE3-CZ 3.84Å; W184-F255 HydrophobicContact CZ3-CZ 4.12Å; W184-V273 HydrophobicContact CD2-CG1 3.66Å; W184-V273 HydrophobicContact CE3-CG1 3.55Å; W184-V273 HydrophobicContact CH2-CB 4.45Å; W184-V273 HydrophobicContact CH2-CG1 3.47Å; W184-V273 VanDerWaalsContact CH2-CG1 3.47Å; W184-V273 HydrophobicContact CH2-CG2 4.39Å; W184-V273 HydrophobicContact CZ2-CG1 3.53Å; W184-V273 HydrophobicContact CZ3-CB 4.49Å; W184-V273 HydrophobicContact CZ3-CG1 3.48Å; W184-V273 VanDerWaalsContact CZ3-CG1 3.48Å; W184-V273 HydrophobicContact CZ3-CG2 4.2Å; W184-S274 PolarHBondContact N-O 2.99Å; W184-A275 HydrophobicContact CZ2-CB 3.9Å; W184-A275 VanDerWaalsContact NE1-CA 3.35Å; W184-G276 PolarHBondContact NE1-O 2.84Å; W184-F295 HydrophobicContact CZ2-CD1 4.36Å; W184-F295 AromaticContact NE1-CD1 3.71Å; W184-F295 AromaticContact NE1-CE1 3.91Å; W184-L298 HydrophobicContact CD2-CD1 4.42Å; W184-L298 HydrophobicContact CE3-CB 4.21Å; W184-L298 HydrophobicContact CE3-CD1 4.23Å; W184-L298 HydrophobicContact CH2-CB 4.21Å; W184-L298 HydrophobicContact CZ3-CB 3.78Å; W184-L302 HydrophobicContact CZ3-CD1 3.98Å; W184-V330 HydrophobicContact CZ2-CG2 4.47Å
185D98.7Very high98.3Very high0 Ų023.4 Ų23.40%013%0.128CC..SBendtrans-57140.1165.4-168.2-69000109H147 D183 H187 G276 G316H147-D185 WeakPolarHBondContact CE1-CB 3.46Å; H147-D185 IonicContact CE1-OD1 3.23Å; H147-D185 PolarHBondContact CE1-OD1 2.83Å; H147-D185 IonicContact CE1-OD2 2.66Å; H147-D185 PolarHBondContact CE1-OD2 3.2Å; H147-D185 IonicContact NE2-OD1 3.1Å; H147-D185 IonicContact NE2-OD2 3.65Å; D183-D185 VanDerWaalsContact OD1-CB 3.24Å; D183-D185 WeakPolarHBondContact OD1-CB 3.27Å; D183-D185 PolarHBondContact OD1-N 2.82Å; D183-D185 VanDerWaalsContact OD1-N 3.08Å; D185-H187 PolarHBondContact O-N 3.03Å; D185-H187 IonicContact OD1-CG 3.83Å; D185-H187 PolarHBondContact OD1-N 2.8Å; D185-H187 IonicContact OD1-ND1 3.89Å; D185-H187 PolarHBondContact OD1-ND1 3.25Å; D185-G276 WeakPolarHBondContact OD2-CA 3.44Å; D185-G316 VanDerWaalsContact OD2-CA 3.3Å; D185-G316 WeakPolarHBondContact OD2-CA 3.46Å; D185-G316 PolarHBondContact OD2-N 2.9Å
186V98.4Very high98.4Very high0 Ų021.3 Ų21.30%010%0.104CC..SBendtrans-63.7-19.5-173.678.20000112H208 R209 D278 A279 M288V186-H208 CarbonylContact O-C 3.56Å; V186-H208 VanDerWaalsContact O-CA 3.25Å; V186-H208 WeakPolarHBondContact O-CA 3.32Å; V186-H208 WeakPolarHBondContact O-CB 3.28Å; V186-R209 HydrophobicContact CG2-CB 3.79Å; V186-R209 PolarHBondContact O-N 2.99Å; V186-D278 HydrophobicContact CG1-CB 3.88Å; V186-D278 WeakPolarHBondContact CG1-OD1 3.25Å; V186-D278 PolarHBondContact N-OD1 3.13Å; V186-A279 HydrophobicContact CB-CB 3.96Å; V186-A279 HydrophobicContact CG2-CB 4.05Å; V186-M288 HydrophobicContact CG2-CG 3.93Å
187H98.6Very high98.4Very high12 Ų1223.5 Ų23.56%0.05611%0.112CC..SBendtrans-96.5145.5178.8-53.295.2000111.9H148 D185 G189 F215 W216 D278H148-H187 WeakPolarHBondContact CE1-CB 3.4Å; D185-H187 PolarHBondContact O-N 3.03Å; D185-H187 IonicContact OD1-CG 3.83Å; D185-H187 PolarHBondContact OD1-N 2.8Å; D185-H187 IonicContact OD1-ND1 3.89Å; D185-H187 PolarHBondContact OD1-ND1 3.25Å; H187-G189 PolarHBondContact O-N 3.3Å; H187-F215 AromaticContact CD2-CE1 3.38Å; H187-F215 WeakPolarHBondContact CD2-CE1 3.35Å; H187-F215 AromaticContact CD2-CZ 3.55Å; H187-F215 AromaticContact NE2-CE1 3.75Å; H187-F215 AromaticContact NE2-CZ 3.4Å; H187-F215 WeakPolarHBondContact NE2-CZ 3.34Å; H187-W216 HydrophobicContact CB-CE3 4.36Å; H187-W216 HydrophobicContact CB-CZ3 4.13Å; H187-W216 AromaticContact CD2-CE3 3.7Å; H187-D278 IonicContact CE1-OD2 3.14Å; H187-D278 PolarHBondContact CE1-OD2 3.25Å; H187-D278 VanDerWaalsContact CE1-OD2 3.3Å; H187-D278 IonicContact ND1-OD2 2.72Å; H187-D278 PolarHBondContact ND1-OD2 3.24Å; H187-D278 VanDerWaalsContact ND1-OD2 3.14Å
188Y98.2Very high98.4Very high6 Ų623.9 Ų23.92%0.02411%0.109CC..  trans-58.2120.8176.6165-133.1000112.2H148 Q190 Q193 H208 P217 M219 E221 A222H148-Y188 PolarHBondContact CE1-O 2.93Å; H148-Y188 PolarHBondContact ND1-O 3.01Å; Y188-Q190 HydrophobicContact CD1-CB 3.76Å; Y188-Q190 HydrophobicContact CE1-CB 3.33Å; Y188-Q190 HydrophobicContact CE2-CB 4.38Å; Y188-Q190 HydrophobicContact CG-CB 4.47Å; Y188-Q190 VanDerWaalsContact CZ-CA 3.49Å; Y188-Q190 PolarHBondContact O-N 2.89Å; Y188-Q190 PolarHBondContact O-OE1 3.14Å; Y188-Q193 HydrophobicContact CE2-CB 4Å; Y188-Q193 HydrophobicContact CE2-CG 4.37Å; Y188-Q193 WeakPolarHBondContact OH-CG 3.28Å; Y188-Q193 PolarHBondContact OH-NE2 3.3Å; Y188-Q193 PolarHBondContact OH-OE1 3.5Å; Y188-H208 AromaticContact CD2-CE1 3.86Å; Y188-P217 HydrophobicContact CD1-CG 3.9Å; Y188-M219 HydrophobicContact CD1-CB 4.28Å; Y188-M219 HydrophobicContact CD1-SD 4.45Å; Y188-M219 HydrophobicContact CE1-CB 4.15Å; Y188-M219 HydrophobicContact CE1-SD 4.06Å; Y188-E221 HydrophobicContact CE1-CB 4.13Å; Y188-A222 HydrophobicContact CD1-CB 3.5Å; Y188-A222 HydrophobicContact CD2-CB 4.09Å; Y188-A222 HydrophobicContact CE1-CB 3.98Å; Y188-A222 HydrophobicContact CG-CB 3.57Å
189G96.9Very high98.4Very high3 Ų325.5 Ų25.53%0.03111%0.113CC..  trans-73.357.1177.500000114.9H187 G191 V192 Q193H187-G189 PolarHBondContact O-N 3.3Å; G189-G191 VanDerWaalsContact C-N 3.25Å; G189-G191 PolarHBondContact O-N 3.32Å; G189-V192 PolarHBondContact O-N 3.24Å; G189-Q193 PolarHBondContact O-N 3.35Å; G189-Q193 VanDerWaalsContact O-N 3.13Å
190Q97.8Very high98.4Very high1 Ų127.9 Ų27.91%0.00513%0.13CC..Hα-helixtrans-55.5-32.6-17679-73.644.700114.7H148 M150 Y188 K194 M219H148-Q190 PolarHBondContact ND1-NE2 2.86Å; H148-Q190 PolarHBondContact ND1-OE1 2.78Å; M150-Q190 HydrophobicContact CE-CG 4.19Å; M150-Q190 HydrophobicContact SD-CG 4.13Å; Y188-Q190 HydrophobicContact CD1-CB 3.76Å; Y188-Q190 HydrophobicContact CE1-CB 3.33Å; Y188-Q190 HydrophobicContact CE2-CB 4.38Å; Y188-Q190 HydrophobicContact CG-CB 4.47Å; Y188-Q190 VanDerWaalsContact CZ-CA 3.49Å; Y188-Q190 PolarHBondContact O-N 2.89Å; Y188-Q190 PolarHBondContact O-OE1 3.14Å; Q190-K194 VanDerWaalsContact O-CB 3.23Å; Q190-K194 WeakPolarHBondContact O-CB 3.27Å; Q190-K194 PolarHBondContact O-N 2.87Å; Q190-M219 HydrophobicContact CB-SD 4.03Å; Q190-M219 HydrophobicContact CG-SD 4.15Å
191G97.5Very high98.4Very high1 Ų130 Ų301%0.0114%0.142CC..Hα-helixtrans-62.4-51.1177.900000112F76 H147 G189 A195F76-G191 WeakPolarHBondContact CZ-O 3.45Å; H147-G191 WeakPolarHBondContact O-CA 3.48Å; H147-G191 PolarHBondContact O-N 3.04Å; G189-G191 VanDerWaalsContact C-N 3.25Å; G189-G191 PolarHBondContact O-N 3.32Å; G191-A195 PolarHBondContact O-N 3.44Å
192V97.6Very high98.3Very high4 Ų430 Ų302%0.02414%0.141CC..Hα-helixtrans-65.3-51.6179.7175.30000110.4I181 G189 K194 A195 F196I181-V192 HydrophobicContact CD1-CG1 3.69Å; I181-V192 HydrophobicContact CG2-CG1 4.13Å; G189-V192 PolarHBondContact O-N 3.24Å; V192-K194 VanDerWaalsContact C-N 3.33Å; V192-K194 PolarHBondContact O-N 3.44Å; V192-A195 PolarHBondContact O-N 3.44Å; V192-A195 VanDerWaalsContact O-N 3.16Å; V192-F196 HydrophobicContact CG1-CD2 3.81Å; V192-F196 HydrophobicContact CG1-CE2 4.08Å; V192-F196 WeakPolarHBondContact O-CD2 3.39Å; V192-F196 PolarHBondContact O-N 3.48Å
193Q98.4Very high98.3Very high8 Ų830 Ų304%0.03714%0.141CC..Hα-helixtrans-53.5-50.8179.3167.1163.9-34.800110.7Y188 G189 A195 F196 Y197 E221 N236 N238Y188-Q193 HydrophobicContact CE2-CB 4Å; Y188-Q193 HydrophobicContact CE2-CG 4.37Å; Y188-Q193 WeakPolarHBondContact OH-CG 3.28Å; Y188-Q193 PolarHBondContact OH-NE2 3.3Å; Y188-Q193 PolarHBondContact OH-OE1 3.5Å; G189-Q193 PolarHBondContact O-N 3.35Å; G189-Q193 VanDerWaalsContact O-N 3.13Å; Q193-A195 VanDerWaalsContact C-N 3.27Å; Q193-A195 PolarHBondContact O-N 2.85Å; Q193-F196 PolarHBondContact O-N 3.47Å; Q193-Y197 HydrophobicContact CG-CD2 3.71Å; Q193-Y197 HydrophobicContact CG-CE2 4.14Å; Q193-Y197 WeakPolarHBondContact O-CA 3.42Å; Q193-Y197 VanDerWaalsContact O-CB 3.28Å; Q193-Y197 WeakPolarHBondContact O-CB 3.49Å; Q193-Y197 PolarHBondContact O-N 3.43Å; Q193-E221 PolarHBondContact NE2-O 2.92Å; Q193-N236 WeakPolarHBondContact CG-OD1 3.25Å; Q193-N236 PolarHBondContact OE1-ND2 3.24Å; Q193-N236 PolarHBondContact OE1-OD1 3.23Å; Q193-N238 VanDerWaalsContact OE1-CG 3.31Å; Q193-N238 PolarHBondContact OE1-ND2 2.92Å; Q193-N238 PolarHBondContact OE1-OD1 2.71Å
194K98.1Very high98.3Very high137 Ų13730.1 Ų30.160%0.59614%0.143SC*.Hα-helixtrans-63.1-34.4-176-167.567.1171-165.50112.8M150 Q190 V192M150-K194 HydrophobicContact CE-CB 4.46Å; M150-K194 HydrophobicContact CE-CG 4.44Å; M150-K194 HydrophobicContact SD-CB 4.26Å; Q190-K194 VanDerWaalsContact O-CB 3.23Å; Q190-K194 WeakPolarHBondContact O-CB 3.27Å; Q190-K194 PolarHBondContact O-N 2.87Å; V192-K194 VanDerWaalsContact C-N 3.33Å; V192-K194 PolarHBondContact O-N 3.44Å
195A98.1Very high98.4Very high46 Ų4630.2 Ų30.238%0.3814%0.143SC..Hα-helixtrans-72.1-35-178.400000112.9F76 G191 V192 Q193F76-A195 HydrophobicContact CD2-CB 3.89Å; F76-A195 HydrophobicContact CE1-CB 4.49Å; F76-A195 HydrophobicContact CE2-CB 3.13Å; F76-A195 HydrophobicContact CZ-CB 3.51Å; G191-A195 PolarHBondContact O-N 3.44Å; V192-A195 PolarHBondContact O-N 3.44Å; V192-A195 VanDerWaalsContact O-N 3.16Å; Q193-A195 VanDerWaalsContact C-N 3.27Å; Q193-A195 PolarHBondContact O-N 2.85Å
196F98.6Very high98.4Very high9 Ų930.7 Ų30.74%0.03915%0.146CC..Hα-helixtrans-110.71-173.2-55.1-56.4000114.5F76 A167 I181 V192 Q193 R198 R199 V202F76-F196 HydrophobicContact CD2-CZ 4.28Å; F76-F196 HydrophobicContact CE2-CE2 4.27Å; F76-F196 HydrophobicContact CE2-CZ 4.29Å; A167-F196 HydrophobicContact CB-CE2 4.38Å; A167-F196 HydrophobicContact CB-CZ 3.99Å; I181-F196 HydrophobicContact CD1-CD2 3.98Å; I181-F196 HydrophobicContact CD1-CE2 3.74Å; V192-F196 HydrophobicContact CG1-CD2 3.81Å; V192-F196 HydrophobicContact CG1-CE2 4.08Å; V192-F196 WeakPolarHBondContact O-CD2 3.39Å; V192-F196 PolarHBondContact O-N 3.48Å; Q193-F196 PolarHBondContact O-N 3.47Å; F196-R198 PolarHBondContact O-N 3.46Å; F196-R199 WeakPolarHBondContact O-CB 3.23Å; F196-R199 PolarHBondContact O-N 3.39Å; F196-V202 HydrophobicContact CB-CB 4.07Å; F196-V202 HydrophobicContact CB-CG1 4.06Å; F196-V202 HydrophobicContact CD1-CB 4.32Å; F196-V202 HydrophobicContact CD1-CG1 4.39Å; F196-V202 HydrophobicContact CD1-CG2 3.97Å; F196-V202 HydrophobicContact CD2-CG1 3.92Å; F196-V202 HydrophobicContact CE1-CG2 4.32Å; F196-V202 HydrophobicContact CE2-CG1 4.46Å; F196-V202 HydrophobicContact CG-CB 4.1Å; F196-V202 HydrophobicContact CG-CG1 3.87Å; F196-V202 HydrophobicContact CG-CG2 4.25Å
197Y98.6Very high98.4Very high53 Ų5330.7 Ų30.721%0.20815%0.146CC..THydrogen-bonded Turntrans-50.6-20.5-176.5-154-114.7000116.8Q193 G228 C229 N236Q193-Y197 HydrophobicContact CG-CD2 3.71Å; Q193-Y197 HydrophobicContact CG-CE2 4.14Å; Q193-Y197 WeakPolarHBondContact O-CA 3.42Å; Q193-Y197 VanDerWaalsContact O-CB 3.28Å; Q193-Y197 WeakPolarHBondContact O-CB 3.49Å; Q193-Y197 PolarHBondContact O-N 3.43Å; Y197-G228 VanDerWaalsContact CZ-CA 3.45Å; Y197-G228 WeakPolarHBondContact O-CA 3.35Å; Y197-G228 PolarHBondContact OH-N 2.85Å; Y197-C229 HydrophobicContact CD1-CB 4.4Å; Y197-C229 VanDerWaalsContact CD1-SG 3.52Å; Y197-C229 HydrophobicContact CE1-CB 4.24Å; Y197-C229 PolarHBondContact O-N 3.4Å; Y197-N236 HydrophobicContact CD2-CB 4.04Å; Y197-N236 HydrophobicContact CE2-CB 4.03Å
198R98.7Very high98.4Very high151 Ų15130.1 Ų30.157%0.5714%0.144SC*.THydrogen-bonded Turntrans-106.57.6-177.6-67.2176.9174.3-111.4-3.5113.8F196 C229 F230 G232F196-R198 PolarHBondContact O-N 3.46Å; R198-C229 WeakPolarHBondContact CA-O 3.42Å; R198-F230 HydrophobicContact CG-CD2 4.17Å; R198-G232 PolarHBondContact O-N 2.86Å
199R98.6Very high98.4Very high97 Ų9731 Ų3137%0.36615%0.147SC..  trans-117.3136.1-168.6-64.1-173.676.497.4-1.5111.2F196 D201 F235F196-R199 WeakPolarHBondContact O-CB 3.23Å; F196-R199 PolarHBondContact O-N 3.39Å; R199-D201 WeakPolarHBondContact CB-OD1 3.13Å; R199-D201 IonicContact CZ-OD1 2.78Å; R199-D201 VanDerWaalsContact CZ-OD1 3.28Å; R199-D201 IonicContact CZ-OD2 3.93Å; R199-D201 IonicContact NE-OD1 3.54Å; R199-D201 PolarHBondContact NE-OD1 3.24Å; R199-D201 IonicContact NE-OD2 3.84Å; R199-D201 VanDerWaalsContact NH2-CG 3.29Å; R199-D201 IonicContact NH2-OD1 2.74Å; R199-D201 PolarHBondContact NH2-OD1 2.93Å; R199-D201 VanDerWaalsContact NH2-OD1 3.16Å; R199-D201 IonicContact NH2-OD2 3.16Å; R199-D201 PolarHBondContact NH2-OD2 2.99Å; R199-F235 WeakPolarHBondContact O-CB 3.46Å
200S98.5Very high98.4Very high50 Ų5031 Ų3135%0.3515%0.146SC..SBendtrans-93.7-16.1170.440.60000113.9V202 D231 F235 Y266S200-V202 PolarHBondContact O-N 3.35Å; S200-D231 WeakPolarHBondContact CB-O 3.41Å; S200-D231 PolarHBondContact OG-O 3.35Å; S200-F235 VanDerWaalsContact CB-CE2 3.43Å; S200-F235 WeakPolarHBondContact O-CD1 3.48Å; S200-F235 VanDerWaalsContact O-CE1 3.32Å; S200-F235 WeakPolarHBondContact O-CE1 3.26Å; S200-Y266 PolarHBondContact O-OH 3.49Å
201D98.7Very high98.3Very high45 Ų4533.3 Ų33.324%0.24116%0.157CC..SBendtrans-82.70.8175.866.9-17000113.3K177 K178 I179 R199 Y266K177-D201 VanDerWaalsContact O-CB 3.28Å; K177-D201 WeakPolarHBondContact O-CB 3.28Å; K178-D201 WeakPolarHBondContact CA-O 3.36Å; I179-D201 PolarHBondContact N-O 3.16Å; R199-D201 WeakPolarHBondContact CB-OD1 3.13Å; R199-D201 IonicContact CZ-OD1 2.78Å; R199-D201 VanDerWaalsContact CZ-OD1 3.28Å; R199-D201 IonicContact CZ-OD2 3.93Å; R199-D201 IonicContact NE-OD1 3.54Å; R199-D201 PolarHBondContact NE-OD1 3.24Å; R199-D201 IonicContact NE-OD2 3.84Å; R199-D201 VanDerWaalsContact NH2-CG 3.29Å; R199-D201 IonicContact NH2-OD1 2.74Å; R199-D201 PolarHBondContact NH2-OD1 2.93Å; R199-D201 VanDerWaalsContact NH2-OD1 3.16Å; R199-D201 IonicContact NH2-OD2 3.16Å; R199-D201 PolarHBondContact NH2-OD2 2.99Å; D201-Y266 PolarHBondContact O-OH 2.99Å
202V98.9Very high98.2Very high1 Ų136 Ų361%0.00617%0.17CC..EExtended strand (participates in β ladder)trans-133.4115.6168.5-171.80000109.1L171 I179 I181 F196 S200 Y266L171-V202 HydrophobicContact CD1-CG2 3.67Å; I179-V202 HydrophobicContact CB-CG1 4.4Å; I179-V202 HydrophobicContact CB-CG2 4.42Å; I179-V202 HydrophobicContact CG2-CG1 4.46Å; I179-V202 CarbonylContact O-C 3.47Å; I179-V202 WeakPolarHBondContact O-CA 3.39Å; I181-V202 HydrophobicContact CD1-CG1 3.73Å; I181-V202 HydrophobicContact CG1-CG1 4.14Å; F196-V202 HydrophobicContact CB-CB 4.07Å; F196-V202 HydrophobicContact CB-CG1 4.06Å; F196-V202 HydrophobicContact CD1-CB 4.32Å; F196-V202 HydrophobicContact CD1-CG1 4.39Å; F196-V202 HydrophobicContact CD1-CG2 3.97Å; F196-V202 HydrophobicContact CD2-CG1 3.92Å; F196-V202 HydrophobicContact CE1-CG2 4.32Å; F196-V202 HydrophobicContact CE2-CG1 4.46Å; F196-V202 HydrophobicContact CG-CB 4.1Å; F196-V202 HydrophobicContact CG-CG1 3.87Å; F196-V202 HydrophobicContact CG-CG2 4.25Å; S200-V202 PolarHBondContact O-N 3.35Å; V202-Y266 PolarHBondContact N-OH 3.34Å
203L98.9Very high98.1Very high0 Ų035.9 Ų35.90%017%0.169CC..EExtended strand (participates in β ladder)trans-92.7116.9169.8172.759.3000109I179 L180 I181 I205 F235 I237 I262 Y266 W368I179-L203 PolarHBondContact O-N 2.79Å; L180-L203 WeakPolarHBondContact CA-O 3.27Å; L180-L203 HydrophobicContact CD1-CB 4.26Å; L180-L203 HydrophobicContact CD1-CD2 3.84Å; L180-L203 HydrophobicContact CD1-CG 3.83Å; I181-L203 PolarHBondContact N-O 3.37Å; L203-I205 HydrophobicContact CD1-CG1 4.23Å; L203-I205 HydrophobicContact CD2-CD1 4.26Å; L203-I205 HydrophobicContact CG-CD1 4.33Å; L203-I205 HydrophobicContact CG-CG1 4.11Å; L203-F235 WeakPolarHBondContact CA-O 3.28Å; L203-F235 HydrophobicContact CB-CD1 4.49Å; L203-F235 HydrophobicContact CD1-CB 4.49Å; L203-F235 WeakPolarHBondContact CD1-O 3.37Å; L203-I237 HydrophobicContact CD1-CD1 3.95Å; L203-I237 HydrophobicContact CD1-CG1 4.24Å; L203-I262 HydrophobicContact CD2-CG2 3.69Å; L203-Y266 HydrophobicContact CB-CD1 3.81Å; L203-Y266 HydrophobicContact CB-CD2 4.5Å; L203-Y266 HydrophobicContact CB-CE1 3.58Å; L203-Y266 HydrophobicContact CB-CE2 4.3Å; L203-Y266 HydrophobicContact CB-CG 4.26Å; L203-Y266 HydrophobicContact CD2-CD1 3.74Å; L203-Y266 HydrophobicContact CD2-CD2 4.42Å; L203-Y266 HydrophobicContact CD2-CE1 4.39Å; L203-Y266 HydrophobicContact CD2-CG 3.74Å; L203-Y266 HydrophobicContact CG-CD1 4.45Å; L203-W368 HydrophobicContact CD1-CZ2 4.01Å; L203-W368 HydrophobicContact CD2-CH2 4.06Å; L203-W368 HydrophobicContact CD2-CZ2 4.19Å
204C98.9Very high98Very high8 Ų837.7 Ų37.75%0.05418%0.18CC..EExtended strand (participates in β ladder)trans-104.1126.5176.3-62.90000110F235 N236 I237C204-F235 PolarHBondContact N-O 3.29Å; C204-N236 CarbonylContact O-C 3.59Å; C204-I237 PolarHBondContact O-N 3.31Å
205I98.9Very high97.9Very high3 Ų332.2 Ų32.22%0.01516%0.157CC..EExtended strand (participates in β ladder)trans-126.2123.1174.7-48.6-175.5000108.4L180 I181 V182 D183 L203 I237 I239 I259L180-I205 HydrophobicContact CD1-CD1 3.86Å; L180-I205 HydrophobicContact CD1-CG1 4.05Å; I181-I205 PolarHBondContact O-N 2.76Å; V182-I205 CarbonylContact C-O 3.58Å; V182-I205 WeakPolarHBondContact CA-O 3.41Å; D183-I205 PolarHBondContact N-O 3.46Å; L203-I205 HydrophobicContact CD1-CG1 4.23Å; L203-I205 HydrophobicContact CD2-CD1 4.26Å; L203-I205 HydrophobicContact CG-CD1 4.33Å; L203-I205 HydrophobicContact CG-CG1 4.11Å; I205-I237 CarbonylContact C-O 3.57Å; I205-I237 VanDerWaalsContact CA-O 3.29Å; I205-I237 WeakPolarHBondContact CA-O 3.41Å; I205-I237 HydrophobicContact CB-CB 4.36Å; I205-I237 HydrophobicContact CD1-CD1 4.12Å; I205-I237 HydrophobicContact CG1-CB 4.11Å; I205-I237 HydrophobicContact CG1-CD1 4.1Å; I205-I237 HydrophobicContact CG1-CG1 4.43Å; I205-I237 HydrophobicContact CG2-CB 4.09Å; I205-I237 HydrophobicContact CG2-CG2 4.04Å; I205-I239 HydrophobicContact CG2-CD1 4.14Å; I205-I259 HydrophobicContact CD1-CG2 4.25Å; I205-I259 HydrophobicContact CG2-CD1 4.1Å; I205-I259 HydrophobicContact CG2-CG1 4.06Å
206S98.8Very high97.8Very high9 Ų931.9 Ų31.96%0.06315%0.146CC..EExtended strand (participates in β ladder)trans-123.9126.8177.4-1800000111D183 H208 I237 I239D183-S206 WeakPolarHBondContact O-CA 3.38Å; S206-H208 PolarHBondContact OG-ND1 3.2Å; S206-I237 PolarHBondContact N-O 2.88Å; S206-I239 PolarHBondContact O-N 3.43Å
207I98.8Very high97.7Very high0 Ų032.4 Ų32.40%015%0.15CC..EExtended strand (participates in β ladder)trans-99.2125.5165.8-53.4164000106.4D183 I239 L241 Y251 I254 F255 I259D183-I207 PolarHBondContact O-N 3.37Å; I207-I239 HydrophobicContact CG1-CB 4.4Å; I207-I239 HydrophobicContact CG1-CD1 4.15Å; I207-L241 HydrophobicContact CG2-CD1 3.75Å; I207-L241 HydrophobicContact CG2-CD2 4.27Å; I207-L241 HydrophobicContact CG2-CG 4.11Å; I207-Y251 HydrophobicContact CB-CE1 4.31Å; I207-Y251 HydrophobicContact CD1-CD1 4.06Å; I207-Y251 HydrophobicContact CD1-CE1 4.31Å; I207-Y251 HydrophobicContact CG2-CD1 4.27Å; I207-Y251 HydrophobicContact CG2-CE1 3.67Å; I207-Y251 HydrophobicContact CG2-CE2 4.49Å; I207-I254 HydrophobicContact CD1-CB 4.44Å; I207-I254 HydrophobicContact CD1-CG2 3.69Å; I207-I254 HydrophobicContact CG1-CG2 3.86Å; I207-I254 HydrophobicContact CG2-CD1 3.87Å; I207-F255 HydrophobicContact CD1-CD2 4.17Å; I207-F255 HydrophobicContact CD1-CE2 3.73Å; I207-I259 HydrophobicContact CD1-CD1 3.74Å; I207-I259 HydrophobicContact CG1-CD1 4.18Å
208H98.7Very high97.6Very high0 Ų032.5 Ų32.50%015%0.151CC..EExtended strand (participates in β ladder)trans-152146.1-179.345.9-94.6000111.2V186 Y188 S206 H210 A222 I239 L241V186-H208 CarbonylContact O-C 3.56Å; V186-H208 VanDerWaalsContact O-CA 3.25Å; V186-H208 WeakPolarHBondContact O-CA 3.32Å; V186-H208 WeakPolarHBondContact O-CB 3.28Å; Y188-H208 AromaticContact CD2-CE1 3.86Å; S206-H208 PolarHBondContact OG-ND1 3.2Å; H208-H210 PolarHBondContact O-N 3.41Å; H208-A222 PolarHBondContact NE2-O 2.91Å; H208-I239 PolarHBondContact N-O 3.05Å; H208-L241 WeakPolarHBondContact O-CG 3.05Å; H208-L241 PolarHBondContact O-N 3.18Å
209R97.8Very high97.5Very high24 Ų2428 Ų289%0.09114%0.137CC..EExtended strand (participates in β ladder)trans-59.6132.4163.1-177.8178.6168.7-162.6-3.6108V186 Q211 F215 G286 N287 M288V186-R209 HydrophobicContact CG2-CB 3.79Å; V186-R209 PolarHBondContact O-N 2.99Å; R209-Q211 HydrophobicContact CG-CG 4.22Å; R209-F215 HydrophobicContact CB-CD1 3.64Å; R209-F215 HydrophobicContact CB-CE1 3.73Å; R209-F215 HydrophobicContact CB-CG 4.33Å; R209-F215 HydrophobicContact CG-CB 4.16Å; R209-F215 HydrophobicContact CG-CD1 3.59Å; R209-F215 HydrophobicContact CG-CD2 4.33Å; R209-F215 HydrophobicContact CG-CE1 3.96Å; R209-F215 HydrophobicContact CG-CG 3.76Å; R209-F215 VanDerWaalsContact CZ-CE2 3.46Å; R209-F215 VanDerWaalsContact O-CD1 3.26Å; R209-F215 WeakPolarHBondContact O-CD1 3.46Å; R209-G286 VanDerWaalsContact CD-O 3.23Å; R209-G286 WeakPolarHBondContact CD-O 3.48Å; R209-G286 PolarHBondContact NH1-O 3.45Å; R209-G286 VanDerWaalsContact NH1-O 3.1Å; R209-N287 PolarHBondContact NH1-ND2 2.89Å; R209-M288 HydrophobicContact CB-CE 3.62Å; R209-M288 HydrophobicContact CG-CE 3.77Å
210H96.9Very high97.4Very high4 Ų428.4 Ų28.42%0.01914%0.139CC..  trans-130.8-38.6-177.6-17456.4000111.7H208 Q212 G213 T214 F215 M219 E223 P240 L241H208-H210 PolarHBondContact O-N 3.41Å; H210-Q212 PolarHBondContact O-N 2.94Å; H210-G213 PolarHBondContact CD2-N 3.1Å; H210-G213 VanDerWaalsContact CD2-N 3.35Å; H210-G213 WeakPolarHBondContact CE1-CA 3.44Å; H210-G213 PolarHBondContact CE1-N 3.25Å; H210-G213 VanDerWaalsContact CE1-N 3.32Å; H210-G213 PolarHBondContact NE2-N 3.3Å; H210-G213 VanDerWaalsContact NE2-N 3.13Å; H210-G213 WeakPolarHBondContact O-CA 3.46Å; H210-G213 PolarHBondContact O-N 2.63Å; H210-T214 PolarHBondContact O-N 3.1Å; H210-F215 PolarHBondContact O-N 3.07Å; H210-M219 PolarHBondContact CE1-O 2.86Å; H210-E223 IonicContact CD2-OE1 3.32Å; H210-E223 PolarHBondContact CD2-OE1 2.69Å; H210-E223 IonicContact CE1-OE1 3.8Å; H210-E223 VanDerWaalsContact NE2-CD 3.27Å; H210-E223 IonicContact NE2-OE1 3.7Å; H210-E223 PolarHBondContact NE2-OE1 3.01Å; H210-E223 IonicContact NE2-OE2 3.78Å; H210-P240 HydrophobicContact CB-CB 3.49Å; H210-P240 VanDerWaalsContact CB-CB 3.49Å; H210-L241 PolarHBondContact N-O 3.27Å
211Q95.9Very high97.3Very high50 Ų5030.1 Ų30.123%0.23414%0.141CC..G310 helixtrans43.251.4-176.3-66.1-176.7-92.300111.6R209 G213 T214 F215 L241 N242R209-Q211 HydrophobicContact CG-CG 4.22Å; Q211-G213 PolarHBondContact O-N 3.05Å; Q211-T214 VanDerWaalsContact CB-OG1 3.26Å; Q211-T214 WeakPolarHBondContact CB-OG1 3.23Å; Q211-T214 WeakPolarHBondContact O-CB 3.27Å; Q211-T214 WeakPolarHBondContact O-CG2 3.4Å; Q211-T214 PolarHBondContact O-N 2.88Å; Q211-T214 PolarHBondContact O-OG1 3.09Å; Q211-F215 HydrophobicContact CB-CB 4.32Å; Q211-L241 PolarHBondContact N-O 3.44Å; Q211-L241 VanDerWaalsContact N-O 3.11Å; Q211-N242 PolarHBondContact N-OD1 3.08Å
212Q95.8Very high97.3Very high58 Ų5828 Ų2827%0.27113%0.13SC..G310 helixtrans58.132.2179.4-64.5174.8-110.400113.6H210 T214 N242 P395 D396 L398 G399H210-Q212 PolarHBondContact O-N 2.94Å; Q212-T214 VanDerWaalsContact C-N 3.33Å; Q212-N242 HydrophobicContact CG-CB 4.31Å; Q212-N242 PolarHBondContact N-OD1 3.33Å; Q212-P395 HydrophobicContact CG-CB 3.79Å; Q212-D396 VanDerWaalsContact CB-O 3.29Å; Q212-D396 WeakPolarHBondContact CB-O 3.46Å; Q212-D396 PolarHBondContact NE2-O 3.44Å; Q212-L398 HydrophobicContact CB-CB 4.5Å; Q212-L398 HydrophobicContact CB-CD1 4.06Å; Q212-L398 HydrophobicContact CB-CG 3.95Å; Q212-L398 PolarHBondContact O-N 3.26Å; Q212-G399 PolarHBondContact O-N 3.29Å
213G96.3Very high97.2Very high0 Ų028.1 Ų28.10%013%0.131CC..G310 helixtrans82.47.1-179.100000114.7H210 Q211 F218 G399H210-G213 PolarHBondContact CD2-N 3.1Å; H210-G213 VanDerWaalsContact CD2-N 3.35Å; H210-G213 WeakPolarHBondContact CE1-CA 3.44Å; H210-G213 PolarHBondContact CE1-N 3.25Å; H210-G213 VanDerWaalsContact CE1-N 3.32Å; H210-G213 PolarHBondContact NE2-N 3.3Å; H210-G213 VanDerWaalsContact NE2-N 3.13Å; H210-G213 WeakPolarHBondContact O-CA 3.46Å; H210-G213 PolarHBondContact O-N 2.63Å; Q211-G213 PolarHBondContact O-N 3.05Å; G213-F218 VanDerWaalsContact O-CA 3.29Å; G213-F218 WeakPolarHBondContact O-CA 3.42Å; G213-F218 WeakPolarHBondContact O-CB 3.34Å; G213-G399 CarbonylContact O-C 3.47Å; G213-G399 VanDerWaalsContact O-CA 3.25Å; G213-G399 WeakPolarHBondContact O-CA 3.4Å
214T96.7Very high97.2Very high46 Ų4630 Ų3028%0.28214%0.138SC..THydrogen-bonded Turntrans-87.3-10.6175.465.30000113.1H210 Q211 Q212 F218 L398 G399H210-T214 PolarHBondContact O-N 3.1Å; Q211-T214 VanDerWaalsContact CB-OG1 3.26Å; Q211-T214 WeakPolarHBondContact CB-OG1 3.23Å; Q211-T214 WeakPolarHBondContact O-CB 3.27Å; Q211-T214 WeakPolarHBondContact O-CG2 3.4Å; Q211-T214 PolarHBondContact O-N 2.88Å; Q211-T214 PolarHBondContact O-OG1 3.09Å; Q212-T214 VanDerWaalsContact C-N 3.33Å; T214-F218 WeakPolarHBondContact O-CD1 3.46Å; T214-F218 WeakPolarHBondContact O-CE1 3.43Å; T214-L398 HydrophobicContact CG2-CB 3.69Å; T214-L398 HydrophobicContact CG2-CD1 3.93Å; T214-L398 HydrophobicContact CG2-CG 4.42Å; T214-G399 WeakPolarHBondContact CG2-O 3.38Å
215F95.9Very high97.1Very high23 Ų2332.2 Ų32.210%0.10115%0.149CC..SBendtrans-96.4145.8172.1-174.5-112.2000111.4H187 R209 H210 Q211 F218 E285H187-F215 AromaticContact CD2-CE1 3.38Å; H187-F215 WeakPolarHBondContact CD2-CE1 3.35Å; H187-F215 AromaticContact CD2-CZ 3.55Å; H187-F215 AromaticContact NE2-CE1 3.75Å; H187-F215 AromaticContact NE2-CZ 3.4Å; H187-F215 WeakPolarHBondContact NE2-CZ 3.34Å; R209-F215 HydrophobicContact CB-CD1 3.64Å; R209-F215 HydrophobicContact CB-CE1 3.73Å; R209-F215 HydrophobicContact CB-CG 4.33Å; R209-F215 HydrophobicContact CG-CB 4.16Å; R209-F215 HydrophobicContact CG-CD1 3.59Å; R209-F215 HydrophobicContact CG-CD2 4.33Å; R209-F215 HydrophobicContact CG-CE1 3.96Å; R209-F215 HydrophobicContact CG-CG 3.76Å; R209-F215 VanDerWaalsContact CZ-CE2 3.46Å; R209-F215 VanDerWaalsContact O-CD1 3.26Å; R209-F215 WeakPolarHBondContact O-CD1 3.46Å; H210-F215 PolarHBondContact O-N 3.07Å; Q211-F215 HydrophobicContact CB-CB 4.32Å; F215-F218 VanDerWaalsContact C-CD1 3.49Å; F215-F218 WeakPolarHBondContact O-CA 3.24Å; F215-F218 WeakPolarHBondContact O-CD1 3.48Å; F215-F218 PolarHBondContact O-N 3.13Å; F215-E285 WeakPolarHBondContact CZ-O 3.36Å
216W96Very high97.1Very high39 Ų3934.7 Ų34.715%0.14816%0.158CC..THydrogen-bonded Turntrans-60.5134.7-177.1-17598.8000110.3D104 H148 N155 H187 F218D104-W216 PolarHBondContact OD2-NE1 2.8Å; H148-W216 AromaticContact CD2-CH2 3.65Å; H148-W216 AromaticContact CD2-CZ3 3.79Å; H148-W216 AromaticContact CE1-CH2 3.85Å; H148-W216 AromaticContact CE1-CZ3 3.42Å; H148-W216 VanDerWaalsContact CE1-CZ3 3.42Å; H148-W216 WeakPolarHBondContact CE1-CZ3 3.27Å; H148-W216 AromaticContact CG-CH2 3.79Å; H148-W216 AromaticContact ND1-CH2 3.9Å; H148-W216 AromaticContact ND1-CZ3 3.92Å; H148-W216 AromaticContact NE2-CH2 3.65Å; H148-W216 AromaticContact NE2-CZ3 3.27Å; H148-W216 VanDerWaalsContact NE2-CZ3 3.27Å; H148-W216 WeakPolarHBondContact NE2-CZ3 3.46Å; N155-W216 WeakPolarHBondContact OD1-CZ2 3.42Å; H187-W216 HydrophobicContact CB-CE3 4.36Å; H187-W216 HydrophobicContact CB-CZ3 4.13Å; H187-W216 AromaticContact CD2-CE3 3.7Å; W216-F218 HydrophobicContact CB-CE1 4.2Å; W216-F218 HydrophobicContact CB-CE2 4.01Å; W216-F218 HydrophobicContact CB-CZ 3.78Å; W216-F218 AromaticContact CD1-CE2 3.52Å; W216-F218 HydrophobicContact CG-CE2 4.09Å; W216-F218 HydrophobicContact CG-CZ 4.32Å
217P96.2Very high97Very high19 Ų1935.5 Ų35.512%0.12316%0.163CC..THydrogen-bonded Turncis-93.51816.537.5-38000116.2Y188 M219Y188-P217 HydrophobicContact CD1-CG 3.9Å; P217-M219 VanDerWaalsContact C-N 3.33Å; P217-M219 HydrophobicContact CB-CG 4.27Å; P217-M219 HydrophobicContact CB-SD 4.49Å; P217-M219 HydrophobicContact CG-CG 4.12Å; P217-M219 HydrophobicContact CG-SD 4.25Å; P217-M219 WeakPolarHBondContact O-CG 3.35Å; P217-M219 PolarHBondContact O-N 3.38Å
218F95.8Very high97Very high56 Ų5636 Ų3625%0.24617%0.168CC..  trans61.531.5174.6-35.1-73.3000115.5G213 T214 F215 W216 R400G213-F218 VanDerWaalsContact O-CA 3.29Å; G213-F218 WeakPolarHBondContact O-CA 3.42Å; G213-F218 WeakPolarHBondContact O-CB 3.34Å; T214-F218 WeakPolarHBondContact O-CD1 3.46Å; T214-F218 WeakPolarHBondContact O-CE1 3.43Å; F215-F218 VanDerWaalsContact C-CD1 3.49Å; F215-F218 WeakPolarHBondContact O-CA 3.24Å; F215-F218 WeakPolarHBondContact O-CD1 3.48Å; F215-F218 PolarHBondContact O-N 3.13Å; W216-F218 HydrophobicContact CB-CE1 4.2Å; W216-F218 HydrophobicContact CB-CE2 4.01Å; W216-F218 HydrophobicContact CB-CZ 3.78Å; W216-F218 AromaticContact CD1-CE2 3.52Å; W216-F218 HydrophobicContact CG-CE2 4.09Å; W216-F218 HydrophobicContact CG-CZ 4.32Å; F218-R400 HydrophobicContact CB-CB 3.89Å; F218-R400 HydrophobicContact CD1-CB 4.22Å; F218-R400 HydrophobicContact CD1-CG 4.27Å; F218-R400 HydrophobicContact CD2-CB 4.27Å; F218-R400 HydrophobicContact CD2-CG 4.14Å; F218-R400 HydrophobicContact CE1-CG 4.47Å; F218-R400 HydrophobicContact CE2-CG 4.34Å; F218-R400 HydrophobicContact CG-CB 3.88Å; F218-R400 HydrophobicContact CG-CG 4.1Å
219M96Very high97Very high56 Ų5637.3 Ų37.328%0.27618%0.177SC..  trans-102132.7-171.2-69.2-171.5159.900112.7Y188 Q190 H210 P217 E221 A222Y188-M219 HydrophobicContact CD1-CB 4.28Å; Y188-M219 HydrophobicContact CD1-SD 4.45Å; Y188-M219 HydrophobicContact CE1-CB 4.15Å; Y188-M219 HydrophobicContact CE1-SD 4.06Å; Q190-M219 HydrophobicContact CB-SD 4.03Å; Q190-M219 HydrophobicContact CG-SD 4.15Å; H210-M219 PolarHBondContact CE1-O 2.86Å; P217-M219 VanDerWaalsContact C-N 3.33Å; P217-M219 HydrophobicContact CB-CG 4.27Å; P217-M219 HydrophobicContact CB-SD 4.49Å; P217-M219 HydrophobicContact CG-CG 4.12Å; P217-M219 HydrophobicContact CG-SD 4.25Å; P217-M219 WeakPolarHBondContact O-CG 3.35Å; P217-M219 PolarHBondContact O-N 3.38Å; M219-E221 HydrophobicContact CB-CB 4.43Å; M219-E221 PolarHBondContact O-N 2.89Å; M219-A222 VanDerWaalsContact O-CB 3.31Å; M219-A222 WeakPolarHBondContact O-CB 3.31Å; M219-A222 PolarHBondContact O-N 3.26Å; M219-A222 VanDerWaalsContact O-N 3.15Å
220R96.8Very high97Very high106 Ų10642.5 Ų42.540%0.420%0.2SC..G310 helixtrans-66.3-19.6170.6-163.4-177.2178-99.2-38.1111.8A222 E223 D225 R226 F397R220-A222 PolarHBondContact O-N 3.23Å; R220-E223 HydrophobicContact CG-CG 4.15Å; R220-E223 WeakPolarHBondContact O-CB 3.25Å; R220-E223 WeakPolarHBondContact O-CG 3.33Å; R220-E223 PolarHBondContact O-N 3.08Å; R220-D225 IonicContact CZ-OD2 4Å; R220-D225 IonicContact NH2-OD1 3.94Å; R220-D225 IonicContact NH2-OD2 2.68Å; R220-D225 PolarHBondContact NH2-OD2 3.38Å; R220-R226 VanDerWaalsContact CD-NH2 3.32Å; R220-R226 PolarHBondContact O-NE 3.22Å; R220-F397 VanDerWaalsContact CA-CE2 3.44Å; R220-F397 HydrophobicContact CB-CD1 4.23Å; R220-F397 HydrophobicContact CB-CD2 4.15Å; R220-F397 HydrophobicContact CB-CE1 3.96Å; R220-F397 HydrophobicContact CB-CE2 3.86Å; R220-F397 HydrophobicContact CB-CG 4.32Å; R220-F397 HydrophobicContact CB-CZ 3.76Å; R220-F397 HydrophobicContact CG-CD1 4.21Å; R220-F397 HydrophobicContact CG-CD2 4.09Å; R220-F397 HydrophobicContact CG-CE1 4.44Å; R220-F397 HydrophobicContact CG-CE2 4.33Å; R220-F397 HydrophobicContact CG-CG 4.02Å; R220-F397 HydrophobicContact CG-CZ 4.5Å
221E97.6Very high97.1Very high85 Ų8548.4 Ų48.440%0.39723%0.232SC..G310 helixtrans-66.1-15.4174.8-71.885.2163.800113.4Y188 Q193 M219 E223 R226 N238Y188-E221 HydrophobicContact CE1-CB 4.13Å; Q193-E221 PolarHBondContact NE2-O 2.92Å; M219-E221 HydrophobicContact CB-CB 4.43Å; M219-E221 PolarHBondContact O-N 2.89Å; E221-E223 VanDerWaalsContact C-N 3.31Å; E221-R226 WeakPolarHBondContact O-CG 3.44Å; E221-N238 PolarHBondContact O-ND2 3.16Å
222A97.9Very high97.2Very high0 Ų046 Ų460%022%0.221CC..G310 helixtrans-81.2-7.217500000113.2Y188 H208 M219 R220 N238Y188-A222 HydrophobicContact CD1-CB 3.5Å; Y188-A222 HydrophobicContact CD2-CB 4.09Å; Y188-A222 HydrophobicContact CE1-CB 3.98Å; Y188-A222 HydrophobicContact CG-CB 3.57Å; H208-A222 PolarHBondContact NE2-O 2.91Å; M219-A222 VanDerWaalsContact O-CB 3.31Å; M219-A222 WeakPolarHBondContact O-CB 3.31Å; M219-A222 PolarHBondContact O-N 3.26Å; M219-A222 VanDerWaalsContact O-N 3.15Å; R220-A222 PolarHBondContact O-N 3.23Å; A222-N238 VanDerWaalsContact O-CB 3.27Å; A222-N238 WeakPolarHBondContact O-CB 3.15Å
223E97.8Very high97.3Very high5 Ų548.1 Ų48.12%0.02323%0.231CC..SBendtrans-68.5155.5-176.7-72.5-68.7171.900113.5H210 R220 E221 D225 R226 N238 F397H210-E223 IonicContact CD2-OE1 3.32Å; H210-E223 PolarHBondContact CD2-OE1 2.69Å; H210-E223 IonicContact CE1-OE1 3.8Å; H210-E223 VanDerWaalsContact NE2-CD 3.27Å; H210-E223 IonicContact NE2-OE1 3.7Å; H210-E223 PolarHBondContact NE2-OE1 3.01Å; H210-E223 IonicContact NE2-OE2 3.78Å; R220-E223 HydrophobicContact CG-CG 4.15Å; R220-E223 WeakPolarHBondContact O-CB 3.25Å; R220-E223 WeakPolarHBondContact O-CG 3.33Å; R220-E223 PolarHBondContact O-N 3.08Å; E221-E223 VanDerWaalsContact C-N 3.31Å; E223-D225 VanDerWaalsContact CB-OD1 3.23Å; E223-D225 WeakPolarHBondContact CB-OD1 3.35Å; E223-D225 PolarHBondContact O-N 3.33Å; E223-R226 HydrophobicContact CB-CG 4.06Å; E223-R226 VanDerWaalsContact O-CB 3.26Å; E223-R226 WeakPolarHBondContact O-CB 3.41Å; E223-R226 VanDerWaalsContact O-CG 3.24Å; E223-R226 WeakPolarHBondContact O-CG 3.38Å; E223-R226 PolarHBondContact O-N 3.32Å; E223-R226 VanDerWaalsContact O-N 3.15Å; E223-N238 WeakPolarHBondContact O-CB 3.43Å; E223-N238 PolarHBondContact O-ND2 3.11Å; E223-F397 HydrophobicContact CG-CD2 4.32Å; E223-F397 WeakPolarHBondContact OE1-CD2 3.14Å
224W97.5Very high97.5Very high40 Ų4048.1 Ų48.115%0.15223%0.231CC..THydrogen-bonded Turntrans-61.7-25.8179.362.7-88.5000113.2R226 P240 L359 A363 V394W224-R226 PolarHBondContact O-N 3.36Å; W224-P240 HydrophobicContact CB-CG 4.04Å; W224-L359 HydrophobicContact CD2-CB 3.73Å; W224-L359 HydrophobicContact CD2-CD1 4.37Å; W224-L359 HydrophobicContact CD2-CG 4.5Å; W224-L359 HydrophobicContact CE3-CB 3.82Å; W224-L359 HydrophobicContact CG-CB 4.15Å; W224-L359 HydrophobicContact CH2-CD2 4.02Å; W224-L359 HydrophobicContact CZ2-CB 4.43Å; W224-L359 HydrophobicContact CZ2-CD1 4.32Å; W224-L359 HydrophobicContact CZ2-CD2 3.92Å; W224-L359 HydrophobicContact CZ2-CG 4.46Å; W224-L359 HydrophobicContact CZ3-CB 4.21Å; W224-L359 HydrophobicContact CZ3-CD2 4.45Å; W224-L359 WeakPolarHBondContact CZ3-O 3.27Å; W224-A363 HydrophobicContact CE3-CB 3.79Å; W224-A363 HydrophobicContact CZ3-CB 3.86Å; W224-V394 HydrophobicContact CZ2-CG1 3.93Å; W224-V394 HydrophobicContact CZ2-CG2 4.05Å
225D97Very high97.6Very high54 Ų5448.2 Ų48.229%0.28923%0.227SC..THydrogen-bonded Turntrans-78.60.4179.475.6-24.7000113.2R220 E223 T227R220-D225 IonicContact CZ-OD2 4Å; R220-D225 IonicContact NH2-OD1 3.94Å; R220-D225 IonicContact NH2-OD2 2.68Å; R220-D225 PolarHBondContact NH2-OD2 3.38Å; E223-D225 VanDerWaalsContact CB-OD1 3.23Å; E223-D225 WeakPolarHBondContact CB-OD1 3.35Å; E223-D225 PolarHBondContact O-N 3.33Å; D225-T227 PolarHBondContact O-N 2.86Å
226R98.2Very high97.7Very high55 Ų5547.3 Ų47.321%0.20822%0.224CC..  trans-92.972-176.2-54.3-51-164.2-179.617111.5R220 E221 E223 W224 G228 N236R220-R226 VanDerWaalsContact CD-NH2 3.32Å; R220-R226 PolarHBondContact O-NE 3.22Å; E221-R226 WeakPolarHBondContact O-CG 3.44Å; E223-R226 HydrophobicContact CB-CG 4.06Å; E223-R226 VanDerWaalsContact O-CB 3.26Å; E223-R226 WeakPolarHBondContact O-CB 3.41Å; E223-R226 VanDerWaalsContact O-CG 3.24Å; E223-R226 WeakPolarHBondContact O-CG 3.38Å; E223-R226 PolarHBondContact O-N 3.32Å; E223-R226 VanDerWaalsContact O-N 3.15Å; W224-R226 PolarHBondContact O-N 3.36Å; R226-G228 PolarHBondContact O-N 3.31Å; R226-N236 PolarHBondContact O-ND2 2.91Å
227T98.5Very high97.8Very high26 Ų2645.5 Ų45.516%0.1622%0.217CC..  trans-89.25.3-169.358.30000116.4D225 G234 F235 N236 A363 L364D225-T227 PolarHBondContact O-N 2.86Å; T227-G234 WeakPolarHBondContact O-CA 3.49Å; T227-G234 PolarHBondContact O-N 2.89Å; T227-F235 PolarHBondContact O-N 3Å; T227-N236 CarbonylContact C-O 3.54Å; T227-N236 VanDerWaalsContact CA-O 3.24Å; T227-N236 WeakPolarHBondContact CA-O 3.45Å; T227-N236 PolarHBondContact O-N 2.92Å; T227-A363 HydrophobicContact CG2-CB 3.84Å; T227-L364 HydrophobicContact CG2-CD2 3.89Å
228G98.6Very high98Very high11 Ų1144.7 Ų44.711%0.11321%0.211CC..  trans109.7-174.4-175.800000112.2Y197 R226Y197-G228 VanDerWaalsContact CZ-CA 3.45Å; Y197-G228 WeakPolarHBondContact O-CA 3.35Å; Y197-G228 PolarHBondContact OH-N 2.85Å; R226-G228 PolarHBondContact O-N 3.31Å
229C98.4Very high98.1Very high27 Ų2742 Ų4218%0.18220%0.2CC..  trans-151159.6170.759.80000112.7Y197 R198 D231 G232Y197-C229 HydrophobicContact CD1-CB 4.4Å; Y197-C229 VanDerWaalsContact CD1-SG 3.52Å; Y197-C229 HydrophobicContact CE1-CB 4.24Å; Y197-C229 PolarHBondContact O-N 3.4Å; R198-C229 WeakPolarHBondContact CA-O 3.42Å; C229-D231 PolarHBondContact O-N 2.71Å; C229-G232 PolarHBondContact O-N 2.95Å
230F98Very high98.2Very high132 Ų13239.3 Ų39.358%0.57919%0.187SC*.G310 helixtrans55.4-131.4-175.2-51.9-91.1000110R198 G232 E233R198-F230 HydrophobicContact CG-CD2 4.17Å; F230-G232 PolarHBondContact O-N 3.03Å; F230-G232 VanDerWaalsContact O-N 3.08Å; F230-E233 WeakPolarHBondContact O-CG 3.34Å; F230-E233 PolarHBondContact O-N 2.91Å
231D98.2Very high98.3Very high128 Ų12834.4 Ų34.468%0.68417%0.168SC*.G310 helixtrans-63.4-15.6177.9-57.2-26.1000113.1S200 C229S200-D231 WeakPolarHBondContact CB-O 3.41Å; S200-D231 PolarHBondContact OG-O 3.35Å; C229-D231 PolarHBondContact O-N 2.71Å
232G98.6Very high98.2Very high1 Ų131.6 Ų31.61%0.0116%0.156CC..G310 helixtrans-87.60.4177.800000115.3R198 C229 F230 G234 F235R198-G232 PolarHBondContact O-N 2.86Å; C229-G232 PolarHBondContact O-N 2.95Å; F230-G232 PolarHBondContact O-N 3.03Å; F230-G232 VanDerWaalsContact O-N 3.08Å; G232-G234 PolarHBondContact O-N 2.79Å; G232-F235 WeakPolarHBondContact O-CB 3.36Å; G232-F235 PolarHBondContact O-N 3.42Å
233E98.5Very high98.1Very high101 Ų10135 Ų3547%0.47217%0.174SC..THydrogen-bonded Turntrans-60.7125178.3-72.2-179.2-174.600112.1F230 F235 H367F230-E233 WeakPolarHBondContact O-CG 3.34Å; F230-E233 PolarHBondContact O-N 2.91Å; E233-F235 VanDerWaalsContact C-N 3.32Å; E233-F235 VanDerWaalsContact O-CD2 3.3Å; E233-F235 WeakPolarHBondContact O-CD2 3.31Å; E233-H367 PolarHBondContact O-ND1 2.81Å
234G98.6Very high98Very high0 Ų037.4 Ų37.40%019%0.187CC..THydrogen-bonded Turntrans86.2-6.2-174.100000114.5T227 G232 W368T227-G234 WeakPolarHBondContact O-CA 3.49Å; T227-G234 PolarHBondContact O-N 2.89Å; G232-G234 PolarHBondContact O-N 2.79Å; G234-W368 PolarHBondContact O-NE1 3.05Å
235F98.8Very high97.8Very high48 Ų4838.8 Ų38.821%0.21120%0.197CC..SBendtrans-1023.3-177.9-63.1-91.2000113.8R199 S200 L203 C204 T227 G232 E233 Y266 W368R199-F235 WeakPolarHBondContact O-CB 3.46Å; S200-F235 VanDerWaalsContact CB-CE2 3.43Å; S200-F235 WeakPolarHBondContact O-CD1 3.48Å; S200-F235 VanDerWaalsContact O-CE1 3.32Å; S200-F235 WeakPolarHBondContact O-CE1 3.26Å; L203-F235 WeakPolarHBondContact CA-O 3.28Å; L203-F235 HydrophobicContact CB-CD1 4.49Å; L203-F235 HydrophobicContact CD1-CB 4.49Å; L203-F235 WeakPolarHBondContact CD1-O 3.37Å; C204-F235 PolarHBondContact N-O 3.29Å; T227-F235 PolarHBondContact O-N 3Å; G232-F235 WeakPolarHBondContact O-CB 3.36Å; G232-F235 PolarHBondContact O-N 3.42Å; E233-F235 VanDerWaalsContact C-N 3.32Å; E233-F235 VanDerWaalsContact O-CD2 3.3Å; E233-F235 WeakPolarHBondContact O-CD2 3.31Å; F235-Y266 HydrophobicContact CD1-CD2 4.42Å; F235-Y266 AromaticContact CD1-CE2 3.93Å; F235-Y266 HydrophobicContact CD1-CE2 3.93Å; F235-Y266 AromaticContact CE1-CD2 3.98Å; F235-Y266 HydrophobicContact CE1-CD2 3.98Å; F235-Y266 AromaticContact CE1-CE2 3.61Å; F235-Y266 HydrophobicContact CE1-CE2 3.61Å; F235-W368 HydrophobicContact CD1-CH2 4.41Å; F235-W368 HydrophobicContact CD1-CZ2 4.19Å; F235-W368 HydrophobicContact CE1-CH2 4.11Å; F235-W368 HydrophobicContact CE1-CZ2 4.2Å
236N98.9Very high97.8Very high4 Ų436.2 Ų36.22%0.02118%0.183CC..EExtended strand (participates in β ladder)trans-114.4129164.1-168.883.1000109.2Q193 Y197 C204 R226 T227Q193-N236 WeakPolarHBondContact CG-OD1 3.25Å; Q193-N236 PolarHBondContact OE1-ND2 3.24Å; Q193-N236 PolarHBondContact OE1-OD1 3.23Å; Y197-N236 HydrophobicContact CD2-CB 4.04Å; Y197-N236 HydrophobicContact CE2-CB 4.03Å; C204-N236 CarbonylContact O-C 3.59Å; R226-N236 PolarHBondContact O-ND2 2.91Å; T227-N236 CarbonylContact C-O 3.54Å; T227-N236 VanDerWaalsContact CA-O 3.24Å; T227-N236 WeakPolarHBondContact CA-O 3.45Å; T227-N236 PolarHBondContact O-N 2.92Å
237I98.8Very high97.6Very high2 Ų235.7 Ų35.71%0.0118%0.184CC..EExtended strand (participates in β ladder)trans-131.2115.4-178.2-56.7179.7000108.2L203 C204 I205 S206 I239 I258 I262 T360 L364L203-I237 HydrophobicContact CD1-CD1 3.95Å; L203-I237 HydrophobicContact CD1-CG1 4.24Å; C204-I237 PolarHBondContact O-N 3.31Å; I205-I237 CarbonylContact C-O 3.57Å; I205-I237 VanDerWaalsContact CA-O 3.29Å; I205-I237 WeakPolarHBondContact CA-O 3.41Å; I205-I237 HydrophobicContact CB-CB 4.36Å; I205-I237 HydrophobicContact CD1-CD1 4.12Å; I205-I237 HydrophobicContact CG1-CB 4.11Å; I205-I237 HydrophobicContact CG1-CD1 4.1Å; I205-I237 HydrophobicContact CG1-CG1 4.43Å; I205-I237 HydrophobicContact CG2-CB 4.09Å; I205-I237 HydrophobicContact CG2-CG2 4.04Å; S206-I237 PolarHBondContact N-O 2.88Å; I237-I239 HydrophobicContact CG2-CD1 4.47Å; I237-I239 HydrophobicContact CG2-CG1 4.17Å; I237-I258 HydrophobicContact CG2-CG2 4.18Å; I237-I262 HydrophobicContact CD1-CD1 3.44Å; I237-I262 VanDerWaalsContact CD1-CD1 3.44Å; I237-I262 HydrophobicContact CD1-CG2 3.94Å; I237-T360 HydrophobicContact CG2-CG2 3.9Å; I237-L364 HydrophobicContact CB-CD1 4.46Å; I237-L364 HydrophobicContact CD1-CD1 3.67Å; I237-L364 HydrophobicContact CD1-CD2 4.45Å; I237-L364 HydrophobicContact CG1-CD1 3.8Å; I237-L364 HydrophobicContact CG1-CD2 4.08Å; I237-L364 HydrophobicContact CG2-CD1 3.94Å
238N98.8Very high97.6Very high1 Ų135.3 Ų35.31%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-106.7137.7172.6-71.2-25.7000109.9Q193 E221 A222 E223 P240Q193-N238 VanDerWaalsContact OE1-CG 3.31Å; Q193-N238 PolarHBondContact OE1-ND2 2.92Å; Q193-N238 PolarHBondContact OE1-OD1 2.71Å; E221-N238 PolarHBondContact O-ND2 3.16Å; A222-N238 VanDerWaalsContact O-CB 3.27Å; A222-N238 WeakPolarHBondContact O-CB 3.15Å; E223-N238 WeakPolarHBondContact O-CB 3.43Å; E223-N238 PolarHBondContact O-ND2 3.11Å; N238-P240 VanDerWaalsContact C-CD 3.47Å; N238-P240 WeakPolarHBondContact O-CD 3.28Å
239I98.7Very high97.5Very high0 Ų036.4 Ų36.40%018%0.183CC..EExtended strand (participates in β ladder)trans-122.879.2178-49.6-179.8000106.9I205 S206 I207 H208 I237 L241 I254 I258 I259 I356I205-I239 HydrophobicContact CG2-CD1 4.14Å; S206-I239 PolarHBondContact O-N 3.43Å; I207-I239 HydrophobicContact CG1-CB 4.4Å; I207-I239 HydrophobicContact CG1-CD1 4.15Å; H208-I239 PolarHBondContact N-O 3.05Å; I237-I239 HydrophobicContact CG2-CD1 4.47Å; I237-I239 HydrophobicContact CG2-CG1 4.17Å; I239-L241 HydrophobicContact CG2-CD2 4.36Å; I239-L241 PolarHBondContact O-N 3.1Å; I239-I254 HydrophobicContact CD1-CG2 3.37Å; I239-I254 HydrophobicContact CG2-CD1 3.99Å; I239-I254 HydrophobicContact CG2-CG1 4.17Å; I239-I254 HydrophobicContact CG2-CG2 4.26Å; I239-I258 HydrophobicContact CD1-CB 4.26Å; I239-I258 HydrophobicContact CD1-CD1 3.87Å; I239-I258 HydrophobicContact CD1-CG2 3.95Å; I239-I258 HydrophobicContact CG1-CD1 4.38Å; I239-I259 HydrophobicContact CD1-CG1 4.5Å; I239-I356 HydrophobicContact CG2-CG2 3.93Å
240P98.2Very high97.4Very high0 Ų035.1 Ų35.10%017%0.174CC..EExtended strand (participates in β ladder)trans-76.4113.8-175.329.3-33.8000110.9H210 W224 N238 N242 I356H210-P240 HydrophobicContact CB-CB 3.49Å; H210-P240 VanDerWaalsContact CB-CB 3.49Å; W224-P240 HydrophobicContact CB-CG 4.04Å; N238-P240 VanDerWaalsContact C-CD 3.47Å; N238-P240 WeakPolarHBondContact O-CD 3.28Å; P240-N242 PolarHBondContact O-N 3.43Å; P240-I356 HydrophobicContact CG-CD1 4.31Å; P240-I356 WeakPolarHBondContact O-CG1 3.42Å
241L98.2Very high97.4Very high2 Ų228.9 Ų28.91%0.0115%0.147CC..EExtended strand (participates in β ladder)trans-83113.1178.1-50.5178.1000109.4I207 H208 H210 Q211 I239 L246 Y251 I254 M288 L353I207-L241 HydrophobicContact CG2-CD1 3.75Å; I207-L241 HydrophobicContact CG2-CD2 4.27Å; I207-L241 HydrophobicContact CG2-CG 4.11Å; H208-L241 WeakPolarHBondContact O-CG 3.05Å; H208-L241 PolarHBondContact O-N 3.18Å; H210-L241 PolarHBondContact N-O 3.27Å; Q211-L241 PolarHBondContact N-O 3.44Å; Q211-L241 VanDerWaalsContact N-O 3.11Å; I239-L241 HydrophobicContact CG2-CD2 4.36Å; I239-L241 PolarHBondContact O-N 3.1Å; L241-L246 HydrophobicContact CB-CD2 4.16Å; L241-L246 HydrophobicContact CD1-CD2 3.98Å; L241-L246 HydrophobicContact CD2-CD2 3.8Å; L241-L246 HydrophobicContact CG-CD2 4.18Å; L241-Y251 HydrophobicContact CD1-CE2 3.65Å; L241-Y251 WeakPolarHBondContact CD1-OH 3.35Å; L241-I254 HydrophobicContact CD2-CD1 3.85Å; L241-M288 HydrophobicContact CB-CE 4.25Å; L241-M288 HydrophobicContact CD1-CE 4.11Å; L241-L353 HydrophobicContact CD2-CD1 3.96Å
242N96.1Very high97.4Very high26 Ų2623.4 Ų23.414%0.13912%0.117CC..  trans-95.411.1-173.9-71-30.3000114.7Q211 Q212 P240 P395Q211-N242 PolarHBondContact N-OD1 3.08Å; Q212-N242 HydrophobicContact CG-CB 4.31Å; Q212-N242 PolarHBondContact N-OD1 3.33Å; P240-N242 PolarHBondContact O-N 3.43Å; N242-P395 WeakPolarHBondContact ND2-CG 3.35Å
243D95Very high97.3Very high72 Ų7223.7 Ų23.739%0.38512%0.12SC..SBendtrans-135.3167.5173.4-157.8-5.8000109.4L246 M288 C352D243-L246 HydrophobicContact CB-CD1 3.91Å; D243-L246 WeakPolarHBondContact O-CD1 3.25Å; D243-M288 WeakPolarHBondContact O-CE 3.33Å; D243-C352 VanDerWaalsContact CB-SG 3.51Å
244I95.5Very high97.3Very high56 Ų5618.9 Ų18.929%0.28710%0.097SC..SBendtrans-103.8173.2176.458.4167.4000110.5L246 N287I244-L246 PolarHBondContact O-N 3.15Å; I244-L246 VanDerWaalsContact O-N 3.15Å; I244-N287 HydrophobicContact CB-CB 4.45Å; I244-N287 HydrophobicContact CG2-CB 4.29Å
245N95Very high97.3Very high68 Ų6818.9 Ų18.936%0.36410%0.097SC..  trans61.417.3178.9-57.1-54.2000115.2N287 K289N245-N287 PolarHBondContact N-O 3.19Å; N245-K289 HydrophobicContact CB-CD 4.05Å; N245-K289 HydrophobicContact CB-CG 4.27Å; N245-K289 VanDerWaalsContact OD1-CE 3.32Å; N245-K289 WeakPolarHBondContact OD1-CE 3.31Å
246L96.1Very high97.1Very high1 Ų123 Ų231%0.00511%0.111CC..  trans-60.3145.5166.5-78.969.5000109.1L241 D243 I244 D250 M288 K289L241-L246 HydrophobicContact CB-CD2 4.16Å; L241-L246 HydrophobicContact CD1-CD2 3.98Å; L241-L246 HydrophobicContact CD2-CD2 3.8Å; L241-L246 HydrophobicContact CG-CD2 4.18Å; D243-L246 HydrophobicContact CB-CD1 3.91Å; D243-L246 WeakPolarHBondContact O-CD1 3.25Å; I244-L246 PolarHBondContact O-N 3.15Å; I244-L246 VanDerWaalsContact O-N 3.15Å; L246-D250 WeakPolarHBondContact CA-OD2 3.5Å; L246-D250 HydrophobicContact CB-CB 4.05Å; L246-D250 WeakPolarHBondContact CB-OD2 3.44Å; L246-D250 HydrophobicContact CD2-CB 4.1Å; L246-D250 HydrophobicContact CG-CB 4.16Å; L246-D250 WeakPolarHBondContact CG-OD2 3.31Å; L246-M288 HydrophobicContact CB-SD 3.81Å; L246-M288 HydrophobicContact CD1-SD 4.44Å; L246-K289 PolarHBondContact O-N 3.41Å
247D95.3Very high97Very high44 Ų4426.5 Ų26.524%0.23513%0.127CC..BIsolated β-bridgetrans-130.6-166.2-166.860.52.3000111.1K249 D250 Y251 K289D247-K249 PolarHBondContact O-N 3.43Å; D247-K249 WeakPolarHBondContact OD1-CE 3.32Å; D247-K249 WeakPolarHBondContact OD1-CG 3.36Å; D247-K249 IonicContact OD1-NZ 3.18Å; D247-K249 PolarHBondContact OD1-NZ 3.32Å; D247-K249 WeakPolarHBondContact OD2-CE 3.16Å; D247-K249 IonicContact OD2-NZ 3.7Å; D247-D250 PolarHBondContact N-OD2 3.3Å; D247-D250 WeakPolarHBondContact O-CB 3.22Å; D247-D250 PolarHBondContact O-N 3Å; D247-D250 VanDerWaalsContact OD1-OD2 3.12Å; D247-Y251 PolarHBondContact O-N 3.39Å; D247-K289 HydrophobicContact CB-CB 4.07Å
248D96.8Very high97Very high17 Ų1726.4 Ų26.49%0.09113%0.127CC..Hα-helixtrans-57.1-44.6-173.2-64.6-9.5000113D250 Y251 I252 L290 S291 V294D248-D250 PolarHBondContact O-N 2.89Å; D248-Y251 PolarHBondContact O-N 2.73Å; D248-I252 WeakPolarHBondContact O-CB 2.92Å; D248-I252 WeakPolarHBondContact O-CG1 3.15Å; D248-I252 PolarHBondContact O-N 3Å; D248-L290 WeakPolarHBondContact OD1-CA 3.41Å; D248-S291 VanDerWaalsContact CG-OG 3.3Å; D248-S291 PolarHBondContact OD1-N 3.11Å; D248-S291 PolarHBondContact OD1-OG 3.13Å; D248-S291 VanDerWaalsContact OD2-CB 3.27Å; D248-S291 WeakPolarHBondContact OD2-CB 3.39Å; D248-S291 PolarHBondContact OD2-OG 2.72Å; D248-V294 HydrophobicContact CB-CB 4.15Å; D248-V294 HydrophobicContact CB-CG2 3.86Å; D248-V294 WeakPolarHBondContact OD1-CB 3.28Å; D248-V294 WeakPolarHBondContact OD1-CG1 3.37Å
249K96.3Very high97Very high35 Ų3526.4 Ų26.415%0.15213%0.127CC..Hα-helixtrans-60.2-34.3-178.353.8166.1-175.742.30112D247 A253 V347 A348 I349 T350D247-K249 PolarHBondContact O-N 3.43Å; D247-K249 WeakPolarHBondContact OD1-CE 3.32Å; D247-K249 WeakPolarHBondContact OD1-CG 3.36Å; D247-K249 IonicContact OD1-NZ 3.18Å; D247-K249 PolarHBondContact OD1-NZ 3.32Å; D247-K249 WeakPolarHBondContact OD2-CE 3.16Å; D247-K249 IonicContact OD2-NZ 3.7Å; K249-A253 WeakPolarHBondContact O-CB 3.47Å; K249-A253 PolarHBondContact O-N 3.23Å; K249-V347 HydrophobicContact CB-CG2 4.44Å; K249-V347 HydrophobicContact CD-CG2 3.41Å; K249-V347 VanDerWaalsContact CD-CG2 3.41Å; K249-V347 HydrophobicContact CG-CG2 4.41Å; K249-A348 WeakPolarHBondContact CD-O 3.44Å; K249-A348 WeakPolarHBondContact CE-O 3.29Å; K249-I349 HydrophobicContact CB-CG2 4.41Å; K249-I349 WeakPolarHBondContact O-CG2 3.15Å; K249-T350 PolarHBondContact NZ-OG1 2.81Å
250D97.1Very high97Very high0 Ų027.9 Ų27.90%014%0.136CC..Hα-helixtrans-72-47.9-176.8-68.3-28.8000110.1L246 D247 D248 A253 I254 I349 T350 L353L246-D250 WeakPolarHBondContact CA-OD2 3.5Å; L246-D250 HydrophobicContact CB-CB 4.05Å; L246-D250 WeakPolarHBondContact CB-OD2 3.44Å; L246-D250 HydrophobicContact CD2-CB 4.1Å; L246-D250 HydrophobicContact CG-CB 4.16Å; L246-D250 WeakPolarHBondContact CG-OD2 3.31Å; D247-D250 PolarHBondContact N-OD2 3.3Å; D247-D250 WeakPolarHBondContact O-CB 3.22Å; D247-D250 PolarHBondContact O-N 3Å; D247-D250 VanDerWaalsContact OD1-OD2 3.12Å; D248-D250 PolarHBondContact O-N 2.89Å; D250-A253 PolarHBondContact O-N 3.22Å; D250-I254 WeakPolarHBondContact O-CG1 3.39Å; D250-I254 PolarHBondContact O-N 2.91Å; D250-I349 WeakPolarHBondContact OD1-CA 3.48Å; D250-I349 VanDerWaalsContact OD1-CB 3.31Å; D250-I349 WeakPolarHBondContact OD1-CB 3.46Å; D250-T350 PolarHBondContact OD1-N 2.82Å; D250-T350 PolarHBondContact OD1-OG1 3.03Å; D250-T350 PolarHBondContact OD2-OG1 2.93Å; D250-L353 VanDerWaalsContact CA-CD2 3.47Å; D250-L353 HydrophobicContact CB-CD2 3.52Å; D250-L353 VanDerWaalsContact O-CD2 3.25Å; D250-L353 WeakPolarHBondContact O-CD2 3.36Å
251Y98Very high97Very high0 Ų029.6 Ų29.60%015%0.147CC..Hα-helixtrans-68.2-37.6176.6-83.3-117.4000112.3I207 L241 D247 D248 A253 I254 F255 L290 L298I207-Y251 HydrophobicContact CB-CE1 4.31Å; I207-Y251 HydrophobicContact CD1-CD1 4.06Å; I207-Y251 HydrophobicContact CD1-CE1 4.31Å; I207-Y251 HydrophobicContact CG2-CD1 4.27Å; I207-Y251 HydrophobicContact CG2-CE1 3.67Å; I207-Y251 HydrophobicContact CG2-CE2 4.49Å; L241-Y251 HydrophobicContact CD1-CE2 3.65Å; L241-Y251 WeakPolarHBondContact CD1-OH 3.35Å; D247-Y251 PolarHBondContact O-N 3.39Å; D248-Y251 PolarHBondContact O-N 2.73Å; Y251-A253 VanDerWaalsContact C-N 3.3Å; Y251-A253 PolarHBondContact O-N 3.05Å; Y251-I254 PolarHBondContact O-N 3.07Å; Y251-F255 WeakPolarHBondContact O-CD2 3.44Å; Y251-F255 PolarHBondContact O-N 3.29Å; Y251-L290 HydrophobicContact CD1-CD2 3.64Å; Y251-L290 HydrophobicContact CD2-CD1 3.62Å; Y251-L290 HydrophobicContact CD2-CD2 4.09Å; Y251-L290 HydrophobicContact CD2-CG 4.19Å; Y251-L290 HydrophobicContact CE1-CD2 3.75Å; Y251-L290 HydrophobicContact CE2-CD1 3.52Å; Y251-L290 HydrophobicContact CE2-CD2 4.23Å; Y251-L290 HydrophobicContact CE2-CG 4.4Å; Y251-L290 HydrophobicContact CG-CD1 4.18Å; Y251-L290 HydrophobicContact CG-CD2 3.79Å; Y251-L290 HydrophobicContact CG-CG 4.27Å; Y251-L298 HydrophobicContact CD1-CD1 4.36Å
252I97.5Very high97Very high13 Ų1329.5 Ų29.57%0.06715%0.146CC..Hα-helixtrans-60.5-41.1173-69.1-64.9000110.9D248 F255 R256 V294 H297 L298 M301 L342D248-I252 WeakPolarHBondContact O-CB 2.92Å; D248-I252 WeakPolarHBondContact O-CG1 3.15Å; D248-I252 PolarHBondContact O-N 3Å; I252-F255 PolarHBondContact O-N 2.86Å; I252-R256 HydrophobicContact CG2-CG 4.32Å; I252-R256 WeakPolarHBondContact O-CB 3.4Å; I252-R256 VanDerWaalsContact O-CG 3.28Å; I252-R256 WeakPolarHBondContact O-CG 3.29Å; I252-R256 PolarHBondContact O-N 2.66Å; I252-V294 HydrophobicContact CD1-CG2 3.97Å; I252-V294 HydrophobicContact CG1-CG2 3.99Å; I252-H297 HydrophobicContact CD1-CB 4.11Å; I252-L298 HydrophobicContact CD1-CD2 4.01Å; I252-M301 HydrophobicContact CD1-CE 3.5Å; I252-M301 VanDerWaalsContact CD1-CE 3.5Å; I252-L342 HydrophobicContact CD1-CD1 4.12Å; I252-L342 HydrophobicContact CG1-CD1 4.15Å
253A96.6Very high97.2Very high7 Ų728.2 Ų28.26%0.05814%0.14CC..Hα-helixtrans-65.5-42.6176.900000112.4K249 D250 Y251 F255 R256 H257 I349 I357K249-A253 WeakPolarHBondContact O-CB 3.47Å; K249-A253 PolarHBondContact O-N 3.23Å; D250-A253 PolarHBondContact O-N 3.22Å; Y251-A253 VanDerWaalsContact C-N 3.3Å; Y251-A253 PolarHBondContact O-N 3.05Å; A253-F255 VanDerWaalsContact C-N 3.29Å; A253-F255 PolarHBondContact O-N 2.92Å; A253-R256 PolarHBondContact O-N 3.44Å; A253-H257 WeakPolarHBondContact O-CB 3.46Å; A253-H257 PolarHBondContact O-CD2 3.45Å; A253-H257 PolarHBondContact O-N 3.18Å; A253-I349 HydrophobicContact CB-CD1 3.9Å; A253-I349 HydrophobicContact CB-CG2 3.58Å; A253-I357 HydrophobicContact CB-CD1 4.41Å
254I98.4Very high97.3Very high0 Ų029.4 Ų29.40%015%0.146CC..Hα-helixtrans-56-47.2173.4-68.5165.7000110.8I207 I239 L241 D250 Y251 R256 I258 I259 L353I207-I254 HydrophobicContact CD1-CB 4.44Å; I207-I254 HydrophobicContact CD1-CG2 3.69Å; I207-I254 HydrophobicContact CG1-CG2 3.86Å; I207-I254 HydrophobicContact CG2-CD1 3.87Å; I239-I254 HydrophobicContact CD1-CG2 3.37Å; I239-I254 HydrophobicContact CG2-CD1 3.99Å; I239-I254 HydrophobicContact CG2-CG1 4.17Å; I239-I254 HydrophobicContact CG2-CG2 4.26Å; L241-I254 HydrophobicContact CD2-CD1 3.85Å; D250-I254 WeakPolarHBondContact O-CG1 3.39Å; D250-I254 PolarHBondContact O-N 2.91Å; Y251-I254 PolarHBondContact O-N 3.07Å; I254-R256 PolarHBondContact O-N 3.34Å; I254-I258 WeakPolarHBondContact O-CB 3.43Å; I254-I258 PolarHBondContact O-N 3.43Å; I254-I259 HydrophobicContact CG2-CD1 4.05Å; I254-I259 HydrophobicContact CG2-CG1 4.12Å; I254-I259 PolarHBondContact O-N 3.46Å; I254-L353 HydrophobicContact CD1-CD1 3.74Å; I254-L353 HydrophobicContact CD1-CD2 4.28Å; I254-L353 HydrophobicContact CG1-CD1 3.67Å; I254-L353 HydrophobicContact CG1-CD2 4.07Å; I254-L353 HydrophobicContact CG1-CG 4.43Å
255F98.4Very high97.4Very high0 Ų029.8 Ų29.80%015%0.146CC..Iπ-helixtrans-61.7-46.3178.6-93.5-110.1000112.1V182 W184 I207 Y251 I252 A253 I259 V260 L298 M301 L302V182-F255 HydrophobicContact CG1-CZ 4.14Å; W184-F255 AromaticContact CE3-CZ 3.84Å; W184-F255 HydrophobicContact CE3-CZ 3.84Å; W184-F255 HydrophobicContact CZ3-CZ 4.12Å; I207-F255 HydrophobicContact CD1-CD2 4.17Å; I207-F255 HydrophobicContact CD1-CE2 3.73Å; Y251-F255 WeakPolarHBondContact O-CD2 3.44Å; Y251-F255 PolarHBondContact O-N 3.29Å; I252-F255 PolarHBondContact O-N 2.86Å; A253-F255 VanDerWaalsContact C-N 3.29Å; A253-F255 PolarHBondContact O-N 2.92Å; F255-I259 HydrophobicContact CD1-CB 4.46Å; F255-I259 HydrophobicContact CD1-CG2 4.43Å; F255-I259 HydrophobicContact CD2-CD1 3.78Å; F255-I259 HydrophobicContact CE1-CD1 4.47Å; F255-I259 HydrophobicContact CE1-CG2 4.44Å; F255-I259 HydrophobicContact CE2-CD1 3.68Å; F255-I259 HydrophobicContact CG-CB 4.45Å; F255-I259 HydrophobicContact CG-CD1 4.25Å; F255-I259 HydrophobicContact CZ-CD1 4.04Å; F255-I259 PolarHBondContact O-N 2.78Å; F255-V260 VanDerWaalsContact O-CB 3.29Å; F255-V260 WeakPolarHBondContact O-CB 3.22Å; F255-V260 WeakPolarHBondContact O-CG2 3.34Å; F255-V260 PolarHBondContact O-N 3.35Å; F255-L298 HydrophobicContact CD1-CD2 4.24Å; F255-L298 HydrophobicContact CD2-CD2 3.61Å; F255-L298 HydrophobicContact CE1-CB 3.98Å; F255-L298 HydrophobicContact CE1-CD2 4.3Å; F255-L298 HydrophobicContact CE2-CB 4.25Å; F255-L298 HydrophobicContact CE2-CD1 3.83Å; F255-L298 HydrophobicContact CE2-CD2 3.69Å; F255-L298 HydrophobicContact CE2-CG 4.1Å; F255-L298 HydrophobicContact CG-CD2 3.89Å; F255-L298 HydrophobicContact CZ-CB 3.79Å; F255-L298 HydrophobicContact CZ-CD1 4.1Å; F255-L298 HydrophobicContact CZ-CD2 4.05Å; F255-L298 HydrophobicContact CZ-CG 4.16Å; F255-M301 HydrophobicContact CB-CE 3.48Å; F255-M301 VanDerWaalsContact CB-CE 3.48Å; F255-M301 HydrophobicContact CB-SD 3.92Å; F255-M301 HydrophobicContact CD1-CB 4.14Å; F255-M301 HydrophobicContact CD1-CE 3.67Å; F255-M301 HydrophobicContact CD1-SD 4.43Å; F255-M301 HydrophobicContact CG-CE 3.67Å; F255-L302 HydrophobicContact CE1-CD1 4.14Å; F255-L302 HydrophobicContact CE1-CD2 4.1Å; F255-L302 HydrophobicContact CE1-CG 3.94Å
256R96.4Very high97.6Very high134 Ų13427 Ų2751%0.50613%0.131SC..Iπ-helixtrans-70.4-34.8-177-73.2176.8177.3-179.41.3113.4I252 A253 I254 P261 M301I252-R256 HydrophobicContact CG2-CG 4.32Å; I252-R256 WeakPolarHBondContact O-CB 3.4Å; I252-R256 VanDerWaalsContact O-CG 3.28Å; I252-R256 WeakPolarHBondContact O-CG 3.29Å; I252-R256 PolarHBondContact O-N 2.66Å; A253-R256 PolarHBondContact O-N 3.44Å; I254-R256 PolarHBondContact O-N 3.34Å; R256-P261 VanDerWaalsContact O-CD 3.3Å; R256-P261 WeakPolarHBondContact O-CD 3.43Å; R256-P261 VanDerWaalsContact O-CG 3.23Å; R256-P261 WeakPolarHBondContact O-CG 3.29Å; R256-M301 HydrophobicContact CG-SD 4.44Å
257H96.3Very high97.7Very high78 Ų7833.3 Ų33.336%0.36116%0.16SC..Iπ-helixtrans-97.9-24.8-172.7-66-59.1000114.1A253 I357 M371 F374A253-H257 WeakPolarHBondContact O-CB 3.46Å; A253-H257 PolarHBondContact O-CD2 3.45Å; A253-H257 PolarHBondContact O-N 3.18Å; H257-I357 HydrophobicContact CB-CG2 4.21Å; H257-M371 VanDerWaalsContact O-CE 3.3Å; H257-M371 WeakPolarHBondContact O-CE 3.13Å; H257-F374 HydrophobicContact CB-CE2 4.28Å; H257-F374 HydrophobicContact CB-CZ 4.45Å; H257-F374 AromaticContact ND1-CE2 3.66Å
258I98.4Very high97.9Very high1 Ų131.8 Ų31.81%0.00515%0.153CC..Iπ-helixtrans-120.1-62.9-177.6-59.8169.6000110.6I237 I239 I254 P261 I262 I357 T360I237-I258 HydrophobicContact CG2-CG2 4.18Å; I239-I258 HydrophobicContact CD1-CB 4.26Å; I239-I258 HydrophobicContact CD1-CD1 3.87Å; I239-I258 HydrophobicContact CD1-CG2 3.95Å; I239-I258 HydrophobicContact CG1-CD1 4.38Å; I254-I258 WeakPolarHBondContact O-CB 3.43Å; I254-I258 PolarHBondContact O-N 3.43Å; I258-P261 WeakPolarHBondContact O-CD 3.23Å; I258-I262 HydrophobicContact CG2-CD1 3.86Å; I258-I262 VanDerWaalsContact O-CB 3.31Å; I258-I262 WeakPolarHBondContact O-CB 3.5Å; I258-I262 VanDerWaalsContact O-CG1 3.25Å; I258-I262 WeakPolarHBondContact O-CG1 3.42Å; I258-I262 PolarHBondContact O-N 3.45Å; I258-I262 VanDerWaalsContact O-N 3.13Å; I258-I357 HydrophobicContact CD1-CB 4.35Å; I258-I357 HydrophobicContact CD1-CG1 3.97Å; I258-I357 HydrophobicContact CD1-CG2 4.33Å; I258-I357 HydrophobicContact CG1-CG2 4.45Å; I258-T360 HydrophobicContact CD1-CG2 3.91Å; I258-T360 HydrophobicContact CG2-CG2 4.34Å
259I98.7Very high97.9Very high0 Ų033.2 Ų33.20%016%0.16CC..Iπ-helixtrans-66.8-54.3-165.6-54.6-168.9000111.7V182 I205 I207 I239 I254 F255 A263 L302V182-I259 HydrophobicContact CG1-CD1 4.11Å; V182-I259 HydrophobicContact CG2-CG2 4.05Å; I205-I259 HydrophobicContact CD1-CG2 4.25Å; I205-I259 HydrophobicContact CG2-CD1 4.1Å; I205-I259 HydrophobicContact CG2-CG1 4.06Å; I207-I259 HydrophobicContact CD1-CD1 3.74Å; I207-I259 HydrophobicContact CG1-CD1 4.18Å; I239-I259 HydrophobicContact CD1-CG1 4.5Å; I254-I259 HydrophobicContact CG2-CD1 4.05Å; I254-I259 HydrophobicContact CG2-CG1 4.12Å; I254-I259 PolarHBondContact O-N 3.46Å; F255-I259 HydrophobicContact CD1-CB 4.46Å; F255-I259 HydrophobicContact CD1-CG2 4.43Å; F255-I259 HydrophobicContact CD2-CD1 3.78Å; F255-I259 HydrophobicContact CE1-CD1 4.47Å; F255-I259 HydrophobicContact CE1-CG2 4.44Å; F255-I259 HydrophobicContact CE2-CD1 3.68Å; F255-I259 HydrophobicContact CG-CB 4.45Å; F255-I259 HydrophobicContact CG-CD1 4.25Å; F255-I259 HydrophobicContact CZ-CD1 4.04Å; F255-I259 PolarHBondContact O-N 2.78Å; I259-A263 WeakPolarHBondContact O-CB 3.39Å; I259-A263 PolarHBondContact O-N 2.88Å; I259-L302 HydrophobicContact CG2-CD2 4.14Å
260V98.6Very high98.1Very high32 Ų3231.5 Ų31.519%0.19415%0.153CC..Hα-helixtrans-63.8-49-176.5170.60000111.5F255 I262 A263 L264 M301 I305F255-V260 VanDerWaalsContact O-CB 3.29Å; F255-V260 WeakPolarHBondContact O-CB 3.22Å; F255-V260 WeakPolarHBondContact O-CG2 3.34Å; F255-V260 PolarHBondContact O-N 3.35Å; V260-I262 PolarHBondContact O-N 3.48Å; V260-A263 PolarHBondContact O-N 3.36Å; V260-L264 HydrophobicContact CG1-CD1 3.77Å; V260-L264 HydrophobicContact CG1-CG 4.29Å; V260-L264 WeakPolarHBondContact O-CB 3.27Å; V260-L264 VanDerWaalsContact O-CG 3.26Å; V260-L264 WeakPolarHBondContact O-CG 3.45Å; V260-L264 PolarHBondContact O-N 3.32Å; V260-M301 HydrophobicContact CG2-CB 4.12Å; V260-I305 HydrophobicContact CB-CD1 4.41Å; V260-I305 HydrophobicContact CG1-CD1 4.31Å; V260-I305 HydrophobicContact CG2-CD1 4.17Å
261P98.6Very high98.2Very high35 Ų3531.5 Ų31.523%0.22715%0.153CC..Hα-helixtrans-58.1-46.5177.6-26.435.6000113.4R256 I258 L264 E265 C370 M371R256-P261 VanDerWaalsContact O-CD 3.3Å; R256-P261 WeakPolarHBondContact O-CD 3.43Å; R256-P261 VanDerWaalsContact O-CG 3.23Å; R256-P261 WeakPolarHBondContact O-CG 3.29Å; I258-P261 WeakPolarHBondContact O-CD 3.23Å; P261-L264 PolarHBondContact O-N 3.21Å; P261-E265 PolarHBondContact O-N 3.26Å; P261-C370 HydrophobicContact CB-CB 3.84Å; P261-M371 HydrophobicContact CB-CE 4.22Å
262I98.7Very high98.2Very high0 Ų031.5 Ų31.50%015%0.153CC..Hα-helixtrans-67.7-43-179.9-68.2178000110.6L203 I237 I258 V260 L264 E265 Y266 L364 W368 M371L203-I262 HydrophobicContact CD2-CG2 3.69Å; I237-I262 HydrophobicContact CD1-CD1 3.44Å; I237-I262 VanDerWaalsContact CD1-CD1 3.44Å; I237-I262 HydrophobicContact CD1-CG2 3.94Å; I258-I262 HydrophobicContact CG2-CD1 3.86Å; I258-I262 VanDerWaalsContact O-CB 3.31Å; I258-I262 WeakPolarHBondContact O-CB 3.5Å; I258-I262 VanDerWaalsContact O-CG1 3.25Å; I258-I262 WeakPolarHBondContact O-CG1 3.42Å; I258-I262 PolarHBondContact O-N 3.45Å; I258-I262 VanDerWaalsContact O-N 3.13Å; V260-I262 PolarHBondContact O-N 3.48Å; I262-L264 VanDerWaalsContact C-N 3.32Å; I262-L264 PolarHBondContact O-N 3.01Å; I262-E265 CarbonylContact O-C 3.55Å; I262-E265 PolarHBondContact O-N 2.81Å; I262-E265 VanDerWaalsContact O-N 3.17Å; I262-Y266 VanDerWaalsContact O-CB 3.3Å; I262-Y266 WeakPolarHBondContact O-CB 3.45Å; I262-Y266 PolarHBondContact O-N 3.04Å; I262-L364 HydrophobicContact CD1-CD1 3.81Å; I262-W368 HydrophobicContact CD1-CG 4.33Å; I262-W368 HydrophobicContact CG1-CB 4.43Å; I262-W368 HydrophobicContact CG1-CD2 4.34Å; I262-W368 HydrophobicContact CG1-CG 4.2Å; I262-W368 HydrophobicContact CG2-CD2 3.74Å; I262-W368 HydrophobicContact CG2-CE3 3.85Å; I262-W368 HydrophobicContact CG2-CG 4.4Å; I262-W368 HydrophobicContact CG2-CH2 3.95Å; I262-W368 HydrophobicContact CG2-CZ2 3.84Å; I262-W368 HydrophobicContact CG2-CZ3 3.96Å; I262-M371 HydrophobicContact CD1-CE 4.08Å; I262-M371 HydrophobicContact CD1-CG 3.9Å; I262-M371 HydrophobicContact CD1-SD 3.91Å; I262-M371 HydrophobicContact CG1-CE 3.82Å; I262-M371 HydrophobicContact CG1-CG 4.19Å; I262-M371 HydrophobicContact CG1-SD 4.29Å
263A98.6Very high98.3Very high0 Ų031 Ų310%015%0.15CC..Hα-helixtrans-64-36.9179.600000112.5L180 I259 V260 Y266 Q267 P268 I305L180-A263 HydrophobicContact CD2-CB 3.57Å; I259-A263 WeakPolarHBondContact O-CB 3.39Å; I259-A263 PolarHBondContact O-N 2.88Å; V260-A263 PolarHBondContact O-N 3.36Å; A263-Y266 PolarHBondContact O-N 3.43Å; A263-Q267 PolarHBondContact O-N 3.37Å; A263-P268 VanDerWaalsContact O-CD 3.31Å; A263-P268 WeakPolarHBondContact O-CD 3.36Å; A263-I305 HydrophobicContact CB-CD1 3.68Å; A263-I305 HydrophobicContact CB-CG1 4.29Å; A263-I305 HydrophobicContact CB-CG2 3.86Å
264L98Very high98.4Very high97 Ų9730.6 Ų30.651%0.50815%0.147SC..Hα-helixtrans-66.9-38.9172.6-72.5171.4000112.2V260 P261 I262 Q267 I305V260-L264 HydrophobicContact CG1-CD1 3.77Å; V260-L264 HydrophobicContact CG1-CG 4.29Å; V260-L264 WeakPolarHBondContact O-CB 3.27Å; V260-L264 VanDerWaalsContact O-CG 3.26Å; V260-L264 WeakPolarHBondContact O-CG 3.45Å; V260-L264 PolarHBondContact O-N 3.32Å; P261-L264 PolarHBondContact O-N 3.21Å; I262-L264 VanDerWaalsContact C-N 3.32Å; I262-L264 PolarHBondContact O-N 3.01Å; L264-Q267 WeakPolarHBondContact O-CG 3.29Å; L264-I305 HydrophobicContact CD2-CG1 3.88Å; L264-I305 HydrophobicContact CG-CG1 4.14Å
265E98.4Very high98.4Very high63 Ų6330.6 Ų30.629%0.29415%0.147SC..Hα-helixtrans-68.8-38.3174.3-173.7169.9171.700111.7P261 I262 W368 K369 C370P261-E265 PolarHBondContact O-N 3.26Å; I262-E265 CarbonylContact O-C 3.55Å; I262-E265 PolarHBondContact O-N 2.81Å; I262-E265 VanDerWaalsContact O-N 3.17Å; E265-W368 HydrophobicContact CB-CE3 4.1Å; E265-W368 HydrophobicContact CB-CZ3 4.3Å; E265-W368 HydrophobicContact CG-CE3 3.93Å; E265-W368 HydrophobicContact CG-CZ3 4.23Å; E265-K369 WeakPolarHBondContact OE1-CB 3.26Å; E265-K369 WeakPolarHBondContact OE1-CG 3.26Å; E265-K369 PolarHBondContact OE1-N 3.05Å; E265-K369 PolarHBondContact OE2-N 2.92Å; E265-C370 PolarHBondContact OE2-N 3.18Å; E265-C370 PolarHBondContact OE2-SG 3.31Å
266Y98.6Very high98.4Very high10 Ų1030.6 Ų30.64%0.03915%0.147CC..Hα-helixtrans-71.9-35.2-179.7-176-123.1000113.2K178 I179 L180 S200 D201 V202 L203 F235 I262 A263 P268 W368K178-Y266 HydrophobicContact CB-CE1 3.92Å; K178-Y266 HydrophobicContact CB-CE2 4.41Å; K178-Y266 HydrophobicContact CD-CD2 4.38Å; K178-Y266 HydrophobicContact CD-CE2 3.94Å; K178-Y266 HydrophobicContact CG-CE2 4.21Å; K178-Y266 PolarHBondContact NZ-O 3.24Å; I179-Y266 WeakPolarHBondContact O-CE1 3.37Å; L180-Y266 HydrophobicContact CB-CD1 4.48Å; S200-Y266 PolarHBondContact O-OH 3.49Å; D201-Y266 PolarHBondContact O-OH 2.99Å; V202-Y266 PolarHBondContact N-OH 3.34Å; L203-Y266 HydrophobicContact CB-CD1 3.81Å; L203-Y266 HydrophobicContact CB-CD2 4.5Å; L203-Y266 HydrophobicContact CB-CE1 3.58Å; L203-Y266 HydrophobicContact CB-CE2 4.3Å; L203-Y266 HydrophobicContact CB-CG 4.26Å; L203-Y266 HydrophobicContact CD2-CD1 3.74Å; L203-Y266 HydrophobicContact CD2-CD2 4.42Å; L203-Y266 HydrophobicContact CD2-CE1 4.39Å; L203-Y266 HydrophobicContact CD2-CG 3.74Å; L203-Y266 HydrophobicContact CG-CD1 4.45Å; F235-Y266 HydrophobicContact CD1-CD2 4.42Å; F235-Y266 AromaticContact CD1-CE2 3.93Å; F235-Y266 HydrophobicContact CD1-CE2 3.93Å; F235-Y266 AromaticContact CE1-CD2 3.98Å; F235-Y266 HydrophobicContact CE1-CD2 3.98Å; F235-Y266 AromaticContact CE1-CE2 3.61Å; F235-Y266 HydrophobicContact CE1-CE2 3.61Å; I262-Y266 VanDerWaalsContact O-CB 3.3Å; I262-Y266 WeakPolarHBondContact O-CB 3.45Å; I262-Y266 PolarHBondContact O-N 3.04Å; A263-Y266 PolarHBondContact O-N 3.43Å; Y266-P268 HydrophobicContact CD1-CB 4.01Å; Y266-P268 HydrophobicContact CD1-CG 4.47Å; Y266-P268 HydrophobicContact CE1-CB 4.13Å; Y266-W368 AromaticContact CD2-CH2 3.72Å; Y266-W368 HydrophobicContact CD2-CH2 3.72Å; Y266-W368 HydrophobicContact CD2-CZ3 4.35Å; Y266-W368 HydrophobicContact CG-CH2 4.03Å
267Q98.2Very high98.5Very high134 Ų13424.4 Ų24.463%0.62612%0.124SC*.  trans53.367.6-179.3-56.4179.8-25.700112.9K178 A263 L264K178-Q267 WeakPolarHBondContact CE-O 3.48Å; K178-Q267 PolarHBondContact NZ-O 2.91Å; A263-Q267 PolarHBondContact O-N 3.37Å; L264-Q267 WeakPolarHBondContact O-CG 3.29Å
268P98.6Very high98.6Very high12 Ų1220.7 Ų20.78%0.07811%0.107CC..  trans-67.2149.4-179.229.5-35.6000112.5L180 A263 Y266 V271 I305L180-P268 HydrophobicContact CB-CB 3.68Å; L180-P268 HydrophobicContact CB-CG 3.79Å; L180-P268 HydrophobicContact CD2-CG 4.2Å; A263-P268 VanDerWaalsContact O-CD 3.31Å; A263-P268 WeakPolarHBondContact O-CD 3.36Å; Y266-P268 HydrophobicContact CD1-CB 4.01Å; Y266-P268 HydrophobicContact CD1-CG 4.47Å; Y266-P268 HydrophobicContact CE1-CB 4.13Å; P268-V271 HydrophobicContact CB-CG2 4.19Å; P268-V271 HydrophobicContact CG-CG2 3.65Å; P268-I305 HydrophobicContact CG-CG2 3.74Å
269D98.4Very high98.6Very high46 Ų4620.6 Ų20.625%0.24611%0.106CC..SBendtrans-82.9-22.8171.4-63.3-50.3000112.5V176 K177 K178 R309V176-D269 HydrophobicContact CG1-CB 4.06Å; K177-D269 WeakPolarHBondContact CA-OD2 3.35Å; K177-D269 WeakPolarHBondContact CB-OD2 3.49Å; K177-D269 PolarHBondContact N-OD2 2.99Å; K178-D269 PolarHBondContact N-OD2 3.4Å; K178-D269 PolarHBondContact O-N 3.45Å; D269-R309 WeakPolarHBondContact O-CD 3.32Å; D269-R309 PolarHBondContact O-NE 3.39Å; D269-R309 PolarHBondContact O-NH1 3.01Å
270L98.8Very high98.5Very high0 Ų020.7 Ų20.70%011%0.107CC..EExtended strand (participates in β ladder)trans-151134-178176.860000108.8A127 V130 V131 A170 V176 K178 I179 L180 F272 R309 V311A127-L270 HydrophobicContact CB-CD2 4.36Å; V130-L270 HydrophobicContact CG2-CD1 3.66Å; V131-L270 HydrophobicContact CG2-CD1 4.16Å; V131-L270 HydrophobicContact CG2-CD2 4.01Å; A170-L270 HydrophobicContact CB-CD2 3.65Å; V176-L270 HydrophobicContact CG1-CB 3.92Å; V176-L270 HydrophobicContact CG1-CD2 4.44Å; V176-L270 HydrophobicContact CG2-CB 4.34Å; V176-L270 HydrophobicContact CG2-CD2 4.21Å; K178-L270 PolarHBondContact O-N 2.81Å; I179-L270 WeakPolarHBondContact CA-O 3.3Å; I179-L270 HydrophobicContact CG1-CB 4.47Å; L180-L270 PolarHBondContact N-O 3.23Å; L270-F272 HydrophobicContact CD2-CD2 4.35Å; L270-F272 HydrophobicContact CD2-CE2 3.39Å; L270-F272 HydrophobicContact CD2-CZ 3.62Å; L270-F272 HydrophobicContact CG-CD2 4.23Å; L270-F272 HydrophobicContact CG-CE2 3.74Å; L270-F272 HydrophobicContact CG-CZ 4.19Å; L270-R309 HydrophobicContact CD1-CB 4.25Å; L270-R309 WeakPolarHBondContact CD1-O 3.32Å; L270-V311 HydrophobicContact CD1-CG2 4.25Å
271V98.9Very high98.4Very high0 Ų019.5 Ų19.50%010%0.099CC..EExtended strand (participates in β ladder)trans-114.2125.5177-175.50000109.1L180 P268 I305 A306 R309 L310 V311L180-V271 HydrophobicContact CB-CG1 4.39Å; L180-V271 HydrophobicContact CB-CG2 4.23Å; L180-V271 HydrophobicContact CD2-CG1 4.06Å; L180-V271 HydrophobicContact CD2-CG2 4.24Å; L180-V271 HydrophobicContact CG-CG1 4.17Å; L180-V271 CarbonylContact O-C 3.56Å; L180-V271 WeakPolarHBondContact O-CA 3.22Å; P268-V271 HydrophobicContact CB-CG2 4.19Å; P268-V271 HydrophobicContact CG-CG2 3.65Å; V271-I305 HydrophobicContact CG2-CG2 4.35Å; V271-A306 HydrophobicContact CB-CB 3.85Å; V271-A306 HydrophobicContact CG2-CB 3.55Å; V271-R309 PolarHBondContact N-O 3.32Å; V271-L310 HydrophobicContact CB-CD1 3.85Å; V271-L310 HydrophobicContact CG1-CD1 3.67Å; V271-L310 CarbonylContact O-C 3.6Å; V271-L310 WeakPolarHBondContact O-CA 3.38Å; V271-V311 PolarHBondContact O-N 2.94Å
272F99Very high98.2Very high0 Ų017.9 Ų17.90%09%0.089CC..EExtended strand (participates in β ladder)trans-103.6145.9165.8-69.8-83.7000110.3V123 A127 V163 A166 A167 I179 L180 I181 V182 L270 V311V123-F272 HydrophobicContact CG1-CD1 4.11Å; V123-F272 HydrophobicContact CG1-CE1 3.85Å; A127-F272 HydrophobicContact CB-CE1 4.02Å; A127-F272 HydrophobicContact CB-CZ 3.72Å; V163-F272 HydrophobicContact CG1-CB 3.7Å; V163-F272 HydrophobicContact CG1-CD1 4.37Å; V163-F272 HydrophobicContact CG1-CG 4Å; A166-F272 HydrophobicContact CB-CE1 3.76Å; A166-F272 HydrophobicContact CB-CZ 3.83Å; A167-F272 HydrophobicContact CB-CD2 4.31Å; A167-F272 HydrophobicContact CB-CE2 4.03Å; I179-F272 HydrophobicContact CD1-CE2 4.31Å; I179-F272 HydrophobicContact CG2-CD2 3.68Å; I179-F272 HydrophobicContact CG2-CE2 4.08Å; L180-F272 PolarHBondContact O-N 3.04Å; I181-F272 WeakPolarHBondContact CA-O 3.31Å; I181-F272 HydrophobicContact CG1-CB 4.31Å; V182-F272 PolarHBondContact N-O 2.95Å; L270-F272 HydrophobicContact CD2-CD2 4.35Å; L270-F272 HydrophobicContact CD2-CE2 3.39Å; L270-F272 HydrophobicContact CD2-CZ 3.62Å; L270-F272 HydrophobicContact CG-CD2 4.23Å; L270-F272 HydrophobicContact CG-CE2 3.74Å; L270-F272 HydrophobicContact CG-CZ 4.19Å; F272-V311 CarbonylContact C-O 3.5Å; F272-V311 VanDerWaalsContact CA-O 3.29Å; F272-V311 WeakPolarHBondContact CA-O 3.46Å; F272-V311 HydrophobicContact CD1-CB 3.61Å; F272-V311 HydrophobicContact CD1-CG1 3.78Å; F272-V311 HydrophobicContact CD1-CG2 4.37Å; F272-V311 HydrophobicContact CE1-CB 3.77Å; F272-V311 HydrophobicContact CE1-CG1 3.83Å; F272-V311 HydrophobicContact CE1-CG2 4.07Å
273V98.9Very high98.1Very high1 Ų117.9 Ų17.91%0.0069%0.089CC..EExtended strand (participates in β ladder)trans-120.3119.4167.1-179.10000108.7V182 W184 A275 L302 L310 V311 V312 A313V182-V273 CarbonylContact O-C 3.58Å; V182-V273 WeakPolarHBondContact O-CA 3.34Å; W184-V273 HydrophobicContact CD2-CG1 3.66Å; W184-V273 HydrophobicContact CE3-CG1 3.55Å; W184-V273 HydrophobicContact CH2-CB 4.45Å; W184-V273 HydrophobicContact CH2-CG1 3.47Å; W184-V273 VanDerWaalsContact CH2-CG1 3.47Å; W184-V273 HydrophobicContact CH2-CG2 4.39Å; W184-V273 HydrophobicContact CZ2-CG1 3.53Å; W184-V273 HydrophobicContact CZ3-CB 4.49Å; W184-V273 HydrophobicContact CZ3-CG1 3.48Å; W184-V273 VanDerWaalsContact CZ3-CG1 3.48Å; W184-V273 HydrophobicContact CZ3-CG2 4.2Å; V273-A275 HydrophobicContact CG1-CB 3.99Å; V273-A275 PolarHBondContact O-N 3.38Å; V273-L302 HydrophobicContact CG2-CD1 3.54Å; V273-L310 HydrophobicContact CG2-CD1 3.87Å; V273-V311 PolarHBondContact N-O 3.43Å; V273-V312 HydrophobicContact CB-CB 4.49Å; V273-V312 HydrophobicContact CB-CG1 4.25Å; V273-V312 HydrophobicContact CB-CG2 4.28Å; V273-V312 HydrophobicContact CG1-CG1 4.38Å; V273-V312 HydrophobicContact CG2-CG2 4.41Å; V273-A313 PolarHBondContact O-N 3.21Å
274S98.9Very high97.8Very high0 Ų018.8 Ų18.80%09%0.094CC..EExtended strand (participates in β ladder)trans-78.3100161.8-60.80000106.7V182 D183 W184 G276V182-S274 PolarHBondContact O-N 2.92Å; D183-S274 VanDerWaalsContact CG-CB 3.41Å; D183-S274 WeakPolarHBondContact OD1-CB 3.33Å; W184-S274 PolarHBondContact N-O 2.99Å; S274-G276 PolarHBondContact O-N 3.29Å
275A98.8Very high97.5Very high0 Ų017.4 Ų17.40%09%0.086CC..EExtended strand (participates in β ladder)trans-100.782.2-170.300000111.3W184 V273 F277 V312 A313 E315W184-A275 HydrophobicContact CZ2-CB 3.9Å; W184-A275 VanDerWaalsContact NE1-CA 3.35Å; V273-A275 HydrophobicContact CG1-CB 3.99Å; V273-A275 PolarHBondContact O-N 3.38Å; A275-F277 HydrophobicContact CB-CE2 4.03Å; A275-F277 HydrophobicContact CB-CZ 4.02Å; A275-F277 WeakPolarHBondContact O-CD2 3.38Å; A275-F277 WeakPolarHBondContact O-CE2 3.4Å; A275-V312 HydrophobicContact CB-CG1 3.46Å; A275-V312 VanDerWaalsContact CB-CG1 3.46Å; A275-A313 WeakPolarHBondContact CA-O 3.45Å; A275-A313 WeakPolarHBondContact CB-O 3.28Å; A275-A313 PolarHBondContact N-O 3.2Å; A275-E315 PolarHBondContact O-N 3.04Å
276G98.6Very high97.2Very high0 Ų014.4 Ų14.40%07%0.072CC..  trans-78.7139.2162.300000110.8W184 D185 S274 G316W184-G276 PolarHBondContact NE1-O 2.84Å; D185-G276 WeakPolarHBondContact OD2-CA 3.44Å; S274-G276 PolarHBondContact O-N 3.29Å; G276-G316 WeakPolarHBondContact CA-O 3.42Å
277F98.7Very high97Very high3 Ų316.3 Ų16.31%0.0138%0.082CC..  trans-113.722.6176.8-58.5-82.9000111.4A275 A280 F295 L314 G316 G317 L323 V327 V330A275-F277 HydrophobicContact CB-CE2 4.03Å; A275-F277 HydrophobicContact CB-CZ 4.02Å; A275-F277 WeakPolarHBondContact O-CD2 3.38Å; A275-F277 WeakPolarHBondContact O-CE2 3.4Å; F277-A280 WeakPolarHBondContact O-CB 3.49Å; F277-A280 PolarHBondContact O-N 2.74Å; F277-F295 HydrophobicContact CD1-CB 4.44Å; F277-F295 AromaticContact CD1-CD1 3.69Å; F277-F295 HydrophobicContact CD1-CD1 3.69Å; F277-F295 AromaticContact CD1-CD2 3.92Å; F277-F295 HydrophobicContact CD1-CD2 3.92Å; F277-F295 AromaticContact CD1-CE1 3.79Å; F277-F295 HydrophobicContact CD1-CE1 3.79Å; F277-F295 HydrophobicContact CD1-CE2 4.02Å; F277-F295 AromaticContact CD1-CG 3.75Å; F277-F295 HydrophobicContact CD1-CG 3.75Å; F277-F295 AromaticContact CD1-CZ 3.95Å; F277-F295 HydrophobicContact CD1-CZ 3.95Å; F277-F295 HydrophobicContact CE1-CB 3.95Å; F277-F295 AromaticContact CE1-CD1 3.76Å; F277-F295 HydrophobicContact CE1-CD1 3.76Å; F277-F295 HydrophobicContact CE1-CD2 4.27Å; F277-F295 HydrophobicContact CE1-CE1 4.32Å; F277-F295 AromaticContact CE1-CG 3.73Å; F277-F295 HydrophobicContact CE1-CG 3.73Å; F277-L314 HydrophobicContact CD2-CD1 3.66Å; F277-L314 HydrophobicContact CE2-CD1 3.65Å; F277-G316 PolarHBondContact N-O 3.42Å; F277-G317 VanDerWaalsContact C-CA 3.5Å; F277-L323 HydrophobicContact CB-CD1 3.83Å; F277-L323 HydrophobicContact CD2-CD1 3.39Å; F277-L323 HydrophobicContact CE2-CD1 4.22Å; F277-L323 HydrophobicContact CG-CD1 3.87Å; F277-V327 HydrophobicContact CD2-CG2 4.04Å; F277-V327 HydrophobicContact CE1-CG2 4.49Å; F277-V327 HydrophobicContact CE2-CG2 3.45Å; F277-V327 VanDerWaalsContact CE2-CG2 3.45Å; F277-V327 HydrophobicContact CZ-CG2 3.69Å; F277-V330 HydrophobicContact CE1-CG2 3.92Å; F277-V330 HydrophobicContact CZ-CG2 3.95Å
278D97.8Very high96.9Very high0 Ų010 Ų100%05%0.053CC..THydrogen-bonded Turntrans-81.9-13.4177.242.913.7000113.7V186 H187 A280 C283 G286 Y318V186-D278 HydrophobicContact CG1-CB 3.88Å; V186-D278 WeakPolarHBondContact CG1-OD1 3.25Å; V186-D278 PolarHBondContact N-OD1 3.13Å; H187-D278 IonicContact CE1-OD2 3.14Å; H187-D278 PolarHBondContact CE1-OD2 3.25Å; H187-D278 VanDerWaalsContact CE1-OD2 3.3Å; H187-D278 IonicContact ND1-OD2 2.72Å; H187-D278 PolarHBondContact ND1-OD2 3.24Å; H187-D278 VanDerWaalsContact ND1-OD2 3.14Å; D278-A280 PolarHBondContact O-N 2.76Å; D278-C283 WeakPolarHBondContact CA-SG 3.29Å; D278-C283 HydrophobicContact CB-CB 4.47Å; D278-C283 WeakPolarHBondContact CB-SG 3.49Å; D278-C283 VanDerWaalsContact O-CB 3.27Å; D278-C283 WeakPolarHBondContact O-CB 3.48Å; D278-G286 WeakPolarHBondContact O-CA 3.48Å; D278-G286 PolarHBondContact O-N 3.07Å; D278-Y318 HydrophobicContact CB-CD2 4.07Å; D278-Y318 HydrophobicContact CB-CE2 3.99Å
279A97.9Very high96.7Very high0 Ų011.9 Ų11.90%06%0.06CC..THydrogen-bonded Turntrans-73.7-10162.400000113V186 M288 L290V186-A279 HydrophobicContact CB-CB 3.96Å; V186-A279 HydrophobicContact CG2-CB 4.05Å; A279-M288 HydrophobicContact CB-CB 4.14Å; A279-M288 HydrophobicContact CB-CG 4.36Å; A279-M288 CarbonylContact O-C 3.59Å; A279-M288 WeakPolarHBondContact O-CB 3.5Å; A279-L290 HydrophobicContact CB-CD1 4.27Å; A279-L290 HydrophobicContact CB-CD2 4.09Å; A279-L290 WeakPolarHBondContact O-CB 3.44Å; A279-L290 PolarHBondContact O-N 3.15Å
280A97.7Very high96.7Very high1 Ų19.7 Ų9.71%0.0085%0.048CC..BIsolated β-bridgetrans-72.6148-17900000111.6F277 D278 C283 L290 F295 S322F277-A280 WeakPolarHBondContact O-CB 3.49Å; F277-A280 PolarHBondContact O-N 2.74Å; D278-A280 PolarHBondContact O-N 2.76Å; A280-C283 VanDerWaalsContact O-CB 3.28Å; A280-C283 WeakPolarHBondContact O-CB 3.48Å; A280-C283 PolarHBondContact O-N 2.76Å; A280-C283 VanDerWaalsContact O-N 3.1Å; A280-L290 CarbonylContact C-O 3.54Å; A280-L290 WeakPolarHBondContact CA-O 3.26Å; A280-F295 HydrophobicContact CB-CE2 3.72Å; A280-F295 HydrophobicContact CB-CZ 4.01Å; A280-S322 WeakPolarHBondContact CB-OG 3.47Å
281I95.7Very high96.6Very high8 Ų810.2 Ų10.24%0.0415%0.052CC..THydrogen-bonded Turntrans-52.4141.2174.5-159.6166000111C283 L290 S322 N416 E419 L420I281-C283 VanDerWaalsContact C-N 3.29Å; I281-C283 PolarHBondContact O-N 2.92Å; I281-L290 PolarHBondContact N-O 2.78Å; I281-S322 WeakPolarHBondContact O-CB 3.39Å; I281-S322 PolarHBondContact O-OG 2.74Å; I281-N416 HydrophobicContact CD1-CB 4.4Å; I281-N416 HydrophobicContact CG1-CB 3.89Å; I281-E419 HydrophobicContact CD1-CB 3.3Å; I281-E419 HydrophobicContact CD1-CG 4.44Å; I281-E419 HydrophobicContact CG1-CB 4.27Å; I281-L420 HydrophobicContact CG2-CB 4.41Å; I281-L420 HydrophobicContact CG2-CD1 3.92Å
282G94.9Very high96.6Very high0 Ų010.2 Ų10.20%05%0.052CC..BIsolated β-bridgetrans90.7-26.4-174.600000114.3L414 S415G282-L414 WeakPolarHBondContact O-CA 3.22Å; G282-L414 WeakPolarHBondContact O-CD2 3.27Å; G282-S415 WeakPolarHBondContact CA-O 3.37Å; G282-S415 PolarHBondContact N-O 3.3Å; G282-S415 VanDerWaalsContact N-O 3.12Å; G282-S415 PolarHBondContact O-N 2.9Å
283C95.9Very high96.5Very high0 Ų010.4 Ų10.40%05%0.053CC..  trans-68.5129.9-173.7-172.30000111.7D278 A280 I281 E285 C319 S415D278-C283 WeakPolarHBondContact CA-SG 3.29Å; D278-C283 HydrophobicContact CB-CB 4.47Å; D278-C283 WeakPolarHBondContact CB-SG 3.49Å; D278-C283 VanDerWaalsContact O-CB 3.27Å; D278-C283 WeakPolarHBondContact O-CB 3.48Å; A280-C283 VanDerWaalsContact O-CB 3.28Å; A280-C283 WeakPolarHBondContact O-CB 3.48Å; A280-C283 PolarHBondContact O-N 2.76Å; A280-C283 VanDerWaalsContact O-N 3.1Å; I281-C283 VanDerWaalsContact C-N 3.29Å; I281-C283 PolarHBondContact O-N 2.92Å; C283-E285 VanDerWaalsContact C-N 3.27Å; C283-E285 PolarHBondContact O-N 3.48Å; C283-C319 HydrophobicContact CB-CB 4.47Å; C283-S415 PolarHBondContact N-OG 3.4Å; C283-S415 WeakPolarHBondContact O-CB 3.5Å; C283-S415 PolarHBondContact O-OG 3.48Å
284P93.2Very high96.5Very high19 Ų1910.4 Ų10.412%0.1235%0.052CC..THydrogen-bonded Turntrans-69.2-19.8-179.926.5-35.6000114.3V38V38-P284 HydrophobicContact CG1-CG 4.35Å
285E92.1Very high96.5Very high69 Ų6910.4 Ų10.432%0.3225%0.052SC..THydrogen-bonded Turntrans-95.6-29.3-172.6-59-57.914000113.8F215 C283 Y318F215-E285 WeakPolarHBondContact CZ-O 3.36Å; C283-E285 VanDerWaalsContact C-N 3.27Å; C283-E285 PolarHBondContact O-N 3.48Å; E285-Y318 HydrophobicContact CB-CD2 3.9Å; E285-Y318 HydrophobicContact CB-CE2 4.12Å; E285-Y318 HydrophobicContact CG-CD2 3.36Å; E285-Y318 HydrophobicContact CG-CE2 3.74Å; E285-Y318 HydrophobicContact CG-CG 4.21Å
286G92.8Very high96.5Very high0 Ų010.4 Ų10.40%05%0.052CC..THydrogen-bonded Turntrans-90.2-32.8-169.300000116.9R209 D278 M288R209-G286 VanDerWaalsContact CD-O 3.23Å; R209-G286 WeakPolarHBondContact CD-O 3.48Å; R209-G286 PolarHBondContact NH1-O 3.45Å; R209-G286 VanDerWaalsContact NH1-O 3.1Å; D278-G286 WeakPolarHBondContact O-CA 3.48Å; D278-G286 PolarHBondContact O-N 3.07Å; G286-M288 PolarHBondContact O-N 3.27Å
287N93.3Very high96.4Very high50 Ų5012.7 Ų12.727%0.2676%0.063SC..  trans47.642.5-168.9-64.4-19.6000114R209 I244 N245R209-N287 PolarHBondContact NH1-ND2 2.89Å; I244-N287 HydrophobicContact CB-CB 4.45Å; I244-N287 HydrophobicContact CG2-CB 4.29Å; N245-N287 PolarHBondContact N-O 3.19Å
288M96.1Very high96.5Very high0 Ų012.5 Ų12.50%06%0.062CC..  trans-117.5172.5172.4-65-62.5177.400109.6V186 R209 L241 D243 L246 A279 G286 L290V186-M288 HydrophobicContact CG2-CG 3.93Å; R209-M288 HydrophobicContact CB-CE 3.62Å; R209-M288 HydrophobicContact CG-CE 3.77Å; L241-M288 HydrophobicContact CB-CE 4.25Å; L241-M288 HydrophobicContact CD1-CE 4.11Å; D243-M288 WeakPolarHBondContact O-CE 3.33Å; L246-M288 HydrophobicContact CB-SD 3.81Å; L246-M288 HydrophobicContact CD1-SD 4.44Å; A279-M288 HydrophobicContact CB-CB 4.14Å; A279-M288 HydrophobicContact CB-CG 4.36Å; A279-M288 CarbonylContact O-C 3.59Å; A279-M288 WeakPolarHBondContact O-CB 3.5Å; G286-M288 PolarHBondContact O-N 3.27Å; M288-L290 HydrophobicContact CB-CD1 4.19Å
289K95.4Very high96.5Very high52 Ų5212.6 Ų12.623%0.2266%0.063CC..BIsolated β-bridgetrans-125.131.6-173.5-69.4-170.4175.6-153.70113N245 L246 D247 S291 E419N245-K289 HydrophobicContact CB-CD 4.05Å; N245-K289 HydrophobicContact CB-CG 4.27Å; N245-K289 VanDerWaalsContact OD1-CE 3.32Å; N245-K289 WeakPolarHBondContact OD1-CE 3.31Å; L246-K289 PolarHBondContact O-N 3.41Å; D247-K289 HydrophobicContact CB-CB 4.07Å; K289-S291 PolarHBondContact O-N 3.18Å; K289-E419 WeakPolarHBondContact CD-OE2 3.47Å; K289-E419 WeakPolarHBondContact CE-OE2 3.43Å; K289-E419 VanDerWaalsContact NZ-CD 3.3Å; K289-E419 IonicContact NZ-OE1 3.51Å; K289-E419 PolarHBondContact NZ-OE1 3Å; K289-E419 IonicContact NZ-OE2 2.65Å; K289-E419 PolarHBondContact NZ-OE2 3.4Å
290L97.4Very high96.5Very high0 Ų016 Ų160%08%0.081CC..BIsolated β-bridgetrans-67.5128.2176.4-82.664.8000109.4D248 Y251 A279 A280 I281 M288 V294 F295D248-L290 WeakPolarHBondContact OD1-CA 3.41Å; Y251-L290 HydrophobicContact CD1-CD2 3.64Å; Y251-L290 HydrophobicContact CD2-CD1 3.62Å; Y251-L290 HydrophobicContact CD2-CD2 4.09Å; Y251-L290 HydrophobicContact CD2-CG 4.19Å; Y251-L290 HydrophobicContact CE1-CD2 3.75Å; Y251-L290 HydrophobicContact CE2-CD1 3.52Å; Y251-L290 HydrophobicContact CE2-CD2 4.23Å; Y251-L290 HydrophobicContact CE2-CG 4.4Å; Y251-L290 HydrophobicContact CG-CD1 4.18Å; Y251-L290 HydrophobicContact CG-CD2 3.79Å; Y251-L290 HydrophobicContact CG-CG 4.27Å; A279-L290 HydrophobicContact CB-CD1 4.27Å; A279-L290 HydrophobicContact CB-CD2 4.09Å; A279-L290 WeakPolarHBondContact O-CB 3.44Å; A279-L290 PolarHBondContact O-N 3.15Å; A280-L290 CarbonylContact C-O 3.54Å; A280-L290 WeakPolarHBondContact CA-O 3.26Å; I281-L290 PolarHBondContact N-O 2.78Å; M288-L290 HydrophobicContact CB-CD1 4.19Å; L290-V294 HydrophobicContact CB-CG1 3.83Å; L290-V294 HydrophobicContact CD2-CG1 3.8Å; L290-V294 HydrophobicContact CG-CG1 3.82Å; L290-F295 HydrophobicContact CB-CE2 4.07Å; L290-F295 HydrophobicContact CB-CZ 4.06Å; L290-F295 HydrophobicContact CD2-CE1 4.04Å; L290-F295 HydrophobicContact CD2-CE2 4.44Å; L290-F295 HydrophobicContact CD2-CZ 3.78Å
291S97Very high96.5Very high11 Ų1117.9 Ų17.98%0.0779%0.09CC..  trans-72148.1170.677.50000109.6D248 K289 Q293 V294D248-S291 VanDerWaalsContact CG-OG 3.3Å; D248-S291 PolarHBondContact OD1-N 3.11Å; D248-S291 PolarHBondContact OD1-OG 3.13Å; D248-S291 VanDerWaalsContact OD2-CB 3.27Å; D248-S291 WeakPolarHBondContact OD2-CB 3.39Å; D248-S291 PolarHBondContact OD2-OG 2.72Å; K289-S291 PolarHBondContact O-N 3.18Å; S291-Q293 VanDerWaalsContact CB-OE1 3.25Å; S291-Q293 PolarHBondContact O-N 2.98Å; S291-Q293 VanDerWaalsContact O-N 3.09Å; S291-Q293 WeakPolarHBondContact OG-CB 3.48Å; S291-Q293 PolarHBondContact OG-OE1 3.11Å; S291-V294 VanDerWaalsContact O-CG1 3.28Å; S291-V294 WeakPolarHBondContact O-CG1 3.44Å; S291-V294 PolarHBondContact O-N 2.88Å; S291-V294 VanDerWaalsContact O-N 3.09Å; S291-V294 PolarHBondContact OG-N 2.87Å
292P98.1Very high96.6Very high0 Ų017.5 Ų17.50%09%0.088CC..Hα-helixtrans-52.2-32171.4-30.338.1000113.9V294 F295 W325 S326 C329 V423 L427P292-V294 VanDerWaalsContact C-N 3.32Å; P292-V294 PolarHBondContact O-N 3.38Å; P292-F295 PolarHBondContact O-N 3.32Å; P292-W325 HydrophobicContact CB-CB 3.64Å; P292-W325 HydrophobicContact CG-CB 3.88Å; P292-S326 WeakPolarHBondContact CA-OG 3.46Å; P292-C329 VanDerWaalsContact O-CB 3.22Å; P292-C329 WeakPolarHBondContact O-CB 3.4Å; P292-C329 PolarHBondContact O-SG 3.32Å; P292-C329 VanDerWaalsContact O-SG 3.41Å; P292-V423 HydrophobicContact CG-CG1 4.36Å; P292-L427 HydrophobicContact CB-CD1 3.93Å; P292-L427 HydrophobicContact CG-CD1 4.04Å
293Q97.8Very high96.7Very high5 Ų518 Ų182%0.0239%0.091CC..Hα-helixtrans-56.7-43.2178-63.285.5-42.200111.8S291 F295 G296 H297 F340 L342 L427S291-Q293 VanDerWaalsContact CB-OE1 3.25Å; S291-Q293 PolarHBondContact O-N 2.98Å; S291-Q293 VanDerWaalsContact O-N 3.09Å; S291-Q293 WeakPolarHBondContact OG-CB 3.48Å; S291-Q293 PolarHBondContact OG-OE1 3.11Å; Q293-F295 VanDerWaalsContact C-N 3.27Å; Q293-F295 PolarHBondContact O-N 3.33Å; Q293-G296 PolarHBondContact O-N 3.18Å; Q293-H297 PolarHBondContact O-CD2 3.45Å; Q293-F340 HydrophobicContact CB-CB 4.03Å; Q293-F340 HydrophobicContact CG-CB 3.35Å; Q293-F340 HydrophobicContact CG-CD2 4.46Å; Q293-F340 HydrophobicContact CG-CG 4.14Å; Q293-L342 HydrophobicContact CB-CD2 3.53Å; Q293-L427 HydrophobicContact CG-CD2 3.8Å
294V98.1Very high96.6Very high0 Ų023 Ų230%012%0.123CC..Hα-helixtrans-61.3-35.3-17283.10000112.1D248 I252 L290 S291 P292 G296 H297 L298 L342D248-V294 HydrophobicContact CB-CB 4.15Å; D248-V294 HydrophobicContact CB-CG2 3.86Å; D248-V294 WeakPolarHBondContact OD1-CB 3.28Å; D248-V294 WeakPolarHBondContact OD1-CG1 3.37Å; I252-V294 HydrophobicContact CD1-CG2 3.97Å; I252-V294 HydrophobicContact CG1-CG2 3.99Å; L290-V294 HydrophobicContact CB-CG1 3.83Å; L290-V294 HydrophobicContact CD2-CG1 3.8Å; L290-V294 HydrophobicContact CG-CG1 3.82Å; S291-V294 VanDerWaalsContact O-CG1 3.28Å; S291-V294 WeakPolarHBondContact O-CG1 3.44Å; S291-V294 PolarHBondContact O-N 2.88Å; S291-V294 VanDerWaalsContact O-N 3.09Å; S291-V294 PolarHBondContact OG-N 2.87Å; P292-V294 VanDerWaalsContact C-N 3.32Å; P292-V294 PolarHBondContact O-N 3.38Å; V294-G296 PolarHBondContact O-N 3.38Å; V294-H297 CarbonylContact O-C 3.06Å; V294-H297 WeakPolarHBondContact O-CA 3.33Å; V294-H297 WeakPolarHBondContact O-CB 3.35Å; V294-H297 PolarHBondContact O-N 3.39Å; V294-L298 HydrophobicContact CG2-CD2 4.24Å; V294-L298 HydrophobicContact CG2-CG 4.35Å; V294-L298 WeakPolarHBondContact O-CG 3.39Å; V294-L298 PolarHBondContact O-N 2.73Å; V294-L342 HydrophobicContact CB-CD2 4.06Å; V294-L342 HydrophobicContact CG2-CD1 4.2Å; V294-L342 HydrophobicContact CG2-CD2 4.39Å
295F98.8Very high96.7Very high0 Ų023.1 Ų23.10%012%0.123CC..Hα-helixtrans-61.6-30.9178.8-62.6-79.1000112.8W184 F277 A280 L290 P292 Q293 L298 T299 S326 V330W184-F295 HydrophobicContact CZ2-CD1 4.36Å; W184-F295 AromaticContact NE1-CD1 3.71Å; W184-F295 AromaticContact NE1-CE1 3.91Å; F277-F295 HydrophobicContact CD1-CB 4.44Å; F277-F295 AromaticContact CD1-CD1 3.69Å; F277-F295 HydrophobicContact CD1-CD1 3.69Å; F277-F295 AromaticContact CD1-CD2 3.92Å; F277-F295 HydrophobicContact CD1-CD2 3.92Å; F277-F295 AromaticContact CD1-CE1 3.79Å; F277-F295 HydrophobicContact CD1-CE1 3.79Å; F277-F295 HydrophobicContact CD1-CE2 4.02Å; F277-F295 AromaticContact CD1-CG 3.75Å; F277-F295 HydrophobicContact CD1-CG 3.75Å; F277-F295 AromaticContact CD1-CZ 3.95Å; F277-F295 HydrophobicContact CD1-CZ 3.95Å; F277-F295 HydrophobicContact CE1-CB 3.95Å; F277-F295 AromaticContact CE1-CD1 3.76Å; F277-F295 HydrophobicContact CE1-CD1 3.76Å; F277-F295 HydrophobicContact CE1-CD2 4.27Å; F277-F295 HydrophobicContact CE1-CE1 4.32Å; F277-F295 AromaticContact CE1-CG 3.73Å; F277-F295 HydrophobicContact CE1-CG 3.73Å; A280-F295 HydrophobicContact CB-CE2 3.72Å; A280-F295 HydrophobicContact CB-CZ 4.01Å; L290-F295 HydrophobicContact CB-CE2 4.07Å; L290-F295 HydrophobicContact CB-CZ 4.06Å; L290-F295 HydrophobicContact CD2-CE1 4.04Å; L290-F295 HydrophobicContact CD2-CE2 4.44Å; L290-F295 HydrophobicContact CD2-CZ 3.78Å; P292-F295 PolarHBondContact O-N 3.32Å; Q293-F295 VanDerWaalsContact C-N 3.27Å; Q293-F295 PolarHBondContact O-N 3.33Å; F295-L298 HydrophobicContact CD1-CD1 4.48Å; F295-T299 WeakPolarHBondContact O-CB 3.47Å; F295-T299 PolarHBondContact O-N 3.45Å; F295-T299 PolarHBondContact O-OG1 3.18Å; F295-S326 WeakPolarHBondContact CD2-OG 3.01Å; F295-V330 HydrophobicContact CB-CG2 3.85Å
296G98.5Very high96.8Very high0 Ų020.1 Ų20.10%011%0.11CC..Hα-helixtrans-64.9-41.8169.700000112.2Q293 V294 N300 C329 A333Q293-G296 PolarHBondContact O-N 3.18Å; V294-G296 PolarHBondContact O-N 3.38Å; G296-N300 VanDerWaalsContact O-CB 3.31Å; G296-N300 WeakPolarHBondContact O-CB 3.34Å; G296-N300 PolarHBondContact O-N 3.14Å; G296-C329 WeakPolarHBondContact CA-O 3.33Å; G296-A333 VanDerWaalsContact O-CB 3.27Å; G296-A333 WeakPolarHBondContact O-CB 3.46Å
297H98.4Very high96.8Very high48 Ų4821.9 Ų21.922%0.22213%0.127CC..Hα-helixtrans-68.6-42.3176.1-70.9-91.9000112.6I252 Q293 V294 T299 N300 M301 F340 L342I252-H297 HydrophobicContact CD1-CB 4.11Å; Q293-H297 PolarHBondContact O-CD2 3.45Å; V294-H297 CarbonylContact O-C 3.06Å; V294-H297 WeakPolarHBondContact O-CA 3.33Å; V294-H297 WeakPolarHBondContact O-CB 3.35Å; V294-H297 PolarHBondContact O-N 3.39Å; H297-T299 VanDerWaalsContact C-N 3.33Å; H297-T299 PolarHBondContact O-N 2.97Å; H297-N300 PolarHBondContact O-N 3.2Å; H297-M301 WeakPolarHBondContact O-CG 3.43Å; H297-M301 PolarHBondContact O-N 3.49Å; H297-F340 PolarHBondContact NE2-O 3.21Å; H297-L342 HydrophobicContact CB-CD1 4.22Å
298L98.7Very high96.8Very high0 Ų023 Ų230%013%0.133CC..Hα-helixtrans-58.3-47.2174.6-59.2-168.5000110.8W184 Y251 I252 F255 V294 F295 N300 M301 L302W184-L298 HydrophobicContact CD2-CD1 4.42Å; W184-L298 HydrophobicContact CE3-CB 4.21Å; W184-L298 HydrophobicContact CE3-CD1 4.23Å; W184-L298 HydrophobicContact CH2-CB 4.21Å; W184-L298 HydrophobicContact CZ3-CB 3.78Å; Y251-L298 HydrophobicContact CD1-CD1 4.36Å; I252-L298 HydrophobicContact CD1-CD2 4.01Å; F255-L298 HydrophobicContact CD1-CD2 4.24Å; F255-L298 HydrophobicContact CD2-CD2 3.61Å; F255-L298 HydrophobicContact CE1-CB 3.98Å; F255-L298 HydrophobicContact CE1-CD2 4.3Å; F255-L298 HydrophobicContact CE2-CB 4.25Å; F255-L298 HydrophobicContact CE2-CD1 3.83Å; F255-L298 HydrophobicContact CE2-CD2 3.69Å; F255-L298 HydrophobicContact CE2-CG 4.1Å; F255-L298 HydrophobicContact CG-CD2 3.89Å; F255-L298 HydrophobicContact CZ-CB 3.79Å; F255-L298 HydrophobicContact CZ-CD1 4.1Å; F255-L298 HydrophobicContact CZ-CD2 4.05Å; F255-L298 HydrophobicContact CZ-CG 4.16Å; V294-L298 HydrophobicContact CG2-CD2 4.24Å; V294-L298 HydrophobicContact CG2-CG 4.35Å; V294-L298 WeakPolarHBondContact O-CG 3.39Å; V294-L298 PolarHBondContact O-N 2.73Å; F295-L298 HydrophobicContact CD1-CD1 4.48Å; L298-N300 PolarHBondContact O-N 3.02Å; L298-M301 HydrophobicContact CD2-CE 3.55Å; L298-M301 PolarHBondContact O-N 2.89Å; L298-L302 PolarHBondContact O-N 2.94Å
299T98.8Very high96.8Very high1 Ų127.9 Ų27.91%0.00615%0.152CC..Hα-helixtrans-58.9-48.9174.8-57.50000111.1F295 H297 M301 L302 M303 L310 V330 A333 L334F295-T299 WeakPolarHBondContact O-CB 3.47Å; F295-T299 PolarHBondContact O-N 3.45Å; F295-T299 PolarHBondContact O-OG1 3.18Å; H297-T299 VanDerWaalsContact C-N 3.33Å; H297-T299 PolarHBondContact O-N 2.97Å; T299-M301 VanDerWaalsContact C-N 3.28Å; T299-M301 PolarHBondContact O-N 3.33Å; T299-L302 PolarHBondContact O-N 3.34Å; T299-M303 WeakPolarHBondContact O-CG 3.45Å; T299-M303 PolarHBondContact O-N 2.91Å; T299-M303 VanDerWaalsContact O-N 3.14Å; T299-L310 HydrophobicContact CG2-CD2 4.04Å; T299-V330 HydrophobicContact CG2-CG1 4.19Å; T299-A333 HydrophobicContact CG2-CB 3.82Å; T299-L334 HydrophobicContact CG2-CD2 4.31Å; T299-L334 HydrophobicContact CG2-CG 4.34Å
300N97.6Very high97Very high73 Ų7325.5 Ų25.539%0.3914%0.142SC..Hα-helixtrans-62.8-32.3-179.4-178.472.7000112.9G296 H297 L298 L302 M303 P304 A333 L339G296-N300 VanDerWaalsContact O-CB 3.31Å; G296-N300 WeakPolarHBondContact O-CB 3.34Å; G296-N300 PolarHBondContact O-N 3.14Å; H297-N300 PolarHBondContact O-N 3.2Å; L298-N300 PolarHBondContact O-N 3.02Å; N300-L302 VanDerWaalsContact C-N 3.3Å; N300-L302 PolarHBondContact O-N 2.89Å; N300-M303 PolarHBondContact O-N 3.27Å; N300-P304 WeakPolarHBondContact O-CD 3.36Å; N300-A333 HydrophobicContact CB-CB 4.34Å; N300-L339 HydrophobicContact CB-CD1 3.73Å
301M98.1Very high97.1Very high39 Ų3925.5 Ų25.519%0.19214%0.142CC..Hα-helixtrans-67.4-28.8173.8-73.9-173.3-71.500113I252 F255 R256 V260 H297 L298 T299I252-M301 HydrophobicContact CD1-CE 3.5Å; I252-M301 VanDerWaalsContact CD1-CE 3.5Å; F255-M301 HydrophobicContact CB-CE 3.48Å; F255-M301 VanDerWaalsContact CB-CE 3.48Å; F255-M301 HydrophobicContact CB-SD 3.92Å; F255-M301 HydrophobicContact CD1-CB 4.14Å; F255-M301 HydrophobicContact CD1-CE 3.67Å; F255-M301 HydrophobicContact CD1-SD 4.43Å; F255-M301 HydrophobicContact CG-CE 3.67Å; R256-M301 HydrophobicContact CG-SD 4.44Å; V260-M301 HydrophobicContact CG2-CB 4.12Å; H297-M301 WeakPolarHBondContact O-CG 3.43Å; H297-M301 PolarHBondContact O-N 3.49Å; L298-M301 HydrophobicContact CD2-CE 3.55Å; L298-M301 PolarHBondContact O-N 2.89Å; T299-M301 VanDerWaalsContact C-N 3.28Å; T299-M301 PolarHBondContact O-N 3.33Å
302L98.3Very high97.2Very high0 Ų025 Ų250%014%0.138CC..Hα-helixtrans-83.4-23.6176.9-63.9174.6000113.4V182 W184 F255 I259 V273 L298 T299 N300 I305 A306 L310V182-L302 HydrophobicContact CB-CD1 4.29Å; V182-L302 HydrophobicContact CG1-CD1 4.46Å; V182-L302 HydrophobicContact CG2-CD1 4.22Å; V182-L302 HydrophobicContact CG2-CD2 4.05Å; W184-L302 HydrophobicContact CZ3-CD1 3.98Å; F255-L302 HydrophobicContact CE1-CD1 4.14Å; F255-L302 HydrophobicContact CE1-CD2 4.1Å; F255-L302 HydrophobicContact CE1-CG 3.94Å; I259-L302 HydrophobicContact CG2-CD2 4.14Å; V273-L302 HydrophobicContact CG2-CD1 3.54Å; L298-L302 PolarHBondContact O-N 2.94Å; T299-L302 PolarHBondContact O-N 3.34Å; N300-L302 VanDerWaalsContact C-N 3.3Å; N300-L302 PolarHBondContact O-N 2.89Å; L302-I305 HydrophobicContact CD2-CD1 4.26Å; L302-I305 WeakPolarHBondContact O-CB 3.42Å; L302-I305 PolarHBondContact O-N 2.92Å; L302-I305 VanDerWaalsContact O-N 3.15Å; L302-A306 WeakPolarHBondContact O-CB 2.88Å; L302-A306 PolarHBondContact O-N 3.1Å; L302-L310 HydrophobicContact CB-CD1 4.4Å
303M96.8Very high97.2Very high11 Ų1125 Ų255%0.05414%0.138CC..Hα-helixtrans-60.2-43.9-177.2-73.7173.370.700113.9T299 N300 I305 A306 G307 L310 A333 R336T299-M303 WeakPolarHBondContact O-CG 3.45Å; T299-M303 PolarHBondContact O-N 2.91Å; T299-M303 VanDerWaalsContact O-N 3.14Å; N300-M303 PolarHBondContact O-N 3.27Å; M303-I305 VanDerWaalsContact C-N 3.27Å; M303-I305 PolarHBondContact O-N 3.41Å; M303-A306 PolarHBondContact O-N 3.02Å; M303-G307 VanDerWaalsContact O-CA 3.32Å; M303-G307 WeakPolarHBondContact O-CA 3.29Å; M303-G307 PolarHBondContact O-N 3.04Å; M303-L310 HydrophobicContact CG-CD2 3.85Å; M303-A333 WeakPolarHBondContact CE-O 3.49Å; M303-A333 HydrophobicContact SD-CB 4.42Å; M303-R336 HydrophobicContact CE-CG 3.9Å
304P93.6Very high97.3Very high105 Ų10525 Ų2568%0.68214%0.138SC*.Hα-helixtrans-62.4-31.7174.4-25.934.9000114N300N300-P304 WeakPolarHBondContact O-CD 3.36Å
305I95.2Very high97.3Very high22 Ų2225 Ų2511%0.11314%0.138CC..Hα-helixtrans-72-46.6177-66.2156.1000110L180 V260 A263 L264 P268 V271 L302 M303L180-I305 HydrophobicContact CD2-CG2 4.42Å; V260-I305 HydrophobicContact CB-CD1 4.41Å; V260-I305 HydrophobicContact CG1-CD1 4.31Å; V260-I305 HydrophobicContact CG2-CD1 4.17Å; A263-I305 HydrophobicContact CB-CD1 3.68Å; A263-I305 HydrophobicContact CB-CG1 4.29Å; A263-I305 HydrophobicContact CB-CG2 3.86Å; L264-I305 HydrophobicContact CD2-CG1 3.88Å; L264-I305 HydrophobicContact CG-CG1 4.14Å; P268-I305 HydrophobicContact CG-CG2 3.74Å; V271-I305 HydrophobicContact CG2-CG2 4.35Å; L302-I305 HydrophobicContact CD2-CD1 4.26Å; L302-I305 WeakPolarHBondContact O-CB 3.42Å; L302-I305 PolarHBondContact O-N 2.92Å; L302-I305 VanDerWaalsContact O-N 3.15Å; M303-I305 VanDerWaalsContact C-N 3.27Å; M303-I305 PolarHBondContact O-N 3.41Å
306A94.3Very high97.2Very high6 Ų625 Ų255%0.0514%0.138CC..Hα-helixtrans-78.4-21.5-177.300000113.5V271 L302 M303 N308 R309 L310V271-A306 HydrophobicContact CB-CB 3.85Å; V271-A306 HydrophobicContact CG2-CB 3.55Å; L302-A306 WeakPolarHBondContact O-CB 2.88Å; L302-A306 PolarHBondContact O-N 3.1Å; M303-A306 PolarHBondContact O-N 3.02Å; A306-N308 PolarHBondContact O-N 3.41Å; A306-R309 WeakPolarHBondContact O-CB 3.36Å; A306-R309 PolarHBondContact O-N 3.32Å; A306-L310 HydrophobicContact CB-CB 3.76Å; A306-L310 HydrophobicContact CB-CD1 4.36Å
307G91.7Very high97.1Very high36 Ų3625 Ų2537%0.37114%0.138SC..THydrogen-bonded Turntrans59-116.4-163.300000110.7M303M303-G307 VanDerWaalsContact O-CA 3.32Å; M303-G307 WeakPolarHBondContact O-CA 3.29Å; M303-G307 PolarHBondContact O-N 3.04Å
308N93.4Very high97Very high74 Ų7423.7 Ų23.740%0.39613%0.131SC..THydrogen-bonded Turntrans-95.83.6175.4-73.2-14.6000113.1A136 G137 A306A136-N308 HydrophobicContact CB-CB 4.43Å; G137-N308 PolarHBondContact N-O 3.2Å; A306-N308 PolarHBondContact O-N 3.41Å
309R97.7Very high96.9Very high103 Ų10323.9 Ų23.939%0.38913%0.133SC..  trans-10750.7-170.8-66175.8-78.1165.7-13.4112.1V130 D269 L270 V271 A306V130-R309 HydrophobicContact CG2-CB 4.46Å; D269-R309 WeakPolarHBondContact O-CD 3.32Å; D269-R309 PolarHBondContact O-NE 3.39Å; D269-R309 PolarHBondContact O-NH1 3.01Å; L270-R309 HydrophobicContact CD1-CB 4.25Å; L270-R309 WeakPolarHBondContact CD1-O 3.32Å; V271-R309 PolarHBondContact N-O 3.32Å; A306-R309 WeakPolarHBondContact O-CB 3.36Å; A306-R309 PolarHBondContact O-N 3.32Å
310L98.8Very high96.9Very high2 Ų227 Ų271%0.0115%0.149CC..EExtended strand (participates in β ladder)trans-109.2127.1177.1-178.361.2000110.4G137 C138 V271 V273 T299 L302 M303 A306 V312 L334G137-L310 CarbonylContact C-O 3.55Å; G137-L310 WeakPolarHBondContact CA-O 3.46Å; C138-L310 PolarHBondContact N-O 2.89Å; V271-L310 HydrophobicContact CB-CD1 3.85Å; V271-L310 HydrophobicContact CG1-CD1 3.67Å; V271-L310 CarbonylContact O-C 3.6Å; V271-L310 WeakPolarHBondContact O-CA 3.38Å; V273-L310 HydrophobicContact CG2-CD1 3.87Å; T299-L310 HydrophobicContact CG2-CD2 4.04Å; L302-L310 HydrophobicContact CB-CD1 4.4Å; M303-L310 HydrophobicContact CG-CD2 3.85Å; A306-L310 HydrophobicContact CB-CB 3.76Å; A306-L310 HydrophobicContact CB-CD1 4.36Å; L310-V312 HydrophobicContact CD2-CG2 4.43Å; L310-V312 HydrophobicContact CG-CG2 4.24Å; L310-L334 HydrophobicContact CD2-CD2 4.05Å
311V98.9Very high96.8Very high0 Ų027.2 Ų27.20%015%0.148CC..EExtended strand (participates in β ladder)trans-120.5117.5173.1178.40000109.2V123 A126 V130 C138 L270 V271 F272 V273V123-V311 HydrophobicContact CG1-CG1 3.98Å; A126-V311 HydrophobicContact CB-CG1 3.63Å; A126-V311 HydrophobicContact CB-CG2 4.14Å; V130-V311 HydrophobicContact CG1-CG2 4.31Å; V130-V311 HydrophobicContact CG2-CG2 3.64Å; C138-V311 WeakPolarHBondContact O-CA 3.41Å; L270-V311 HydrophobicContact CD1-CG2 4.25Å; V271-V311 PolarHBondContact O-N 2.94Å; F272-V311 CarbonylContact C-O 3.5Å; F272-V311 VanDerWaalsContact CA-O 3.29Å; F272-V311 WeakPolarHBondContact CA-O 3.46Å; F272-V311 HydrophobicContact CD1-CB 3.61Å; F272-V311 HydrophobicContact CD1-CG1 3.78Å; F272-V311 HydrophobicContact CD1-CG2 4.37Å; F272-V311 HydrophobicContact CE1-CB 3.77Å; F272-V311 HydrophobicContact CE1-CG1 3.83Å; F272-V311 HydrophobicContact CE1-CG2 4.07Å; V273-V311 PolarHBondContact N-O 3.43Å
312V98.9Very high96.8Very high1 Ų125.4 Ų25.41%0.00614%0.139CC..EExtended strand (participates in β ladder)trans-100.5126.3174.2-172.90000108.8C138 I139 A140 V273 A275 L310 V330C138-V312 PolarHBondContact O-N 3.17Å; I139-V312 CarbonylContact C-O 3.59Å; I139-V312 VanDerWaalsContact CA-O 3.27Å; I139-V312 WeakPolarHBondContact CA-O 3.36Å; I139-V312 HydrophobicContact CB-CB 4.39Å; I139-V312 HydrophobicContact CD1-CG1 4.42Å; I139-V312 HydrophobicContact CG1-CB 4.12Å; I139-V312 HydrophobicContact CG1-CG1 4.33Å; A140-V312 PolarHBondContact N-O 3.35Å; V273-V312 HydrophobicContact CB-CB 4.49Å; V273-V312 HydrophobicContact CB-CG1 4.25Å; V273-V312 HydrophobicContact CB-CG2 4.28Å; V273-V312 HydrophobicContact CG1-CG1 4.38Å; V273-V312 HydrophobicContact CG2-CG2 4.41Å; A275-V312 HydrophobicContact CB-CG1 3.46Å; A275-V312 VanDerWaalsContact CB-CG1 3.46Å; L310-V312 HydrophobicContact CD2-CG2 4.43Å; L310-V312 HydrophobicContact CG-CG2 4.24Å; V312-V330 HydrophobicContact CB-CG1 4.46Å; V312-V330 HydrophobicContact CG1-CG1 4.11Å; V312-V330 HydrophobicContact CG2-CG1 4.22Å
313A98.9Very high96.8Very high0 Ų025.4 Ų25.40%014%0.139CC..EExtended strand (participates in β ladder)trans-116.3127.3178.200000109.9V123 I142 V163 V273 A275 E315V123-A313 HydrophobicContact CG1-CB 4.29Å; V123-A313 HydrophobicContact CG2-CB 3.82Å; I142-A313 HydrophobicContact CD1-CB 4.37Å; V163-A313 HydrophobicContact CG2-CB 3.84Å; V273-A313 PolarHBondContact O-N 3.21Å; A275-A313 WeakPolarHBondContact CA-O 3.45Å; A275-A313 WeakPolarHBondContact CB-O 3.28Å; A275-A313 PolarHBondContact N-O 3.2Å; A313-E315 PolarHBondContact O-N 2.79Å
314L98.9Very high96.9Very high4 Ų425.2 Ų25.22%0.02114%0.139CC..EExtended strand (participates in β ladder)trans-66.2126.4177.1176.360.3000110.9A140 I142 F277 L323A140-L314 PolarHBondContact O-N 3.06Å; I142-L314 HydrophobicContact CG1-CB 4.42Å; F277-L314 HydrophobicContact CD2-CD1 3.66Å; F277-L314 HydrophobicContact CE2-CD1 3.65Å; L314-L323 HydrophobicContact CD1-CD1 3.74Å
315E98.6Very high97.1Very high0 Ų020.8 Ų20.80%011%0.109CC..  trans-116.1-117.7176.9-61.7-68.8164.100110.5R43 P145 G146 H147 A275 A313R43-E315 PolarHBondContact NH1-O 3.22Å; R43-E315 PolarHBondContact NH2-O 3.46Å; P145-E315 WeakPolarHBondContact CB-OE2 3.48Å; G146-E315 PolarHBondContact N-OE2 3.44Å; H147-E315 HydrophobicContact CB-CG 4.39Å; H147-E315 IonicContact CD2-OE2 2.62Å; H147-E315 IonicContact CG-OE2 2.78Å; H147-E315 PolarHBondContact N-OE2 3.38Å; A275-E315 PolarHBondContact O-N 3.04Å; A313-E315 PolarHBondContact O-N 2.79Å
316G96.8Very high97.3Very high0 Ų019.8 Ų19.80%010%0.103CC..  trans-71.8-179.2176.900000115.1R43 D185 G276 F277R43-G316 PolarHBondContact NH2-O 3.05Å; R43-G316 VanDerWaalsContact NH2-O 3.17Å; D185-G316 VanDerWaalsContact OD2-CA 3.3Å; D185-G316 WeakPolarHBondContact OD2-CA 3.46Å; D185-G316 PolarHBondContact OD2-N 2.9Å; G276-G316 WeakPolarHBondContact CA-O 3.42Å; F277-G316 PolarHBondContact N-O 3.42Å
317G97.5Very high97.5Very high0 Ų019.5 Ų19.50%010%0.101CC..  trans118.3107.9-178.200000112.4R43 F277R43-G317 PolarHBondContact NE-O 3.22Å; R43-G317 PolarHBondContact NH2-O 2.86Å; F277-G317 VanDerWaalsContact C-CA 3.5Å
318Y96.7Very high97.9Very high20 Ų2017.8 Ų17.88%0.0788%0.083CC..  trans-1242.9-163.2-48.2-75.5000114.5V38 E39 F157 D278 E285V38-Y318 HydrophobicContact CB-CD1 4.14Å; V38-Y318 HydrophobicContact CB-CG 4.14Å; V38-Y318 HydrophobicContact CG2-CD1 4.19Å; V38-Y318 HydrophobicContact CG2-CG 4.32Å; E39-Y318 HydrophobicContact CB-CD1 4.49Å; E39-Y318 HydrophobicContact CB-CE1 4.03Å; E39-Y318 HydrophobicContact CG-CE1 4.18Å; F157-Y318 HydrophobicContact CD2-CE1 4.08Å; F157-Y318 AromaticContact CD2-CZ 3.89Å; F157-Y318 VanDerWaalsContact CD2-OH 3.3Å; F157-Y318 WeakPolarHBondContact CD2-OH 3.4Å; F157-Y318 HydrophobicContact CE2-CE1 4.03Å; F157-Y318 AromaticContact CE2-CZ 3.78Å; D278-Y318 HydrophobicContact CB-CD2 4.07Å; D278-Y318 HydrophobicContact CB-CE2 3.99Å; E285-Y318 HydrophobicContact CB-CD2 3.9Å; E285-Y318 HydrophobicContact CB-CE2 4.12Å; E285-Y318 HydrophobicContact CG-CD2 3.36Å; E285-Y318 HydrophobicContact CG-CE2 3.74Å; E285-Y318 HydrophobicContact CG-CG 4.21Å
319C96.6Very high98.1Very high5 Ų514.3 Ų14.33%0.0347%0.065CC..  trans-93110.4162.2172.30000108.2C283 E321 S322 L323 L414C283-C319 HydrophobicContact CB-CB 4.47Å; C319-E321 VanDerWaalsContact C-N 3.27Å; C319-E321 PolarHBondContact O-N 3.35Å; C319-S322 PolarHBondContact O-N 2.99Å; C319-L323 WeakPolarHBondContact O-CB 3.15Å; C319-L323 PolarHBondContact O-N 3.25Å; C319-L414 HydrophobicContact CB-CD2 3.95Å
320L97.1Very high98.2Very high66 Ų669.4 Ų9.435%0.3465%0.046SC..Hα-helixtrans-58-38.5-173.2-62.1-176000113.2D42 R43 S324D42-L320 HydrophobicContact CB-CD1 3.96Å; D42-L320 HydrophobicContact CB-CD2 4.3Å; R43-L320 HydrophobicContact CB-CD2 4.32Å; R43-L320 HydrophobicContact CG-CD2 3.93Å; L320-S324 VanDerWaalsContact O-CB 3.27Å; L320-S324 WeakPolarHBondContact O-CB 3.3Å; L320-S324 PolarHBondContact O-N 3.42Å; L320-S324 PolarHBondContact O-OG 3.43Å
321E97.1Very high98.1Very high77 Ų779.3 Ų9.336%0.365%0.046SC..Hα-helixtrans-69.1-53-179.4-173.3171.3-123.600111.2C319 L323 S324 W325 V424C319-E321 VanDerWaalsContact C-N 3.27Å; C319-E321 PolarHBondContact O-N 3.35Å; E321-L323 VanDerWaalsContact C-N 3.35Å; E321-L323 PolarHBondContact O-N 3.36Å; E321-S324 PolarHBondContact O-N 2.64Å; E321-W325 PolarHBondContact O-N 3.21Å; E321-W325 VanDerWaalsContact O-N 3.09Å; E321-V424 HydrophobicContact CG-CG1 4.22Å; E321-V424 HydrophobicContact CG-CG2 3.66Å
322S97.7Very high98.1Very high1 Ų110 Ų101%0.0075%0.049CC..Hα-helixtrans-61.6-42177.7-163.10000112.2A280 I281 C319 S326A280-S322 WeakPolarHBondContact CB-OG 3.47Å; I281-S322 WeakPolarHBondContact O-CB 3.39Å; I281-S322 PolarHBondContact O-OG 2.74Å; C319-S322 PolarHBondContact O-N 2.99Å; S322-S326 VanDerWaalsContact O-CB 3.26Å; S322-S326 WeakPolarHBondContact O-CB 3Å; S322-S326 PolarHBondContact O-N 3.24Å; S322-S326 PolarHBondContact O-OG 3.42Å
323L98.5Very high97.9Very high1 Ų110 Ų101%0.0055%0.049CC..Hα-helixtrans-58.3-50.9175172.364.3000111.4R43 T47 F277 L314 C319 E321 W325 S326 V327R43-L323 HydrophobicContact CB-CD2 3.92Å; R43-L323 HydrophobicContact CG-CD2 4.38Å; T47-L323 WeakPolarHBondContact OG1-CD2 3.19Å; T47-L323 WeakPolarHBondContact OG1-CG 3.4Å; F277-L323 HydrophobicContact CB-CD1 3.83Å; F277-L323 HydrophobicContact CD2-CD1 3.39Å; F277-L323 HydrophobicContact CE2-CD1 4.22Å; F277-L323 HydrophobicContact CG-CD1 3.87Å; L314-L323 HydrophobicContact CD1-CD1 3.74Å; C319-L323 WeakPolarHBondContact O-CB 3.15Å; C319-L323 PolarHBondContact O-N 3.25Å; E321-L323 VanDerWaalsContact C-N 3.35Å; E321-L323 PolarHBondContact O-N 3.36Å; L323-W325 VanDerWaalsContact C-N 3.34Å; L323-W325 PolarHBondContact O-N 2.79Å; L323-S326 PolarHBondContact O-N 2.9Å; L323-V327 HydrophobicContact CD1-CG2 4.04Å; L323-V327 WeakPolarHBondContact O-CG2 3.3Å; L323-V327 PolarHBondContact O-N 2.82Å
324S98.6Very high97.9Very high7 Ų710.2 Ų10.25%0.0495%0.049CC..Hα-helixtrans-63.3-41.8-175.7-60.30000111.7T47 H50 L320 E321 S328T47-S324 WeakPolarHBondContact CA-OG 3.42Å; T47-S324 PolarHBondContact N-OG 2.89Å; T47-S324 PolarHBondContact OG1-OG 2.96Å; T47-S324 VanDerWaalsContact OG1-OG 3.12Å; H50-S324 PolarHBondContact CD2-O 3.11Å; H50-S324 VanDerWaalsContact CD2-O 3.29Å; L320-S324 VanDerWaalsContact O-CB 3.27Å; L320-S324 WeakPolarHBondContact O-CB 3.3Å; L320-S324 PolarHBondContact O-N 3.42Å; L320-S324 PolarHBondContact O-OG 3.43Å; E321-S324 PolarHBondContact O-N 2.64Å; S324-S328 WeakPolarHBondContact O-CB 3.11Å; S324-S328 PolarHBondContact O-N 2.82Å
325W98.4Very high97.7Very high12 Ų1210.7 Ų10.75%0.0455%0.052CC..Hα-helixtrans-67.7-38.7173.9-83.6109.7000113.1H50 L54 P292 E321 L323 S328 C329 F340 L427 E428H50-W325 AromaticContact CE1-CD2 3.87Å; H50-W325 AromaticContact CE1-CE2 3.57Å; H50-W325 AromaticContact CE1-CZ2 3.77Å; H50-W325 AromaticContact CE1-NE1 3.87Å; H50-W325 AromaticContact NE2-CD2 3.71Å; H50-W325 AromaticContact NE2-CE2 3.91Å; H50-W325 AromaticContact NE2-CE3 3.9Å; L54-W325 HydrophobicContact CD1-CZ3 4.27Å; P292-W325 HydrophobicContact CB-CB 3.64Å; P292-W325 HydrophobicContact CG-CB 3.88Å; E321-W325 PolarHBondContact O-N 3.21Å; E321-W325 VanDerWaalsContact O-N 3.09Å; L323-W325 VanDerWaalsContact C-N 3.34Å; L323-W325 PolarHBondContact O-N 2.79Å; W325-S328 PolarHBondContact O-N 3.39Å; W325-S328 PolarHBondContact O-OG 2.74Å; W325-C329 PolarHBondContact O-N 3.18Å; W325-C329 PolarHBondContact O-SG 3.05Å; W325-F340 HydrophobicContact CZ3-CZ 4.28Å; W325-L427 HydrophobicContact CB-CD1 4.02Å; W325-L427 HydrophobicContact CD2-CB 4Å; W325-L427 HydrophobicContact CD2-CD1 3.78Å; W325-L427 HydrophobicContact CD2-CG 4.45Å; W325-L427 HydrophobicContact CE3-CB 3.79Å; W325-L427 HydrophobicContact CE3-CD1 3.85Å; W325-L427 HydrophobicContact CE3-CD2 4.25Å; W325-L427 HydrophobicContact CE3-CG 4.19Å; W325-L427 HydrophobicContact CG-CD1 3.87Å; W325-L427 HydrophobicContact CH2-CB 3.84Å; W325-L427 HydrophobicContact CZ2-CB 4.05Å; W325-L427 HydrophobicContact CZ3-CB 3.71Å; W325-L427 HydrophobicContact CZ3-CD2 4.43Å; W325-L427 HydrophobicContact CZ3-CG 4.48Å; W325-E428 HydrophobicContact CH2-CG 4.34Å; W325-E428 HydrophobicContact CZ2-CG 3.59Å
326S98.8Very high97.4Very high0 Ų017.5 Ų17.50%08%0.078CC..Hα-helixtrans-67.1-43.2-178.7-59.10000110.8P292 F295 S322 L323 S328 C329 V330P292-S326 WeakPolarHBondContact CA-OG 3.46Å; F295-S326 WeakPolarHBondContact CD2-OG 3.01Å; S322-S326 VanDerWaalsContact O-CB 3.26Å; S322-S326 WeakPolarHBondContact O-CB 3Å; S322-S326 PolarHBondContact O-N 3.24Å; S322-S326 PolarHBondContact O-OG 3.42Å; L323-S326 PolarHBondContact O-N 2.9Å; S326-S328 VanDerWaalsContact C-N 3.33Å; S326-S328 PolarHBondContact O-N 3.49Å; S326-C329 WeakPolarHBondContact O-CB 3.49Å; S326-C329 PolarHBondContact O-N 3.39Å; S326-V330 WeakPolarHBondContact O-CG2 3.37Å; S326-V330 PolarHBondContact O-N 3.09Å
327V98.9Very high97.1Very high0 Ų018.8 Ų18.80%08%0.084CC..Hα-helixtrans-62.5-39.9173.3169.70000111.4T47 I139 L141 F277 L323 C329 V330 I331T47-V327 HydrophobicContact CG2-CB 3.68Å; T47-V327 HydrophobicContact CG2-CG1 3.62Å; T47-V327 HydrophobicContact CG2-CG2 3.79Å; I139-V327 HydrophobicContact CD1-CG1 4.11Å; L141-V327 HydrophobicContact CD2-CG1 3.53Å; F277-V327 HydrophobicContact CD2-CG2 4.04Å; F277-V327 HydrophobicContact CE1-CG2 4.49Å; F277-V327 HydrophobicContact CE2-CG2 3.45Å; F277-V327 VanDerWaalsContact CE2-CG2 3.45Å; F277-V327 HydrophobicContact CZ-CG2 3.69Å; L323-V327 HydrophobicContact CD1-CG2 4.04Å; L323-V327 WeakPolarHBondContact O-CG2 3.3Å; L323-V327 PolarHBondContact O-N 2.82Å; V327-C329 VanDerWaalsContact C-N 3.29Å; V327-C329 PolarHBondContact O-N 3.39Å; V327-V330 PolarHBondContact O-N 3.41Å; V327-I331 HydrophobicContact CG1-CD1 3.83Å; V327-I331 HydrophobicContact CG1-CG1 4.43Å; V327-I331 WeakPolarHBondContact O-CG1 3.48Å; V327-I331 PolarHBondContact O-N 3.1Å
328S98.5Very high96.8Very high0 Ų021.7 Ų21.70%010%0.104CC..Hα-helixtrans-63.2-37176.786.80000111.8S324 W325 S326 I331 R332S324-S328 WeakPolarHBondContact O-CB 3.11Å; S324-S328 PolarHBondContact O-N 2.82Å; W325-S328 PolarHBondContact O-N 3.39Å; W325-S328 PolarHBondContact O-OG 2.74Å; S326-S328 VanDerWaalsContact C-N 3.33Å; S326-S328 PolarHBondContact O-N 3.49Å; S328-I331 PolarHBondContact O-N 3.33Å; S328-R332 WeakPolarHBondContact O-CB 3.24Å; S328-R332 VanDerWaalsContact O-CG 3.27Å; S328-R332 WeakPolarHBondContact O-CG 3.26Å; S328-R332 PolarHBondContact O-N 3.32Å
329C98.6Very high96.6Very high2 Ų222.5 Ų22.51%0.01411%0.109CC..Hα-helixtrans-66.7-40.3174.5-65.70000112.8P292 G296 W325 S326 V327 R332 A333 F340P292-C329 VanDerWaalsContact O-CB 3.22Å; P292-C329 WeakPolarHBondContact O-CB 3.4Å; P292-C329 PolarHBondContact O-SG 3.32Å; P292-C329 VanDerWaalsContact O-SG 3.41Å; G296-C329 WeakPolarHBondContact CA-O 3.33Å; W325-C329 PolarHBondContact O-N 3.18Å; W325-C329 PolarHBondContact O-SG 3.05Å; S326-C329 WeakPolarHBondContact O-CB 3.49Å; S326-C329 PolarHBondContact O-N 3.39Å; V327-C329 VanDerWaalsContact C-N 3.29Å; V327-C329 PolarHBondContact O-N 3.39Å; C329-R332 PolarHBondContact O-N 2.78Å; C329-A333 PolarHBondContact O-N 3.18Å; C329-F340 VanDerWaalsContact SG-CD2 3.59Å
330V98.8Very high96.5Very high0 Ų022.6 Ų22.60%011%0.109CC..Hα-helixtrans-61-45.8171.8172.30000111I139 W184 F277 F295 T299 V312 S326 V327 R332 A333 L334I139-V330 HydrophobicContact CD1-CG1 3.93Å; W184-V330 HydrophobicContact CZ2-CG2 4.47Å; F277-V330 HydrophobicContact CE1-CG2 3.92Å; F277-V330 HydrophobicContact CZ-CG2 3.95Å; F295-V330 HydrophobicContact CB-CG2 3.85Å; T299-V330 HydrophobicContact CG2-CG1 4.19Å; V312-V330 HydrophobicContact CB-CG1 4.46Å; V312-V330 HydrophobicContact CG1-CG1 4.11Å; V312-V330 HydrophobicContact CG2-CG1 4.22Å; S326-V330 WeakPolarHBondContact O-CG2 3.37Å; S326-V330 PolarHBondContact O-N 3.09Å; V327-V330 PolarHBondContact O-N 3.41Å; V330-R332 VanDerWaalsContact C-N 3.33Å; V330-R332 PolarHBondContact O-N 3.25Å; V330-A333 WeakPolarHBondContact O-CB 3.16Å; V330-A333 PolarHBondContact O-N 3.04Å; V330-L334 HydrophobicContact CG1-CD1 4.4Å; V330-L334 PolarHBondContact O-N 2.78Å
331I98.5Very high96.2Very high0 Ų026.2 Ų26.20%013%0.127CC..Hα-helixtrans-63.3-41178.7-70.5166.4000111C51 L56 L57 M60 I139 V327 S328 A333 L334 L335C51-I331 HydrophobicContact CB-CD1 4.09Å; L56-I331 HydrophobicContact CB-CG2 3.72Å; L56-I331 HydrophobicContact CD1-CB 4.35Å; L56-I331 HydrophobicContact CD1-CG2 4.17Å; L56-I331 HydrophobicContact CG-CG2 4.37Å; L57-I331 HydrophobicContact CD2-CD1 3.83Å; M60-I331 HydrophobicContact CE-CG2 4.3Å; M60-I331 HydrophobicContact CG-CG2 4.43Å; M60-I331 HydrophobicContact SD-CB 4.41Å; M60-I331 HydrophobicContact SD-CG1 4.19Å; M60-I331 HydrophobicContact SD-CG2 3.46Å; M60-I331 WeakPolarHBondContact SD-CG2 3.36Å; I139-I331 HydrophobicContact CD1-CG1 4.19Å; I139-I331 HydrophobicContact CG2-CG1 4.14Å; V327-I331 HydrophobicContact CG1-CD1 3.83Å; V327-I331 HydrophobicContact CG1-CG1 4.43Å; V327-I331 WeakPolarHBondContact O-CG1 3.48Å; V327-I331 PolarHBondContact O-N 3.1Å; S328-I331 PolarHBondContact O-N 3.33Å; I331-A333 VanDerWaalsContact C-N 3.32Å; I331-A333 PolarHBondContact O-N 2.88Å; I331-L334 PolarHBondContact O-N 3.05Å; I331-L335 HydrophobicContact CG2-CD1 3.7Å; I331-L335 HydrophobicContact CG2-CG 4.2Å; I331-L335 WeakPolarHBondContact O-CB 3.43Å; I331-L335 WeakPolarHBondContact O-CG 3.4Å; I331-L335 PolarHBondContact O-N 3.05Å
332R96.9Very high96Very high15 Ų1523.2 Ų23.26%0.05711%0.113CC..Hα-helixtrans-58.6-43.3174.3-76.5175.7-179.8-677.6112L56 S328 C329 V330 L335 R336 D337L56-R332 HydrophobicContact CD1-CG 4.33Å; L56-R332 HydrophobicContact CD2-CG 3.91Å; S328-R332 WeakPolarHBondContact O-CB 3.24Å; S328-R332 VanDerWaalsContact O-CG 3.27Å; S328-R332 WeakPolarHBondContact O-CG 3.26Å; S328-R332 PolarHBondContact O-N 3.32Å; C329-R332 PolarHBondContact O-N 2.78Å; V330-R332 VanDerWaalsContact C-N 3.33Å; V330-R332 PolarHBondContact O-N 3.25Å; R332-L335 CarbonylContact O-C 3.52Å; R332-L335 PolarHBondContact O-N 3.38Å; R332-R336 PolarHBondContact O-N 3Å; R332-D337 HydrophobicContact CB-CB 4.05Å; R332-D337 HydrophobicContact CG-CB 4.31Å; R332-D337 IonicContact NH1-OD2 3.36Å; R332-D337 PolarHBondContact O-N 3.22Å
333A96.8Very high95.5Very high1 Ų128.2 Ų28.21%0.00814%0.14CC..Hα-helixtrans-59.6-49.3174.100000111.7G296 T299 N300 M303 C329 V330 I331 L335 R336 L339G296-A333 VanDerWaalsContact O-CB 3.27Å; G296-A333 WeakPolarHBondContact O-CB 3.46Å; T299-A333 HydrophobicContact CG2-CB 3.82Å; N300-A333 HydrophobicContact CB-CB 4.34Å; M303-A333 WeakPolarHBondContact CE-O 3.49Å; M303-A333 HydrophobicContact SD-CB 4.42Å; C329-A333 PolarHBondContact O-N 3.18Å; V330-A333 WeakPolarHBondContact O-CB 3.16Å; V330-A333 PolarHBondContact O-N 3.04Å; I331-A333 VanDerWaalsContact C-N 3.32Å; I331-A333 PolarHBondContact O-N 2.88Å; A333-L335 VanDerWaalsContact C-N 3.3Å; A333-L335 PolarHBondContact O-N 3.14Å; A333-R336 WeakPolarHBondContact O-CA 3.39Å; A333-R336 PolarHBondContact O-N 3.24Å; A333-L339 HydrophobicContact CB-CD2 3.85Å
334L97Very high94.6Very high3 Ų333.8 Ų33.82%0.01617%0.17CC..Hα-helixtrans-57.5-42.3176.2-69.8173.8000112.1P18 M60 I139 T299 L310 V330 I331 R336P18-L334 HydrophobicContact CB-CB 4.07Å; P18-L334 HydrophobicContact CG-CB 4.12Å; P18-L334 WeakPolarHBondContact CG-O 3.11Å; M60-L334 HydrophobicContact CE-CD1 4.17Å; I139-L334 HydrophobicContact CB-CD1 3.99Å; I139-L334 HydrophobicContact CG2-CD1 4.33Å; T299-L334 HydrophobicContact CG2-CD2 4.31Å; T299-L334 HydrophobicContact CG2-CG 4.34Å; L310-L334 HydrophobicContact CD2-CD2 4.05Å; V330-L334 HydrophobicContact CG1-CD1 4.4Å; V330-L334 PolarHBondContact O-N 2.78Å; I331-L334 PolarHBondContact O-N 3.05Å; L334-R336 PolarHBondContact O-N 3.02Å
335L95.3Very high93.3Very high14 Ų1436.7 Ų36.77%0.07319%0.187CC..Hα-helixtrans-69.6-9.1176.1-72.6171.1000113.7P18 L56 R59 M60 I331 R332 A333 D337P18-L335 HydrophobicContact CG-CD2 4.35Å; L56-L335 HydrophobicContact CB-CD1 4.37Å; L56-L335 HydrophobicContact CD2-CD1 3.96Å; R59-L335 HydrophobicContact CB-CD1 4.32Å; R59-L335 HydrophobicContact CB-CD2 3.92Å; M60-L335 HydrophobicContact CG-CD1 4.45Å; M60-L335 HydrophobicContact CG-CD2 3.81Å; M60-L335 HydrophobicContact CG-CG 4.25Å; I331-L335 HydrophobicContact CG2-CD1 3.7Å; I331-L335 HydrophobicContact CG2-CG 4.2Å; I331-L335 WeakPolarHBondContact O-CB 3.43Å; I331-L335 WeakPolarHBondContact O-CG 3.4Å; I331-L335 PolarHBondContact O-N 3.05Å; R332-L335 CarbonylContact O-C 3.52Å; R332-L335 PolarHBondContact O-N 3.38Å; A333-L335 VanDerWaalsContact C-N 3.3Å; A333-L335 PolarHBondContact O-N 3.14Å; L335-D337 PolarHBondContact O-N 2.9Å
336R92.7Very high92.3Very high144 Ų14442.8 Ų42.854%0.54322%0.221SC..THydrogen-bonded Turntrans57.935.1-172.3-53.4175.7179.4-98.80.3112.1M303 R332 A333 L334M303-R336 HydrophobicContact CE-CG 3.9Å; R332-R336 PolarHBondContact O-N 3Å; A333-R336 WeakPolarHBondContact O-CA 3.39Å; A333-R336 PolarHBondContact O-N 3.24Å; L334-R336 PolarHBondContact O-N 3.02Å
337D91.1Very high91.8Very high26 Ų2646.2 Ų46.214%0.13924%0.241CC..PPolyproline II helixtrans-71.5155.1166.6-73.8-6.1000109.3R59 R332 L335 L339R59-D337 IonicContact CZ-OD1 4Å; R59-D337 IonicContact CZ-OD2 3.3Å; R59-D337 IonicContact NH1-OD1 3.64Å; R59-D337 PolarHBondContact NH1-OD1 3.17Å; R59-D337 IonicContact NH1-OD2 2.99Å; R59-D337 PolarHBondContact NH1-OD2 3.36Å; R59-D337 IonicContact NH2-OD1 2.81Å; R59-D337 PolarHBondContact NH2-OD1 3.46Å; R59-D337 IonicContact NH2-OD2 3.95Å; R332-D337 HydrophobicContact CB-CB 4.05Å; R332-D337 HydrophobicContact CG-CB 4.31Å; R332-D337 IonicContact NH1-OD2 3.36Å; R332-D337 PolarHBondContact O-N 3.22Å; L335-D337 PolarHBondContact O-N 2.9Å; D337-L339 PolarHBondContact O-N 3.01Å
338P89.7Confident91.4Very high62 Ų6250.4 Ų50.440%0.40328%0.276SS..PPolyproline II helixtrans-56.1135.1166.4-30.343.3000110.2W434 M439P338-W434 WeakPolarHBondContact O-CH2 3.44Å; P338-W434 WeakPolarHBondContact O-CZ3 3.41Å; P338-M439 HydrophobicContact CB-CE 3.6Å; P338-M439 HydrophobicContact CB-SD 4.05Å; P338-M439 HydrophobicContact CG-CE 3.27Å; P338-M439 HydrophobicContact CG-SD 3.69Å
339L92.7Very high91.2Very high36 Ų3652.3 Ų52.319%0.18829%0.286CS..PPolyproline II helixtrans-84.3150-179.7-56.9-179000109.6N300 A333 D337N300-L339 HydrophobicContact CB-CD1 3.73Å; A333-L339 HydrophobicContact CB-CD2 3.85Å; D337-L339 PolarHBondContact O-N 3.01Å
340F94.7Very high90.9Very high7 Ų753.6 Ų53.63%0.03129%0.294CS..PPolyproline II helixtrans-59.9145.1169.4-64.2-74000110.3Q293 H297 W325 C329 L427 T430 T431 W434Q293-F340 HydrophobicContact CB-CB 4.03Å; Q293-F340 HydrophobicContact CG-CB 3.35Å; Q293-F340 HydrophobicContact CG-CD2 4.46Å; Q293-F340 HydrophobicContact CG-CG 4.14Å; H297-F340 PolarHBondContact NE2-O 3.21Å; W325-F340 HydrophobicContact CZ3-CZ 4.28Å; C329-F340 VanDerWaalsContact SG-CD2 3.59Å; F340-L427 HydrophobicContact CB-CD2 4.24Å; F340-L427 HydrophobicContact CD1-CD2 3.78Å; F340-L427 HydrophobicContact CD2-CD2 3.55Å; F340-L427 HydrophobicContact CE1-CD2 3.96Å; F340-L427 HydrophobicContact CE2-CD2 3.71Å; F340-L427 HydrophobicContact CG-CD2 3.59Å; F340-L427 HydrophobicContact CZ-CD2 3.93Å; F340-T430 HydrophobicContact CD1-CG2 3.75Å; F340-T430 HydrophobicContact CE1-CG2 3.76Å; F340-T431 VanDerWaalsContact CZ-OG1 3.31Å; F340-T431 WeakPolarHBondContact CZ-OG1 3.33Å; F340-W434 AromaticContact CD1-CH2 3.76Å; F340-W434 HydrophobicContact CD1-CH2 3.76Å; F340-W434 HydrophobicContact CD1-CZ2 4.13Å; F340-W434 HydrophobicContact CD1-CZ3 4.35Å; F340-W434 HydrophobicContact CD2-CH2 4.4Å; F340-W434 HydrophobicContact CE1-CE3 4.39Å; F340-W434 AromaticContact CE1-CH2 3.7Å; F340-W434 HydrophobicContact CE1-CH2 3.7Å; F340-W434 HydrophobicContact CE1-CZ2 4.18Å; F340-W434 AromaticContact CE1-CZ3 3.83Å; F340-W434 HydrophobicContact CE1-CZ3 3.83Å; F340-W434 HydrophobicContact CE2-CH2 4.37Å; F340-W434 HydrophobicContact CE2-CZ3 4.23Å; F340-W434 HydrophobicContact CG-CH2 4.11Å; F340-W434 HydrophobicContact CZ-CE3 4.41Å; F340-W434 HydrophobicContact CZ-CH2 4.01Å; F340-W434 AromaticContact CZ-CZ3 3.76Å; F340-W434 HydrophobicContact CZ-CZ3 3.76Å
341I91.9Very high90.6Very high142 Ų14258.4 Ų58.473%0.72833%0.325SS*.PPolyproline II helixtrans-70.6138179.1-61.3173.2000108.4
342L92.7Very high90.2Very high14 Ų1459.7 Ų59.77%0.07333%0.334CS..PPolyproline II helixtrans-86.7138.5170.5-61.3178.6000109.3I252 Q293 V294 H297 V345I252-L342 HydrophobicContact CD1-CD1 4.12Å; I252-L342 HydrophobicContact CG1-CD1 4.15Å; Q293-L342 HydrophobicContact CB-CD2 3.53Å; V294-L342 HydrophobicContact CB-CD2 4.06Å; V294-L342 HydrophobicContact CG2-CD1 4.2Å; V294-L342 HydrophobicContact CG2-CD2 4.39Å; H297-L342 HydrophobicContact CB-CD1 4.22Å; L342-V345 HydrophobicContact CB-CG1 3.49Å; L342-V345 VanDerWaalsContact CB-CG1 3.49Å; L342-V345 HydrophobicContact CD1-CG1 4.05Å; L342-V345 HydrophobicContact CG-CG1 4.37Å
343N85.5Confident90.2Very high107 Ų10759.1 Ų59.157%0.57233%0.332SS*.THydrogen-bonded Turntrans-75.6156.2168.3-63.6-35.2000109.8V345N343-V345 PolarHBondContact O-N 3.02Å
344D80Confident90Very high117 Ų11762.2 Ų62.263%0.62635%0.35SS*.THydrogen-bonded Turntrans53.233.8170.9-55.8-50.3000115.7V347D344-V347 HydrophobicContact CB-CG1 4.39Å; D344-V347 HydrophobicContact CB-CG2 4.34Å; D344-V347 VanDerWaalsContact O-CG2 3.29Å; D344-V347 WeakPolarHBondContact O-CG2 3.38Å
345V72Confident89.9Confident69 Ų6964.7 Ų64.742%0.41836%0.362SS..THydrogen-bonded Turntrans-72.6141.1170.1-69.80000111.1L342 N343L342-V345 HydrophobicContact CB-CG1 3.49Å; L342-V345 VanDerWaalsContact CB-CG1 3.49Å; L342-V345 HydrophobicContact CD1-CG1 4.05Å; L342-V345 HydrophobicContact CG-CG1 4.37Å; N343-V345 PolarHBondContact O-N 3.02Å
346N77.3Confident89.9Confident139 Ų13964.2 Ų64.274%0.74336%0.359SS*.THydrogen-bonded Turntrans71.225-178.7-44.4-54.3000115.6
347V87.9Confident90.1Very high72 Ų7257.7 Ų57.744%0.43634%0.335SS..SBendtrans-93.6168.7165.1-51.60000110.6K249 D344K249-V347 HydrophobicContact CB-CG2 4.44Å; K249-V347 HydrophobicContact CD-CG2 3.41Å; K249-V347 VanDerWaalsContact CD-CG2 3.41Å; K249-V347 HydrophobicContact CG-CG2 4.41Å; D344-V347 HydrophobicContact CB-CG1 4.39Å; D344-V347 HydrophobicContact CB-CG2 4.34Å; D344-V347 VanDerWaalsContact O-CG2 3.29Å; D344-V347 WeakPolarHBondContact O-CG2 3.38Å
348A90.8Very high90.3Very high88 Ų8857.3 Ų57.373%0.72733%0.333SS*.PPolyproline II helixtrans-64.2135176.600000111.1K249K249-A348 WeakPolarHBondContact CD-O 3.44Å; K249-A348 WeakPolarHBondContact CE-O 3.29Å
349I93.6Very high90.6Very high40 Ų4054.6 Ų54.621%0.20531%0.314CS..PPolyproline II helixtrans-75165.4173.861171.8000112.1K249 D250 A253 L353 V354 I357K249-I349 HydrophobicContact CB-CG2 4.41Å; K249-I349 WeakPolarHBondContact O-CG2 3.15Å; D250-I349 WeakPolarHBondContact OD1-CA 3.48Å; D250-I349 VanDerWaalsContact OD1-CB 3.31Å; D250-I349 WeakPolarHBondContact OD1-CB 3.46Å; A253-I349 HydrophobicContact CB-CD1 3.9Å; A253-I349 HydrophobicContact CB-CG2 3.58Å; I349-L353 HydrophobicContact CB-CD2 4.44Å; I349-L353 HydrophobicContact CD1-CD2 3.99Å; I349-L353 HydrophobicContact CD1-CG 4.12Å; I349-V354 HydrophobicContact CD1-CG2 3.85Å; I349-V354 HydrophobicContact CG1-CG2 3.75Å; I349-I357 HydrophobicContact CD1-CD1 3.95Å
350T93.5Very high90.9Very high29 Ų2953 Ų5318%0.17831%0.306CS..PPolyproline II helixtrans-61.6130-179.1-55.30000110.3K249 D250 C352 L353 V354K249-T350 PolarHBondContact NZ-OG1 2.81Å; D250-T350 PolarHBondContact OD1-N 2.82Å; D250-T350 PolarHBondContact OD1-OG1 3.03Å; D250-T350 PolarHBondContact OD2-OG1 2.93Å; T350-C352 VanDerWaalsContact C-N 3.33Å; T350-C352 VanDerWaalsContact CG2-SG 3.6Å; T350-C352 PolarHBondContact O-N 3.09Å; T350-L353 VanDerWaalsContact O-CB 3.31Å; T350-L353 WeakPolarHBondContact O-CB 3.47Å; T350-L353 PolarHBondContact O-N 3.25Å; T350-V354 PolarHBondContact O-N 3.17Å
351P91.6Very high91Very high102 Ų10252.6 Ų52.666%0.66231%0.305SS*.Hα-helixtrans-55.1-39.7-173.6-30.536.2000115.2L353 V354 E355P351-L353 PolarHBondContact O-N 3.45Å; P351-V354 WeakPolarHBondContact O-CB 3.4Å; P351-V354 PolarHBondContact O-N 3.4Å; P351-E355 PolarHBondContact O-N 3.44Å
352C91.4Very high91.2Very high27 Ų2749.2 Ų49.218%0.18229%0.288CS..Hα-helixtrans-60.8-30.6177.268.70000112.3D243 T350 E355 I356D243-C352 VanDerWaalsContact CB-SG 3.51Å; T350-C352 VanDerWaalsContact C-N 3.33Å; T350-C352 VanDerWaalsContact CG2-SG 3.6Å; T350-C352 PolarHBondContact O-N 3.09Å; C352-E355 PolarHBondContact O-N 3.32Å; C352-I356 WeakPolarHBondContact O-CG1 3.33Å; C352-I356 PolarHBondContact O-N 2.92Å
353L95.4Very high91.5Very high2 Ų249.7 Ų49.71%0.0129%0.294CS..Hα-helixtrans-71.1-34.8176.6177.261.2000111.4L241 D250 I254 I349 T350 P351 E355 I356 I357L241-L353 HydrophobicContact CD2-CD1 3.96Å; D250-L353 VanDerWaalsContact CA-CD2 3.47Å; D250-L353 HydrophobicContact CB-CD2 3.52Å; D250-L353 VanDerWaalsContact O-CD2 3.25Å; D250-L353 WeakPolarHBondContact O-CD2 3.36Å; I254-L353 HydrophobicContact CD1-CD1 3.74Å; I254-L353 HydrophobicContact CD1-CD2 4.28Å; I254-L353 HydrophobicContact CG1-CD1 3.67Å; I254-L353 HydrophobicContact CG1-CD2 4.07Å; I254-L353 HydrophobicContact CG1-CG 4.43Å; I349-L353 HydrophobicContact CB-CD2 4.44Å; I349-L353 HydrophobicContact CD1-CD2 3.99Å; I349-L353 HydrophobicContact CD1-CG 4.12Å; T350-L353 VanDerWaalsContact O-CB 3.31Å; T350-L353 WeakPolarHBondContact O-CB 3.47Å; T350-L353 PolarHBondContact O-N 3.25Å; P351-L353 PolarHBondContact O-N 3.45Å; L353-E355 VanDerWaalsContact C-N 3.27Å; L353-E355 PolarHBondContact O-N 3.19Å; L353-I356 PolarHBondContact O-N 2.91Å; L353-I357 HydrophobicContact CD1-CD1 4.13Å; L353-I357 HydrophobicContact CD1-CG1 3.99Å; L353-I357 HydrophobicContact CD2-CD1 4.27Å; L353-I357 HydrophobicContact CG-CD1 3.85Å; L353-I357 HydrophobicContact CG-CG1 4.18Å; L353-I357 WeakPolarHBondContact O-CB 3.4Å; L353-I357 WeakPolarHBondContact O-CG1 3.23Å; L353-I357 PolarHBondContact O-N 3.24Å
354V93.6Very high92.1Very high66 Ų6644.7 Ų44.740%0.427%0.267SS..Hα-helixtrans-58.2-43.9175.4-178.20000110.2I349 T350 P351 I357 H358I349-V354 HydrophobicContact CD1-CG2 3.85Å; I349-V354 HydrophobicContact CG1-CG2 3.75Å; T350-V354 PolarHBondContact O-N 3.17Å; P351-V354 WeakPolarHBondContact O-CB 3.4Å; P351-V354 PolarHBondContact O-N 3.4Å; V354-I357 PolarHBondContact O-N 3.34Å; V354-H358 WeakPolarHBondContact O-CB 3.21Å; V354-H358 PolarHBondContact O-N 2.66Å
355E93.7Very high92.9Very high56 Ų5642.3 Ų42.326%0.26225%0.252SS..Hα-helixtrans-61.7-47.3176.8-63.5-179.1163.600111.5P351 C352 L353 I357 H358 L359P351-E355 PolarHBondContact O-N 3.44Å; C352-E355 PolarHBondContact O-N 3.32Å; L353-E355 VanDerWaalsContact C-N 3.27Å; L353-E355 PolarHBondContact O-N 3.19Å; E355-I357 PolarHBondContact O-N 2.72Å; E355-H358 WeakPolarHBondContact O-CB 3.28Å; E355-H358 PolarHBondContact O-N 3.49Å; E355-L359 WeakPolarHBondContact O-CG 3.27Å; E355-L359 PolarHBondContact O-N 2.86Å
356I96.6Very high94.1Very high3 Ų346.8 Ų46.82%0.01527%0.266CS..Hα-helixtrans-64.5-40.3178.7-65-60.3000112.2I239 P240 C352 L353 H358 L359 T360 P395I239-I356 HydrophobicContact CG2-CG2 3.93Å; P240-I356 HydrophobicContact CG-CD1 4.31Å; P240-I356 WeakPolarHBondContact O-CG1 3.42Å; C352-I356 WeakPolarHBondContact O-CG1 3.33Å; C352-I356 PolarHBondContact O-N 2.92Å; L353-I356 PolarHBondContact O-N 2.91Å; I356-H358 VanDerWaalsContact C-N 3.3Å; I356-H358 PolarHBondContact O-N 3.25Å; I356-L359 HydrophobicContact CD1-CD1 4.36Å; I356-L359 PolarHBondContact O-N 3.15Å; I356-T360 VanDerWaalsContact O-CB 3.27Å; I356-T360 WeakPolarHBondContact O-CB 3.12Å; I356-T360 PolarHBondContact O-N 3.41Å; I356-T360 PolarHBondContact O-OG1 2.78Å; I356-P395 HydrophobicContact CD1-CG 4.46Å
357I96.4Very high95.1Very high8 Ų843.7 Ų43.74%0.04125%0.247CC..Hα-helixtrans-61.3-43.1174.8-71.6173000110.2A253 H257 I258 I349 L353 V354 E355 A361 F374A253-I357 HydrophobicContact CB-CD1 4.41Å; H257-I357 HydrophobicContact CB-CG2 4.21Å; I258-I357 HydrophobicContact CD1-CB 4.35Å; I258-I357 HydrophobicContact CD1-CG1 3.97Å; I258-I357 HydrophobicContact CD1-CG2 4.33Å; I258-I357 HydrophobicContact CG1-CG2 4.45Å; I349-I357 HydrophobicContact CD1-CD1 3.95Å; L353-I357 HydrophobicContact CD1-CD1 4.13Å; L353-I357 HydrophobicContact CD1-CG1 3.99Å; L353-I357 HydrophobicContact CD2-CD1 4.27Å; L353-I357 HydrophobicContact CG-CD1 3.85Å; L353-I357 HydrophobicContact CG-CG1 4.18Å; L353-I357 WeakPolarHBondContact O-CB 3.4Å; L353-I357 WeakPolarHBondContact O-CG1 3.23Å; L353-I357 PolarHBondContact O-N 3.24Å; V354-I357 PolarHBondContact O-N 3.34Å; E355-I357 PolarHBondContact O-N 2.72Å; I357-A361 WeakPolarHBondContact O-CB 3.44Å; I357-A361 PolarHBondContact O-N 2.52Å; I357-F374 HydrophobicContact CG2-CE1 3.84Å; I357-F374 HydrophobicContact CG2-CZ 3.76Å
358H95.2Very high95.6Very high18 Ų1840.9 Ų40.98%0.08323%0.228CC..Hα-helixtrans-64.8-48.4178.2-169.1-178.8000111.9V354 E355 I356 T360 A361 L362 L375 H390 A392V354-H358 WeakPolarHBondContact O-CB 3.21Å; V354-H358 PolarHBondContact O-N 2.66Å; E355-H358 WeakPolarHBondContact O-CB 3.28Å; E355-H358 PolarHBondContact O-N 3.49Å; I356-H358 VanDerWaalsContact C-N 3.3Å; I356-H358 PolarHBondContact O-N 3.25Å; H358-T360 VanDerWaalsContact C-N 3.34Å; H358-T360 PolarHBondContact O-N 3.39Å; H358-A361 PolarHBondContact O-N 2.81Å; H358-L362 WeakPolarHBondContact O-CG 3.21Å; H358-L362 PolarHBondContact O-N 2.94Å; H358-L375 VanDerWaalsContact CD2-CD2 3.48Å; H358-L375 WeakPolarHBondContact CD2-CD2 3.5Å; H358-H390 AromaticContact CE1-CD2 3.5Å; H358-H390 PolarHBondContact CE1-O 3.21Å; H358-H390 AromaticContact ND1-CD2 3.05Å; H358-H390 PolarHBondContact ND1-CD2 3.35Å; H358-H390 AromaticContact ND1-NE2 3.37Å; H358-H390 PolarHBondContact ND1-NE2 3.28Å; H358-A392 HydrophobicContact CB-CB 4.26Å
359L96.9Very high96Very high4 Ų444.3 Ų44.32%0.02123%0.227CC..Hα-helixtrans-60.1-43.6177-71.1174.9000112.1W224 E355 I356 A361 L362 A363 A392 V394W224-L359 HydrophobicContact CD2-CB 3.73Å; W224-L359 HydrophobicContact CD2-CD1 4.37Å; W224-L359 HydrophobicContact CD2-CG 4.5Å; W224-L359 HydrophobicContact CE3-CB 3.82Å; W224-L359 HydrophobicContact CG-CB 4.15Å; W224-L359 HydrophobicContact CH2-CD2 4.02Å; W224-L359 HydrophobicContact CZ2-CB 4.43Å; W224-L359 HydrophobicContact CZ2-CD1 4.32Å; W224-L359 HydrophobicContact CZ2-CD2 3.92Å; W224-L359 HydrophobicContact CZ2-CG 4.46Å; W224-L359 HydrophobicContact CZ3-CB 4.21Å; W224-L359 HydrophobicContact CZ3-CD2 4.45Å; W224-L359 WeakPolarHBondContact CZ3-O 3.27Å; E355-L359 WeakPolarHBondContact O-CG 3.27Å; E355-L359 PolarHBondContact O-N 2.86Å; I356-L359 HydrophobicContact CD1-CD1 4.36Å; I356-L359 PolarHBondContact O-N 3.15Å; L359-A361 VanDerWaalsContact C-N 3.34Å; L359-A361 PolarHBondContact O-N 3.32Å; L359-L362 PolarHBondContact O-N 3.08Å; L359-A363 PolarHBondContact O-N 2.78Å; L359-A392 HydrophobicContact CD2-CB 3.65Å; L359-A392 HydrophobicContact CG-CB 3.9Å; L359-V394 HydrophobicContact CD2-CG2 3.85Å
360T98Very high96.2Very high2 Ų243.8 Ų43.81%0.01223%0.226CC..Hα-helixtrans-61.2-44.6176.5-55.70000110.7I237 I258 I356 H358 L362 A363 L364I237-T360 HydrophobicContact CG2-CG2 3.9Å; I258-T360 HydrophobicContact CD1-CG2 3.91Å; I258-T360 HydrophobicContact CG2-CG2 4.34Å; I356-T360 VanDerWaalsContact O-CB 3.27Å; I356-T360 WeakPolarHBondContact O-CB 3.12Å; I356-T360 PolarHBondContact O-N 3.41Å; I356-T360 PolarHBondContact O-OG1 2.78Å; H358-T360 VanDerWaalsContact C-N 3.34Å; H358-T360 PolarHBondContact O-N 3.39Å; T360-L362 PolarHBondContact O-N 3.34Å; T360-A363 PolarHBondContact O-N 3.05Å; T360-L364 HydrophobicContact CG2-CD1 3.75Å; T360-L364 WeakPolarHBondContact O-CB 3.36Å; T360-L364 WeakPolarHBondContact O-CG 3.38Å; T360-L364 PolarHBondContact O-N 3.17Å
361A97.5Very high96.5Very high0 Ų042.4 Ų42.40%022%0.218CC..Hα-helixtrans-62.7-41.8176.300000112.3I357 H358 L359 L364 E365 M371 F374 L375I357-A361 WeakPolarHBondContact O-CB 3.44Å; I357-A361 PolarHBondContact O-N 2.52Å; H358-A361 PolarHBondContact O-N 2.81Å; L359-A361 VanDerWaalsContact C-N 3.34Å; L359-A361 PolarHBondContact O-N 3.32Å; A361-L364 CarbonylContact O-C 3.59Å; A361-L364 PolarHBondContact O-N 2.76Å; A361-L364 VanDerWaalsContact O-N 3.15Å; A361-E365 PolarHBondContact O-N 2.94Å; A361-M371 HydrophobicContact CB-SD 4.16Å; A361-F374 HydrophobicContact CB-CD1 3.77Å; A361-F374 HydrophobicContact CB-CE1 4.11Å; A361-L375 HydrophobicContact CB-CD1 4.34Å; A361-L375 HydrophobicContact CB-CD2 3.93Å; A361-L375 HydrophobicContact CB-CG 4.01Å
362L96.7Very high96.8Very high71 Ų7144.4 Ų44.437%0.37221%0.212SC..Hα-helixtrans-61.4-42.8176-74.2167.4000112.1H358 L359 T360 L364 L375H358-L362 WeakPolarHBondContact O-CG 3.21Å; H358-L362 PolarHBondContact O-N 2.94Å; L359-L362 PolarHBondContact O-N 3.08Å; T360-L362 PolarHBondContact O-N 3.34Å; L362-L364 PolarHBondContact O-N 3.23Å; L362-L375 HydrophobicContact CD2-CD1 4.02Å; L362-L375 HydrophobicContact CD2-CD2 4Å; L362-L375 HydrophobicContact CG-CD1 4.45Å; L362-L375 HydrophobicContact CG-CD2 4.04Å
363A97.7Very high97Very high24 Ų2445.7 Ų45.720%0.19822%0.224CC..Hα-helixtrans-63.6-24.8176.400000113.1W224 T227 L359 T360W224-A363 HydrophobicContact CE3-CB 3.79Å; W224-A363 HydrophobicContact CZ3-CB 3.86Å; T227-A363 HydrophobicContact CG2-CB 3.84Å; L359-A363 PolarHBondContact O-N 2.78Å; T360-A363 PolarHBondContact O-N 3.05Å
364L98.4Very high97Very high2 Ų247.7 Ų47.71%0.0123%0.233CC..Hα-helixtrans-108.9-8.3-169.3-69.3-179.9000114.5T227 I237 I262 T360 A361 L362 K366 H367 W368 M371T227-L364 HydrophobicContact CG2-CD2 3.89Å; I237-L364 HydrophobicContact CB-CD1 4.46Å; I237-L364 HydrophobicContact CD1-CD1 3.67Å; I237-L364 HydrophobicContact CD1-CD2 4.45Å; I237-L364 HydrophobicContact CG1-CD1 3.8Å; I237-L364 HydrophobicContact CG1-CD2 4.08Å; I237-L364 HydrophobicContact CG2-CD1 3.94Å; I262-L364 HydrophobicContact CD1-CD1 3.81Å; T360-L364 HydrophobicContact CG2-CD1 3.75Å; T360-L364 WeakPolarHBondContact O-CB 3.36Å; T360-L364 WeakPolarHBondContact O-CG 3.38Å; T360-L364 PolarHBondContact O-N 3.17Å; A361-L364 CarbonylContact O-C 3.59Å; A361-L364 PolarHBondContact O-N 2.76Å; A361-L364 VanDerWaalsContact O-N 3.15Å; L362-L364 PolarHBondContact O-N 3.23Å; L364-K366 PolarHBondContact O-N 3.39Å; L364-K366 VanDerWaalsContact O-N 3.08Å; L364-H367 PolarHBondContact O-N 2.96Å; L364-W368 PolarHBondContact O-N 3.44Å; L364-M371 HydrophobicContact CB-CB 4.23Å; L364-M371 HydrophobicContact CB-CG 3.81Å; L364-M371 HydrophobicContact CD1-CG 4.47Å
365E97.2Very high97.1Very high66 Ų6645.2 Ų45.231%0.30822%0.218SC..THydrogen-bonded Turntrans-58.5-27.4-173.673.9175.2-177.400114.7A361 H367 R372 L375A361-E365 PolarHBondContact O-N 2.94Å; E365-H367 VanDerWaalsContact C-N 3.35Å; E365-R372 PolarHBondContact O-NE 3.42Å; E365-R372 PolarHBondContact O-NH2 3.35Å; E365-L375 HydrophobicContact CB-CD1 3.65Å; E365-L375 HydrophobicContact CG-CD1 4.48Å; E365-L375 WeakPolarHBondContact OE2-CD1 3.31Å
366K97.6Very high97.2Very high164 Ų16448.5 Ų48.571%0.71323%0.233SC*.THydrogen-bonded Turntrans-78.6-24.9179.5-66-178.8-176.2171.10111.8L364L364-K366 PolarHBondContact O-N 3.39Å; L364-K366 VanDerWaalsContact O-N 3.08Å
367H98.2Very high97Very high74 Ų7452.2 Ų52.234%0.34326%0.255SS..THydrogen-bonded Turntrans-101.7-31.1-173.4-55.4-79000112.3E233 L364 E365E233-H367 PolarHBondContact O-ND1 2.81Å; L364-H367 PolarHBondContact O-N 2.96Å; E365-H367 VanDerWaalsContact C-N 3.35Å
368W98.5Very high96.7Very high13 Ų1354 Ų545%0.04926%0.264CS..  trans-126.5120.1-173-58.298.6000111.8L203 G234 F235 I262 E265 Y266 L364 C370 M371 R372L203-W368 HydrophobicContact CD1-CZ2 4.01Å; L203-W368 HydrophobicContact CD2-CH2 4.06Å; L203-W368 HydrophobicContact CD2-CZ2 4.19Å; G234-W368 PolarHBondContact O-NE1 3.05Å; F235-W368 HydrophobicContact CD1-CH2 4.41Å; F235-W368 HydrophobicContact CD1-CZ2 4.19Å; F235-W368 HydrophobicContact CE1-CH2 4.11Å; F235-W368 HydrophobicContact CE1-CZ2 4.2Å; I262-W368 HydrophobicContact CD1-CG 4.33Å; I262-W368 HydrophobicContact CG1-CB 4.43Å; I262-W368 HydrophobicContact CG1-CD2 4.34Å; I262-W368 HydrophobicContact CG1-CG 4.2Å; I262-W368 HydrophobicContact CG2-CD2 3.74Å; I262-W368 HydrophobicContact CG2-CE3 3.85Å; I262-W368 HydrophobicContact CG2-CG 4.4Å; I262-W368 HydrophobicContact CG2-CH2 3.95Å; I262-W368 HydrophobicContact CG2-CZ2 3.84Å; I262-W368 HydrophobicContact CG2-CZ3 3.96Å; E265-W368 HydrophobicContact CB-CE3 4.1Å; E265-W368 HydrophobicContact CB-CZ3 4.3Å; E265-W368 HydrophobicContact CG-CE3 3.93Å; E265-W368 HydrophobicContact CG-CZ3 4.23Å; Y266-W368 AromaticContact CD2-CH2 3.72Å; Y266-W368 HydrophobicContact CD2-CH2 3.72Å; Y266-W368 HydrophobicContact CD2-CZ3 4.35Å; Y266-W368 HydrophobicContact CG-CH2 4.03Å; L364-W368 PolarHBondContact O-N 3.44Å; W368-C370 VanDerWaalsContact C-N 3.26Å; W368-C370 PolarHBondContact O-N 3.03Å; W368-M371 HydrophobicContact CB-CB 4.16Å; W368-M371 HydrophobicContact CB-CG 3.84Å; W368-M371 PolarHBondContact O-N 3.45Å; W368-M371 VanDerWaalsContact O-N 3.17Å; W368-R372 PolarHBondContact O-N 3.2Å; W368-R372 VanDerWaalsContact O-N 3.17Å
369K98.5Very high96.5Very high159 Ų15956.3 Ų56.369%0.69128%0.283SS*.Hα-helixtrans-62.4-36.5179.3-63.8172.6-174.2171.50111.2E265 M371 R372 A373E265-K369 WeakPolarHBondContact OE1-CB 3.26Å; E265-K369 WeakPolarHBondContact OE1-CG 3.26Å; E265-K369 PolarHBondContact OE1-N 3.05Å; E265-K369 PolarHBondContact OE2-N 2.92Å; K369-M371 VanDerWaalsContact C-N 3.33Å; K369-M371 PolarHBondContact O-N 3.39Å; K369-R372 PolarHBondContact O-N 3.22Å; K369-A373 WeakPolarHBondContact O-CB 3.35Å; K369-A373 PolarHBondContact O-N 3.45Å
370C98.2Very high96.3Very high29 Ų2958.2 Ų58.220%0.19630%0.295CS..Hα-helixtrans-62.1-38.1176.258.70000112.6P261 E265 W368 A373 F374P261-C370 HydrophobicContact CB-CB 3.84Å; E265-C370 PolarHBondContact OE2-N 3.18Å; E265-C370 PolarHBondContact OE2-SG 3.31Å; W368-C370 VanDerWaalsContact C-N 3.26Å; W368-C370 PolarHBondContact O-N 3.03Å; C370-A373 PolarHBondContact O-N 3.36Å; C370-F374 WeakPolarHBondContact O-CB 3.44Å; C370-F374 PolarHBondContact O-N 3.28Å
371M98.3Very high95.9Very high1 Ų161.3 Ų61.31%0.00532%0.316CS..Hα-helixtrans-68.9-40.8176-64.2-58.196.900111.6H257 P261 I262 A361 L364 W368 K369 A373 F374 L375H257-M371 VanDerWaalsContact O-CE 3.3Å; H257-M371 WeakPolarHBondContact O-CE 3.13Å; P261-M371 HydrophobicContact CB-CE 4.22Å; I262-M371 HydrophobicContact CD1-CE 4.08Å; I262-M371 HydrophobicContact CD1-CG 3.9Å; I262-M371 HydrophobicContact CD1-SD 3.91Å; I262-M371 HydrophobicContact CG1-CE 3.82Å; I262-M371 HydrophobicContact CG1-CG 4.19Å; I262-M371 HydrophobicContact CG1-SD 4.29Å; A361-M371 HydrophobicContact CB-SD 4.16Å; L364-M371 HydrophobicContact CB-CB 4.23Å; L364-M371 HydrophobicContact CB-CG 3.81Å; L364-M371 HydrophobicContact CD1-CG 4.47Å; W368-M371 HydrophobicContact CB-CB 4.16Å; W368-M371 HydrophobicContact CB-CG 3.84Å; W368-M371 PolarHBondContact O-N 3.45Å; W368-M371 VanDerWaalsContact O-N 3.17Å; K369-M371 VanDerWaalsContact C-N 3.33Å; K369-M371 PolarHBondContact O-N 3.39Å; M371-A373 VanDerWaalsContact C-N 3.34Å; M371-A373 PolarHBondContact O-N 3.3Å; M371-F374 WeakPolarHBondContact O-CB 3.38Å; M371-F374 PolarHBondContact O-N 3.2Å; M371-L375 WeakPolarHBondContact O-CG 3.39Å; M371-L375 PolarHBondContact O-N 2.95Å
372R98.2Very high95.5Very high144 Ų14463.3 Ų63.354%0.54333%0.326SS..Hα-helixtrans-60.8-42.6172.5-169.1-176.6-53.4-175.54.3112.4E365 W368 K369 H376E365-R372 PolarHBondContact O-NE 3.42Å; E365-R372 PolarHBondContact O-NH2 3.35Å; W368-R372 PolarHBondContact O-N 3.2Å; W368-R372 VanDerWaalsContact O-N 3.17Å; K369-R372 PolarHBondContact O-N 3.22Å; R372-H376 WeakPolarHBondContact O-CB 3.46Å; R372-H376 PolarHBondContact O-N 2.89Å
373A97.3Very high95.3Very high53 Ų5365.5 Ų65.544%0.43834%0.342SS..Hα-helixtrans-67-38.3177.600000112.1K369 C370 M371 H376 T377K369-A373 WeakPolarHBondContact O-CB 3.35Å; K369-A373 PolarHBondContact O-N 3.45Å; C370-A373 PolarHBondContact O-N 3.36Å; M371-A373 VanDerWaalsContact C-N 3.34Å; M371-A373 PolarHBondContact O-N 3.3Å; A373-H376 PolarHBondContact O-N 2.96Å; A373-T377 WeakPolarHBondContact O-CB 3.47Å; A373-T377 PolarHBondContact O-N 2.7Å; A373-T377 PolarHBondContact O-OG1 3.03Å
374F95.3Very high95Very high45 Ų4572.5 Ų72.520%0.19737%0.368CS..Hα-helixtrans-60.3-51.2174.6176.2-105.9000111.4H257 I357 A361 C370 M371 H376 T377 I378H257-F374 HydrophobicContact CB-CE2 4.28Å; H257-F374 HydrophobicContact CB-CZ 4.45Å; H257-F374 AromaticContact ND1-CE2 3.66Å; I357-F374 HydrophobicContact CG2-CE1 3.84Å; I357-F374 HydrophobicContact CG2-CZ 3.76Å; A361-F374 HydrophobicContact CB-CD1 3.77Å; A361-F374 HydrophobicContact CB-CE1 4.11Å; C370-F374 WeakPolarHBondContact O-CB 3.44Å; C370-F374 PolarHBondContact O-N 3.28Å; M371-F374 WeakPolarHBondContact O-CB 3.38Å; M371-F374 PolarHBondContact O-N 3.2Å; F374-H376 PolarHBondContact O-N 3.33Å; F374-T377 WeakPolarHBondContact O-CB 3.39Å; F374-T377 PolarHBondContact O-N 3.46Å; F374-T377 VanDerWaalsContact O-N 3.13Å; F374-I378 HydrophobicContact CD1-CD1 3.93Å; F374-I378 HydrophobicContact CE1-CD1 3.41Å; F374-I378 VanDerWaalsContact CE1-CD1 3.41Å; F374-I378 HydrophobicContact CE2-CD1 4.19Å; F374-I378 HydrophobicContact CZ-CD1 3.56Å; F374-I378 HydrophobicContact CZ-CG1 4.43Å; F374-I378 PolarHBondContact O-N 3.43Å
375L95Very high94.7Very high13 Ų1377.1 Ų77.17%0.06840%0.397CS..Hα-helixtrans-59.8-45176.2-68.8167.6000112H358 A361 L362 E365 M371 T377 I378 S379H358-L375 VanDerWaalsContact CD2-CD2 3.48Å; H358-L375 WeakPolarHBondContact CD2-CD2 3.5Å; A361-L375 HydrophobicContact CB-CD1 4.34Å; A361-L375 HydrophobicContact CB-CD2 3.93Å; A361-L375 HydrophobicContact CB-CG 4.01Å; L362-L375 HydrophobicContact CD2-CD1 4.02Å; L362-L375 HydrophobicContact CD2-CD2 4Å; L362-L375 HydrophobicContact CG-CD1 4.45Å; L362-L375 HydrophobicContact CG-CD2 4.04Å; E365-L375 HydrophobicContact CB-CD1 3.65Å; E365-L375 HydrophobicContact CG-CD1 4.48Å; E365-L375 WeakPolarHBondContact OE2-CD1 3.31Å; M371-L375 WeakPolarHBondContact O-CG 3.39Å; M371-L375 PolarHBondContact O-N 2.95Å; L375-T377 VanDerWaalsContact C-N 3.26Å; L375-T377 PolarHBondContact O-N 3.12Å; L375-I378 PolarHBondContact O-N 3.29Å; L375-S379 PolarHBondContact O-N 3.06Å; L375-S379 PolarHBondContact O-OG 3.44Å
376H94.8Very high94.3Very high126 Ų12677.3 Ų77.358%0.58342%0.416SS*.Hα-helixtrans-59.4-38.1176.2-179.269.2000112.5R372 A373 F374 T380R372-H376 WeakPolarHBondContact O-CB 3.46Å; R372-H376 PolarHBondContact O-N 2.89Å; A373-H376 PolarHBondContact O-N 2.96Å; F374-H376 PolarHBondContact O-N 3.33Å; H376-T380 VanDerWaalsContact O-CB 3.3Å; H376-T380 WeakPolarHBondContact O-CB 3.27Å; H376-T380 PolarHBondContact O-N 3.46Å; H376-T380 PolarHBondContact O-OG1 3.39Å
377T93.5Very high93.9Very high80 Ų8072.1 Ų72.149%0.49140%0.401SS..Hα-helixtrans-65.5-45.5176.5-58.90000110.9A373 F374 L375 T380 C381A373-T377 WeakPolarHBondContact O-CB 3.47Å; A373-T377 PolarHBondContact O-N 2.7Å; A373-T377 PolarHBondContact O-OG1 3.03Å; F374-T377 WeakPolarHBondContact O-CB 3.39Å; F374-T377 PolarHBondContact O-N 3.46Å; F374-T377 VanDerWaalsContact O-N 3.13Å; L375-T377 VanDerWaalsContact C-N 3.26Å; L375-T377 PolarHBondContact O-N 3.12Å; T377-T380 PolarHBondContact O-N 3.26Å; T377-C381 WeakPolarHBondContact O-CB 3.44Å; T377-C381 PolarHBondContact O-N 3.1Å; T377-C381 PolarHBondContact O-SG 3.31Å
378I90.3Very high93.4Very high45 Ų4576.2 Ų76.223%0.23142%0.42CS..Hα-helixtrans-57.4-53.4175.3-68.3170.9000110.4F374 L375 T380 C381 L382F374-I378 HydrophobicContact CD1-CD1 3.93Å; F374-I378 HydrophobicContact CE1-CD1 3.41Å; F374-I378 VanDerWaalsContact CE1-CD1 3.41Å; F374-I378 HydrophobicContact CE2-CD1 4.19Å; F374-I378 HydrophobicContact CZ-CD1 3.56Å; F374-I378 HydrophobicContact CZ-CG1 4.43Å; F374-I378 PolarHBondContact O-N 3.43Å; L375-I378 PolarHBondContact O-N 3.29Å; I378-T380 VanDerWaalsContact C-N 3.3Å; I378-T380 PolarHBondContact O-N 2.66Å; I378-C381 PolarHBondContact O-N 2.87Å; I378-L382 HydrophobicContact CG2-CD1 3.95Å; I378-L382 HydrophobicContact CG2-CG 4.43Å; I378-L382 WeakPolarHBondContact O-CG 3.39Å; I378-L382 PolarHBondContact O-N 3.09Å
379S90.8Very high92.5Very high67 Ų6779.1 Ų79.147%0.46944%0.441SS..Hα-helixtrans-58.5-43-179.6-54.80000111.9L375 L382 V383L375-S379 PolarHBondContact O-N 3.06Å; L375-S379 PolarHBondContact O-OG 3.44Å; S379-L382 PolarHBondContact O-N 3.44Å; S379-V383 VanDerWaalsContact O-CG2 3.32Å; S379-V383 WeakPolarHBondContact O-CG2 3.48Å; S379-V383 PolarHBondContact O-N 3.1Å; S379-V383 VanDerWaalsContact O-N 3.08Å
380T91.7Very high91.7Very high45 Ų4575.3 Ų75.328%0.27643%0.425SS..Hα-helixtrans-66.8-38.6179.4-58.50000112H376 T377 I378 K384H376-T380 VanDerWaalsContact O-CB 3.3Å; H376-T380 WeakPolarHBondContact O-CB 3.27Å; H376-T380 PolarHBondContact O-N 3.46Å; H376-T380 PolarHBondContact O-OG1 3.39Å; T377-T380 PolarHBondContact O-N 3.26Å; I378-T380 VanDerWaalsContact C-N 3.3Å; I378-T380 PolarHBondContact O-N 2.66Å; T380-K384 HydrophobicContact CG2-CD 4.26Å; T380-K384 WeakPolarHBondContact O-CB 3.35Å; T380-K384 VanDerWaalsContact O-CG 3.32Å; T380-K384 WeakPolarHBondContact O-CG 3.5Å; T380-K384 PolarHBondContact O-N 3.31Å
381C90.8Very high90.9Very high67 Ų6782.7 Ų82.745%0.45345%0.45SS..Hα-helixtrans-64.2-47.1175.8-74.50000111.4T377 I378 V383 K384 T385T377-C381 WeakPolarHBondContact O-CB 3.44Å; T377-C381 PolarHBondContact O-N 3.1Å; T377-C381 PolarHBondContact O-SG 3.31Å; I378-C381 PolarHBondContact O-N 2.87Å; C381-V383 VanDerWaalsContact C-N 3.34Å; C381-V383 PolarHBondContact O-N 2.93Å; C381-K384 PolarHBondContact O-N 2.8Å; C381-K384 VanDerWaalsContact O-N 3.16Å; C381-T385 PolarHBondContact O-N 3.35Å; C381-T385 PolarHBondContact O-OG1 3.09Å; C381-T385 VanDerWaalsContact O-OG1 3.1Å
382L89.7Confident90.1Very high41 Ų4183.6 Ų83.622%0.21546%0.458CS..Hα-helixtrans-58.9-44.4178-69171.5000112I378 S379 K384 T385 G386 S387 H390I378-L382 HydrophobicContact CG2-CD1 3.95Å; I378-L382 HydrophobicContact CG2-CG 4.43Å; I378-L382 WeakPolarHBondContact O-CG 3.39Å; I378-L382 PolarHBondContact O-N 3.09Å; S379-L382 PolarHBondContact O-N 3.44Å; L382-K384 PolarHBondContact O-N 2.86Å; L382-T385 PolarHBondContact O-N 3.44Å; L382-T385 PolarHBondContact O-OG1 2.89Å; L382-T385 VanDerWaalsContact O-OG1 3.13Å; L382-G386 PolarHBondContact O-N 3.21Å; L382-S387 PolarHBondContact O-N 3.33Å; L382-H390 HydrophobicContact CD1-CB 3.78Å
383V90.9Very high89.6Confident117 Ų11782.4 Ų82.471%0.70946%0.462SS*.Hα-helixtrans-61.7-43.5176.3171.20000111.3S379 C381 T385 G386S379-V383 VanDerWaalsContact O-CG2 3.32Å; S379-V383 WeakPolarHBondContact O-CG2 3.48Å; S379-V383 PolarHBondContact O-N 3.1Å; S379-V383 VanDerWaalsContact O-N 3.08Å; C381-V383 VanDerWaalsContact C-N 3.34Å; C381-V383 PolarHBondContact O-N 2.93Å; V383-T385 VanDerWaalsContact C-N 3.32Å; V383-T385 PolarHBondContact O-N 3.27Å; V383-G386 PolarHBondContact O-N 2.85Å
384K91.5Very high89.4Confident171 Ų17184.1 Ų84.174%0.74347%0.467SS*.Hα-helixtrans-65.8-32.7179.7-77.6176.5179.4177.50113.1T380 C381 L382 G386T380-K384 HydrophobicContact CG2-CD 4.26Å; T380-K384 WeakPolarHBondContact O-CB 3.35Å; T380-K384 VanDerWaalsContact O-CG 3.32Å; T380-K384 WeakPolarHBondContact O-CG 3.5Å; T380-K384 PolarHBondContact O-N 3.31Å; C381-K384 PolarHBondContact O-N 2.8Å; C381-K384 VanDerWaalsContact O-N 3.16Å; L382-K384 PolarHBondContact O-N 2.86Å; K384-G386 VanDerWaalsContact C-N 3.3Å
385T92.3Very high89.1Confident99 Ų9983.1 Ų83.161%0.60747%0.465SS*.THydrogen-bonded Turntrans-86.8-0.3178.454.80000113.2C381 L382 V383 S387C381-T385 PolarHBondContact O-N 3.35Å; C381-T385 PolarHBondContact O-OG1 3.09Å; C381-T385 VanDerWaalsContact O-OG1 3.1Å; L382-T385 PolarHBondContact O-N 3.44Å; L382-T385 PolarHBondContact O-OG1 2.89Å; L382-T385 VanDerWaalsContact O-OG1 3.13Å; V383-T385 VanDerWaalsContact C-N 3.32Å; V383-T385 PolarHBondContact O-N 3.27Å; T385-S387 PolarHBondContact O-N 3.26Å; T385-S387 PolarHBondContact OG1-OG 2.74Å
386G89.7Confident89Confident70 Ų7088.4 Ų88.472%0.72249%0.493SS*.THydrogen-bonded Turntrans63.924.4-17400000112.7L382 V383 K384L382-G386 PolarHBondContact O-N 3.21Å; V383-G386 PolarHBondContact O-N 2.85Å; K384-G386 VanDerWaalsContact C-N 3.3Å
387S89.7Confident89.1Confident56 Ų5686 Ų8639%0.39248%0.481SS..PPolyproline II helixtrans-85.3147.2178.8-560000110.4L382 T385L382-S387 PolarHBondContact O-N 3.33Å; T385-S387 PolarHBondContact O-N 3.26Å; T385-S387 PolarHBondContact OG1-OG 2.74Å
388E85.7Confident89.1Confident160 Ų16087.3 Ų87.375%0.74849%0.485SS*.PPolyproline II helixtrans-60.1151.2174.3-70.7-62147.900111.6H390E388-H390 PolarHBondContact O-N 3.45Å
389P80.6Confident89.2Confident74 Ų7485.5 Ų85.548%0.48148%0.477SS..PPolyproline II helixtrans-54129170.5-22.633.1000110.5Y391P389-Y391 HydrophobicContact CB-CE2 4.01Å; P389-Y391 VanDerWaalsContact O-CD2 3.27Å; P389-Y391 WeakPolarHBondContact O-CD2 3.3Å; P389-Y391 WeakPolarHBondContact O-CE2 3.47Å; P389-Y391 PolarHBondContact O-N 3.28Å
390H80.8Confident88.9Confident79 Ų7990.7 Ų90.737%0.36649%0.486SS..PPolyproline II helixtrans-81.9117.7176.9176.155.1000109.7H358 L382 E388H358-H390 AromaticContact CE1-CD2 3.5Å; H358-H390 PolarHBondContact CE1-O 3.21Å; H358-H390 AromaticContact ND1-CD2 3.05Å; H358-H390 PolarHBondContact ND1-CD2 3.35Å; H358-H390 AromaticContact ND1-NE2 3.37Å; H358-H390 PolarHBondContact ND1-NE2 3.28Å; L382-H390 HydrophobicContact CD1-CB 3.78Å; E388-H390 PolarHBondContact O-N 3.45Å
391Y81.6Confident87.9Confident183 Ų18391.5 Ų91.572%0.71849%0.493SS*.PPolyproline II helixtrans-97.4116.6172.6-60.6-86.6000108.7P389 L393P389-Y391 HydrophobicContact CB-CE2 4.01Å; P389-Y391 VanDerWaalsContact O-CD2 3.27Å; P389-Y391 WeakPolarHBondContact O-CD2 3.3Å; P389-Y391 WeakPolarHBondContact O-CE2 3.47Å; P389-Y391 PolarHBondContact O-N 3.28Å; Y391-L393 PolarHBondContact O-N 3.42Å
392A83.2Confident86.2Confident21 Ų2196.4 Ų96.417%0.17452%0.515CS..PPolyproline II helixtrans-68.9127.5174.300000109.9H358 L359H358-A392 HydrophobicContact CB-CB 4.26Å; L359-A392 HydrophobicContact CD2-CB 3.65Å; L359-A392 HydrophobicContact CG-CB 3.9Å
393L87.5Confident84.4Confident118 Ų11898.5 Ų98.562%0.61853%0.533SS*.PPolyproline II helixtrans-73.4127.1171.8-65.2176.5000108.6Y391 P395Y391-L393 PolarHBondContact O-N 3.42Å; L393-P395 VanDerWaalsContact O-CD 3.31Å; L393-P395 WeakPolarHBondContact O-CD 3.41Å
394V91.7Very high82.1Confident89 Ų8997.9 Ų97.954%0.53953%0.53SS..  trans-85115.8173.7178.90000107.9W224 L359W224-V394 HydrophobicContact CZ2-CG1 3.93Å; W224-V394 HydrophobicContact CZ2-CG2 4.05Å; L359-V394 HydrophobicContact CD2-CG2 3.85Å
395P90.4Very high79.8Confident25 Ų2597.3 Ų97.316%0.16253%0.53CS..  trans-66.2139.3177.1-20.334.7000110.9Q212 N242 I356 L393Q212-P395 HydrophobicContact CG-CB 3.79Å; N242-P395 WeakPolarHBondContact ND2-CG 3.35Å; I356-P395 HydrophobicContact CD1-CG 4.46Å; L393-P395 VanDerWaalsContact O-CD 3.31Å; L393-P395 WeakPolarHBondContact O-CD 3.41Å
396D93.2Very high77.1Confident124 Ų124100.9 Ų100.966%0.66354%0.54SS*.  trans-67.3139.1171.8-73.8-41.2000110.2Q212 L398Q212-D396 VanDerWaalsContact CB-O 3.29Å; Q212-D396 WeakPolarHBondContact CB-O 3.46Å; Q212-D396 PolarHBondContact NE2-O 3.44Å; D396-L398 HydrophobicContact CB-CD2 4.36Å; D396-L398 PolarHBondContact O-N 3.42Å
397F95.1Very high74.7Confident75 Ų75106.3 Ų106.333%0.32955%0.546SS..  trans-79.2110.2169.3177.9-98.7000109.5R220 E223R220-F397 VanDerWaalsContact CA-CE2 3.44Å; R220-F397 HydrophobicContact CB-CD1 4.23Å; R220-F397 HydrophobicContact CB-CD2 4.15Å; R220-F397 HydrophobicContact CB-CE1 3.96Å; R220-F397 HydrophobicContact CB-CE2 3.86Å; R220-F397 HydrophobicContact CB-CG 4.32Å; R220-F397 HydrophobicContact CB-CZ 3.76Å; R220-F397 HydrophobicContact CG-CD1 4.21Å; R220-F397 HydrophobicContact CG-CD2 4.09Å; R220-F397 HydrophobicContact CG-CE1 4.44Å; R220-F397 HydrophobicContact CG-CE2 4.33Å; R220-F397 HydrophobicContact CG-CG 4.02Å; R220-F397 HydrophobicContact CG-CZ 4.5Å; E223-F397 HydrophobicContact CG-CD2 4.32Å; E223-F397 WeakPolarHBondContact OE1-CD2 3.14Å
398L95.3Very high72.2Confident108 Ų108108.7 Ų108.757%0.56555%0.553SS**  trans-85.3-31.8-179.7-56.3179.8000112Q212 T214 D396Q212-L398 HydrophobicContact CB-CB 4.5Å; Q212-L398 HydrophobicContact CB-CD1 4.06Å; Q212-L398 HydrophobicContact CB-CG 3.95Å; Q212-L398 PolarHBondContact O-N 3.26Å; T214-L398 HydrophobicContact CG2-CB 3.69Å; T214-L398 HydrophobicContact CG2-CD1 3.93Å; T214-L398 HydrophobicContact CG2-CG 4.42Å; D396-L398 HydrophobicContact CB-CD2 4.36Å; D396-L398 PolarHBondContact O-N 3.42Å
399G91Very high70.2Confident6 Ų6103.7 Ų103.76%0.06254%0.54CS..  trans65.2-164.8-176.600000113.2Q212 G213 T214 S401Q212-G399 PolarHBondContact O-N 3.29Å; G213-G399 CarbonylContact O-C 3.47Å; G213-G399 VanDerWaalsContact O-CA 3.25Å; G213-G399 WeakPolarHBondContact O-CA 3.4Å; T214-G399 WeakPolarHBondContact CG2-O 3.38Å; G399-S401 PolarHBondContact O-N 3.15Å
400R85.3Confident68.3Low177 Ų177105.3 Ų105.367%0.66855%0.548SS*.SBendtrans-67.5116178-168.4176.5-176.5174.43.3109.8F218F218-R400 HydrophobicContact CB-CB 3.89Å; F218-R400 HydrophobicContact CD1-CB 4.22Å; F218-R400 HydrophobicContact CD1-CG 4.27Å; F218-R400 HydrophobicContact CD2-CB 4.27Å; F218-R400 HydrophobicContact CD2-CG 4.14Å; F218-R400 HydrophobicContact CE1-CG 4.47Å; F218-R400 HydrophobicContact CE2-CG 4.34Å; F218-R400 HydrophobicContact CG-CB 3.88Å; F218-R400 HydrophobicContact CG-CG 4.1Å
401S69.2Low66.5Low61 Ų61107.8 Ų107.843%0.42756%0.563SS.*  trans-69.5147.3171.255.90000110.6G399 S403G399-S401 PolarHBondContact O-N 3.15Å; S401-S403 WeakPolarHBondContact CB-OG 3.24Å; S401-S403 PolarHBondContact O-N 2.55Å; S401-S403 PolarHBondContact OG-OG 2.99Å
402N56.7Low65.1Low170 Ų170101.9 Ų101.991%0.90956%0.558SS**  trans-75.51.1167.1-74.9-20.9000112.3T404N402-T404 PolarHBondContact O-N 2.73Å; N402-T404 VanDerWaalsContact O-N 3.13Å
403S51.9Low64.3Low85 Ų85103.4 Ų103.459%0.59457%0.567SS**  trans-63117.7175.956.60000108S401S401-S403 WeakPolarHBondContact CB-OG 3.24Å; S401-S403 PolarHBondContact O-N 2.55Å; S401-S403 PolarHBondContact OG-OG 2.99Å
404T41.1Very low63.7Low105 Ų105101.6 Ų101.664%0.64456%0.558SS**  trans-42.3147.2172.737.80000111.4N402 E406N402-T404 PolarHBondContact O-N 2.73Å; N402-T404 VanDerWaalsContact O-N 3.13Å; T404-E406 PolarHBondContact O-N 3.16Å
405E43.2Very low63.1Low158 Ų15898.1 Ų98.174%0.73854%0.537SS*.  trans-51.661.2179-61.8169.2156.400114.2E407 I408E405-E407 VanDerWaalsContact C-N 3.35Å; E405-E407 PolarHBondContact O-N 2.84Å; E405-I408 HydrophobicContact CB-CD1 4.43Å; E405-I408 HydrophobicContact CB-CG1 4.21Å
406E36.5Very low62.8Low175 Ų17599.1 Ų99.182%0.81854%0.541SS*.THydrogen-bonded Turntrans-88.32.3-173.2-102.8-174.7171.300114.5T404T404-E406 PolarHBondContact O-N 3.16Å
407E39.7Very low62.4Low184 Ų18495 Ų9586%0.8653%0.525SS*.THydrogen-bonded Turntrans-133.565.1160.6-72.3-174.9162.700109.2E405 A409E405-E407 VanDerWaalsContact C-N 3.35Å; E405-E407 PolarHBondContact O-N 2.84Å; E407-A409 PolarHBondContact O-N 3.01Å
408I36.6Very low62Low105 Ų10595 Ų9554%0.53854%0.538SS..  trans-60.692.5145.8-59.9173.8000104.1E405 T410 I411E405-I408 HydrophobicContact CB-CD1 4.43Å; E405-I408 HydrophobicContact CB-CG1 4.21Å; I408-T410 PolarHBondContact O-N 3.18Å; I408-I411 HydrophobicContact CG2-CD1 4.49Å; I408-I411 HydrophobicContact CG2-CG1 4.01Å
409A43.9Very low61.8Low56 Ų5693.2 Ų93.246%0.46353%0.527SS..  trans-41.9115.7157.200000104.8E407 I411E407-A409 PolarHBondContact O-N 3.01Å; A409-I411 PolarHBondContact O-N 3.04Å
410T39.8Very low61.9Low107 Ų10793 Ų9366%0.65652%0.524SS*.  trans-39.6111.6-178.76.30000107.1I408 G412 S413I408-T410 PolarHBondContact O-N 3.18Å; T410-G412 PolarHBondContact O-N 3.26Å; T410-S413 PolarHBondContact O-N 2.94Å; T410-S413 PolarHBondContact O-OG 3.23Å; T410-S413 VanDerWaalsContact O-OG 3.09Å; T410-S413 PolarHBondContact OG1-OG 3.12Å
411I44.7Very low62.3Low131 Ų13189.3 Ų89.367%0.67252%0.518SS*.THydrogen-bonded Turntrans-47.8115.3-172.4-66.1170.5000107.4I408 A409I408-I411 HydrophobicContact CG2-CD1 4.49Å; I408-I411 HydrophobicContact CG2-CG1 4.01Å; A409-I411 PolarHBondContact O-N 3.04Å
412G51.8Low63.4Low60 Ų6092.2 Ų92.262%0.61953%0.528SS*.THydrogen-bonded Turntrans98.6-1.7-177.300000118T410 L414T410-G412 PolarHBondContact O-N 3.26Å; G412-L414 PolarHBondContact O-N 2.95Å
413S66.6Low65.2Low52 Ų5285.3 Ų85.336%0.36449%0.492SS..PPolyproline II helixtrans-77.8119.5172.161.80000111.1T410 S415T410-S413 PolarHBondContact O-N 2.94Å; T410-S413 PolarHBondContact O-OG 3.23Å; T410-S413 VanDerWaalsContact O-OG 3.09Å; T410-S413 PolarHBondContact OG1-OG 3.12Å; S413-S415 PolarHBondContact O-N 3.5Å
414L75Confident67.2Low80 Ų8081.5 Ų81.542%0.41947%0.465SS..PPolyproline II helixtrans-63.3131.5174.5-64.2172.7000110.6G282 C319 G412 A417 L420G282-L414 WeakPolarHBondContact O-CA 3.22Å; G282-L414 WeakPolarHBondContact O-CD2 3.27Å; C319-L414 HydrophobicContact CB-CD2 3.95Å; G412-L414 PolarHBondContact O-N 2.95Å; L414-A417 HydrophobicContact CB-CB 3.97Å; L414-A417 HydrophobicContact CD1-CB 4.47Å; L414-L420 HydrophobicContact CD1-CD2 4.12Å
415S77.9Confident69.7Low16 Ų1684.4 Ų84.411%0.11246%0.464CS..BIsolated β-bridgetrans-67.3138.6168.7660000109.5G282 C283 S413 A417G282-S415 WeakPolarHBondContact CA-O 3.37Å; G282-S415 PolarHBondContact N-O 3.3Å; G282-S415 VanDerWaalsContact N-O 3.12Å; G282-S415 PolarHBondContact O-N 2.9Å; C283-S415 PolarHBondContact N-OG 3.4Å; C283-S415 WeakPolarHBondContact O-CB 3.5Å; C283-S415 PolarHBondContact O-OG 3.48Å; S413-S415 PolarHBondContact O-N 3.5Å; S415-A417 PolarHBondContact O-N 2.97Å
416N84Confident72.1Confident46 Ų4680.4 Ų80.425%0.24645%0.448CS..THydrogen-bonded Turntrans53.435172.5-53.3-45000114.8I281 A418 E419 L420I281-N416 HydrophobicContact CD1-CB 4.4Å; I281-N416 HydrophobicContact CG1-CB 3.89Å; N416-A418 VanDerWaalsContact C-N 3.27Å; N416-A418 PolarHBondContact O-N 3.33Å; N416-A418 VanDerWaalsContact O-N 3.1Å; N416-E419 HydrophobicContact CB-CB 4.39Å; N416-E419 WeakPolarHBondContact O-CB 3.43Å; N416-E419 PolarHBondContact O-N 2.74Å; N416-L420 PolarHBondContact O-N 3.18Å; N416-L420 VanDerWaalsContact O-N 3.09Å
417A85.1Confident74.9Confident39 Ų3972 Ų7232%0.32241%0.409SS..Hα-helixtrans-54.4-35.4-170.800000115L414 S415 L420 N421L414-A417 HydrophobicContact CB-CB 3.97Å; L414-A417 HydrophobicContact CD1-CB 4.47Å; S415-A417 PolarHBondContact O-N 2.97Å; A417-L420 PolarHBondContact O-N 3.23Å; A417-N421 PolarHBondContact O-N 2.81Å; A417-N421 VanDerWaalsContact O-N 3.13Å; A417-N421 PolarHBondContact O-ND2 3.19Å
418A87.6Confident77.5Confident73 Ų7368.1 Ų68.160%0.60339%0.391SS*.Hα-helixtrans-65.7-39.617700000112.2N416 L422N416-A418 VanDerWaalsContact C-N 3.27Å; N416-A418 PolarHBondContact O-N 3.33Å; N416-A418 VanDerWaalsContact O-N 3.1Å; A418-L422 PolarHBondContact O-N 2.89Å
419E90.4Very high80.1Confident72 Ų7267.7 Ų67.734%0.33639%0.389SS..Hα-helixtrans-69.6-40.1177-62.6176.2-178.700110.5I281 K289 N416 N421 L422 V423I281-E419 HydrophobicContact CD1-CB 3.3Å; I281-E419 HydrophobicContact CD1-CG 4.44Å; I281-E419 HydrophobicContact CG1-CB 4.27Å; K289-E419 WeakPolarHBondContact CD-OE2 3.47Å; K289-E419 WeakPolarHBondContact CE-OE2 3.43Å; K289-E419 VanDerWaalsContact NZ-CD 3.3Å; K289-E419 IonicContact NZ-OE1 3.51Å; K289-E419 PolarHBondContact NZ-OE1 3Å; K289-E419 IonicContact NZ-OE2 2.65Å; K289-E419 PolarHBondContact NZ-OE2 3.4Å; N416-E419 HydrophobicContact CB-CB 4.39Å; N416-E419 WeakPolarHBondContact O-CB 3.43Å; N416-E419 PolarHBondContact O-N 2.74Å; E419-N421 PolarHBondContact O-N 3.22Å; E419-L422 PolarHBondContact O-N 3.08Å; E419-V423 WeakPolarHBondContact O-CG2 3.24Å; E419-V423 PolarHBondContact O-N 3.43Å
420L92.6Very high82.2Confident1 Ų166.7 Ų66.71%0.00538%0.377CS..Hα-helixtrans-54.7-50.3173.4173.867.1000111.7I281 L414 N416 A417 L422 V423 V424I281-L420 HydrophobicContact CG2-CB 4.41Å; I281-L420 HydrophobicContact CG2-CD1 3.92Å; L414-L420 HydrophobicContact CD1-CD2 4.12Å; N416-L420 PolarHBondContact O-N 3.18Å; N416-L420 VanDerWaalsContact O-N 3.09Å; A417-L420 PolarHBondContact O-N 3.23Å; L420-L422 VanDerWaalsContact C-N 3.26Å; L420-L422 PolarHBondContact O-N 3.12Å; L420-V423 PolarHBondContact O-N 3.37Å; L420-V424 HydrophobicContact CD1-CG2 3.75Å; L420-V424 HydrophobicContact CG-CG2 4.21Å; L420-V424 WeakPolarHBondContact O-CG2 3.36Å; L420-V424 PolarHBondContact O-N 2.84Å
421N93.2Very high84.5Confident99 Ų9961.9 Ų61.953%0.52935%0.348SS..Hα-helixtrans-58.3-37.9-179.8-74.8-36.4000112.5A417 E419 R425A417-N421 PolarHBondContact O-N 2.81Å; A417-N421 VanDerWaalsContact O-N 3.13Å; A417-N421 PolarHBondContact O-ND2 3.19Å; E419-N421 PolarHBondContact O-N 3.22Å; N421-R425 VanDerWaalsContact O-CB 3.31Å; N421-R425 WeakPolarHBondContact O-CB 3.15Å; N421-R425 PolarHBondContact O-N 3.28Å; N421-R425 VanDerWaalsContact O-N 3.13Å
422L93.6Very high86.2Confident122 Ų12258.8 Ų58.864%0.63934%0.338SS*.Hα-helixtrans-68-45.6177.3-69.7173.7000111.5A418 E419 L420 R425 D426A418-L422 PolarHBondContact O-N 2.89Å; E419-L422 PolarHBondContact O-N 3.08Å; L420-L422 VanDerWaalsContact C-N 3.26Å; L420-L422 PolarHBondContact O-N 3.12Å; L422-R425 PolarHBondContact O-N 2.75Å; L422-D426 PolarHBondContact O-N 2.87Å; L422-D426 VanDerWaalsContact O-N 3.12Å
423V94.1Very high87.3Confident25 Ų2562.8 Ų62.815%0.15234%0.338CS..Hα-helixtrans-64-44.5179.9171.60000111.3P292 E419 L420 D426 L427P292-V423 HydrophobicContact CG-CG1 4.36Å; E419-V423 WeakPolarHBondContact O-CG2 3.24Å; E419-V423 PolarHBondContact O-N 3.43Å; L420-V423 PolarHBondContact O-N 3.37Å; V423-D426 PolarHBondContact O-N 3.43Å; V423-L427 HydrophobicContact CG1-CD1 4.08Å; V423-L427 WeakPolarHBondContact O-CG 3.4Å; V423-L427 PolarHBondContact O-N 3.43Å
424V94.3Very high87.5Confident6 Ų663.2 Ų63.24%0.03633%0.332CS..Hα-helixtrans-63.5-44.8178.4170.20000111.2E321 L420 D426 L427 E428E321-V424 HydrophobicContact CG-CG1 4.22Å; E321-V424 HydrophobicContact CG-CG2 3.66Å; L420-V424 HydrophobicContact CD1-CG2 3.75Å; L420-V424 HydrophobicContact CG-CG2 4.21Å; L420-V424 WeakPolarHBondContact O-CG2 3.36Å; L420-V424 PolarHBondContact O-N 2.84Å; V424-D426 VanDerWaalsContact C-N 3.28Å; V424-D426 PolarHBondContact O-N 2.86Å; V424-L427 WeakPolarHBondContact O-CB 3.27Å; V424-L427 PolarHBondContact O-N 3.13Å; V424-E428 HydrophobicContact CG1-CG 4.33Å; V424-E428 WeakPolarHBondContact O-CG 3.27Å; V424-E428 PolarHBondContact O-N 3.08Å
425R94.3Very high87.1Confident166 Ų16667.1 Ų67.163%0.62634%0.341SS*.Hα-helixtrans-59.2-40177.3-175.8179.1178.7-178-0.2112.1N421 L422 L429N421-R425 VanDerWaalsContact O-CB 3.31Å; N421-R425 WeakPolarHBondContact O-CB 3.15Å; N421-R425 PolarHBondContact O-N 3.28Å; N421-R425 VanDerWaalsContact O-N 3.13Å; L422-R425 PolarHBondContact O-N 2.75Å; R425-L429 HydrophobicContact CG-CD1 4.18Å; R425-L429 WeakPolarHBondContact O-CB 3.48Å; R425-L429 VanDerWaalsContact O-CG 3.23Å; R425-L429 WeakPolarHBondContact O-CG 3.43Å; R425-L429 PolarHBondContact O-N 3.25Å; R425-L429 VanDerWaalsContact O-N 3.08Å
426D93.4Very high86.3Confident73 Ų7374 Ų7439%0.3937%0.371SS..Hα-helixtrans-65.3-43.1176.1-176.764.7000112.3L422 V423 V424 E428 L429 T430L422-D426 PolarHBondContact O-N 2.87Å; L422-D426 VanDerWaalsContact O-N 3.12Å; V423-D426 PolarHBondContact O-N 3.43Å; V424-D426 VanDerWaalsContact C-N 3.28Å; V424-D426 PolarHBondContact O-N 2.86Å; D426-E428 PolarHBondContact O-N 3.36Å; D426-L429 PolarHBondContact O-N 2.68Å; D426-T430 WeakPolarHBondContact O-CB 3.11Å; D426-T430 PolarHBondContact O-N 2.78Å; D426-T430 PolarHBondContact O-OG1 3.43Å
427L94.9Very high84.9Confident0 Ų078.9 Ų78.90%039%0.392CS..Hα-helixtrans-61-43.4175.7-75169.6000112.4P292 Q293 W325 F340 V423 V424 T431P292-L427 HydrophobicContact CB-CD1 3.93Å; P292-L427 HydrophobicContact CG-CD1 4.04Å; Q293-L427 HydrophobicContact CG-CD2 3.8Å; W325-L427 HydrophobicContact CB-CD1 4.02Å; W325-L427 HydrophobicContact CD2-CB 4Å; W325-L427 HydrophobicContact CD2-CD1 3.78Å; W325-L427 HydrophobicContact CD2-CG 4.45Å; W325-L427 HydrophobicContact CE3-CB 3.79Å; W325-L427 HydrophobicContact CE3-CD1 3.85Å; W325-L427 HydrophobicContact CE3-CD2 4.25Å; W325-L427 HydrophobicContact CE3-CG 4.19Å; W325-L427 HydrophobicContact CG-CD1 3.87Å; W325-L427 HydrophobicContact CH2-CB 3.84Å; W325-L427 HydrophobicContact CZ2-CB 4.05Å; W325-L427 HydrophobicContact CZ3-CB 3.71Å; W325-L427 HydrophobicContact CZ3-CD2 4.43Å; W325-L427 HydrophobicContact CZ3-CG 4.48Å; F340-L427 HydrophobicContact CB-CD2 4.24Å; F340-L427 HydrophobicContact CD1-CD2 3.78Å; F340-L427 HydrophobicContact CD2-CD2 3.55Å; F340-L427 HydrophobicContact CE1-CD2 3.96Å; F340-L427 HydrophobicContact CE2-CD2 3.71Å; F340-L427 HydrophobicContact CG-CD2 3.59Å; F340-L427 HydrophobicContact CZ-CD2 3.93Å; V423-L427 HydrophobicContact CG1-CD1 4.08Å; V423-L427 WeakPolarHBondContact O-CG 3.4Å; V423-L427 PolarHBondContact O-N 3.43Å; V424-L427 WeakPolarHBondContact O-CB 3.27Å; V424-L427 PolarHBondContact O-N 3.13Å; L427-T431 WeakPolarHBondContact O-CB 3.04Å; L427-T431 PolarHBondContact O-N 3.38Å; L427-T431 PolarHBondContact O-OG1 2.89Å
428E94.3Very high83.4Confident102 Ų10283 Ų8348%0.47742%0.416SS..Hα-helixtrans-63.3-46.5176.6-74.4-179.5155.100112.3W325 V424 D426 T431 S432W325-E428 HydrophobicContact CH2-CG 4.34Å; W325-E428 HydrophobicContact CZ2-CG 3.59Å; V424-E428 HydrophobicContact CG1-CG 4.33Å; V424-E428 WeakPolarHBondContact O-CG 3.27Å; V424-E428 PolarHBondContact O-N 3.08Å; D426-E428 PolarHBondContact O-N 3.36Å; E428-T431 PolarHBondContact O-N 2.7Å; E428-S432 WeakPolarHBondContact O-CB 3.46Å; E428-S432 PolarHBondContact O-N 3.36Å; E428-S432 PolarHBondContact O-OG 2.84Å
429L91.6Very high81.9Confident96 Ų9683.9 Ų83.950%0.50341%0.409SS..Hα-helixtrans-62.6-43.9178.1-74171000111.4R425 D426 K433R425-L429 HydrophobicContact CG-CD1 4.18Å; R425-L429 WeakPolarHBondContact O-CB 3.48Å; R425-L429 VanDerWaalsContact O-CG 3.23Å; R425-L429 WeakPolarHBondContact O-CG 3.43Å; R425-L429 PolarHBondContact O-N 3.25Å; R425-L429 VanDerWaalsContact O-N 3.08Å; D426-L429 PolarHBondContact O-N 2.68Å; L429-K433 WeakPolarHBondContact O-CG 3.37Å; L429-K433 PolarHBondContact O-N 3.17Å
430T87.3Confident80.3Confident34 Ų3483.5 Ų83.521%0.20941%0.413CS..Hα-helixtrans-69.5-41.2179.7-59.40000111.5F340 D426 S432 K433 W434F340-T430 HydrophobicContact CD1-CG2 3.75Å; F340-T430 HydrophobicContact CE1-CG2 3.76Å; D426-T430 WeakPolarHBondContact O-CB 3.11Å; D426-T430 PolarHBondContact O-N 2.78Å; D426-T430 PolarHBondContact O-OG1 3.43Å; T430-S432 VanDerWaalsContact C-N 3.32Å; T430-S432 PolarHBondContact O-N 2.67Å; T430-K433 WeakPolarHBondContact O-CB 3.08Å; T430-K433 PolarHBondContact O-N 3.44Å; T430-W434 HydrophobicContact CG2-CZ2 4.13Å; T430-W434 PolarHBondContact O-N 3.04Å
431T86.9Confident78.4Confident7 Ų790.8 Ų90.84%0.04344%0.44CS..Hα-helixtrans-63.2-38.5177.5-62.90000112.3L54 F340 L427 E428 K433 W434 R435L54-T431 HydrophobicContact CD2-CG2 3.72Å; F340-T431 VanDerWaalsContact CZ-OG1 3.31Å; F340-T431 WeakPolarHBondContact CZ-OG1 3.33Å; L427-T431 WeakPolarHBondContact O-CB 3.04Å; L427-T431 PolarHBondContact O-N 3.38Å; L427-T431 PolarHBondContact O-OG1 2.89Å; E428-T431 PolarHBondContact O-N 2.7Å; T431-K433 VanDerWaalsContact C-N 3.31Å; T431-K433 PolarHBondContact O-N 3.12Å; T431-W434 PolarHBondContact O-N 3.33Å; T431-R435 PolarHBondContact O-N 3.3Å
432S81.3Confident76.7Confident66 Ų6689.4 Ų89.446%0.46244%0.435SS..Hα-helixtrans-61.2-40.9177.6-610000111.5E428 T430 W434 R435E428-S432 WeakPolarHBondContact O-CB 3.46Å; E428-S432 PolarHBondContact O-N 3.36Å; E428-S432 PolarHBondContact O-OG 2.84Å; T430-S432 VanDerWaalsContact C-N 3.32Å; T430-S432 PolarHBondContact O-N 2.67Å; S432-W434 VanDerWaalsContact C-N 3.34Å; S432-W434 PolarHBondContact O-N 2.91Å; S432-R435 PolarHBondContact O-N 3.46Å
433K75Confident74.9Confident143 Ų14387.8 Ų87.862%0.62242%0.424SS*.Hα-helixtrans-63.4-35.9175.6-66.5174.3-177.1175.20113L429 T430 T431 R435 E436L429-K433 WeakPolarHBondContact O-CG 3.37Å; L429-K433 PolarHBondContact O-N 3.17Å; T430-K433 WeakPolarHBondContact O-CB 3.08Å; T430-K433 PolarHBondContact O-N 3.44Å; T431-K433 VanDerWaalsContact C-N 3.31Å; T431-K433 PolarHBondContact O-N 3.12Å; K433-R435 VanDerWaalsContact C-N 3.3Å; K433-R435 PolarHBondContact O-N 2.89Å; K433-E436 PolarHBondContact O-N 3.4Å
434W71.2Confident73.1Confident61 Ų6193.6 Ų93.623%0.23145%0.447CS..Hα-helixtrans-71-23.3178.5-68.2-4.1000113.8P338 F340 T430 T431 S432 E436 M439P338-W434 WeakPolarHBondContact O-CH2 3.44Å; P338-W434 WeakPolarHBondContact O-CZ3 3.41Å; F340-W434 AromaticContact CD1-CH2 3.76Å; F340-W434 HydrophobicContact CD1-CH2 3.76Å; F340-W434 HydrophobicContact CD1-CZ2 4.13Å; F340-W434 HydrophobicContact CD1-CZ3 4.35Å; F340-W434 HydrophobicContact CD2-CH2 4.4Å; F340-W434 HydrophobicContact CE1-CE3 4.39Å; F340-W434 AromaticContact CE1-CH2 3.7Å; F340-W434 HydrophobicContact CE1-CH2 3.7Å; F340-W434 HydrophobicContact CE1-CZ2 4.18Å; F340-W434 AromaticContact CE1-CZ3 3.83Å; F340-W434 HydrophobicContact CE1-CZ3 3.83Å; F340-W434 HydrophobicContact CE2-CH2 4.37Å; F340-W434 HydrophobicContact CE2-CZ3 4.23Å; F340-W434 HydrophobicContact CG-CH2 4.11Å; F340-W434 HydrophobicContact CZ-CE3 4.41Å; F340-W434 HydrophobicContact CZ-CH2 4.01Å; F340-W434 AromaticContact CZ-CZ3 3.76Å; F340-W434 HydrophobicContact CZ-CZ3 3.76Å; T430-W434 HydrophobicContact CG2-CZ2 4.13Å; T430-W434 PolarHBondContact O-N 3.04Å; T431-W434 PolarHBondContact O-N 3.33Å; S432-W434 VanDerWaalsContact C-N 3.34Å; S432-W434 PolarHBondContact O-N 2.91Å; W434-E436 VanDerWaalsContact C-N 3.26Å; W434-M439 HydrophobicContact CD2-CE 4.15Å; W434-M439 HydrophobicContact CG-CE 4.25Å
435R66.6Low71.3Confident162 Ų16297.3 Ų97.361%0.61146%0.464SS*.Hα-helixtrans-71.2-23.6174.1-72.6-179.4173.4173.1-2.8112.6E53 T431 S432 K433E53-R435 PolarHBondContact O-NH2 3.17Å; T431-R435 PolarHBondContact O-N 3.3Å; S432-R435 PolarHBondContact O-N 3.46Å; K433-R435 VanDerWaalsContact C-N 3.3Å; K433-R435 PolarHBondContact O-N 2.89Å
436E60.2Low69.5Low161 Ų16194 Ų9475%0.75246%0.458SS*.Hα-helixtrans-83.4-20.7-176.7-66-178.9172.900113.4K433 W434K433-E436 PolarHBondContact O-N 3.4Å; W434-E436 VanDerWaalsContact C-N 3.26Å
437Q55Low67.8Low148 Ų14894.9 Ų94.969%0.69246%0.462SS*.SBendtrans-142.4119-179-63.8-171.9-6.700111.3M439Q437-M439 PolarHBondContact O-N 3.08Å; Q437-M439 VanDerWaalsContact O-N 3.1Å
438P52.9Low66.1Low126 Ų12696.2 Ų96.282%0.81847%0.469SS*.PPolyproline II helixtrans-61.4117.9164.924.8-29.5000108P440P438-P440 VanDerWaalsContact O-CD 3.25Å; P438-P440 WeakPolarHBondContact O-CD 3.22Å
439M56.9Low64.1Low91 Ų9196.4 Ų96.445%0.44847%0.47SS..PPolyproline II helixtrans-65.9119.6172.6-86.5-179-69.600108.4P338 W434 Q437 R441P338-M439 HydrophobicContact CB-CE 3.6Å; P338-M439 HydrophobicContact CB-SD 4.05Å; P338-M439 HydrophobicContact CG-CE 3.27Å; P338-M439 HydrophobicContact CG-SD 3.69Å; W434-M439 HydrophobicContact CD2-CE 4.15Å; W434-M439 HydrophobicContact CG-CE 4.25Å; Q437-M439 PolarHBondContact O-N 3.08Å; Q437-M439 VanDerWaalsContact O-N 3.1Å; M439-R441 PolarHBondContact O-N 2.84Å
440P56Low62.4Low65 Ų6595.1 Ų95.142%0.42247%0.469SS..PPolyproline II helixtrans-60.6132.2176.321.5-29.3000109.2P438 V442 L477P438-P440 VanDerWaalsContact O-CD 3.25Å; P438-P440 WeakPolarHBondContact O-CD 3.22Å; P440-V442 PolarHBondContact O-N 3.5Å; P440-L477 HydrophobicContact CB-CB 3.99Å; P440-L477 HydrophobicContact CB-CD1 4.44Å; P440-L477 HydrophobicContact CB-CD2 4.02Å; P440-L477 HydrophobicContact CB-CG 4.36Å; P440-L477 HydrophobicContact CG-CD1 4.11Å; P440-L477 HydrophobicContact CG-CD2 3.92Å; P440-L477 HydrophobicContact CG-CG 4.4Å
441R54.3Low60.7Low154 Ų15494.9 Ų94.958%0.58147%0.468SS*.PPolyproline II helixtrans-67.7125.8179.2-64.5-177.3111.6172.17.3108.6M439 H443 L477 A478M439-R441 PolarHBondContact O-N 2.84Å; R441-H443 PolarHBondContact O-N 3.41Å; R441-L477 CarbonylContact O-C 3.55Å; R441-A478 HydrophobicContact CB-CB 3.84Å; R441-A478 PolarHBondContact O-N 3.01Å
442V57.1Low59.1Low69 Ų69103.3 Ų103.342%0.41851%0.513SS..EExtended strand (participates in β ladder)trans-79.7114.8173-179.10000108.9P440 F444 C475 L477P440-V442 PolarHBondContact O-N 3.5Å; V442-F444 HydrophobicContact CB-CE2 4.12Å; V442-F444 HydrophobicContact CG1-CD2 3.99Å; V442-F444 HydrophobicContact CG1-CE1 4.15Å; V442-F444 HydrophobicContact CG1-CE2 3.51Å; V442-F444 HydrophobicContact CG1-CZ 3.6Å; V442-C475 WeakPolarHBondContact CG1-SG 3.47Å; V442-L477 HydrophobicContact CG2-CD2 3.91Å
443H56.4Low57.5Low89 Ų89104.7 Ų104.741%0.41252%0.519SS..EExtended strand (participates in β ladder)trans-93.2119.6169.5-69.9-89.7000109.3R441 C475 T476R441-H443 PolarHBondContact O-N 3.41Å; H443-C475 WeakPolarHBondContact O-CA 3.45Å; H443-T476 WeakPolarHBondContact CB-OG1 3.32Å; H443-T476 PolarHBondContact N-O 3.46Å; H443-T476 PolarHBondContact O-N 2.8Å
444F55.5Low56.3Low146 Ų146103.5 Ų103.564%0.6453%0.529SS*.EExtended strand (participates in β ladder)trans-93.1118.1170.7-64.3-88.1000109.1V442 I473V442-F444 HydrophobicContact CB-CE2 4.12Å; V442-F444 HydrophobicContact CG1-CD2 3.99Å; V442-F444 HydrophobicContact CG1-CE1 4.15Å; V442-F444 HydrophobicContact CG1-CE2 3.51Å; V442-F444 HydrophobicContact CG1-CZ 3.6Å; F444-I473 HydrophobicContact CD1-CG2 3.74Å
445H55.4Low55.1Low85 Ų85104.2 Ų104.239%0.39454%0.537SS..EExtended strand (participates in β ladder)trans-103118.5170.3-52.6-95000108I447 I473 Y474 T476H445-I447 HydrophobicContact CB-CG1 4.32Å; H445-I473 WeakPolarHBondContact O-CA 3.35Å; H445-Y474 PolarHBondContact N-O 3.03Å; H445-Y474 PolarHBondContact O-N 2.73Å; H445-T476 PolarHBondContact NE2-OG1 3.03Å
446I57.9Low53.9Low95 Ų95100.5 Ų100.549%0.48753%0.534SS..EExtended strand (participates in β ladder)trans-92.4105.7171.7-55.8178.2000106.7F460I446-F460 HydrophobicContact CD1-CE2 4.04Å; I446-F460 HydrophobicContact CD1-CZ 3.71Å; I446-F460 HydrophobicContact CG2-CZ 4.15Å
447I58Low53.2Low93 Ų9397.6 Ų97.648%0.47754%0.537SS..EExtended strand (participates in β ladder)trans-100.4121.8-179.8-56.3174.7000107.8H445 S471 Y472H445-I447 HydrophobicContact CB-CG1 4.32Å; I447-S471 CarbonylContact O-C 3.49Å; I447-S471 VanDerWaalsContact O-CA 3.26Å; I447-S471 WeakPolarHBondContact O-CA 3.31Å; I447-Y472 PolarHBondContact N-O 3.12Å; I447-Y472 PolarHBondContact O-N 3.09Å
448N57.4Low52.5Low27 Ų2795.2 Ų95.214%0.14454%0.537CS..EExtended strand (participates in β ladder)trans-93.8115.4175.6-178.12.4000109.7S450 S451 L469N448-S450 PolarHBondContact O-N 2.73Å; N448-S450 PolarHBondContact OD1-N 2.98Å; N448-S450 PolarHBondContact OD1-OG 3.49Å; N448-S451 PolarHBondContact O-N 2.65Å; N448-L469 WeakPolarHBondContact ND2-CD2 3.47Å; N448-L469 WeakPolarHBondContact OD1-CD2 3.5Å
449E54Low52.1Low106 Ų10690.8 Ų90.850%0.49551%0.508SS..THydrogen-bonded Turntrans-60.7-25.3-179.2-76.8-162132.400114R470 Y472E449-R470 HydrophobicContact CB-CB 4.22Å; E449-R470 HydrophobicContact CG-CB 4.15Å; E449-R470 PolarHBondContact N-O 2.93Å; E449-R470 WeakPolarHBondContact OE2-CB 3.06Å; E449-R470 WeakPolarHBondContact OE2-CD 3.45Å; E449-R470 IonicContact OE2-NH1 3.8Å; E449-Y472 HydrophobicContact CG-CD2 3.91Å; E449-Y472 HydrophobicContact CG-CE2 3.66Å; E449-Y472 VanDerWaalsContact OE1-CE2 3.31Å; E449-Y472 WeakPolarHBondContact OE1-CE2 3.23Å
450S54.8Low51.7Low69 Ų6992.5 Ų92.548%0.48351%0.513SS..THydrogen-bonded Turntrans-94.613.5-171.259.60000114.6N448N448-S450 PolarHBondContact O-N 2.73Å; N448-S450 PolarHBondContact OD1-N 2.98Å; N448-S450 PolarHBondContact OD1-OG 3.49Å
451S52.2Low51.4Low29 Ų2994 Ų9420%0.20353%0.525CS..  trans-121.5107.7-177.3-176.70000111.1N448 T453N448-S451 PolarHBondContact O-N 2.65Å; S451-T453 PolarHBondContact O-N 3.49Å; S451-T453 VanDerWaalsContact O-N 3.16Å; S451-T453 PolarHBondContact OG-N 2.83Å; S451-T453 PolarHBondContact OG-O 2.91Å; S451-T453 PolarHBondContact OG-OG1 2.64Å
452D54.2Low51Low184 Ų18492.2 Ų92.298%0.98453%0.527SS*.SBendtrans-67.6-3.2164.4-71.2-30.4000112
453T46.6Very low50.5Low95 Ų9591.5 Ų91.558%0.58352%0.52SS*.SBendtrans-104.6131.3176.137.60000111.9S451 L455S451-T453 PolarHBondContact O-N 3.49Å; S451-T453 VanDerWaalsContact O-N 3.16Å; S451-T453 PolarHBondContact OG-N 2.83Å; S451-T453 PolarHBondContact OG-O 2.91Å; S451-T453 PolarHBondContact OG-OG1 2.64Å; T453-L455 PolarHBondContact O-N 2.82Å; T453-L455 VanDerWaalsContact O-N 3.15Å
454S49.2Very low50Low119 Ų11990.3 Ų90.383%0.83252%0.522SS*.  trans-64110.4163.4165.60000108.7
455L46.6Very low49.8Very low75 Ų7591.7 Ų91.739%0.39353%0.534SS..  trans-95.9122.8172.1-67.5173.5000108T453 L463T453-L455 PolarHBondContact O-N 2.82Å; T453-L455 VanDerWaalsContact O-N 3.15Å; L455-L463 HydrophobicContact CD1-CD2 4.04Å
456P40.8Very low49.7Very low84 Ų8492.1 Ų92.155%0.54555%0.547SS..  trans-58.2147.6170.8-5.714.2000109.6S458 T459P456-S458 PolarHBondContact O-N 3.5Å; P456-T459 PolarHBondContact O-N 3.06Å; P456-T459 PolarHBondContact O-OG1 3.44Å; P456-T459 VanDerWaalsContact O-OG1 3.1Å
457A45.9Very low49.3Very low100 Ų10093.2 Ų93.283%0.82655%0.55SS*.THydrogen-bonded Turntrans-54.7-5.6-175.400000115.9
458S40.7Very low48.8Very low99 Ų99100.4 Ų100.469%0.69257%0.571SS**THydrogen-bonded Turntrans-96-1.4-17956.10000115.8P456P456-S458 PolarHBondContact O-N 3.5Å
459T45.1Very low48.4Very low33 Ų33102.1 Ų102.120%0.20258%0.58CS.*  trans-109.942.4-17641.90000114.6P456 S461 D462P456-T459 PolarHBondContact O-N 3.06Å; P456-T459 PolarHBondContact O-OG1 3.44Å; P456-T459 VanDerWaalsContact O-OG1 3.1Å; T459-S461 PolarHBondContact O-N 3.09Å; T459-D462 WeakPolarHBondContact CG2-OD2 3.37Å; T459-D462 PolarHBondContact O-N 3.1Å
460F47.8Very low48.2Very low126 Ų126104.9 Ų104.955%0.55359%0.586SS**G310 helixtrans-60.9-22.6165.5-87.3-82.5000113I446 D462I446-F460 HydrophobicContact CD1-CE2 4.04Å; I446-F460 HydrophobicContact CD1-CZ 3.71Å; I446-F460 HydrophobicContact CG2-CZ 4.15Å; F460-D462 VanDerWaalsContact C-N 3.28Å; F460-D462 PolarHBondContact O-N 3.24Å
461S48.8Very low48.3Very low96 Ų96104 Ų10467%0.67158%0.58SS**G310 helixtrans-66.4-23.8-179.551.80000114.8T459T459-S461 PolarHBondContact O-N 3.09Å
462D47.4Very low48.5Very low118 Ų118108.9 Ų108.963%0.63160%0.595SS**G310 helixtrans-97.20.6-168.7-56-15.6000112.3T459 F460T459-D462 WeakPolarHBondContact CG2-OD2 3.37Å; T459-D462 PolarHBondContact O-N 3.1Å; F460-D462 VanDerWaalsContact C-N 3.28Å; F460-D462 PolarHBondContact O-N 3.24Å
463L46.4Very low48.6Very low53 Ų53105.8 Ų105.828%0.27758%0.576SS.*SBendtrans-92.2123.7-179.5-65.6170.5000110.6L455 I465 L469L455-L463 HydrophobicContact CD1-CD2 4.04Å; L463-I465 PolarHBondContact O-N 3.13Å; L463-L469 HydrophobicContact CB-CD1 4.32Å; L463-L469 HydrophobicContact CD1-CD1 3.85Å; L463-L469 HydrophobicContact CD1-CD2 4.04Å; L463-L469 HydrophobicContact CD2-CD2 4.26Å
464S44.4Very low48.9Very low64 Ų64108 Ų10845%0.44858%0.575SS.*  trans-62.1127.7171.8177.60000110.8S466 H467S464-S466 PolarHBondContact O-N 3.43Å; S464-S466 PolarHBondContact OG-N 3.28Å; S464-S466 PolarHBondContact OG-OG 2.95Å; S464-H467 PolarHBondContact O-N 3.45Å
465I52.2Low48.8Very low176 Ų176105.8 Ų105.890%0.90356%0.559SS**THydrogen-bonded Turntrans-54.1-23174.1-79.2170.8000112.7L463 H467L463-I465 PolarHBondContact O-N 3.13Å; I465-H467 VanDerWaalsContact C-N 3.33Å; I465-H467 PolarHBondContact O-N 3.13Å
466S53.2Low49.5Very low94 Ų94104.3 Ų104.366%0.65755%0.553SS**THydrogen-bonded Turntrans-75.1-17.1179.863.20000114.5S464 R468S464-S466 PolarHBondContact O-N 3.43Å; S464-S466 PolarHBondContact OG-N 3.28Å; S464-S466 PolarHBondContact OG-OG 2.95Å; S466-R468 PolarHBondContact O-N 3.17Å
467H49.4Very low50Low117 Ų117105.5 Ų105.554%0.54255%0.554SS.*SBendtrans-78.1123.1175.9-82.3-126.8000109.1S464 I465 L469S464-H467 PolarHBondContact O-N 3.45Å; I465-H467 VanDerWaalsContact C-N 3.33Å; I465-H467 PolarHBondContact O-N 3.13Å; H467-L469 PolarHBondContact O-N 3.2Å
468R47.2Very low50.5Low244 Ų244102 Ų10292%0.92153%0.526SS*.  trans-63.988.9163-73.6-173.5-176.4-173.21.4107.6S466 R470S466-R468 PolarHBondContact O-N 3.17Å; R468-R470 PolarHBondContact O-N 3.36Å
469L48.9Very low50.9Low64 Ų64110.1 Ų110.134%0.33555%0.553SS.*  trans-66101.5170.8-66.2169.9000107.3N448 L463 H467 S471N448-L469 WeakPolarHBondContact ND2-CD2 3.47Å; N448-L469 WeakPolarHBondContact OD1-CD2 3.5Å; L463-L469 HydrophobicContact CB-CD1 4.32Å; L463-L469 HydrophobicContact CD1-CD1 3.85Å; L463-L469 HydrophobicContact CD1-CD2 4.04Å; L463-L469 HydrophobicContact CD2-CD2 4.26Å; H467-L469 PolarHBondContact O-N 3.2Å; L469-S471 PolarHBondContact O-N 2.92Å; L469-S471 VanDerWaalsContact O-N 3.14Å
470R49.9Very low51.2Low164 Ų164114 Ų11462%0.61957%0.57SS**  trans-76.590.8155.7-77.2-174.8177.7-175.71.8106.2E449 R468E449-R470 HydrophobicContact CB-CB 4.22Å; E449-R470 HydrophobicContact CG-CB 4.15Å; E449-R470 PolarHBondContact N-O 2.93Å; E449-R470 WeakPolarHBondContact OE2-CB 3.06Å; E449-R470 WeakPolarHBondContact OE2-CD 3.45Å; E449-R470 IonicContact OE2-NH1 3.8Å; R468-R470 PolarHBondContact O-N 3.36Å
471S57.9Low51.3Low51 Ų51113.3 Ų113.336%0.35757%0.571SS.*EExtended strand (participates in β ladder)trans-91.8127.6168.6-59.90000108.4I447 L469I447-S471 CarbonylContact O-C 3.49Å; I447-S471 VanDerWaalsContact O-CA 3.26Å; I447-S471 WeakPolarHBondContact O-CA 3.31Å; L469-S471 PolarHBondContact O-N 2.92Å; L469-S471 VanDerWaalsContact O-N 3.14Å
472Y56.9Low51.5Low131 Ų131114.3 Ų114.351%0.51457%0.565SS.*EExtended strand (participates in β ladder)trans-99.5136.2163.1-64.5-78.2000108.9I447 E449I447-Y472 PolarHBondContact N-O 3.12Å; I447-Y472 PolarHBondContact O-N 3.09Å; E449-Y472 HydrophobicContact CG-CD2 3.91Å; E449-Y472 HydrophobicContact CG-CE2 3.66Å; E449-Y472 VanDerWaalsContact OE1-CE2 3.31Å; E449-Y472 WeakPolarHBondContact OE1-CE2 3.23Å
473I54.7Low51.7Low118 Ų118114.1 Ų114.161%0.60556%0.561SS**EExtended strand (participates in β ladder)trans-90.3110.3169.3-58.9175.9000106.2F444 H445F444-I473 HydrophobicContact CD1-CG2 3.74Å; H445-I473 WeakPolarHBondContact O-CA 3.35Å
474Y53.2Low52Low142 Ų142117.9 Ų117.956%0.55758%0.579SS**EExtended strand (participates in β ladder)trans-93.2128.7169.7-163.2-106.3000108.8H445 T476H445-Y474 PolarHBondContact N-O 3.03Å; H445-Y474 PolarHBondContact O-N 2.73Å; Y474-T476 HydrophobicContact CD1-CG2 3.53Å; Y474-T476 HydrophobicContact CE1-CG2 3.25Å
475C48.6Very low52.6Low73 Ų73121.5 Ų121.549%0.49359%0.588SS.*EExtended strand (participates in β ladder)trans-107.9117.1-179.7178.50000108V442 H443V442-C475 WeakPolarHBondContact CG1-SG 3.47Å; H443-C475 WeakPolarHBondContact O-CA 3.45Å
476T59.4Low52.6Low43 Ų43117.6 Ų117.626%0.26457%0.566SS.*EExtended strand (participates in β ladder)trans-114.7137.9170.655.80000109.9H443 H445 Y474H443-T476 WeakPolarHBondContact CB-OG1 3.32Å; H443-T476 PolarHBondContact N-O 3.46Å; H443-T476 PolarHBondContact O-N 2.8Å; H445-T476 PolarHBondContact NE2-OG1 3.03Å; Y474-T476 HydrophobicContact CD1-CG2 3.53Å; Y474-T476 HydrophobicContact CE1-CG2 3.25Å
477L52.5Low52.5Low109 Ų109119.4 Ų119.457%0.57156%0.558SS**EExtended strand (participates in β ladder)trans-75.5133.8163.8-64.7179.2000108.1P440 R441 V442 E479P440-L477 HydrophobicContact CB-CB 3.99Å; P440-L477 HydrophobicContact CB-CD1 4.44Å; P440-L477 HydrophobicContact CB-CD2 4.02Å; P440-L477 HydrophobicContact CB-CG 4.36Å; P440-L477 HydrophobicContact CG-CD1 4.11Å; P440-L477 HydrophobicContact CG-CD2 3.92Å; P440-L477 HydrophobicContact CG-CG 4.4Å; R441-L477 CarbonylContact O-C 3.55Å; V442-L477 HydrophobicContact CG2-CD2 3.91Å; L477-E479 PolarHBondContact O-N 3.22Å
478A56.1Low52.8Low28 Ų28119.6 Ų119.623%0.23156%0.56CS.*  trans-59.3133.316300000107.8R441R441-A478 HydrophobicContact CB-CB 3.84Å; R441-A478 PolarHBondContact O-N 3.01Å
479E48.4Very low53.3Low268 Ų268108.3 Ų108.3100%1.25253%0.527SS*.  trans-55.50174.8-72.1-174.9168.200112.6L477L477-E479 PolarHBondContact O-N 3.22Å

Retrieved 479 of 479 residues in 564.8 ms (Link to these results)

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