A0A077YWS0_TRITR Loading...

PDZ domain containing protein

AlphaFold DB , UniProt , Accession A0A077YWS0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 322 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
1M36.5Very low55.7Low241 Ų241107.1 Ų107.1100%1.18767%0.668SS**  099.70-70.2-75.9-153.200106.6S3M1-S3 PolarHBondContact O-N 2.82Å
2L33.3Very low58.3Low185 Ų18599.8 Ų99.897%0.96962%0.623SS**  trans-76.9106.4174-73.2158.6000106.6S4L2-S4 PolarHBondContact O-N 2.85Å
3S38.1Very low60.7Low118 Ų11898.8 Ų98.883%0.82560%0.6SS**  trans-68.5114.317057.90000107.5M1M1-S3 PolarHBondContact O-N 2.82Å
4S39.5Very low62.6Low82 Ų8295.5 Ų95.557%0.57358%0.577SS**  trans-65.8140.2173.367.30000108.8L2 A6 D7L2-S4 PolarHBondContact O-N 2.85Å; S4-A6 PolarHBondContact O-N 3.26Å; S4-D7 PolarHBondContact O-N 3.35Å
5A49Very low64.4Low96 Ų9689.3 Ų89.379%0.79354%0.539SS*.G310 helixtrans-56.1-14.9174.600000113.1D7 A8A5-D7 PolarHBondContact O-N 2.72Å; A5-A8 PolarHBondContact O-N 3.44Å
6A52Low66.1Low94 Ų9487.7 Ų87.778%0.77753%0.527SS*.G310 helixtrans-68.3-10.8-179.900000115.1S4S4-A6 PolarHBondContact O-N 3.26Å
7D64.2Low67.6Low82 Ų8282.5 Ų82.544%0.43950%0.496SS..G310 helixtrans-110.915.8177.2-153.933.5000114.1S4 A5 R103S4-D7 PolarHBondContact O-N 3.35Å; A5-D7 PolarHBondContact O-N 2.72Å; D7-R103 IonicContact OD1-CZ 2.77Å; D7-R103 IonicContact OD1-NH2 3.83Å; D7-R103 PolarHBondContact OD1-NH2 2.82Å; D7-R103 IonicContact OD2-CZ 3.65Å; D7-R103 IonicContact OD2-NH1 3.65Å; D7-R103 PolarHBondContact OD2-NH1 3.15Å; D7-R103 IonicContact OD2-NH2 3.69Å; D7-R103 PolarHBondContact OD2-NH2 2.93Å
8A68.5Low68.6Low64 Ų6483.7 Ų83.753%0.52950%0.497SS..SBendtrans-66.4140.8173.400000110.7A5A5-A8 PolarHBondContact O-N 3.44Å
9P73.7Confident69.4Low62 Ų6280.7 Ų80.740%0.40348%0.478SS..PPolyproline II helixtrans-62.212817724.1-31.5000109.8L11 W99P9-L11 PolarHBondContact O-N 3.36Å; P9-W99 HydrophobicContact CB-CE3 4.37Å; P9-W99 HydrophobicContact CB-CH2 3.58Å; P9-W99 HydrophobicContact CB-CZ2 4.23Å; P9-W99 HydrophobicContact CB-CZ3 3.66Å
10P77.5Confident70.1Confident34 Ų3480.9 Ų80.922%0.22149%0.488CS..PPolyproline II helixtrans-61.1133.5177.113.5-17.1000109.9I92 G96 W99 Y100P10-I92 HydrophobicContact CB-CD1 4.45Å; P10-G96 VanDerWaalsContact CG-CA 3.42Å; P10-W99 HydrophobicContact CG-CB 3.63Å; P10-W99 HydrophobicContact CG-CD2 4.09Å; P10-W99 HydrophobicContact CG-CE3 4.36Å; P10-W99 HydrophobicContact CG-CG 3.78Å; P10-Y100 HydrophobicContact CG-CD2 4.41Å; P10-Y100 HydrophobicContact CG-CE2 4.02Å; P10-Y100 WeakPolarHBondContact O-CE2 3.39Å; P10-Y100 VanDerWaalsContact O-CZ 3.32Å; P10-Y100 PolarHBondContact O-OH 3.26Å
11L81Confident71Confident120 Ų12083.4 Ų83.463%0.62849%0.49SS*.PPolyproline II helixtrans-87.2130.3-176.3-69.8171.7000110.3P9P9-L11 PolarHBondContact O-N 3.36Å
12P86.4Confident73.3Confident20 Ų2074.2 Ų74.213%0.1345%0.453CS..PPolyproline II helixtrans-68.5148.6170.527-29.3000110.5T90 V91 I92 V107 P108P12-T90 HydrophobicContact CB-CG2 3.92Å; P12-T90 HydrophobicContact CG-CG2 4.43Å; P12-V91 CarbonylContact C-O 3.57Å; P12-V91 VanDerWaalsContact CA-O 3.23Å; P12-V91 WeakPolarHBondContact CA-O 3.42Å; P12-V91 WeakPolarHBondContact CB-O 3.35Å; P12-I92 HydrophobicContact CB-CB 4.47Å; P12-V107 HydrophobicContact CB-CG1 3.79Å; P12-V107 HydrophobicContact CG-CG1 3.86Å; P12-P108 HydrophobicContact CG-CG 3.89Å; P12-P108 VanDerWaalsContact CG-O 3.25Å; P12-P108 WeakPolarHBondContact CG-O 3.34Å
13R89.7Confident75.9Confident86 Ų8672.9 Ų72.933%0.32544%0.441SS..EExtended strand (participates in β ladder)trans-96.4139.1177.6-59.7-175.4-67.4118.9-2.6109.8G53 D58 T90 V91R13-G53 PolarHBondContact NH1-O 2.77Å; R13-D58 IonicContact CZ-OD1 3.19Å; R13-D58 IonicContact CZ-OD2 3.15Å; R13-D58 IonicContact NH2-OD1 3.73Å; R13-D58 PolarHBondContact NH2-OD1 2.83Å; R13-D58 IonicContact NH2-OD2 2.73Å; R13-D58 PolarHBondContact NH2-OD2 2.73Å; R13-T90 WeakPolarHBondContact O-CA 3.49Å; R13-V91 HydrophobicContact CB-CG2 4Å; R13-V91 PolarHBondContact N-O 2.96Å; R13-V91 PolarHBondContact O-N 2.89Å
14L87.6Confident78.4Confident53 Ų5369.2 Ų69.228%0.27741%0.411SS..EExtended strand (participates in β ladder)trans-97.9108.5170.3-178.172.5000108.9R88 V111L14-R88 HydrophobicContact CD1-CB 4.35Å; L14-V111 HydrophobicContact CB-CB 3.98Å; L14-V111 HydrophobicContact CB-CG1 3.94Å; L14-V111 HydrophobicContact CB-CG2 4.07Å; L14-V111 HydrophobicContact CD1-CB 4.3Å; L14-V111 HydrophobicContact CD2-CB 3.92Å; L14-V111 HydrophobicContact CD2-CG1 3.83Å; L14-V111 HydrophobicContact CG-CB 4.27Å; L14-V111 HydrophobicContact CG-CG1 4.43Å
15C89.7Confident81Confident2 Ų272.9 Ų72.91%0.01442%0.419CS..EExtended strand (participates in β ladder)trans-93.2118.1173.6-63.50000109L17 A52 L54 L89C15-L17 HydrophobicContact CB-CD1 4.38Å; C15-A52 WeakPolarHBondContact CA-O 3.24Å; C15-A52 HydrophobicContact CB-CB 4.08Å; C15-A52 VanDerWaalsContact CB-O 3.26Å; C15-A52 WeakPolarHBondContact CB-O 3.19Å; C15-A52 PolarHBondContact SG-O 3.05Å; C15-L54 HydrophobicContact CB-CD1 4.2Å; C15-L89 HydrophobicContact CB-CB 4.36Å; C15-L89 PolarHBondContact N-O 2.96Å; C15-L89 PolarHBondContact O-N 3.07Å
16L90.7Very high83.2Confident64 Ų6469 Ų6934%0.33538%0.384SS..EExtended strand (participates in β ladder)trans-100.4101.5175.4178.362.8000110.5I18 A52 K86 R88L16-I18 HydrophobicContact CD2-CD1 3.96Å; L16-I18 HydrophobicContact CD2-CG1 4.37Å; L16-I18 HydrophobicContact CG-CD1 4.15Å; L16-I18 HydrophobicContact CG-CG1 4.02Å; L16-A52 VanDerWaalsContact O-CB 3.29Å; L16-A52 WeakPolarHBondContact O-CB 3.43Å; L16-K86 HydrophobicContact CD1-CD 4.05Å; L16-K86 HydrophobicContact CD1-CG 3.73Å; L16-R88 HydrophobicContact CD1-CG 3.53Å
17L91.8Very high85.2Confident0 Ų064.9 Ų64.90%035%0.35CS..EExtended strand (participates in β ladder)trans-85.6125.1179.9-56.389.4000109.7C15 Y26 F28 A49 A52 K86 C87 L89C15-L17 HydrophobicContact CB-CD1 4.38Å; L17-Y26 HydrophobicContact CB-CD1 3.44Å; L17-Y26 VanDerWaalsContact CB-CD1 3.44Å; L17-Y26 HydrophobicContact CB-CE1 3.52Å; L17-Y26 HydrophobicContact CB-CG 4.27Å; L17-Y26 HydrophobicContact CD2-CD1 3.82Å; L17-Y26 HydrophobicContact CD2-CG 3.82Å; L17-Y26 HydrophobicContact CG-CD1 4.29Å; L17-F28 HydrophobicContact CD2-CD1 3.93Å; L17-F28 HydrophobicContact CD2-CE1 3.65Å; L17-A49 HydrophobicContact CD2-CB 3.85Å; L17-A52 HydrophobicContact CG-CB 3.93Å; L17-K86 CarbonylContact O-C 3.5Å; L17-K86 VanDerWaalsContact O-CA 3.31Å; L17-K86 WeakPolarHBondContact O-CA 3.48Å; L17-C87 HydrophobicContact CB-CB 4.4Å; L17-C87 HydrophobicContact CD1-CB 4.44Å; L17-C87 WeakPolarHBondContact CD1-O 3.25Å; L17-C87 PolarHBondContact N-O 3.3Å; L17-C87 PolarHBondContact O-N 2.97Å; L17-L89 HydrophobicContact CD1-CB 4.09Å; L17-L89 HydrophobicContact CD1-CD1 3.69Å; L17-L89 HydrophobicContact CD1-CG 3.56Å; L17-L89 HydrophobicContact CD2-CD1 4.43Å
18I84.8Confident86.8Confident103 Ų10362.6 Ų62.653%0.52834%0.336SS..EExtended strand (participates in β ladder)trans-128.5125.7179.7-55.5178.1000108.9L16 P48 L85L16-I18 HydrophobicContact CD2-CD1 3.96Å; L16-I18 HydrophobicContact CD2-CG1 4.37Å; L16-I18 HydrophobicContact CG-CD1 4.15Å; L16-I18 HydrophobicContact CG-CG1 4.02Å; I18-P48 WeakPolarHBondContact O-CB 3.39Å; I18-L85 CarbonylContact C-O 3.49Å; I18-L85 WeakPolarHBondContact CA-O 3.26Å
19K85.4Confident88Confident28 Ų2863.4 Ų63.412%0.12233%0.332CS..  trans-96.4149.3173.8-56.4-165.8-118156.10111A22 E24 Y26 P48 P84 L85K19-A22 PolarHBondContact NZ-O 3.5Å; K19-E24 WeakPolarHBondContact CA-OE2 3.35Å; K19-E24 HydrophobicContact CB-CB 4.2Å; K19-E24 HydrophobicContact CD-CB 4.03Å; K19-E24 WeakPolarHBondContact CD-O 3.26Å; K19-E24 WeakPolarHBondContact CE-O 3.3Å; K19-E24 HydrophobicContact CG-CB 4.45Å; K19-E24 PolarHBondContact NZ-O 3.22Å; K19-Y26 HydrophobicContact CD-CD1 3.97Å; K19-Y26 HydrophobicContact CD-CE1 3.89Å; K19-Y26 HydrophobicContact CD-CG 4.41Å; K19-Y26 VanDerWaalsContact CE-CE1 3.42Å; K19-Y26 HydrophobicContact CG-CD1 3.63Å; K19-Y26 HydrophobicContact CG-CE1 3.46Å; K19-Y26 VanDerWaalsContact CG-CE1 3.46Å; K19-P48 HydrophobicContact CG-CG 4.25Å; K19-P84 WeakPolarHBondContact CE-O 3.43Å; K19-P84 PolarHBondContact NZ-O 3.25Å; K19-L85 HydrophobicContact CB-CD2 4.37Å; K19-L85 PolarHBondContact N-O 2.78Å
20A82.4Confident89Confident84 Ų8462 Ų6269%0.69432%0.321SS*.SBendtrans-75.2-32.4174.100000112E24A20-E24 PolarHBondContact N-OE2 3.16Å
21Y88.8Confident89.7Confident134 Ų13464.3 Ų64.353%0.52533%0.329SS..SBendtrans-150.3159.417946.1-91.2000110.8E23 E24 L85Y21-E23 VanDerWaalsContact C-N 3.28Å; Y21-E23 HydrophobicContact CD2-CB 4.18Å; Y21-E23 PolarHBondContact O-N 3.45Å; Y21-E24 HydrophobicContact CD2-CB 3.91Å; Y21-E24 HydrophobicContact CE2-CB 3.69Å; Y21-E24 HydrophobicContact CE2-CG 4.39Å; Y21-E24 WeakPolarHBondContact O-CB 3.43Å; Y21-E24 PolarHBondContact O-N 3.42Å; Y21-E24 VanDerWaalsContact O-N 3.16Å; Y21-L85 VanDerWaalsContact C-CD2 3.47Å
22A84.3Confident90.1Very high48 Ų4861.2 Ų61.240%0.39732%0.32SS..THydrogen-bonded Turntrans-65.6-30-167.600000113.5K19 E24 P84 L85K19-A22 PolarHBondContact NZ-O 3.5Å; A22-E24 VanDerWaalsContact C-N 3.3Å; A22-P84 HydrophobicContact CB-CB 4.11Å; A22-L85 HydrophobicContact CB-CD2 4.44Å
23E88.8Confident89.9Confident156 Ų15664 Ų6473%0.72933%0.332SS*.THydrogen-bonded Turntrans-79.4-11.7-179.5-55.175-164.700113.1Y21Y21-E23 VanDerWaalsContact C-N 3.28Å; Y21-E23 HydrophobicContact CD2-CB 4.18Å; Y21-E23 PolarHBondContact O-N 3.45Å
24E91.4Very high89.3Confident42 Ų4264.8 Ų64.820%0.19636%0.356CS..  trans-67.2145.5173.1-162.7-178.1-170.800109.7K19 A20 Y21 A22 P48K19-E24 WeakPolarHBondContact CA-OE2 3.35Å; K19-E24 HydrophobicContact CB-CB 4.2Å; K19-E24 HydrophobicContact CD-CB 4.03Å; K19-E24 WeakPolarHBondContact CD-O 3.26Å; K19-E24 WeakPolarHBondContact CE-O 3.3Å; K19-E24 HydrophobicContact CG-CB 4.45Å; K19-E24 PolarHBondContact NZ-O 3.22Å; A20-E24 PolarHBondContact N-OE2 3.16Å; Y21-E24 HydrophobicContact CD2-CB 3.91Å; Y21-E24 HydrophobicContact CE2-CB 3.69Å; Y21-E24 HydrophobicContact CE2-CG 4.39Å; Y21-E24 WeakPolarHBondContact O-CB 3.43Å; Y21-E24 PolarHBondContact O-N 3.42Å; Y21-E24 VanDerWaalsContact O-N 3.16Å; A22-E24 VanDerWaalsContact C-N 3.3Å; E24-P48 HydrophobicContact CG-CG 4.49Å
25E93.8Very high88.7Confident158 Ų15866 Ų6674%0.73838%0.382SS*.  trans-92.3152168.6-64.2-164.2158.700110.1G27E25-G27 PolarHBondContact O-N 3.23Å
26Y94.8Very high88Confident16 Ų1669.8 Ų69.86%0.06340%0.398CS..  trans-66.7-19.6175.7-71.4-60.1000112.9L17 K19 F28 S47 P48 A49 I80 D83 K86 C87L17-Y26 HydrophobicContact CB-CD1 3.44Å; L17-Y26 VanDerWaalsContact CB-CD1 3.44Å; L17-Y26 HydrophobicContact CB-CE1 3.52Å; L17-Y26 HydrophobicContact CB-CG 4.27Å; L17-Y26 HydrophobicContact CD2-CD1 3.82Å; L17-Y26 HydrophobicContact CD2-CG 3.82Å; L17-Y26 HydrophobicContact CG-CD1 4.29Å; K19-Y26 HydrophobicContact CD-CD1 3.97Å; K19-Y26 HydrophobicContact CD-CE1 3.89Å; K19-Y26 HydrophobicContact CD-CG 4.41Å; K19-Y26 VanDerWaalsContact CE-CE1 3.42Å; K19-Y26 HydrophobicContact CG-CD1 3.63Å; K19-Y26 HydrophobicContact CG-CE1 3.46Å; K19-Y26 VanDerWaalsContact CG-CE1 3.46Å; Y26-F28 VanDerWaalsContact CB-CE1 3.46Å; Y26-F28 HydrophobicContact CD2-CE1 4.15Å; Y26-F28 HydrophobicContact CG-CE1 4.1Å; Y26-S47 WeakPolarHBondContact O-CB 3.47Å; Y26-P48 HydrophobicContact CD1-CB 4.03Å; Y26-P48 WeakPolarHBondContact O-CD 3.42Å; Y26-A49 WeakPolarHBondContact O-CB 3.33Å; Y26-A49 PolarHBondContact O-N 3.02Å; Y26-I80 HydrophobicContact CD2-CG2 4.13Å; Y26-I80 HydrophobicContact CE2-CG2 4.06Å; Y26-D83 PolarHBondContact OH-O 3.02Å; Y26-K86 WeakPolarHBondContact OH-CA 3.22Å; Y26-K86 PolarHBondContact OH-N 3.19Å; Y26-K86 PolarHBondContact OH-O 2.92Å; Y26-C87 HydrophobicContact CE1-CB 4.18Å; Y26-C87 HydrophobicContact CE2-CB 3.85Å; Y26-C87 WeakPolarHBondContact OH-CB 3.26Å; Y26-C87 PolarHBondContact OH-N 3.41Å
27G95Very high87.7Confident6 Ų668.6 Ų68.66%0.06240%0.401CS..  trans73.451.2177.900000113.9E25 D44 S47E25-G27 PolarHBondContact O-N 3.23Å; G27-D44 VanDerWaalsContact CA-OD2 3.26Å; G27-D44 WeakPolarHBondContact CA-OD2 3.48Å; G27-D44 PolarHBondContact O-N 3.38Å; G27-S47 PolarHBondContact O-OG 3.19Å
28F96.2Very high87.8Confident34 Ų3469.4 Ų69.415%0.14941%0.405CS..EExtended strand (participates in β ladder)trans-147.7155.4169.770.4-87.2000111.3L17 Y26 L30 I40 G42 V43 A49 L54 I80 L89L17-F28 HydrophobicContact CD2-CD1 3.93Å; L17-F28 HydrophobicContact CD2-CE1 3.65Å; Y26-F28 VanDerWaalsContact CB-CE1 3.46Å; Y26-F28 HydrophobicContact CD2-CE1 4.15Å; Y26-F28 HydrophobicContact CG-CE1 4.1Å; F28-L30 HydrophobicContact CE2-CB 4.15Å; F28-I40 HydrophobicContact CB-CG2 4.46Å; F28-I40 HydrophobicContact CD2-CD1 3.68Å; F28-I40 HydrophobicContact CE2-CD1 3.95Å; F28-G42 CarbonylContact C-O 3.56Å; F28-G42 VanDerWaalsContact CA-O 3.25Å; F28-G42 WeakPolarHBondContact CA-O 3.29Å; F28-G42 WeakPolarHBondContact CB-O 3.44Å; F28-V43 HydrophobicContact CB-CG2 4.31Å; F28-A49 HydrophobicContact CB-CB 3.9Å; F28-A49 HydrophobicContact CD1-CB 3.79Å; F28-A49 HydrophobicContact CG-CB 4.26Å; F28-L54 HydrophobicContact CB-CD2 3.9Å; F28-L54 HydrophobicContact CD1-CD2 4.03Å; F28-L54 HydrophobicContact CD2-CD2 4.12Å; F28-L54 HydrophobicContact CG-CD2 3.75Å; F28-I80 HydrophobicContact CZ-CD1 4.27Å; F28-I80 HydrophobicContact CZ-CG2 4.21Å; F28-L89 HydrophobicContact CZ-CD1 4.13Å
29N94.1Very high88.2Confident82 Ų8266.6 Ų66.644%0.43939%0.388SS..EExtended strand (participates in β ladder)trans-97.3122174.3-60.179.1000110I40 G41 G42N29-I40 WeakPolarHBondContact O-CA 3.44Å; N29-G41 PolarHBondContact O-N 3.05Å; N29-G42 PolarHBondContact N-O 3.31Å
30L95.1Very high88.6Confident32 Ų3265.2 Ų65.217%0.16838%0.382CS..EExtended strand (participates in β ladder)trans-90.8120.5170.4-17565000110.1F28 Q38 I60 V76 V77 I80F28-L30 HydrophobicContact CE2-CB 4.15Å; L30-Q38 HydrophobicContact CD1-CB 4.21Å; L30-I60 HydrophobicContact CD1-CD1 3.41Å; L30-I60 VanDerWaalsContact CD1-CD1 3.41Å; L30-I60 HydrophobicContact CD1-CG1 4.48Å; L30-V76 HydrophobicContact CD2-CG1 3.99Å; L30-V77 HydrophobicContact CD2-CG2 3.77Å; L30-I80 HydrophobicContact CD2-CD1 3.97Å
31H91.2Very high89Confident83 Ų8362 Ų6238%0.38436%0.357SS..EExtended strand (participates in β ladder)trans-108.4146.6173.7-79.6-140.8000110.5Q38 Y39H31-Q38 WeakPolarHBondContact O-CA 3.3Å; H31-Y39 HydrophobicContact CB-CD1 3.99Å; H31-Y39 HydrophobicContact CB-CD2 3.99Å; H31-Y39 HydrophobicContact CB-CE1 3.54Å; H31-Y39 HydrophobicContact CB-CE2 3.51Å; H31-Y39 HydrophobicContact CB-CG 4.21Å; H31-Y39 AromaticContact CG-CE2 3.98Å; H31-Y39 AromaticContact CG-CZ 3.92Å; H31-Y39 PolarHBondContact N-O 2.99Å; H31-Y39 AromaticContact ND1-CZ 3.86Å; H31-Y39 PolarHBondContact ND1-OH 2.87Å; H31-Y39 PolarHBondContact O-N 3.3Å
32A89.9Confident89Confident54 Ų5456.4 Ų56.445%0.44634%0.34SS..EExtended strand (participates in β ladder)trans-125.7124.3168.800000109H73A32-H73 HydrophobicContact CB-CB 4.01Å
33E83.1Confident89.3Confident80 Ų8055.9 Ų55.937%0.37433%0.332SS..EExtended strand (participates in β ladder)trans-125.3137.2175-173-177.2160.100109.5G35 K36 G37 Y39E33-G35 PolarHBondContact O-N 3.34Å; E33-K36 HydrophobicContact CB-CB 4.28Å; E33-K36 HydrophobicContact CG-CD 4.47Å; E33-K36 PolarHBondContact O-N 3.2Å; E33-K36 WeakPolarHBondContact OE1-CE 3.23Å; E33-K36 IonicContact OE1-NZ 3.41Å; E33-K36 PolarHBondContact OE1-NZ 2.76Å; E33-K36 WeakPolarHBondContact OE2-CD 3.5Å; E33-K36 IonicContact OE2-NZ 2.95Å; E33-K36 PolarHBondContact OE2-NZ 3.07Å; E33-G37 PolarHBondContact N-O 2.85Å; E33-G37 PolarHBondContact O-N 3.09Å; E33-Y39 HydrophobicContact CB-CE1 3.92Å
34A76Confident89.3Confident101 Ų10152.3 Ų52.384%0.83532%0.318SS*.THydrogen-bonded Turntrans-56.4125.9178.700000110.3K36A34-K36 VanDerWaalsContact C-N 3.29Å; A34-K36 PolarHBondContact O-N 3.2Å
35G74.9Confident88.8Confident79 Ų7956.4 Ų56.481%0.81434%0.335SS*.THydrogen-bonded Turntrans83.7-16-178.800000115.9E33E33-G35 PolarHBondContact O-N 3.34Å
36K74.7Confident88.2Confident82 Ų8251.3 Ų51.336%0.35732%0.32SS..THydrogen-bonded Turntrans-105.7-9177.2-63.6-173.1-168.7152.70114.3E33 A34E33-K36 HydrophobicContact CB-CB 4.28Å; E33-K36 HydrophobicContact CG-CD 4.47Å; E33-K36 PolarHBondContact O-N 3.2Å; E33-K36 WeakPolarHBondContact OE1-CE 3.23Å; E33-K36 IonicContact OE1-NZ 3.41Å; E33-K36 PolarHBondContact OE1-NZ 2.76Å; E33-K36 WeakPolarHBondContact OE2-CD 3.5Å; E33-K36 IonicContact OE2-NZ 2.95Å; E33-K36 PolarHBondContact OE2-NZ 3.07Å; A34-K36 VanDerWaalsContact C-N 3.29Å; A34-K36 PolarHBondContact O-N 3.2Å
37G85.7Confident88Confident39 Ų3951 Ų5140%0.40232%0.32SS..EExtended strand (participates in β ladder)trans72.4-152.3-179.100000112.8E33E33-G37 PolarHBondContact N-O 2.85Å; E33-G37 PolarHBondContact O-N 3.09Å
38Q93.5Very high87.7Confident17 Ų1751 Ų518%0.07932%0.318CS..EExtended strand (participates in β ladder)trans-92.6133-178.7-55.7-65.9-28.800110.5L30 H31 I60 H73 V76L30-Q38 HydrophobicContact CD1-CB 4.21Å; H31-Q38 WeakPolarHBondContact O-CA 3.3Å; Q38-I60 HydrophobicContact CB-CB 4.31Å; Q38-I60 PolarHBondContact O-N 3.24Å; Q38-H73 VanDerWaalsContact NE2-CA 3.29Å; Q38-H73 PolarHBondContact OE1-ND1 3.23Å; Q38-V76 HydrophobicContact CG-CG1 4.27Å; Q38-V76 HydrophobicContact CG-CG2 4.07Å
39Y93.2Very high87.5Confident43 Ų4349.3 Ų49.317%0.16931%0.311CS..EExtended strand (participates in β ladder)trans-148.1162.1179.368.4-86000113.9H31 E33 G41 D58 R59H31-Y39 HydrophobicContact CB-CD1 3.99Å; H31-Y39 HydrophobicContact CB-CD2 3.99Å; H31-Y39 HydrophobicContact CB-CE1 3.54Å; H31-Y39 HydrophobicContact CB-CE2 3.51Å; H31-Y39 HydrophobicContact CB-CG 4.21Å; H31-Y39 AromaticContact CG-CE2 3.98Å; H31-Y39 AromaticContact CG-CZ 3.92Å; H31-Y39 PolarHBondContact N-O 2.99Å; H31-Y39 AromaticContact ND1-CZ 3.86Å; H31-Y39 PolarHBondContact ND1-OH 2.87Å; H31-Y39 PolarHBondContact O-N 3.3Å; E33-Y39 HydrophobicContact CB-CE1 3.92Å; Y39-G41 PolarHBondContact O-N 2.98Å; Y39-D58 CarbonylContact C-O 3.43Å; Y39-D58 WeakPolarHBondContact CA-O 3.46Å; Y39-D58 VanDerWaalsContact CB-O 3.3Å; Y39-D58 WeakPolarHBondContact CB-O 3.46Å; Y39-R59 VanDerWaalsContact CB-NH1 3.26Å; Y39-R59 VanDerWaalsContact CD1-NH1 3.25Å; Y39-R59 VanDerWaalsContact CG-NH1 3.27Å
40I93.9Very high87.2Confident0 Ų047.2 Ų47.20%030%0.299CS..EExtended strand (participates in β ladder)trans-84.4112.7179.3-53.7-53.9000109.6F28 N29 V43 L54 C55 G57 D58 I60F28-I40 HydrophobicContact CB-CG2 4.46Å; F28-I40 HydrophobicContact CD2-CD1 3.68Å; F28-I40 HydrophobicContact CE2-CD1 3.95Å; N29-I40 WeakPolarHBondContact O-CA 3.44Å; I40-V43 HydrophobicContact CG2-CG2 3.53Å; I40-L54 HydrophobicContact CD1-CD1 4.19Å; I40-L54 HydrophobicContact CD1-CD2 3.65Å; I40-L54 HydrophobicContact CD1-CG 4.14Å; I40-L54 HydrophobicContact CG1-CD1 3.91Å; I40-L54 HydrophobicContact CG1-CD2 3.9Å; I40-L54 HydrophobicContact CG1-CG 3.84Å; I40-L54 HydrophobicContact CG2-CD2 4.16Å; I40-L54 HydrophobicContact CG2-CG 4.25Å; I40-C55 WeakPolarHBondContact CB-O 3.2Å; I40-C55 WeakPolarHBondContact CG2-O 3.42Å; I40-G57 PolarHBondContact O-N 3.45Å; I40-D58 HydrophobicContact CB-CB 4.19Å; I40-D58 HydrophobicContact CG1-CB 3.76Å; I40-D58 PolarHBondContact N-O 3.16Å; I40-I60 HydrophobicContact CD1-CD1 3.74Å; I40-I60 HydrophobicContact CD1-CG1 4Å; I40-I60 HydrophobicContact CG1-CG1 4.49Å
41G91.4Very high86.5Confident17 Ų1751.1 Ų51.118%0.17532%0.315CS..EExtended strand (participates in β ladder)trans-79.7-30.7179.200000113.4N29 Y39 Q56N29-G41 PolarHBondContact O-N 3.05Å; Y39-G41 PolarHBondContact O-N 2.98Å; G41-Q56 WeakPolarHBondContact O-CG 3.23Å; G41-Q56 PolarHBondContact O-NE2 2.9Å
42G88.9Confident86.3Confident15 Ų1547.4 Ų47.416%0.15530%0.298CS..EExtended strand (participates in β ladder)trans-169.3157.1-178.500000110.3F28 N29F28-G42 CarbonylContact C-O 3.56Å; F28-G42 VanDerWaalsContact CA-O 3.25Å; F28-G42 WeakPolarHBondContact CA-O 3.29Å; F28-G42 WeakPolarHBondContact CB-O 3.44Å; N29-G42 PolarHBondContact N-O 3.31Å
43V90.2Very high86.1Confident38 Ų3845.5 Ų45.523%0.2328%0.283CS..EExtended strand (participates in β ladder)trans-131.7127.2177.9-179.70000107.3F28 I40 A49 E50 L54F28-V43 HydrophobicContact CB-CG2 4.31Å; I40-V43 HydrophobicContact CG2-CG2 3.53Å; V43-A49 HydrophobicContact CG1-CB 3.9Å; V43-E50 HydrophobicContact CG1-CB 3.83Å; V43-L54 HydrophobicContact CG2-CB 4.32Å; V43-L54 HydrophobicContact CG2-CD2 4.4Å; V43-L54 HydrophobicContact CG2-CG 4.35Å
44D89.2Confident86.4Confident81 Ų8142 Ų4243%0.43327%0.267SS..  trans-76.6143.1-178-65.5-34.7000110.3G27 S47G27-D44 VanDerWaalsContact CA-OD2 3.26Å; G27-D44 WeakPolarHBondContact CA-OD2 3.48Å; G27-D44 PolarHBondContact O-N 3.38Å; D44-S47 WeakPolarHBondContact O-CB 3.26Å; D44-S47 PolarHBondContact O-N 3.45Å; D44-S47 PolarHBondContact O-OG 3.46Å
45F79.4Confident87Confident128 Ų12838.7 Ų38.756%0.56124%0.238SC*.THydrogen-bonded Turntrans-62.8140.4177.6175.7-100.1000112S47F45-S47 PolarHBondContact O-N 3.1Å; F45-S47 VanDerWaalsContact O-N 3.11Å
46A81.6Confident87.7Confident51 Ų5142.2 Ų42.242%0.42123%0.233SC..THydrogen-bonded Turntrans57.516.1-178.700000114.9E50 K51A46-E50 WeakPolarHBondContact CA-OE2 3.38Å; A46-E50 PolarHBondContact N-OE2 2.81Å; A46-K51 VanDerWaalsContact O-CE 3.32Å; A46-K51 WeakPolarHBondContact O-CE 3.35Å; A46-K51 PolarHBondContact O-NZ 3.41Å
47S90Very high88.4Confident10 Ų1039.8 Ų39.87%0.0723%0.232CC..SBendtrans-79.4162-18068.60000112.8Y26 G27 D44 F45 A49 E50 K51Y26-S47 WeakPolarHBondContact O-CB 3.47Å; G27-S47 PolarHBondContact O-OG 3.19Å; D44-S47 WeakPolarHBondContact O-CB 3.26Å; D44-S47 PolarHBondContact O-N 3.45Å; D44-S47 PolarHBondContact O-OG 3.46Å; F45-S47 PolarHBondContact O-N 3.1Å; F45-S47 VanDerWaalsContact O-N 3.11Å; S47-A49 PolarHBondContact O-N 3.21Å; S47-A49 PolarHBondContact OG-N 3.38Å; S47-E50 PolarHBondContact O-N 3.29Å; S47-E50 PolarHBondContact OG-N 2.81Å; S47-E50 VanDerWaalsContact OG-N 3.11Å; S47-K51 VanDerWaalsContact O-CG 3.29Å; S47-K51 WeakPolarHBondContact O-CG 3.46Å; S47-K51 PolarHBondContact O-N 3.03Å
48P89.1Confident88.7Confident4 Ų438.1 Ų38.13%0.02621%0.214CC..Hα-helixtrans-51.7-34.2167.1-30.737.8000114.5I18 K19 E24 Y26 A52I18-P48 WeakPolarHBondContact O-CB 3.39Å; K19-P48 HydrophobicContact CG-CG 4.25Å; E24-P48 HydrophobicContact CG-CG 4.49Å; Y26-P48 HydrophobicContact CD1-CB 4.03Å; Y26-P48 WeakPolarHBondContact O-CD 3.42Å; P48-A52 WeakPolarHBondContact O-CB 3.2Å; P48-A52 PolarHBondContact O-N 2.94Å
49A92.6Very high88.6Confident0 Ų038 Ų380%021%0.212CC..Hα-helixtrans-72-43.2179.300000112.6L17 Y26 F28 V43 S47 K51 A52 G53 L54L17-A49 HydrophobicContact CD2-CB 3.85Å; Y26-A49 WeakPolarHBondContact O-CB 3.33Å; Y26-A49 PolarHBondContact O-N 3.02Å; F28-A49 HydrophobicContact CB-CB 3.9Å; F28-A49 HydrophobicContact CD1-CB 3.79Å; F28-A49 HydrophobicContact CG-CB 4.26Å; V43-A49 HydrophobicContact CG1-CB 3.9Å; S47-A49 PolarHBondContact O-N 3.21Å; S47-A49 PolarHBondContact OG-N 3.38Å; A49-K51 VanDerWaalsContact C-N 3.3Å; A49-K51 PolarHBondContact O-N 2.63Å; A49-A52 PolarHBondContact O-N 3.11Å; A49-G53 PolarHBondContact O-N 3.24Å; A49-L54 HydrophobicContact CB-CB 4.2Å; A49-L54 HydrophobicContact CB-CD2 3.89Å; A49-L54 WeakPolarHBondContact O-CB 3.46Å; A49-L54 PolarHBondContact O-N 2.89Å
50E87.6Confident88.7Confident37 Ų3736.2 Ų36.217%0.17321%0.206CC..Hα-helixtrans-61.4-43.5173.3-171.5-177.8-122.700110.2V43 A46 S47 A52 G53 Y196V43-E50 HydrophobicContact CG1-CB 3.83Å; A46-E50 WeakPolarHBondContact CA-OE2 3.38Å; A46-E50 PolarHBondContact N-OE2 2.81Å; S47-E50 PolarHBondContact O-N 3.29Å; S47-E50 PolarHBondContact OG-N 2.81Å; S47-E50 VanDerWaalsContact OG-N 3.11Å; E50-A52 PolarHBondContact O-N 3.2Å; E50-G53 PolarHBondContact O-N 3.45Å; E50-Y196 HydrophobicContact CG-CD2 4.18Å; E50-Y196 HydrophobicContact CG-CE2 4.25Å; E50-Y196 VanDerWaalsContact O-CE2 3.25Å; E50-Y196 WeakPolarHBondContact O-CE2 3.49Å; E50-Y196 VanDerWaalsContact O-CZ 3.3Å
51K81Confident88.6Confident115 Ų11537.2 Ų37.250%0.521%0.212SC..Hα-helixtrans-62.5-26.6176.7-69.4170-169165.80113.8A46 S47 A49 G53 Y196A46-K51 VanDerWaalsContact O-CE 3.32Å; A46-K51 WeakPolarHBondContact O-CE 3.35Å; A46-K51 PolarHBondContact O-NZ 3.41Å; S47-K51 VanDerWaalsContact O-CG 3.29Å; S47-K51 WeakPolarHBondContact O-CG 3.46Å; S47-K51 PolarHBondContact O-N 3.03Å; A49-K51 VanDerWaalsContact C-N 3.3Å; A49-K51 PolarHBondContact O-N 2.63Å; K51-G53 VanDerWaalsContact C-N 3.27Å; K51-Y196 WeakPolarHBondContact CA-OH 3.17Å; K51-Y196 PolarHBondContact O-OH 3.14Å
52A87.1Confident88.6Confident4 Ų436.4 Ų36.43%0.03320%0.203CC..THydrogen-bonded Turntrans-87.55.7176.300000113C15 L16 L17 P48 A49 E50 L54C15-A52 WeakPolarHBondContact CA-O 3.24Å; C15-A52 HydrophobicContact CB-CB 4.08Å; C15-A52 VanDerWaalsContact CB-O 3.26Å; C15-A52 WeakPolarHBondContact CB-O 3.19Å; C15-A52 PolarHBondContact SG-O 3.05Å; L16-A52 VanDerWaalsContact O-CB 3.29Å; L16-A52 WeakPolarHBondContact O-CB 3.43Å; L17-A52 HydrophobicContact CG-CB 3.93Å; P48-A52 WeakPolarHBondContact O-CB 3.2Å; P48-A52 PolarHBondContact O-N 2.94Å; A49-A52 PolarHBondContact O-N 3.11Å; E50-A52 PolarHBondContact O-N 3.2Å; A52-L54 VanDerWaalsContact C-N 3.33Å; A52-L54 PolarHBondContact O-N 3.41Å
53G85.8Confident88.8Confident14 Ų1435.7 Ų35.714%0.14420%0.196CC..THydrogen-bonded Turntrans75.313.7-178.400000114.9R13 A49 E50 K51 C55R13-G53 PolarHBondContact NH1-O 2.77Å; A49-G53 PolarHBondContact O-N 3.24Å; E50-G53 PolarHBondContact O-N 3.45Å; K51-G53 VanDerWaalsContact C-N 3.27Å; G53-C55 PolarHBondContact O-SG 3.22Å
54L89.7Confident88.7Confident6 Ų636.2 Ų36.23%0.03120%0.197CC..  trans-66.3136.4179.6-159.669.2000110.4C15 F28 I40 V43 A49 A52 L89 V91C15-L54 HydrophobicContact CB-CD1 4.2Å; F28-L54 HydrophobicContact CB-CD2 3.9Å; F28-L54 HydrophobicContact CD1-CD2 4.03Å; F28-L54 HydrophobicContact CD2-CD2 4.12Å; F28-L54 HydrophobicContact CG-CD2 3.75Å; I40-L54 HydrophobicContact CD1-CD1 4.19Å; I40-L54 HydrophobicContact CD1-CD2 3.65Å; I40-L54 HydrophobicContact CD1-CG 4.14Å; I40-L54 HydrophobicContact CG1-CD1 3.91Å; I40-L54 HydrophobicContact CG1-CD2 3.9Å; I40-L54 HydrophobicContact CG1-CG 3.84Å; I40-L54 HydrophobicContact CG2-CD2 4.16Å; I40-L54 HydrophobicContact CG2-CG 4.25Å; V43-L54 HydrophobicContact CG2-CB 4.32Å; V43-L54 HydrophobicContact CG2-CD2 4.4Å; V43-L54 HydrophobicContact CG2-CG 4.35Å; A49-L54 HydrophobicContact CB-CB 4.2Å; A49-L54 HydrophobicContact CB-CD2 3.89Å; A49-L54 WeakPolarHBondContact O-CB 3.46Å; A49-L54 PolarHBondContact O-N 2.89Å; A52-L54 VanDerWaalsContact C-N 3.33Å; A52-L54 PolarHBondContact O-N 3.41Å; L54-L89 HydrophobicContact CD1-CD1 4.12Å; L54-L89 HydrophobicContact CD2-CD1 4.2Å; L54-V91 HydrophobicContact CD1-CG1 3.78Å; L54-V91 HydrophobicContact CD1-CG2 4.43Å
55C88.3Confident88.4Confident33 Ų3334.1 Ų34.122%0.22320%0.195CC..  trans-120.7148.4-176.4-68.30000111.7I40 G53 G57 D58I40-C55 WeakPolarHBondContact CB-O 3.2Å; I40-C55 WeakPolarHBondContact CG2-O 3.42Å; G53-C55 PolarHBondContact O-SG 3.22Å; C55-G57 PolarHBondContact O-N 2.95Å; C55-D58 WeakPolarHBondContact CA-OD2 3.49Å; C55-D58 WeakPolarHBondContact CB-OD2 3.14Å; C55-D58 PolarHBondContact N-OD2 3.07Å; C55-D58 VanDerWaalsContact O-CB 3.28Å; C55-D58 WeakPolarHBondContact O-CB 3.43Å; C55-D58 VanDerWaalsContact O-CG 3.26Å; C55-D58 PolarHBondContact O-N 3.43Å
56Q89.2Confident88.8Confident152 Ų15230.7 Ų30.771%0.7119%0.185SC*.THydrogen-bonded Turntrans-58.9132.6168.9179.217732.600110.2G41G41-Q56 WeakPolarHBondContact O-CG 3.23Å; G41-Q56 PolarHBondContact O-NE2 2.9Å
57G88.4Confident89.2Confident32 Ų3230.7 Ų30.733%0.3318%0.182SC..THydrogen-bonded Turntrans93.1-10.3-178.500000114.4I40 C55 R59I40-G57 PolarHBondContact O-N 3.45Å; C55-G57 PolarHBondContact O-N 2.95Å; G57-R59 PolarHBondContact O-N 3.24Å
58D92.5Very high89.3Confident4 Ų430.7 Ų30.72%0.02118%0.181CC..PPolyproline II helixtrans-57132.4176.5-80.8-16.1000111.6R13 Y39 I40 C55 V91R13-D58 IonicContact CZ-OD1 3.19Å; R13-D58 IonicContact CZ-OD2 3.15Å; R13-D58 IonicContact NH2-OD1 3.73Å; R13-D58 PolarHBondContact NH2-OD1 2.83Å; R13-D58 IonicContact NH2-OD2 2.73Å; R13-D58 PolarHBondContact NH2-OD2 2.73Å; Y39-D58 CarbonylContact C-O 3.43Å; Y39-D58 WeakPolarHBondContact CA-O 3.46Å; Y39-D58 VanDerWaalsContact CB-O 3.3Å; Y39-D58 WeakPolarHBondContact CB-O 3.46Å; I40-D58 HydrophobicContact CB-CB 4.19Å; I40-D58 HydrophobicContact CG1-CB 3.76Å; I40-D58 PolarHBondContact N-O 3.16Å; C55-D58 WeakPolarHBondContact CA-OD2 3.49Å; C55-D58 WeakPolarHBondContact CB-OD2 3.14Å; C55-D58 PolarHBondContact N-OD2 3.07Å; C55-D58 VanDerWaalsContact O-CB 3.28Å; C55-D58 WeakPolarHBondContact O-CB 3.43Å; C55-D58 VanDerWaalsContact O-CG 3.26Å; C55-D58 PolarHBondContact O-N 3.43Å; D58-V91 HydrophobicContact CB-CB 3.99Å; D58-V91 HydrophobicContact CB-CG1 4.26Å; D58-V91 HydrophobicContact CB-CG2 4.31Å
59R92.4Very high89.2Confident13 Ų1334.2 Ų34.25%0.04921%0.211CC..EExtended strand (participates in β ladder)trans-88.1121.2171.8-63.8-72.5-174.1-130.6-15.6108.7Y39 G57 V61 V91 I92 E94 E97Y39-R59 VanDerWaalsContact CB-NH1 3.26Å; Y39-R59 VanDerWaalsContact CD1-NH1 3.25Å; Y39-R59 VanDerWaalsContact CG-NH1 3.27Å; G57-R59 PolarHBondContact O-N 3.24Å; R59-V61 PolarHBondContact O-N 2.88Å; R59-V91 CarbonylContact O-C 3.57Å; R59-V91 WeakPolarHBondContact O-CA 3.25Å; R59-I92 HydrophobicContact CB-CG2 3.99Å; R59-I92 WeakPolarHBondContact CB-O 3.45Å; R59-I92 PolarHBondContact N-O 3.34Å; R59-I92 PolarHBondContact O-N 2.97Å; R59-E94 IonicContact NH2-OE1 2.85Å; R59-E94 PolarHBondContact NH2-OE1 3.25Å; R59-E97 VanDerWaalsContact CD-OE2 3.31Å; R59-E97 WeakPolarHBondContact CD-OE2 3.34Å; R59-E97 HydrophobicContact CG-CB 4.15Å; R59-E97 HydrophobicContact CG-CG 4.31Å; R59-E97 WeakPolarHBondContact CG-OE2 3.47Å; R59-E97 IonicContact NE-OE2 2.86Å; R59-E97 PolarHBondContact NE-OE2 3.4Å
60I93.8Very high88.9Confident7 Ų742.8 Ų42.84%0.03625%0.251CS..EExtended strand (participates in β ladder)trans-79.4121.5174.1-54.8-177.5000107.8L30 Q38 I40 V63 V68 L89 V91L30-I60 HydrophobicContact CD1-CD1 3.41Å; L30-I60 VanDerWaalsContact CD1-CD1 3.41Å; L30-I60 HydrophobicContact CD1-CG1 4.48Å; Q38-I60 HydrophobicContact CB-CB 4.31Å; Q38-I60 PolarHBondContact O-N 3.24Å; I40-I60 HydrophobicContact CD1-CD1 3.74Å; I40-I60 HydrophobicContact CD1-CG1 4Å; I40-I60 HydrophobicContact CG1-CG1 4.49Å; I60-V63 HydrophobicContact CG2-CG2 3.96Å; I60-V68 HydrophobicContact CG2-CG1 4.25Å; I60-V68 HydrophobicContact CG2-CG2 4.32Å; I60-V68 WeakPolarHBondContact O-CG2 3.44Å; I60-L89 HydrophobicContact CD1-CD1 4.21Å; I60-L89 HydrophobicContact CD1-CD2 4.36Å; I60-L89 HydrophobicContact CG2-CD2 4.28Å; I60-V91 HydrophobicContact CG1-CG1 4.19Å
61V91.8Very high89Confident20 Ų2042.7 Ų42.712%0.12125%0.251CS..EExtended strand (participates in β ladder)trans-105-26.2176.7-61.50000112.2R59 S67 V68 T90 I92 V107R59-V61 PolarHBondContact O-N 2.88Å; V61-S67 WeakPolarHBondContact O-CA 2.91Å; V61-V68 PolarHBondContact O-N 3.35Å; V61-T90 HydrophobicContact CG2-CG2 3.65Å; V61-T90 VanDerWaalsContact CG2-O 3.25Å; V61-T90 WeakPolarHBondContact CG2-O 3.32Å; V61-T90 PolarHBondContact N-O 2.83Å; V61-I92 HydrophobicContact CG1-CG2 3.93Å; V61-V107 HydrophobicContact CB-CB 4.4Å; V61-V107 HydrophobicContact CB-CG1 4.4Å; V61-V107 HydrophobicContact CG1-CB 4.04Å; V61-V107 HydrophobicContact CG1-CG1 4.09Å; V61-V107 HydrophobicContact CG1-CG2 4.09Å; V61-V107 HydrophobicContact CG2-CB 4.44Å; V61-V107 HydrophobicContact CG2-CG1 3.94Å
62A91.7Very high89.5Confident0 Ų040 Ų400%025%0.247CC..EExtended strand (participates in β ladder)trans-149.8153.617300000113.3T66 T90 I109A62-T66 CarbonylContact C-O 3.44Å; A62-T66 WeakPolarHBondContact CA-O 3.4Å; A62-T66 VanDerWaalsContact CB-O 3.3Å; A62-T66 WeakPolarHBondContact CB-O 3.3Å; A62-T90 PolarHBondContact N-O 2.91Å; A62-T90 PolarHBondContact O-N 2.79Å; A62-I109 HydrophobicContact CB-CB 4.22Å; A62-I109 HydrophobicContact CB-CD1 4.3Å; A62-I109 HydrophobicContact CB-CG1 4.04Å; A62-I109 HydrophobicContact CB-CG2 3.28Å
63V93.7Very high89.8Confident0 Ų043.4 Ų43.40%026%0.262CS..EExtended strand (participates in β ladder)trans-125.8125.6171.8-178.30000107.9I60 G65 T66 V68 V76 R79 I80 R88 L89I60-V63 HydrophobicContact CG2-CG2 3.96Å; V63-G65 PolarHBondContact O-N 3.41Å; V63-T66 PolarHBondContact N-O 3.46Å; V63-T66 WeakPolarHBondContact O-CB 3.33Å; V63-T66 PolarHBondContact O-N 2.82Å; V63-V68 HydrophobicContact CB-CG1 4.35Å; V63-V68 HydrophobicContact CG2-CG1 3.65Å; V63-V76 HydrophobicContact CG2-CG1 4.11Å; V63-R79 HydrophobicContact CB-CB 4.23Å; V63-R79 HydrophobicContact CG1-CB 3.79Å; V63-I80 HydrophobicContact CG1-CG1 3.77Å; V63-I80 HydrophobicContact CG2-CD1 4.44Å; V63-I80 HydrophobicContact CG2-CG1 3.98Å; V63-R88 CarbonylContact C-O 3.54Å; V63-R88 WeakPolarHBondContact CA-O 3.15Å; V63-L89 HydrophobicContact CB-CD2 4.3Å; V63-L89 HydrophobicContact CG1-CD2 4.16Å; V63-L89 HydrophobicContact CG2-CD2 3.68Å
64N88.6Confident90.2Very high49 Ų4951.1 Ų51.126%0.26229%0.291SS..THydrogen-bonded Turntrans50.942.2-178.6-60.9-26.9000112.5T66 R79 R88N64-T66 PolarHBondContact O-N 3.18Å; N64-R79 PolarHBondContact ND2-O 2.82Å; N64-R88 PolarHBondContact N-O 3.44Å; N64-R88 PolarHBondContact OD1-N 3.45Å
65G82.8Confident90.5Very high37 Ų3755.2 Ų55.238%0.38131%0.311SS..THydrogen-bonded Turntrans74.2-0.2-178.100000115.1V63V63-G65 PolarHBondContact O-N 3.41Å
66T87.6Confident90.8Very high56 Ų5653.7 Ų53.734%0.34430%0.3SS..EExtended strand (participates in β ladder)trans-98.8127.1177.2-54.60000110.9A62 V63 N64A62-T66 CarbonylContact C-O 3.44Å; A62-T66 WeakPolarHBondContact CA-O 3.4Å; A62-T66 VanDerWaalsContact CB-O 3.3Å; A62-T66 WeakPolarHBondContact CB-O 3.3Å; V63-T66 PolarHBondContact N-O 3.46Å; V63-T66 WeakPolarHBondContact O-CB 3.33Å; V63-T66 PolarHBondContact O-N 2.82Å; N64-T66 PolarHBondContact O-N 3.18Å
67S89.2Confident91.1Very high51 Ų5148.4 Ų48.436%0.35728%0.278SS..EExtended strand (participates in β ladder)trans-55.1139173.8-175.50000112.2V61 A69 I109V61-S67 WeakPolarHBondContact O-CA 2.91Å; S67-A69 PolarHBondContact OG-N 3.43Å; S67-I109 VanDerWaalsContact CB-CD1 3.43Å
68V92.1Very high91.5Very high10 Ų1049.8 Ų49.86%0.06129%0.286CS..  trans-97.6-0.8175-550000114.2I60 V61 V63 E70 L71 V76I60-V68 HydrophobicContact CG2-CG1 4.25Å; I60-V68 HydrophobicContact CG2-CG2 4.32Å; I60-V68 WeakPolarHBondContact O-CG2 3.44Å; V61-V68 PolarHBondContact O-N 3.35Å; V63-V68 HydrophobicContact CB-CG1 4.35Å; V63-V68 HydrophobicContact CG2-CG1 3.65Å; V68-E70 VanDerWaalsContact C-N 3.27Å; V68-E70 PolarHBondContact O-N 3.3Å; V68-L71 HydrophobicContact CB-CD1 4.49Å; V68-L71 HydrophobicContact CG1-CD1 4.36Å; V68-L71 PolarHBondContact O-N 2.84Å; V68-L71 VanDerWaalsContact O-N 3.08Å; V68-V76 HydrophobicContact CB-CG2 3.85Å; V68-V76 HydrophobicContact CG1-CG1 4.25Å; V68-V76 HydrophobicContact CG1-CG2 3.9Å
69A86.7Confident91.6Very high78 Ų7853.2 Ų53.265%0.64530%0.299SS*.THydrogen-bonded Turntrans-55.3-40-172.900000113.5S67S67-A69 PolarHBondContact OG-N 3.43Å
70E86.6Confident91.7Very high181 Ų18153.1 Ų53.185%0.84630%0.299SS*.THydrogen-bonded Turntrans-102.68.5-178.4-58.9-58.3133.700113.1V68V68-E70 VanDerWaalsContact C-N 3.27Å; V68-E70 PolarHBondContact O-N 3.3Å
71L90.1Very high91.7Very high34 Ų3460.2 Ų60.218%0.17833%0.33CS..  trans-96.1137.5-177.8-61.6-176000111.2V68 E75 V76V68-L71 HydrophobicContact CB-CD1 4.49Å; V68-L71 HydrophobicContact CG1-CD1 4.36Å; V68-L71 PolarHBondContact O-N 2.84Å; V68-L71 VanDerWaalsContact O-N 3.08Å; L71-E75 HydrophobicContact CB-CB 4.16Å; L71-E75 HydrophobicContact CD2-CB 4.3Å; L71-V76 HydrophobicContact CB-CG2 3.67Å; L71-V76 HydrophobicContact CD1-CG2 4.26Å
72S92Very high91.7Very high58 Ų5865.8 Ų65.841%0.40635%0.354SS..  trans-65.8156.1167.368.10000110.9K74 E75 V76S72-K74 PolarHBondContact O-N 3.25Å; S72-K74 VanDerWaalsContact O-N 3.11Å; S72-E75 VanDerWaalsContact CB-OE2 3.26Å; S72-E75 WeakPolarHBondContact CB-OE2 3.41Å; S72-E75 PolarHBondContact N-OE2 3.1Å; S72-E75 PolarHBondContact O-N 3.35Å; S72-E75 WeakPolarHBondContact OG-CG 3.49Å; S72-E75 PolarHBondContact OG-N 3Å; S72-E75 PolarHBondContact OG-OE2 3.13Å; S72-V76 WeakPolarHBondContact O-CG2 3.14Å; S72-V76 PolarHBondContact O-N 3.36Å
73H93.2Very high91.6Very high77 Ų7768.9 Ų68.936%0.35637%0.371SS..Hα-helixtrans-52.1-37.7175.2-178.876.1000112.5A32 Q38 V76 V77A32-H73 HydrophobicContact CB-CB 4.01Å; Q38-H73 VanDerWaalsContact NE2-CA 3.29Å; Q38-H73 PolarHBondContact OE1-ND1 3.23Å; H73-V76 PolarHBondContact O-N 3.49Å; H73-V77 VanDerWaalsContact O-CG2 3.31Å; H73-V77 WeakPolarHBondContact O-CG2 3.49Å; H73-V77 PolarHBondContact O-N 3.21Å
74K94.6Very high91.4Very high175 Ų17572.4 Ų72.476%0.76139%0.394SS*.Hα-helixtrans-65.5-40.6177.5-172.4178.9177.1-176.70112.4S72 V77 A78S72-K74 PolarHBondContact O-N 3.25Å; S72-K74 VanDerWaalsContact O-N 3.11Å; K74-V77 PolarHBondContact O-N 2.81Å; K74-A78 WeakPolarHBondContact O-CB 3.14Å; K74-A78 PolarHBondContact O-N 2.78Å
75E95.3Very high91.3Very high93 Ų9373.5 Ų73.544%0.43540%0.399SS..Hα-helixtrans-69.9-36.1177.7-71.6162.3129.100112.1L71 S72 A78 R79L71-E75 HydrophobicContact CB-CB 4.16Å; L71-E75 HydrophobicContact CD2-CB 4.3Å; S72-E75 VanDerWaalsContact CB-OE2 3.26Å; S72-E75 WeakPolarHBondContact CB-OE2 3.41Å; S72-E75 PolarHBondContact N-OE2 3.1Å; S72-E75 PolarHBondContact O-N 3.35Å; S72-E75 WeakPolarHBondContact OG-CG 3.49Å; S72-E75 PolarHBondContact OG-N 3Å; S72-E75 PolarHBondContact OG-OE2 3.13Å; E75-A78 PolarHBondContact O-N 3.04Å; E75-R79 PolarHBondContact O-N 3.38Å
76V95.1Very high91.6Very high0 Ų075.1 Ų75.10%040%0.396CS..Hα-helixtrans-63.2-47.8173.8176.20000110.4L30 Q38 V63 V68 L71 S72 H73 A78 R79 I80L30-V76 HydrophobicContact CD2-CG1 3.99Å; Q38-V76 HydrophobicContact CG-CG1 4.27Å; Q38-V76 HydrophobicContact CG-CG2 4.07Å; V63-V76 HydrophobicContact CG2-CG1 4.11Å; V68-V76 HydrophobicContact CB-CG2 3.85Å; V68-V76 HydrophobicContact CG1-CG1 4.25Å; V68-V76 HydrophobicContact CG1-CG2 3.9Å; L71-V76 HydrophobicContact CB-CG2 3.67Å; L71-V76 HydrophobicContact CD1-CG2 4.26Å; S72-V76 WeakPolarHBondContact O-CG2 3.14Å; S72-V76 PolarHBondContact O-N 3.36Å; H73-V76 PolarHBondContact O-N 3.49Å; V76-A78 VanDerWaalsContact C-N 3.29Å; V76-A78 PolarHBondContact O-N 2.83Å; V76-R79 PolarHBondContact O-N 3.02Å; V76-I80 HydrophobicContact CG1-CD1 3.95Å; V76-I80 WeakPolarHBondContact O-CG1 3.44Å; V76-I80 PolarHBondContact O-N 2.92Å
77V95.5Very high91.8Very high42 Ų4272.4 Ų72.426%0.25538%0.379SS..Hα-helixtrans-60.2-40.2174.8172.20000111.5L30 H73 K74 I80 K81L30-V77 HydrophobicContact CD2-CG2 3.77Å; H73-V77 VanDerWaalsContact O-CG2 3.31Å; H73-V77 WeakPolarHBondContact O-CG2 3.49Å; H73-V77 PolarHBondContact O-N 3.21Å; K74-V77 PolarHBondContact O-N 2.81Å; V77-I80 PolarHBondContact O-N 3.12Å; V77-K81 HydrophobicContact CG1-CD 4Å; V77-K81 WeakPolarHBondContact O-CB 3.26Å; V77-K81 WeakPolarHBondContact O-CG 3.33Å; V77-K81 PolarHBondContact O-N 2.84Å; V77-K81 VanDerWaalsContact O-N 3.15Å
78A95.8Very high91.9Very high60 Ų6072 Ų7250%0.49637%0.37SS..Hα-helixtrans-62-43.2177.100000111.8K74 E75 V76 K81 E82K74-A78 WeakPolarHBondContact O-CB 3.14Å; K74-A78 PolarHBondContact O-N 2.78Å; E75-A78 PolarHBondContact O-N 3.04Å; V76-A78 VanDerWaalsContact C-N 3.29Å; V76-A78 PolarHBondContact O-N 2.83Å; A78-K81 CarbonylContact O-C 3.52Å; A78-K81 PolarHBondContact O-N 3.3Å; A78-E82 PolarHBondContact O-N 3.14Å; A78-E82 VanDerWaalsContact O-N 3.1Å
79R95Very high92Very high77 Ų7771.5 Ų71.529%0.29137%0.367SS..Hα-helixtrans-66-39.9175.5-80.3-163.9165.680.61.4113.4V63 N64 E75 V76 K81 E82V63-R79 HydrophobicContact CB-CB 4.23Å; V63-R79 HydrophobicContact CG1-CB 3.79Å; N64-R79 PolarHBondContact ND2-O 2.82Å; E75-R79 PolarHBondContact O-N 3.38Å; V76-R79 PolarHBondContact O-N 3.02Å; R79-K81 PolarHBondContact O-N 2.82Å; R79-E82 VanDerWaalsContact O-CB 3.24Å; R79-E82 WeakPolarHBondContact O-CB 3.31Å; R79-E82 PolarHBondContact O-N 2.83Å; R79-E82 VanDerWaalsContact O-N 3.16Å
80I95Very high92.2Very high10 Ų1067.9 Ų67.95%0.05134%0.337CS..Hα-helixtrans-60.8-31.8176.5-70.3168.1000111.2Y26 F28 L30 V63 V76 V77 L89Y26-I80 HydrophobicContact CD2-CG2 4.13Å; Y26-I80 HydrophobicContact CE2-CG2 4.06Å; F28-I80 HydrophobicContact CZ-CD1 4.27Å; F28-I80 HydrophobicContact CZ-CG2 4.21Å; L30-I80 HydrophobicContact CD2-CD1 3.97Å; V63-I80 HydrophobicContact CG1-CG1 3.77Å; V63-I80 HydrophobicContact CG2-CD1 4.44Å; V63-I80 HydrophobicContact CG2-CG1 3.98Å; V76-I80 HydrophobicContact CG1-CD1 3.95Å; V76-I80 WeakPolarHBondContact O-CG1 3.44Å; V76-I80 PolarHBondContact O-N 2.92Å; V77-I80 PolarHBondContact O-N 3.12Å; I80-L89 HydrophobicContact CD1-CD2 4.41Å; I80-L89 HydrophobicContact CG1-CD2 4.14Å
81K93.5Very high92.5Very high156 Ų15659.3 Ų59.368%0.67830%0.297SS*.THydrogen-bonded Turntrans-964.7-178.7-65.3-178.9177-172.50113.7V77 A78 R79V77-K81 HydrophobicContact CG1-CD 4Å; V77-K81 WeakPolarHBondContact O-CB 3.26Å; V77-K81 WeakPolarHBondContact O-CG 3.33Å; V77-K81 PolarHBondContact O-N 2.84Å; V77-K81 VanDerWaalsContact O-N 3.15Å; A78-K81 CarbonylContact O-C 3.52Å; A78-K81 PolarHBondContact O-N 3.3Å; R79-K81 PolarHBondContact O-N 2.82Å
82E92.5Very high92.3Very high137 Ų13757.8 Ų57.864%0.6429%0.289SS*.SBendtrans-62.6-45.1-177.1-177.2174.7-165.400111.4A78 R79A78-E82 PolarHBondContact O-N 3.14Å; A78-E82 VanDerWaalsContact O-N 3.1Å; R79-E82 VanDerWaalsContact O-CB 3.24Å; R79-E82 WeakPolarHBondContact O-CB 3.31Å; R79-E82 PolarHBondContact O-N 2.83Å; R79-E82 VanDerWaalsContact O-N 3.16Å
83D88Confident92.1Very high66 Ų6659 Ų5935%0.35329%0.291SS..SBendtrans-102124.4169.8177.4-27.1000109.2Y26 L85 K86Y26-D83 PolarHBondContact OH-O 3.02Å; D83-L85 PolarHBondContact O-N 3.34Å; D83-L85 PolarHBondContact OD1-N 2.85Å; D83-K86 VanDerWaalsContact CB-O 3.26Å; D83-K86 WeakPolarHBondContact CB-O 3.31Å; D83-K86 PolarHBondContact OD1-N 3.24Å
84P89.6Confident91.6Very high73 Ų7360.5 Ų60.547%0.47430%0.298SS..SBendtrans-69.9-17.5-175.628.4-35.4000113.9K19 A22K19-P84 WeakPolarHBondContact CE-O 3.43Å; K19-P84 PolarHBondContact NZ-O 3.25Å; A22-P84 HydrophobicContact CB-CB 4.11Å
85L86.6Confident91Very high73 Ų7355.4 Ų55.438%0.38229%0.288SS..SBendtrans-116-26.4-175.1-65.8176.9000113.4I18 K19 Y21 A22 D83I18-L85 CarbonylContact C-O 3.49Å; I18-L85 WeakPolarHBondContact CA-O 3.26Å; K19-L85 HydrophobicContact CB-CD2 4.37Å; K19-L85 PolarHBondContact N-O 2.78Å; Y21-L85 VanDerWaalsContact C-CD2 3.47Å; A22-L85 HydrophobicContact CB-CD2 4.44Å; D83-L85 PolarHBondContact O-N 3.34Å; D83-L85 PolarHBondContact OD1-N 2.85Å
86K88.7Confident90.4Very high70 Ų7051 Ų5130%0.30427%0.268SS..EExtended strand (participates in β ladder)trans-131.2140.6-173-169.9-177.8176.3-173.70111.9L16 L17 Y26 D83L16-K86 HydrophobicContact CD1-CD 4.05Å; L16-K86 HydrophobicContact CD1-CG 3.73Å; L17-K86 CarbonylContact O-C 3.5Å; L17-K86 VanDerWaalsContact O-CA 3.31Å; L17-K86 WeakPolarHBondContact O-CA 3.48Å; Y26-K86 WeakPolarHBondContact OH-CA 3.22Å; Y26-K86 PolarHBondContact OH-N 3.19Å; Y26-K86 PolarHBondContact OH-O 2.92Å; D83-K86 VanDerWaalsContact CB-O 3.26Å; D83-K86 WeakPolarHBondContact CB-O 3.31Å; D83-K86 PolarHBondContact OD1-N 3.24Å
87C92.3Very high89.9Confident0 Ų052.3 Ų52.30%027%0.274CS..EExtended strand (participates in β ladder)trans-144.1135.5169.8179.80000109.9L17 Y26L17-C87 HydrophobicContact CB-CB 4.4Å; L17-C87 HydrophobicContact CD1-CB 4.44Å; L17-C87 WeakPolarHBondContact CD1-O 3.25Å; L17-C87 PolarHBondContact N-O 3.3Å; L17-C87 PolarHBondContact O-N 2.97Å; Y26-C87 HydrophobicContact CE1-CB 4.18Å; Y26-C87 HydrophobicContact CE2-CB 3.85Å; Y26-C87 WeakPolarHBondContact OH-CB 3.26Å; Y26-C87 PolarHBondContact OH-N 3.41Å
88R91Very high89.4Confident41 Ų4154.1 Ų54.116%0.15528%0.282CS..EExtended strand (participates in β ladder)trans-103.2117173.8-72.1166.859.7-177.5-1.5108.8L14 L16 V63 N64 V111 A113L14-R88 HydrophobicContact CD1-CB 4.35Å; L16-R88 HydrophobicContact CD1-CG 3.53Å; V63-R88 CarbonylContact C-O 3.54Å; V63-R88 WeakPolarHBondContact CA-O 3.15Å; N64-R88 PolarHBondContact N-O 3.44Å; N64-R88 PolarHBondContact OD1-N 3.45Å; R88-V111 PolarHBondContact NH2-O 3.43Å; R88-A113 VanDerWaalsContact NE-CB 3.26Å; R88-A113 PolarHBondContact NH1-O 3.22Å
89L94Very high89Confident0 Ų053.4 Ų53.40%027%0.267CS..EExtended strand (participates in β ladder)trans-107.5127.6171.9-62.3-176.9000109.4C15 L17 F28 L54 I60 V63 I80 V91C15-L89 HydrophobicContact CB-CB 4.36Å; C15-L89 PolarHBondContact N-O 2.96Å; C15-L89 PolarHBondContact O-N 3.07Å; L17-L89 HydrophobicContact CD1-CB 4.09Å; L17-L89 HydrophobicContact CD1-CD1 3.69Å; L17-L89 HydrophobicContact CD1-CG 3.56Å; L17-L89 HydrophobicContact CD2-CD1 4.43Å; F28-L89 HydrophobicContact CZ-CD1 4.13Å; L54-L89 HydrophobicContact CD1-CD1 4.12Å; L54-L89 HydrophobicContact CD2-CD1 4.2Å; I60-L89 HydrophobicContact CD1-CD1 4.21Å; I60-L89 HydrophobicContact CD1-CD2 4.36Å; I60-L89 HydrophobicContact CG2-CD2 4.28Å; V63-L89 HydrophobicContact CB-CD2 4.3Å; V63-L89 HydrophobicContact CG1-CD2 4.16Å; V63-L89 HydrophobicContact CG2-CD2 3.68Å; I80-L89 HydrophobicContact CD1-CD2 4.41Å; I80-L89 HydrophobicContact CG1-CD2 4.14Å; L89-V91 HydrophobicContact CB-CG1 4.13Å
90T91.4Very high88.4Confident3 Ų350.2 Ų50.22%0.01826%0.255CS..EExtended strand (participates in β ladder)trans-97.3121.2165.6-51.20000107.2P12 R13 V61 A62P12-T90 HydrophobicContact CB-CG2 3.92Å; P12-T90 HydrophobicContact CG-CG2 4.43Å; R13-T90 WeakPolarHBondContact O-CA 3.49Å; V61-T90 HydrophobicContact CG2-CG2 3.65Å; V61-T90 VanDerWaalsContact CG2-O 3.25Å; V61-T90 WeakPolarHBondContact CG2-O 3.32Å; V61-T90 PolarHBondContact N-O 2.83Å; A62-T90 PolarHBondContact N-O 2.91Å; A62-T90 PolarHBondContact O-N 2.79Å
91V92.4Very high87.8Confident0 Ų054.9 Ų54.90%027%0.274CS..EExtended strand (participates in β ladder)trans-127.6155.6-174-59.80000112.2P12 R13 L54 D58 R59 I60 L89P12-V91 CarbonylContact C-O 3.57Å; P12-V91 VanDerWaalsContact CA-O 3.23Å; P12-V91 WeakPolarHBondContact CA-O 3.42Å; P12-V91 WeakPolarHBondContact CB-O 3.35Å; R13-V91 HydrophobicContact CB-CG2 4Å; R13-V91 PolarHBondContact N-O 2.96Å; R13-V91 PolarHBondContact O-N 2.89Å; L54-V91 HydrophobicContact CD1-CG1 3.78Å; L54-V91 HydrophobicContact CD1-CG2 4.43Å; D58-V91 HydrophobicContact CB-CB 3.99Å; D58-V91 HydrophobicContact CB-CG1 4.26Å; D58-V91 HydrophobicContact CB-CG2 4.31Å; R59-V91 CarbonylContact O-C 3.57Å; R59-V91 WeakPolarHBondContact O-CA 3.25Å; I60-V91 HydrophobicContact CG1-CG1 4.19Å; L89-V91 HydrophobicContact CB-CG1 4.13Å
92I87.6Confident87.5Confident3 Ų355 Ų552%0.01528%0.278CS..EExtended strand (participates in β ladder)trans-137.7151.3170.2-166.6164.5000108.9P10 P12 R59 V61 E97 Y100 V107P10-I92 HydrophobicContact CB-CD1 4.45Å; P12-I92 HydrophobicContact CB-CB 4.47Å; R59-I92 HydrophobicContact CB-CG2 3.99Å; R59-I92 WeakPolarHBondContact CB-O 3.45Å; R59-I92 PolarHBondContact N-O 3.34Å; R59-I92 PolarHBondContact O-N 2.97Å; V61-I92 HydrophobicContact CG1-CG2 3.93Å; I92-E97 HydrophobicContact CG2-CB 3.99Å; I92-Y100 HydrophobicContact CD1-CD2 3.64Å; I92-Y100 HydrophobicContact CD1-CE2 3.43Å; I92-Y100 VanDerWaalsContact CD1-CE2 3.43Å; I92-V107 HydrophobicContact CB-CG1 4.45Å; I92-V107 HydrophobicContact CD1-CG1 4.06Å; I92-V107 HydrophobicContact CD1-CG2 4.27Å; I92-V107 HydrophobicContact CG2-CG1 4.5Å; I92-V107 HydrophobicContact CG2-CG2 4.33Å
93D86.4Confident87.1Confident84 Ų8454.4 Ų54.445%0.44927%0.269SS..  trans-71.8166.9173.266.84.8000111.4A95 G96 E97D93-A95 VanDerWaalsContact C-N 3.29Å; D93-A95 PolarHBondContact O-N 3.07Å; D93-G96 PolarHBondContact O-N 3.11Å; D93-G96 VanDerWaalsContact OD1-CA 3.27Å; D93-G96 WeakPolarHBondContact OD1-CA 3.47Å; D93-G96 PolarHBondContact OD1-N 2.8Å; D93-E97 PolarHBondContact O-N 2.89Å
94E83.1Confident86.9Confident108 Ų10854.7 Ų54.751%0.50529%0.288SS..Hα-helixtrans-61.7-38.1-178.5-179.4167-136.100112.4R59 E97 L98R59-E94 IonicContact NH2-OE1 2.85Å; R59-E94 PolarHBondContact NH2-OE1 3.25Å; E94-E97 PolarHBondContact O-N 2.85Å; E94-L98 HydrophobicContact CG-CD1 4.29Å; E94-L98 WeakPolarHBondContact O-CB 3.07Å; E94-L98 VanDerWaalsContact O-CG 3.29Å; E94-L98 WeakPolarHBondContact O-CG 3.27Å; E94-L98 PolarHBondContact O-N 3.11Å
95A81.9Confident86.4Confident67 Ų6755.7 Ų55.755%0.55429%0.288SS*.Hα-helixtrans-64.1-42.1177.600000111.5D93 L98 W99D93-A95 VanDerWaalsContact C-N 3.29Å; D93-A95 PolarHBondContact O-N 3.07Å; A95-L98 PolarHBondContact O-N 2.92Å; A95-W99 PolarHBondContact O-N 2.59Å
96G83.8Confident85.9Confident1 Ų158.1 Ų58.11%0.0131%0.305CS..Hα-helixtrans-67.4-45.4177.200000111.9P10 D93 L98 W99 Y100P10-G96 VanDerWaalsContact CG-CA 3.42Å; D93-G96 PolarHBondContact O-N 3.11Å; D93-G96 VanDerWaalsContact OD1-CA 3.27Å; D93-G96 WeakPolarHBondContact OD1-CA 3.47Å; D93-G96 PolarHBondContact OD1-N 2.8Å; G96-L98 VanDerWaalsContact C-N 3.26Å; G96-L98 PolarHBondContact O-N 2.85Å; G96-W99 VanDerWaalsContact O-CB 3.32Å; G96-W99 WeakPolarHBondContact O-CB 3.44Å; G96-W99 PolarHBondContact O-N 3.45Å; G96-Y100 VanDerWaalsContact O-CD2 3.23Å; G96-Y100 WeakPolarHBondContact O-CD2 3.01Å; G96-Y100 PolarHBondContact O-N 3.06Å; G96-Y100 VanDerWaalsContact O-N 3.12Å
97E83.9Confident85.5Confident28 Ų2855.6 Ų55.613%0.13130%0.295CS..Hα-helixtrans-55.3-44.1174.1-167.4-166.8-161.800111.6R59 I92 D93 E94 W99 Y100 K101R59-E97 VanDerWaalsContact CD-OE2 3.31Å; R59-E97 WeakPolarHBondContact CD-OE2 3.34Å; R59-E97 HydrophobicContact CG-CB 4.15Å; R59-E97 HydrophobicContact CG-CG 4.31Å; R59-E97 WeakPolarHBondContact CG-OE2 3.47Å; R59-E97 IonicContact NE-OE2 2.86Å; R59-E97 PolarHBondContact NE-OE2 3.4Å; I92-E97 HydrophobicContact CG2-CB 3.99Å; D93-E97 PolarHBondContact O-N 2.89Å; E94-E97 PolarHBondContact O-N 2.85Å; E97-W99 VanDerWaalsContact C-N 3.34Å; E97-W99 PolarHBondContact O-N 2.84Å; E97-Y100 PolarHBondContact O-N 3.33Å; E97-K101 HydrophobicContact CG-CD 4.22Å; E97-K101 WeakPolarHBondContact O-CB 3.35Å; E97-K101 WeakPolarHBondContact O-CG 3.35Å; E97-K101 PolarHBondContact O-N 2.96Å; E97-K101 WeakPolarHBondContact OE1-CE 3.46Å; E97-K101 IonicContact OE1-NZ 2.62Å; E97-K101 PolarHBondContact OE1-NZ 2.97Å; E97-K101 IonicContact OE2-NZ 2.68Å; E97-K101 PolarHBondContact OE2-NZ 2.87Å
98L85Confident84.8Confident79 Ų7957.7 Ų57.741%0.41431%0.309SS..Hα-helixtrans-62.4-40176.3-74.6168.6000112.2E94 A95 G96 Y100 K101 Q102E94-L98 HydrophobicContact CG-CD1 4.29Å; E94-L98 WeakPolarHBondContact O-CB 3.07Å; E94-L98 VanDerWaalsContact O-CG 3.29Å; E94-L98 WeakPolarHBondContact O-CG 3.27Å; E94-L98 PolarHBondContact O-N 3.11Å; A95-L98 PolarHBondContact O-N 2.92Å; G96-L98 VanDerWaalsContact C-N 3.26Å; G96-L98 PolarHBondContact O-N 2.85Å; L98-Y100 VanDerWaalsContact C-N 3.35Å; L98-Y100 PolarHBondContact O-N 2.84Å; L98-K101 PolarHBondContact O-N 2.89Å; L98-Q102 WeakPolarHBondContact O-CB 3.34Å; L98-Q102 VanDerWaalsContact O-CG 3.25Å; L98-Q102 WeakPolarHBondContact O-CG 3.33Å; L98-Q102 PolarHBondContact O-N 3.06Å
99W87Confident84Confident46 Ų4657.4 Ų57.417%0.17431%0.31CS..Hα-helixtrans-58.2-46.9176.6-169.7103.7000111.4P9 P10 A95 G96 E97 R103 M105P9-W99 HydrophobicContact CB-CE3 4.37Å; P9-W99 HydrophobicContact CB-CH2 3.58Å; P9-W99 HydrophobicContact CB-CZ2 4.23Å; P9-W99 HydrophobicContact CB-CZ3 3.66Å; P10-W99 HydrophobicContact CG-CB 3.63Å; P10-W99 HydrophobicContact CG-CD2 4.09Å; P10-W99 HydrophobicContact CG-CE3 4.36Å; P10-W99 HydrophobicContact CG-CG 3.78Å; A95-W99 PolarHBondContact O-N 2.59Å; G96-W99 VanDerWaalsContact O-CB 3.32Å; G96-W99 WeakPolarHBondContact O-CB 3.44Å; G96-W99 PolarHBondContact O-N 3.45Å; E97-W99 VanDerWaalsContact C-N 3.34Å; E97-W99 PolarHBondContact O-N 2.84Å; W99-R103 VanDerWaalsContact CH2-CD 3.44Å; W99-R103 VanDerWaalsContact CZ2-CD 3.47Å; W99-R103 PolarHBondContact O-N 2.88Å; W99-M105 HydrophobicContact CH2-SD 4.08Å; W99-M105 HydrophobicContact CZ3-CE 4.24Å; W99-M105 HydrophobicContact CZ3-SD 3.76Å
100Y82.6Confident82.3Confident10 Ų1063.6 Ų63.64%0.03934%0.343CS..Hα-helixtrans-65.7-46.3176.8-77.2-83.7000111.8P10 I92 G96 E97 L98 Q102 R103 G104 M105 V106 V107 P108P10-Y100 HydrophobicContact CG-CD2 4.41Å; P10-Y100 HydrophobicContact CG-CE2 4.02Å; P10-Y100 WeakPolarHBondContact O-CE2 3.39Å; P10-Y100 VanDerWaalsContact O-CZ 3.32Å; P10-Y100 PolarHBondContact O-OH 3.26Å; I92-Y100 HydrophobicContact CD1-CD2 3.64Å; I92-Y100 HydrophobicContact CD1-CE2 3.43Å; I92-Y100 VanDerWaalsContact CD1-CE2 3.43Å; G96-Y100 VanDerWaalsContact O-CD2 3.23Å; G96-Y100 WeakPolarHBondContact O-CD2 3.01Å; G96-Y100 PolarHBondContact O-N 3.06Å; G96-Y100 VanDerWaalsContact O-N 3.12Å; E97-Y100 PolarHBondContact O-N 3.33Å; L98-Y100 VanDerWaalsContact C-N 3.35Å; L98-Y100 PolarHBondContact O-N 2.84Å; Y100-Q102 PolarHBondContact O-N 3.18Å; Y100-R103 CarbonylContact O-C 3.52Å; Y100-R103 PolarHBondContact O-N 2.77Å; Y100-G104 PolarHBondContact O-N 3.37Å; Y100-G104 VanDerWaalsContact O-N 3.1Å; Y100-M105 HydrophobicContact CD1-CB 3.73Å; Y100-M105 PolarHBondContact O-N 2.8Å; Y100-V106 WeakPolarHBondContact CD1-O 3.25Å; Y100-V107 HydrophobicContact CD1-CG2 4.37Å; Y100-V107 HydrophobicContact CD2-CB 4.46Å; Y100-V107 HydrophobicContact CD2-CG2 3.67Å; Y100-V107 HydrophobicContact CE2-CG1 4.42Å; Y100-V107 HydrophobicContact CE2-CG2 4.23Å; Y100-V107 HydrophobicContact CG-CG2 3.77Å; Y100-P108 WeakPolarHBondContact OH-CD 3.45Å
101K83.5Confident80.3Confident107 Ų10766 Ų6647%0.46536%0.358SS..Hα-helixtrans-60-46.2179.7-78.1178.4-179.6167.20112.5E97 L98 R103 G104E97-K101 HydrophobicContact CG-CD 4.22Å; E97-K101 WeakPolarHBondContact O-CB 3.35Å; E97-K101 WeakPolarHBondContact O-CG 3.35Å; E97-K101 PolarHBondContact O-N 2.96Å; E97-K101 WeakPolarHBondContact OE1-CE 3.46Å; E97-K101 IonicContact OE1-NZ 2.62Å; E97-K101 PolarHBondContact OE1-NZ 2.97Å; E97-K101 IonicContact OE2-NZ 2.68Å; E97-K101 PolarHBondContact OE2-NZ 2.87Å; L98-K101 PolarHBondContact O-N 2.89Å; K101-R103 PolarHBondContact O-N 3.48Å; K101-G104 PolarHBondContact O-N 3.12Å; K101-G104 VanDerWaalsContact O-N 3.1Å
102Q85.8Confident77.7Confident160 Ų16071.6 Ų71.675%0.74839%0.394SS*.Hα-helixtrans-62.5-28-179.7-74.4175.821.100112.7L98 Y100L98-Q102 WeakPolarHBondContact O-CB 3.34Å; L98-Q102 VanDerWaalsContact O-CG 3.25Å; L98-Q102 WeakPolarHBondContact O-CG 3.33Å; L98-Q102 PolarHBondContact O-N 3.06Å; Y100-Q102 PolarHBondContact O-N 3.18Å
103R85.6Confident75.2Confident123 Ų12372.8 Ų72.846%0.46441%0.405SS..THydrogen-bonded Turntrans-95.81.2179.3-68177173.4-111.8-5.4113.4D7 W99 Y100 K101 M105D7-R103 IonicContact OD1-CZ 2.77Å; D7-R103 IonicContact OD1-NH2 3.83Å; D7-R103 PolarHBondContact OD1-NH2 2.82Å; D7-R103 IonicContact OD2-CZ 3.65Å; D7-R103 IonicContact OD2-NH1 3.65Å; D7-R103 PolarHBondContact OD2-NH1 3.15Å; D7-R103 IonicContact OD2-NH2 3.69Å; D7-R103 PolarHBondContact OD2-NH2 2.93Å; W99-R103 VanDerWaalsContact CH2-CD 3.44Å; W99-R103 VanDerWaalsContact CZ2-CD 3.47Å; W99-R103 PolarHBondContact O-N 2.88Å; Y100-R103 CarbonylContact O-C 3.52Å; Y100-R103 PolarHBondContact O-N 2.77Å; K101-R103 PolarHBondContact O-N 3.48Å; R103-M105 HydrophobicContact CB-CG 3.94Å; R103-M105 HydrophobicContact CB-SD 3.97Å; R103-M105 PolarHBondContact O-N 3.38Å
104G82.1Confident72.7Confident72 Ų7274.4 Ų74.474%0.74241%0.413SS*.THydrogen-bonded Turntrans61.626.8-175.400000113Y100 K101Y100-G104 PolarHBondContact O-N 3.37Å; Y100-G104 VanDerWaalsContact O-N 3.1Å; K101-G104 PolarHBondContact O-N 3.12Å; K101-G104 VanDerWaalsContact O-N 3.1Å
105M80.5Confident70.2Confident95 Ų9573.1 Ų73.147%0.46843%0.429SS..PPolyproline II helixtrans-99153.7-179.3-65.9178.365.900110.2W99 Y100 R103W99-M105 HydrophobicContact CH2-SD 4.08Å; W99-M105 HydrophobicContact CZ3-CE 4.24Å; W99-M105 HydrophobicContact CZ3-SD 3.76Å; Y100-M105 HydrophobicContact CD1-CB 3.73Å; Y100-M105 PolarHBondContact O-N 2.8Å; R103-M105 HydrophobicContact CB-CG 3.94Å; R103-M105 HydrophobicContact CB-SD 3.97Å; R103-M105 PolarHBondContact O-N 3.38Å
106V76.2Confident67.7Low124 Ų12478.9 Ų78.975%0.75245%0.445SS*.PPolyproline II helixtrans-96.1137.5174.6-1760000108.5Y100Y100-V106 WeakPolarHBondContact CD1-O 3.25Å
107V80.1Confident65.2Low16 Ų1684 Ų8410%0.09748%0.481CS..PPolyproline II helixtrans-63.4127.2173.4-175.60000108.4P12 V61 I92 Y100 I109P12-V107 HydrophobicContact CB-CG1 3.79Å; P12-V107 HydrophobicContact CG-CG1 3.86Å; V61-V107 HydrophobicContact CB-CB 4.4Å; V61-V107 HydrophobicContact CB-CG1 4.4Å; V61-V107 HydrophobicContact CG1-CB 4.04Å; V61-V107 HydrophobicContact CG1-CG1 4.09Å; V61-V107 HydrophobicContact CG1-CG2 4.09Å; V61-V107 HydrophobicContact CG2-CB 4.44Å; V61-V107 HydrophobicContact CG2-CG1 3.94Å; I92-V107 HydrophobicContact CB-CG1 4.45Å; I92-V107 HydrophobicContact CD1-CG1 4.06Å; I92-V107 HydrophobicContact CD1-CG2 4.27Å; I92-V107 HydrophobicContact CG2-CG1 4.5Å; I92-V107 HydrophobicContact CG2-CG2 4.33Å; Y100-V107 HydrophobicContact CD1-CG2 4.37Å; Y100-V107 HydrophobicContact CD2-CB 4.46Å; Y100-V107 HydrophobicContact CD2-CG2 3.67Å; Y100-V107 HydrophobicContact CE2-CG1 4.42Å; Y100-V107 HydrophobicContact CE2-CG2 4.23Å; Y100-V107 HydrophobicContact CG-CG2 3.77Å; V107-I109 PolarHBondContact O-N 3.02Å
108P78Confident62.5Low45 Ų4589.5 Ų89.529%0.29251%0.511SS..PPolyproline II helixtrans-65.3134.6179.323.9-29.9000110.8P12 Y100P12-P108 HydrophobicContact CG-CG 3.89Å; P12-P108 VanDerWaalsContact CG-O 3.25Å; P12-P108 WeakPolarHBondContact CG-O 3.34Å; Y100-P108 WeakPolarHBondContact OH-CD 3.45Å
109I73.2Confident59.8Low34 Ų3491 Ų9117%0.17453%0.528CS..  trans-102.4-22.8-175.4-67.4169000111.9A62 S67 V107 V111A62-I109 HydrophobicContact CB-CB 4.22Å; A62-I109 HydrophobicContact CB-CD1 4.3Å; A62-I109 HydrophobicContact CB-CG1 4.04Å; A62-I109 HydrophobicContact CB-CG2 3.28Å; S67-I109 VanDerWaalsContact CB-CD1 3.43Å; V107-I109 PolarHBondContact O-N 3.02Å; I109-V111 PolarHBondContact O-N 3.5Å
110D58.8Low57.2Low131 Ų13196.1 Ų96.170%0.70156%0.557SS**  trans-78.787.5-174.6-71.3-42.1000112
111V48.6Very low54.7Low53 Ų5399.7 Ų99.732%0.32158%0.584SS.*  trans-107.1102.4155.8-158.50000106.1L14 R88 I109 A113L14-V111 HydrophobicContact CB-CB 3.98Å; L14-V111 HydrophobicContact CB-CG1 3.94Å; L14-V111 HydrophobicContact CB-CG2 4.07Å; L14-V111 HydrophobicContact CD1-CB 4.3Å; L14-V111 HydrophobicContact CD2-CB 3.92Å; L14-V111 HydrophobicContact CD2-CG1 3.83Å; L14-V111 HydrophobicContact CG-CB 4.27Å; L14-V111 HydrophobicContact CG-CG1 4.43Å; R88-V111 PolarHBondContact NH2-O 3.43Å; I109-V111 PolarHBondContact O-N 3.5Å; V111-A113 PolarHBondContact O-N 2.83Å
112P37.6Very low51.9Low117 Ų117103.3 Ų103.376%0.7660%0.596SS**  trans-73.797.5-172.826.1-27.5000109.4D114P112-D114 PolarHBondContact O-N 2.95Å
113A36.5Very low49Very low29 Ų29101.3 Ų101.324%0.2460%0.595CS.*  trans-73.9104.7148.600000105.7R88 V111R88-A113 VanDerWaalsContact NE-CB 3.26Å; R88-A113 PolarHBondContact NH1-O 3.22Å; V111-A113 PolarHBondContact O-N 2.83Å
114D32.9Very low46.2Very low117 Ų117107 Ų10763%0.62662%0.616SS**SBend-167.7143.1104.6-69-30.8000106.4P112 Q116P112-D114 PolarHBondContact O-N 2.95Å; D114-Q116 PolarHBondContact O-N 3.37Å
115G31.1Very low43.6Very low82 Ų82110.5 Ų110.585%0.84562%0.618SS**SBendtrans-64.788.1-172.500000112.9
116Q29.9Very low41.2Very low187 Ų187113.4 Ų113.487%0.87464%0.635SS**  trans-166.1112.1153.9-107.3154.629.600109.8D114 N118D114-Q116 PolarHBondContact O-N 3.37Å; Q116-N118 PolarHBondContact O-N 3.41Å
117S30.3Very low39.2Very low110 Ų110110.6 Ų110.677%0.76963%0.632SS**  trans0.4111.4155.8-172.80000116.4
118N27.7Very low36.7Very low142 Ų142116.8 Ų116.876%0.75967%0.669SS**  -165.4130.4115-97.1-11.5000111.3Q116 I120Q116-N118 PolarHBondContact O-N 3.41Å; N118-I120 PolarHBondContact O-N 2.73Å
119S28.7Very low34.5Very low111 Ų111120.2 Ų120.278%0.77669%0.689SS**  trans-44.8122.9170.254.70000112.4
120I31.1Very low32.8Very low153 Ų153122.8 Ų122.879%0.78570%0.703SS**  trans-124.797.1152.2-56.4-179.9000106.4N118N118-I120 PolarHBondContact O-N 2.73Å
121S29.7Very low32Very low86 Ų86122.8 Ų122.860%0.60170%0.703SS**  trans-70.9127.9169.1480000109.8T123S121-T123 VanDerWaalsContact C-N 3.3Å; S121-T123 PolarHBondContact O-N 2.62Å
122Y25Very low31.7Very low183 Ų183124.8 Ų124.872%0.71872%0.724SS**  trans-70.490.4155.5-59.2-79.7000107.9R124Y122-R124 PolarHBondContact O-N 2.95Å
123T24.5Very low32.1Very low118 Ų118127.2 Ų127.272%0.72472%0.723SS**  trans-79.2101.6168.952.70000108.9S121S121-T123 VanDerWaalsContact C-N 3.3Å; S121-T123 PolarHBondContact O-N 2.62Å
124R28Very low32.7Very low241 Ų241129.7 Ų129.791%0.90974%0.735SS**  trans-106.695144.6-158.9176.3-167167.83.5106.6Y122 N126Y122-R124 PolarHBondContact O-N 2.95Å; R124-N126 PolarHBondContact O-N 2.64Å; R124-N126 VanDerWaalsContact O-N 3.15Å
125D27.6Very low34.5Very low147 Ų147133.2 Ų133.279%0.78674%0.744SS**SBendtrans2776.8151.9-161.331.5000115.8
126N30.3Very low36.7Very low155 Ų155132.1 Ų132.183%0.82972%0.716SS**SBendtrans172.8111.4146.5-92.8-26.5000109.8R124R124-N126 PolarHBondContact O-N 2.64Å; R124-N126 VanDerWaalsContact O-N 3.15Å
127G32.5Very low39.3Very low66 Ų66125.1 Ų125.168%0.6869%0.687SS**  trans69.8102.6160.200000116.3V129G127-V129 PolarHBondContact O-N 3.34Å
128V29.4Very low42.1Very low145 Ų145122.5 Ų122.588%0.87966%0.664SS**  trans-61.8102.2161.7177.90000108.2
129V31.2Very low45.1Very low118 Ų118115.7 Ų115.772%0.71563%0.628SS**  trans-89.8113.8162.7-132.70000106.6G127 L131G127-V129 PolarHBondContact O-N 3.34Å; V129-L131 VanDerWaalsContact C-N 3.28Å; V129-L131 PolarHBondContact O-N 2.99Å
130D37.1Very low48.1Very low87 Ų87113.5 Ų113.547%0.46560%0.603SS.*  trans-6785.4176.7-170.77.9000109.3A132 K133D130-A132 PolarHBondContact O-N 3.07Å; D130-K133 PolarHBondContact O-N 2.83Å; D130-K133 WeakPolarHBondContact OD2-CE 3.37Å; D130-K133 IonicContact OD2-NZ 2.81Å
131L42.1Very low51Low132 Ų132109.1 Ų109.169%0.69158%0.581SS**G310 helixtrans-58.1-17.1-177.6-78.4154.4000113V129 K133 V134V129-L131 VanDerWaalsContact C-N 3.28Å; V129-L131 PolarHBondContact O-N 2.99Å; L131-K133 PolarHBondContact O-N 2.96Å; L131-V134 PolarHBondContact O-N 3.48Å
132A43.5Very low54.1Low94 Ų94105 Ų10578%0.77755%0.552SS**G310 helixtrans-68.3-9.317300000113.9D130D130-A132 PolarHBondContact O-N 3.07Å
133K44.8Very low57.4Low169 Ų169101.4 Ų101.474%0.73554%0.54SS*.G310 helixtrans-101.6-9.2176.3-72.1-179.9-176.7168.10114.8D130 L131 K135D130-K133 PolarHBondContact O-N 2.83Å; D130-K133 WeakPolarHBondContact OD2-CE 3.37Å; D130-K133 IonicContact OD2-NZ 2.81Å; L131-K133 PolarHBondContact O-N 2.96Å; K133-K135 PolarHBondContact O-N 2.86Å; K133-K135 VanDerWaalsContact O-N 3.1Å
134V49.6Very low60.9Low80 Ų8095.8 Ų95.849%0.48551%0.506SS..SBendtrans-82.894.2176-173.90000107.3L131 K136L131-V134 PolarHBondContact O-N 3.48Å; V134-K136 PolarHBondContact O-N 3.25Å; V134-K136 VanDerWaalsContact O-N 3.13Å
135K71.1Confident64.1Low191 Ų19187.7 Ų87.783%0.8348%0.482SS*.PPolyproline II helixtrans-59.1117.2178.9-170.5-179.8-179.6-172.50108.5K133 P137K133-K135 PolarHBondContact O-N 2.86Å; K133-K135 VanDerWaalsContact O-N 3.1Å; K135-P137 WeakPolarHBondContact O-CD 3.35Å; K135-P137 VanDerWaalsContact O-N 3.11Å
136K77Confident67.3Low59 Ų5982.3 Ų82.326%0.25745%0.452SS..PPolyproline II helixtrans-49.6116.1173.5171.4171.9176.8-177.60108.8V134 L138 W227 Y228 E239V134-K136 PolarHBondContact O-N 3.25Å; V134-K136 VanDerWaalsContact O-N 3.13Å; K136-L138 HydrophobicContact CG-CD2 4.46Å; K136-W227 HydrophobicContact CB-CH2 3.84Å; K136-W227 HydrophobicContact CB-CZ2 4.22Å; K136-W227 HydrophobicContact CB-CZ3 4.31Å; K136-W227 HydrophobicContact CD-CH2 4.11Å; K136-W227 HydrophobicContact CD-CZ3 4.06Å; K136-W227 HydrophobicContact CG-CE3 4.42Å; K136-W227 HydrophobicContact CG-CH2 3.7Å; K136-W227 HydrophobicContact CG-CZ2 4.46Å; K136-W227 HydrophobicContact CG-CZ3 3.67Å; K136-Y228 VanDerWaalsContact CE-CZ 3.49Å; K136-Y228 WeakPolarHBondContact CE-OH 3.25Å; K136-E239 IonicContact NZ-OE2 3.48Å; K136-E239 PolarHBondContact NZ-OE2 3.47Å
137P85.1Confident70.3Confident40 Ų4079.9 Ų79.926%0.2644%0.439SS..PPolyproline II helixtrans-63.8150.5171.330.6-33.6000107.9K135 V224 W227 Y228K135-P137 WeakPolarHBondContact O-CD 3.35Å; K135-P137 VanDerWaalsContact O-N 3.11Å; P137-V224 HydrophobicContact CB-CG2 3.98Å; P137-W227 HydrophobicContact CG-CB 3.66Å; P137-W227 HydrophobicContact CG-CD2 3.7Å; P137-W227 HydrophobicContact CG-CE3 4.09Å; P137-W227 HydrophobicContact CG-CG 3.48Å; P137-W227 VanDerWaalsContact CG-CG 3.48Å; P137-Y228 VanDerWaalsContact O-CE2 3.23Å; P137-Y228 WeakPolarHBondContact O-CE2 3.03Å; P137-Y228 PolarHBondContact O-OH 3.45Å
138L88.2Confident73.2Confident55 Ų5581.7 Ų81.729%0.28843%0.426SS..  trans-115.1145.4-177.5-65.4172.3000109.4K136 E239 E241K136-L138 HydrophobicContact CG-CD2 4.46Å; L138-E239 HydrophobicContact CD2-CB 4.15Å; L138-E241 HydrophobicContact CB-CG 3.9Å; L138-E241 VanDerWaalsContact O-CG 3.23Å; L138-E241 WeakPolarHBondContact O-CG 3.47Å
139P89.8Confident76.1Confident0 Ų081 Ų810%041%0.414CS..  trans-67.6157.4168.132-40.2000110.5L218 V219 Y228 Y235 E239 V240 E241P139-L218 HydrophobicContact CB-CD1 3.78Å; P139-L218 HydrophobicContact CB-CG 4.02Å; P139-L218 HydrophobicContact CG-CD1 3.77Å; P139-L218 HydrophobicContact CG-CD2 4.36Å; P139-L218 HydrophobicContact CG-CG 4.21Å; P139-V219 CarbonylContact C-O 3.53Å; P139-V219 WeakPolarHBondContact CA-O 3.29Å; P139-V219 WeakPolarHBondContact CB-O 3.29Å; P139-Y228 WeakPolarHBondContact CD-OH 3.31Å; P139-Y235 HydrophobicContact CB-CD1 4.01Å; P139-Y235 HydrophobicContact CB-CE1 4.15Å; P139-Y235 HydrophobicContact CG-CD1 3.99Å; P139-Y235 HydrophobicContact CG-CE1 4.47Å; P139-E239 WeakPolarHBondContact CD-O 3.39Å; P139-E239 WeakPolarHBondContact CG-O 3.24Å; P139-V240 CarbonylContact O-C 3.54Å; P139-V240 VanDerWaalsContact O-CA 3.3Å; P139-V240 WeakPolarHBondContact O-CA 3.33Å; P139-E241 PolarHBondContact O-N 3.1Å
140R92.6Very high78.9Confident65 Ų6582.5 Ų82.525%0.24542%0.417CS..EExtended strand (participates in β ladder)trans-98137.9178.3-166.3179.6-57154.75.1110.5G180 E182 L218 V219 E241R140-G180 PolarHBondContact NH1-O 3.48Å; R140-E182 IonicContact CZ-OE1 3.5Å; R140-E182 IonicContact NH1-OE1 3.44Å; R140-E182 PolarHBondContact NH1-OE1 3.38Å; R140-E182 IonicContact NH2-OE1 3.89Å; R140-L218 WeakPolarHBondContact O-CA 3.41Å; R140-V219 HydrophobicContact CB-CG2 3.97Å; R140-V219 PolarHBondContact N-O 3.37Å; R140-V219 WeakPolarHBondContact O-CG2 3.49Å; R140-V219 PolarHBondContact O-N 3.04Å; R140-E241 IonicContact CZ-OE2 3.78Å; R140-E241 IonicContact NE-OE2 2.75Å; R140-E241 PolarHBondContact NE-OE2 3.34Å; R140-E241 IonicContact NH2-OE2 3.59Å
141L92.8Very high81.6Confident61 Ų6179.6 Ų79.632%0.31940%0.401SS..EExtended strand (participates in β ladder)trans-96.7110.2170.7-171.964.5000109.7E216 L218 F237 V240L141-E216 HydrophobicContact CD1-CB 4.29Å; L141-L218 HydrophobicContact CD1-CD1 4.43Å; L141-F237 HydrophobicContact CD1-CD1 3.67Å; L141-F237 HydrophobicContact CD1-CE1 3.75Å; L141-V240 HydrophobicContact CB-CB 4.21Å; L141-V240 HydrophobicContact CB-CG1 4.11Å; L141-V240 HydrophobicContact CB-CG2 4.35Å
142C94.4Very high84.1Confident0 Ų080.8 Ų80.80%040%0.403CS..EExtended strand (participates in β ladder)trans-99.3115.9177.4-63.30000109.5L144 L181 E216 L217C142-L144 HydrophobicContact CB-CD1 3.87Å; C142-L144 WeakPolarHBondContact O-CD1 3.27Å; C142-L181 HydrophobicContact CB-CD1 4.3Å; C142-E216 WeakPolarHBondContact O-CA 2.92Å; C142-L217 HydrophobicContact CB-CB 4.44Å; C142-L217 PolarHBondContact N-O 3.4Å; C142-L217 PolarHBondContact O-N 3.26Å
143K95.1Very high86.6Confident107 Ų10777.2 Ų77.247%0.46537%0.37SS..EExtended strand (participates in β ladder)trans-97109173.1-172.9169.2-171.61380110V145 S179 E216K143-V145 HydrophobicContact CG-CG2 4.17Å; K143-S179 VanDerWaalsContact O-CB 3.29Å; K143-S179 WeakPolarHBondContact O-CB 3.45Å; K143-E216 HydrophobicContact CB-CG 4.23Å; K143-E216 HydrophobicContact CD-CG 4.27Å; K143-E216 WeakPolarHBondContact CE-OE1 3.34Å; K143-E216 HydrophobicContact CG-CG 3.95Å; K143-E216 IonicContact NZ-OE1 2.63Å; K143-E216 PolarHBondContact NZ-OE1 3.26Å
144L96.3Very high89Confident0 Ų069.5 Ų69.50%034%0.338CS..EExtended strand (participates in β ladder)trans-95.9125.2178.8-69.374.2000108.5C142 Y153 F155 P175 A176 S179 Q214 V215 L217C142-L144 HydrophobicContact CB-CD1 3.87Å; C142-L144 WeakPolarHBondContact O-CD1 3.27Å; L144-Y153 HydrophobicContact CB-CD1 3.69Å; L144-Y153 HydrophobicContact CB-CE1 3.9Å; L144-Y153 HydrophobicContact CD2-CD1 3.95Å; L144-Y153 HydrophobicContact CD2-CG 4.07Å; L144-Y153 HydrophobicContact CG-CD1 4.49Å; L144-F155 HydrophobicContact CD2-CD1 4.04Å; L144-F155 HydrophobicContact CD2-CE1 3.87Å; L144-P175 HydrophobicContact CB-CB 4.43Å; L144-A176 HydrophobicContact CD2-CB 3.71Å; L144-S179 VanDerWaalsContact CD1-OG 3.3Å; L144-S179 WeakPolarHBondContact CD1-OG 3.42Å; L144-S179 WeakPolarHBondContact CG-OG 3.25Å; L144-Q214 CarbonylContact O-C 3.47Å; L144-Q214 WeakPolarHBondContact O-CA 3.33Å; L144-Q214 WeakPolarHBondContact O-CB 3.41Å; L144-V215 HydrophobicContact CB-CG1 3.85Å; L144-V215 HydrophobicContact CD1-CG1 4.48Å; L144-V215 HydrophobicContact CD2-CG1 4.4Å; L144-V215 HydrophobicContact CG-CG1 4.46Å; L144-V215 PolarHBondContact N-O 2.92Å; L144-V215 PolarHBondContact O-N 3.48Å; L144-L217 HydrophobicContact CD1-CD1 3.83Å; L144-L217 HydrophobicContact CD1-CG 4.03Å; L144-L217 HydrophobicContact CD2-CD1 4.31Å
145V95.3Very high91.3Very high70 Ų7067.4 Ų67.442%0.42432%0.322SS..EExtended strand (participates in β ladder)trans-128.3124176.2-174.50000108.2K143 P175 Q214K143-V145 HydrophobicContact CG-CG2 4.17Å; V145-P175 WeakPolarHBondContact O-CB 3.45Å; V145-Q214 HydrophobicContact CG2-CB 4.13Å
146K94.7Very high92.5Very high35 Ų3560.5 Ų60.515%0.15230%0.298CS..  trans-80.5150.3175.7-67.2169.5-177.7-173.40110.8Q151 Y153 P175 P212 M213K146-Q151 HydrophobicContact CB-CB 4.22Å; K146-Q151 HydrophobicContact CD-CB 4.33Å; K146-Q151 WeakPolarHBondContact CD-O 3.36Å; K146-Q151 WeakPolarHBondContact CE-O 3.27Å; K146-Q151 HydrophobicContact CG-CB 4.23Å; K146-Q151 PolarHBondContact NZ-O 3.23Å; K146-Y153 HydrophobicContact CD-CD1 4.37Å; K146-Y153 HydrophobicContact CD-CE1 4.04Å; K146-Y153 HydrophobicContact CG-CD1 3.8Å; K146-Y153 HydrophobicContact CG-CE1 3.66Å; K146-P175 HydrophobicContact CG-CG 4.18Å; K146-P212 WeakPolarHBondContact CD-O 3.31Å; K146-P212 PolarHBondContact NZ-O 2.95Å; K146-M213 HydrophobicContact CB-CE 3.46Å; K146-M213 VanDerWaalsContact CB-CE 3.46Å; K146-M213 HydrophobicContact CD-CE 4.11Å; K146-M213 HydrophobicContact CG-CE 4.46Å; K146-M213 PolarHBondContact N-O 3.37Å
147D93.7Very high93.4Very high103 Ų10359 Ų5955%0.55129%0.293SS*.SBendtrans-77.7-28.3176.9-53.7-54.9000111.6Q151 R178D147-Q151 PolarHBondContact OD2-NE2 3.11Å; D147-Q151 PolarHBondContact OD2-OE1 2.79Å; D147-R178 VanDerWaalsContact CG-NH2 3.31Å; D147-R178 IonicContact OD1-CZ 3.98Å; D147-R178 IonicContact OD1-NH2 3.09Å; D147-R178 PolarHBondContact OD1-NH2 3.17Å; D147-R178 VanDerWaalsContact OD1-NH2 3.09Å; D147-R178 IonicContact OD2-CZ 3.51Å; D147-R178 IonicContact OD2-NH1 3.23Å; D147-R178 PolarHBondContact OD2-NH1 3.35Å; D147-R178 IonicContact OD2-NH2 2.85Å; D147-R178 PolarHBondContact OD2-NH2 3.49Å
148Y93.5Very high93.8Very high104 Ų10461.8 Ų61.841%0.40830%0.302SS..SBendtrans-155.1155.5177.748.5-91.7000111.5D150 Q151 M213Y148-D150 VanDerWaalsContact C-N 3.32Å; Y148-D150 HydrophobicContact CD2-CB 4.48Å; Y148-D150 PolarHBondContact O-N 2.9Å; Y148-Q151 HydrophobicContact CD2-CB 3.73Å; Y148-Q151 HydrophobicContact CE1-CB 4.45Å; Y148-Q151 HydrophobicContact CE1-CG 4.39Å; Y148-Q151 HydrophobicContact CE2-CB 3.47Å; Y148-Q151 VanDerWaalsContact CE2-CB 3.47Å; Y148-Q151 HydrophobicContact CE2-CG 3.95Å; Y148-Q151 HydrophobicContact CG-CB 4.32Å; Y148-Q151 VanDerWaalsContact O-CB 3.26Å; Y148-Q151 WeakPolarHBondContact O-CB 3.28Å; Y148-Q151 PolarHBondContact O-N 3.15Å; Y148-M213 WeakPolarHBondContact O-CE 3.49Å
149Q89.5Confident93.7Very high132 Ų13261.9 Ų61.962%0.61731%0.311SS*.THydrogen-bonded Turntrans-57.2-39.4-169.1-76.8-178.9-31.200114.5Q151 M213Q149-Q151 VanDerWaalsContact C-N 3.26Å; Q149-Q151 PolarHBondContact O-N 3.34Å; Q149-M213 HydrophobicContact CB-CE 4.48Å; Q149-M213 HydrophobicContact CB-SD 4.27Å; Q149-M213 HydrophobicContact CG-CE 4.12Å; Q149-M213 HydrophobicContact CG-CG 4.04Å; Q149-M213 HydrophobicContact CG-SD 3.33Å; Q149-M213 WeakPolarHBondContact CG-SD 3.45Å
150D91.1Very high93.4Very high148 Ų14866 Ų6679%0.79133%0.33SS*.THydrogen-bonded Turntrans-82-0.6-177.4-58.3-30.4000113.7Y148Y148-D150 VanDerWaalsContact C-N 3.32Å; Y148-D150 HydrophobicContact CD2-CB 4.48Å; Y148-D150 PolarHBondContact O-N 2.9Å
151Q92.8Very high92.5Very high26 Ų2673.3 Ų73.312%0.12136%0.363CS..  trans-70.5143.8174-157.4-17614.300109.3K146 D147 Y148 Q149K146-Q151 HydrophobicContact CB-CB 4.22Å; K146-Q151 HydrophobicContact CD-CB 4.33Å; K146-Q151 WeakPolarHBondContact CD-O 3.36Å; K146-Q151 WeakPolarHBondContact CE-O 3.27Å; K146-Q151 HydrophobicContact CG-CB 4.23Å; K146-Q151 PolarHBondContact NZ-O 3.23Å; D147-Q151 PolarHBondContact OD2-NE2 3.11Å; D147-Q151 PolarHBondContact OD2-OE1 2.79Å; Y148-Q151 HydrophobicContact CD2-CB 3.73Å; Y148-Q151 HydrophobicContact CE1-CB 4.45Å; Y148-Q151 HydrophobicContact CE1-CG 4.39Å; Y148-Q151 HydrophobicContact CE2-CB 3.47Å; Y148-Q151 VanDerWaalsContact CE2-CB 3.47Å; Y148-Q151 HydrophobicContact CE2-CG 3.95Å; Y148-Q151 HydrophobicContact CG-CB 4.32Å; Y148-Q151 VanDerWaalsContact O-CB 3.26Å; Y148-Q151 WeakPolarHBondContact O-CB 3.28Å; Y148-Q151 PolarHBondContact O-N 3.15Å; Q149-Q151 VanDerWaalsContact C-N 3.26Å; Q149-Q151 PolarHBondContact O-N 3.34Å
152E94.5Very high91.7Very high158 Ų15873.1 Ų73.174%0.73838%0.377SS*.  trans-84.5160.8164.5-63.6-170.5142.300109.9G154E152-G154 PolarHBondContact O-N 2.8Å
153Y96.5Very high90.9Very high19 Ų1979.5 Ų79.58%0.07540%0.4CS..  trans-70-19.1176.4-73.5-62.1000112.7L144 K146 F155 S174 P175 A176 I208 D211 Q214 V215L144-Y153 HydrophobicContact CB-CD1 3.69Å; L144-Y153 HydrophobicContact CB-CE1 3.9Å; L144-Y153 HydrophobicContact CD2-CD1 3.95Å; L144-Y153 HydrophobicContact CD2-CG 4.07Å; L144-Y153 HydrophobicContact CG-CD1 4.49Å; K146-Y153 HydrophobicContact CD-CD1 4.37Å; K146-Y153 HydrophobicContact CD-CE1 4.04Å; K146-Y153 HydrophobicContact CG-CD1 3.8Å; K146-Y153 HydrophobicContact CG-CE1 3.66Å; Y153-F155 HydrophobicContact CD2-CE1 4.35Å; Y153-F155 HydrophobicContact CG-CE1 4.21Å; Y153-S174 WeakPolarHBondContact O-CB 3.28Å; Y153-S174 PolarHBondContact O-OG 3.49Å; Y153-P175 HydrophobicContact CD1-CB 4.12Å; Y153-P175 WeakPolarHBondContact O-CD 3.38Å; Y153-A176 WeakPolarHBondContact O-CB 3.13Å; Y153-A176 PolarHBondContact O-N 3.45Å; Y153-I208 HydrophobicContact CD2-CG2 4.22Å; Y153-I208 HydrophobicContact CE2-CG2 4.1Å; Y153-D211 PolarHBondContact OH-O 3.09Å; Y153-Q214 VanDerWaalsContact OH-CA 3.26Å; Y153-Q214 WeakPolarHBondContact OH-CA 3.41Å; Y153-Q214 PolarHBondContact OH-N 3.48Å; Y153-Q214 VanDerWaalsContact OH-N 3.12Å; Y153-Q214 PolarHBondContact OH-O 3.42Å; Y153-V215 HydrophobicContact CD1-CG1 4.28Å; Y153-V215 HydrophobicContact CD2-CG1 4.26Å; Y153-V215 HydrophobicContact CE1-CG1 3.82Å; Y153-V215 HydrophobicContact CE2-CB 4.41Å; Y153-V215 HydrophobicContact CE2-CG1 3.79Å; Y153-V215 HydrophobicContact CG-CG1 4.49Å
154G96.2Very high90.6Very high6 Ų674.5 Ų74.56%0.06238%0.379CS..SBendtrans76.443.6178.100000113.7E152 V170 D171 S174E152-G154 PolarHBondContact O-N 2.8Å; G154-V170 CarbonylContact O-C 3.57Å; G154-V170 WeakPolarHBondContact O-CA 3.4Å; G154-D171 VanDerWaalsContact CA-OD2 3.26Å; G154-D171 WeakPolarHBondContact CA-OD2 3.25Å; G154-D171 PolarHBondContact O-N 2.89Å; G154-S174 PolarHBondContact O-OG 3.35Å
155F97.6Very high90.4Very high37 Ų3774.6 Ų74.616%0.16238%0.38CS..EExtended strand (participates in β ladder)trans-144.6151.516872.5-80.3000111L144 Y153 L157 V167 E169 V170 A176 L181 I187 I208 L217L144-F155 HydrophobicContact CD2-CD1 4.04Å; L144-F155 HydrophobicContact CD2-CE1 3.87Å; Y153-F155 HydrophobicContact CD2-CE1 4.35Å; Y153-F155 HydrophobicContact CG-CE1 4.21Å; F155-L157 HydrophobicContact CE2-CB 4.19Å; F155-V167 HydrophobicContact CB-CG1 4.49Å; F155-V167 HydrophobicContact CD2-CG1 4.42Å; F155-E169 CarbonylContact C-O 3.59Å; F155-E169 WeakPolarHBondContact CA-O 3.42Å; F155-V170 HydrophobicContact CB-CG2 4.12Å; F155-A176 HydrophobicContact CB-CB 3.89Å; F155-A176 HydrophobicContact CD1-CB 3.86Å; F155-A176 HydrophobicContact CG-CB 4.26Å; F155-L181 HydrophobicContact CB-CD2 3.85Å; F155-L181 HydrophobicContact CD1-CD2 3.96Å; F155-L181 HydrophobicContact CD2-CD2 3.92Å; F155-L181 HydrophobicContact CE1-CD2 4.49Å; F155-L181 HydrophobicContact CE2-CD2 4.47Å; F155-L181 HydrophobicContact CG-CD2 3.64Å; F155-I187 HydrophobicContact CE2-CD1 4.28Å; F155-I208 HydrophobicContact CZ-CD1 4.34Å; F155-L217 HydrophobicContact CE1-CD1 4.37Å; F155-L217 HydrophobicContact CZ-CD1 4.04Å
156S96Very high90.4Very high46 Ų4671.8 Ų71.832%0.32236%0.363SS..EExtended strand (participates in β ladder)trans-90.6142.1170-68.60000110.7G168 E169S156-G168 PolarHBondContact O-N 3.12Å; S156-E169 PolarHBondContact N-O 3.13Å
157L95.7Very high90.4Very high28 Ų2870.2 Ų70.215%0.14736%0.356CS..EExtended strand (participates in β ladder)trans-117.2124.5173.9-174.264.9000109F155 H165 I187 H201 V204 V205 I208F155-L157 HydrophobicContact CE2-CB 4.19Å; L157-H165 HydrophobicContact CD1-CB 3.98Å; L157-I187 HydrophobicContact CD1-CD1 3.48Å; L157-I187 VanDerWaalsContact CD1-CD1 3.48Å; L157-I187 HydrophobicContact CD1-CG1 4.17Å; L157-H201 PolarHBondContact O-CE1 3.02Å; L157-V204 HydrophobicContact CD2-CG1 3.93Å; L157-V205 HydrophobicContact CD2-CG2 4.08Å; L157-I208 HydrophobicContact CD2-CD1 3.91Å
158H92.7Very high90.5Very high98 Ų9865.6 Ų65.645%0.45433%0.332SS..EExtended strand (participates in β ladder)trans-114.8144.9175.6-57.9-65.8000109.8H165 L166H158-H165 CarbonylContact O-C 3.55Å; H158-H165 VanDerWaalsContact O-CA 3.29Å; H158-H165 WeakPolarHBondContact O-CA 3.15Å; H158-L166 PolarHBondContact N-O 3.22Å; H158-L166 PolarHBondContact O-N 3.07Å
159A87.1Confident90.6Very high57 Ų5766.8 Ų66.847%0.47134%0.341SS..EExtended strand (participates in β ladder)trans-110.5121.6168.700000108.7G164 H201A159-G164 WeakPolarHBondContact CA-O 3.3Å; A159-H201 HydrophobicContact CB-CB 3.84Å
160E83Confident90.9Very high85 Ų8562 Ų6240%0.39732%0.321SS..EExtended strand (participates in β ladder)trans-110.1133.9178.3-77.7-177.6-148.100109.9G162 R163 G164 L166E160-G162 PolarHBondContact O-N 3.22Å; E160-G162 VanDerWaalsContact O-N 3.07Å; E160-R163 HydrophobicContact CB-CB 3.92Å; E160-R163 PolarHBondContact O-N 3.31Å; E160-R163 IonicContact OE1-NH1 3.76Å; E160-R163 WeakPolarHBondContact OE2-CD 3.27Å; E160-R163 IonicContact OE2-CZ 3.91Å; E160-R163 IonicContact OE2-NE 3.57Å; E160-R163 IonicContact OE2-NH1 2.96Å; E160-R163 PolarHBondContact OE2-NH1 2.96Å; E160-G164 PolarHBondContact N-O 3.14Å; E160-G164 PolarHBondContact O-N 2.88Å; E160-G164 VanDerWaalsContact O-N 3.14Å; E160-L166 HydrophobicContact CB-CD1 4.29Å; E160-L166 VanDerWaalsContact CD-CD1 3.47Å; E160-L166 HydrophobicContact CG-CD1 4.12Å; E160-L166 WeakPolarHBondContact OE1-CD1 3.25Å
161K74.7Confident91.2Very high219 Ų21958.7 Ų58.795%0.95230%0.304SS*.THydrogen-bonded Turntrans-62.4115.8-178.2-165.6177.7-177.5-177.80109.5R163K161-R163 VanDerWaalsContact C-N 3.34Å
162G74.7Confident91.3Very high58 Ų5865.4 Ų65.460%0.59833%0.332SS*.THydrogen-bonded Turntrans85.8-4.8-178.600000115.4E160E160-G162 PolarHBondContact O-N 3.22Å; E160-G162 VanDerWaalsContact O-N 3.07Å
163R79.1Confident91.2Very high133 Ų13362.9 Ų62.950%0.50232%0.324SS..THydrogen-bonded Turntrans-116.1-7176.6-64.3-17767.1-153.46.3113.7E160 K161 L166 R186E160-R163 HydrophobicContact CB-CB 3.92Å; E160-R163 PolarHBondContact O-N 3.31Å; E160-R163 IonicContact OE1-NH1 3.76Å; E160-R163 WeakPolarHBondContact OE2-CD 3.27Å; E160-R163 IonicContact OE2-CZ 3.91Å; E160-R163 IonicContact OE2-NE 3.57Å; E160-R163 IonicContact OE2-NH1 2.96Å; E160-R163 PolarHBondContact OE2-NH1 2.96Å; K161-R163 VanDerWaalsContact C-N 3.34Å; R163-L166 HydrophobicContact CB-CD1 4.28Å; R163-R186 WeakPolarHBondContact O-CD 3.48Å
164G87.2Confident91.1Very high2 Ų262.5 Ų62.52%0.02132%0.324CS..EExtended strand (participates in β ladder)trans75.8-141178.600000111.5A159 E160A159-G164 WeakPolarHBondContact CA-O 3.3Å; E160-G164 PolarHBondContact N-O 3.14Å; E160-G164 PolarHBondContact O-N 2.88Å; E160-G164 VanDerWaalsContact O-N 3.14Å
165H92.9Very high91.1Very high2 Ų262.3 Ų62.31%0.00932%0.322CS..EExtended strand (participates in β ladder)trans-109.8111-167.3-51.159.3000109.7L157 H158 R186 I187 S199 S200 V204L157-H165 HydrophobicContact CD1-CB 3.98Å; H158-H165 CarbonylContact O-C 3.55Å; H158-H165 VanDerWaalsContact O-CA 3.29Å; H158-H165 WeakPolarHBondContact O-CA 3.15Å; H165-R186 WeakPolarHBondContact O-CA 3.29Å; H165-I187 PolarHBondContact O-N 2.57Å; H165-S199 PolarHBondContact CE1-O 2.8Å; H165-S199 PolarHBondContact NE2-O 2.96Å; H165-S199 VanDerWaalsContact NE2-O 3.13Å; H165-S200 PolarHBondContact NE2-O 3Å; H165-V204 WeakPolarHBondContact CD2-CG2 3.19Å; H165-V204 WeakPolarHBondContact NE2-CG2 3.38Å
166L94.7Very high91.1Very high12 Ų1260.6 Ų60.66%0.06331%0.314CS..EExtended strand (participates in β ladder)trans-105.9137-174.6-63.5168000110.1H158 E160 R163 G168 Q185 R186H158-L166 PolarHBondContact N-O 3.22Å; H158-L166 PolarHBondContact O-N 3.07Å; E160-L166 HydrophobicContact CB-CD1 4.29Å; E160-L166 VanDerWaalsContact CD-CD1 3.47Å; E160-L166 HydrophobicContact CG-CD1 4.12Å; E160-L166 WeakPolarHBondContact OE1-CD1 3.25Å; R163-L166 HydrophobicContact CB-CD1 4.28Å; L166-G168 PolarHBondContact O-N 3.25Å; L166-Q185 WeakPolarHBondContact CA-O 3.5Å; L166-R186 HydrophobicContact CD2-CB 4Å; L166-R186 HydrophobicContact CD2-CG 4.35Å
167V95.5Very high91Very high2 Ų262.7 Ų62.71%0.01232%0.319CS..EExtended strand (participates in β ladder)trans-69.1123.5168.1-177.50000107.7F155 V170 L181 E182 G184 Q185 I187F155-V167 HydrophobicContact CB-CG1 4.49Å; F155-V167 HydrophobicContact CD2-CG1 4.42Å; V167-V170 HydrophobicContact CG1-CG2 3.72Å; V167-L181 HydrophobicContact CG1-CD2 3.78Å; V167-L181 HydrophobicContact CG1-CG 3.91Å; V167-L181 HydrophobicContact CG2-CD1 3.97Å; V167-L181 HydrophobicContact CG2-CD2 4.16Å; V167-L181 HydrophobicContact CG2-CG 4.1Å; V167-E182 WeakPolarHBondContact CB-O 3.37Å; V167-E182 WeakPolarHBondContact CG1-O 3.26Å; V167-G184 PolarHBondContact O-N 2.68Å; V167-Q185 HydrophobicContact CB-CB 4.46Å; V167-Q185 HydrophobicContact CG2-CB 4.21Å; V167-Q185 WeakPolarHBondContact CG2-O 3.32Å; V167-Q185 PolarHBondContact N-O 3.03Å; V167-I187 HydrophobicContact CG2-CD1 4.33Å; V167-I187 HydrophobicContact CG2-CG1 3.95Å
168G94.9Very high90.9Very high5 Ų567.2 Ų67.25%0.05233%0.334CS..EExtended strand (participates in β ladder)trans-92.2-140.8171.700000111.2S156 L166 V170 E183S156-G168 PolarHBondContact O-N 3.12Å; L166-G168 PolarHBondContact O-N 3.25Å; G168-V170 PolarHBondContact O-N 2.99Å; G168-E183 WeakPolarHBondContact O-CA 3.29Å; G168-E183 WeakPolarHBondContact O-CB 3.21Å; G168-E183 WeakPolarHBondContact O-CG 3.41Å
169E96.2Very high90.9Very high129 Ų12963.8 Ų63.860%0.60332%0.321SS*.EExtended strand (participates in β ladder)trans-53.6134.3177.6-172.7173.1-167.700111.6F155 S156F155-E169 CarbonylContact C-O 3.59Å; F155-E169 WeakPolarHBondContact CA-O 3.42Å; S156-E169 PolarHBondContact N-O 3.13Å
170V96.5Very high91.2Very high32 Ų3262.4 Ų62.419%0.19431%0.312CS..EExtended strand (participates in β ladder)trans-116119.4175.4179.80000108.8G154 F155 V167 G168 A176 H177G154-V170 CarbonylContact O-C 3.57Å; G154-V170 WeakPolarHBondContact O-CA 3.4Å; F155-V170 HydrophobicContact CB-CG2 4.12Å; V167-V170 HydrophobicContact CG1-CG2 3.72Å; G168-V170 PolarHBondContact O-N 2.99Å; V170-A176 HydrophobicContact CG1-CB 3.88Å; V170-H177 HydrophobicContact CG1-CB 3.96Å
171D96.4Very high91.7Very high79 Ų7958.6 Ų58.642%0.42230%0.295SS..  trans-69.2134-177.5-67.8-30.3000110.8G154 S174 H177G154-D171 VanDerWaalsContact CA-OD2 3.26Å; G154-D171 WeakPolarHBondContact CA-OD2 3.25Å; G154-D171 PolarHBondContact O-N 2.89Å; D171-S174 WeakPolarHBondContact O-CB 3.37Å; D171-S174 PolarHBondContact O-N 3.49Å; D171-S174 PolarHBondContact O-OG 3.46Å; D171-H177 VanDerWaalsContact O-CB 3.24Å; D171-H177 WeakPolarHBondContact O-CB 3.44Å
172K94.3Very high92.6Very high167 Ų16753 Ų5373%0.72627%0.272SS*.THydrogen-bonded Turntrans-59.9140.7176-169.1178.3175-179.30111.3S174K172-S174 PolarHBondContact O-N 3.25Å
173D92.2Very high93.5Very high105 Ų10557.1 Ų57.156%0.56128%0.275SS*.THydrogen-bonded Turntrans61.48.6179.6-55.5-43.5000115.1H177 R178D173-H177 PolarHBondContact N-ND1 3.17Å; D173-H177 VanDerWaalsContact N-ND1 3.2Å; D173-R178 PolarHBondContact O-NH1 3.5Å
174S95.9Very high94.1Very high10 Ų1052.2 Ų52.27%0.0727%0.266CS..SBendtrans-74.4164.3174.671.40000113.1Y153 G154 D171 K172 A176 H177 R178Y153-S174 WeakPolarHBondContact O-CB 3.28Å; Y153-S174 PolarHBondContact O-OG 3.49Å; G154-S174 PolarHBondContact O-OG 3.35Å; D171-S174 WeakPolarHBondContact O-CB 3.37Å; D171-S174 PolarHBondContact O-N 3.49Å; D171-S174 PolarHBondContact O-OG 3.46Å; K172-S174 PolarHBondContact O-N 3.25Å; S174-A176 PolarHBondContact O-N 3.04Å; S174-A176 PolarHBondContact OG-N 3.17Å; S174-H177 PolarHBondContact O-N 3.35Å; S174-H177 PolarHBondContact OG-N 2.93Å; S174-H177 VanDerWaalsContact OG-N 3.11Å; S174-R178 VanDerWaalsContact O-CG 3.3Å; S174-R178 WeakPolarHBondContact O-CG 3.47Å; S174-R178 PolarHBondContact O-N 3.12Å
175P95.8Very high94.5Very high3 Ų352.2 Ų52.22%0.01927%0.266CS..Hα-helixtrans-51.1-36.2169.8-29.736.8000114.3L144 V145 K146 Y153 S179L144-P175 HydrophobicContact CB-CB 4.43Å; V145-P175 WeakPolarHBondContact O-CB 3.45Å; K146-P175 HydrophobicContact CG-CG 4.18Å; Y153-P175 HydrophobicContact CD1-CB 4.12Å; Y153-P175 WeakPolarHBondContact O-CD 3.38Å; P175-S179 WeakPolarHBondContact O-CB 3.39Å; P175-S179 PolarHBondContact O-N 2.75Å; P175-S179 VanDerWaalsContact O-N 3.16Å; P175-S179 PolarHBondContact O-OG 2.63Å
176A96.6Very high94.5Very high0 Ų053 Ų530%027%0.268CS..Hα-helixtrans-69.1-47.3176.400000112.6L144 Y153 F155 V170 S174 R178 S179 G180 L181L144-A176 HydrophobicContact CD2-CB 3.71Å; Y153-A176 WeakPolarHBondContact O-CB 3.13Å; Y153-A176 PolarHBondContact O-N 3.45Å; F155-A176 HydrophobicContact CB-CB 3.89Å; F155-A176 HydrophobicContact CD1-CB 3.86Å; F155-A176 HydrophobicContact CG-CB 4.26Å; V170-A176 HydrophobicContact CG1-CB 3.88Å; S174-A176 PolarHBondContact O-N 3.04Å; S174-A176 PolarHBondContact OG-N 3.17Å; A176-R178 VanDerWaalsContact C-N 3.32Å; A176-R178 PolarHBondContact O-N 3.33Å; A176-S179 PolarHBondContact O-N 3.15Å; A176-S179 PolarHBondContact O-OG 2.98Å; A176-G180 PolarHBondContact O-N 3.41Å; A176-L181 HydrophobicContact CB-CB 4.2Å; A176-L181 HydrophobicContact CB-CD2 3.83Å; A176-L181 VanDerWaalsContact O-CB 3.26Å; A176-L181 WeakPolarHBondContact O-CB 3.23Å; A176-L181 PolarHBondContact O-N 3.06Å; A176-L181 VanDerWaalsContact O-N 3.14Å
177H94.4Very high94.6Very high90 Ų9052.4 Ų52.442%0.41727%0.265SS..Hα-helixtrans-60.9-43.3176.4176.6-117.2000111.5V170 D171 D173 S174 S179 G180V170-H177 HydrophobicContact CG1-CB 3.96Å; D171-H177 VanDerWaalsContact O-CB 3.24Å; D171-H177 WeakPolarHBondContact O-CB 3.44Å; D173-H177 PolarHBondContact N-ND1 3.17Å; D173-H177 VanDerWaalsContact N-ND1 3.2Å; S174-H177 PolarHBondContact O-N 3.35Å; S174-H177 PolarHBondContact OG-N 2.93Å; S174-H177 VanDerWaalsContact OG-N 3.11Å; H177-S179 VanDerWaalsContact C-N 3.27Å; H177-S179 PolarHBondContact O-N 3.28Å; H177-G180 PolarHBondContact O-N 3.48Å
178R93.9Very high94.3Very high124 Ų12452.3 Ų52.347%0.46827%0.265SS..Hα-helixtrans-67.6-24.2179.9-65.8-175.4-50.9-124.118.5113.6D147 D173 S174 A176 G180D147-R178 VanDerWaalsContact CG-NH2 3.31Å; D147-R178 IonicContact OD1-CZ 3.98Å; D147-R178 IonicContact OD1-NH2 3.09Å; D147-R178 PolarHBondContact OD1-NH2 3.17Å; D147-R178 VanDerWaalsContact OD1-NH2 3.09Å; D147-R178 IonicContact OD2-CZ 3.51Å; D147-R178 IonicContact OD2-NH1 3.23Å; D147-R178 PolarHBondContact OD2-NH1 3.35Å; D147-R178 IonicContact OD2-NH2 2.85Å; D147-R178 PolarHBondContact OD2-NH2 3.49Å; D173-R178 PolarHBondContact O-NH1 3.5Å; S174-R178 VanDerWaalsContact O-CG 3.3Å; S174-R178 WeakPolarHBondContact O-CG 3.47Å; S174-R178 PolarHBondContact O-N 3.12Å; A176-R178 VanDerWaalsContact C-N 3.32Å; A176-R178 PolarHBondContact O-N 3.33Å; R178-G180 VanDerWaalsContact C-N 3.32Å
179S93.5Very high94.1Very high26 Ų2652 Ų5218%0.18226%0.262CS..Hα-helixtrans-84.2-7.4177.272.70000113.5K143 L144 P175 A176 H177K143-S179 VanDerWaalsContact O-CB 3.29Å; K143-S179 WeakPolarHBondContact O-CB 3.45Å; L144-S179 VanDerWaalsContact CD1-OG 3.3Å; L144-S179 WeakPolarHBondContact CD1-OG 3.42Å; L144-S179 WeakPolarHBondContact CG-OG 3.25Å; P175-S179 WeakPolarHBondContact O-CB 3.39Å; P175-S179 PolarHBondContact O-N 2.75Å; P175-S179 VanDerWaalsContact O-N 3.16Å; P175-S179 PolarHBondContact O-OG 2.63Å; A176-S179 PolarHBondContact O-N 3.15Å; A176-S179 PolarHBondContact O-OG 2.98Å; H177-S179 VanDerWaalsContact C-N 3.27Å; H177-S179 PolarHBondContact O-N 3.28Å
180G92.1Very high94Very high28 Ų2845.9 Ų45.929%0.28923%0.234SC..THydrogen-bonded Turntrans83.321.9-176.600000114R140 A176 H177 R178R140-G180 PolarHBondContact NH1-O 3.48Å; A176-G180 PolarHBondContact O-N 3.41Å; H177-G180 PolarHBondContact O-N 3.48Å; R178-G180 VanDerWaalsContact C-N 3.32Å
181L94.4Very high93.7Very high5 Ų546.6 Ų46.63%0.02624%0.236CC..  trans-71.5132171.1-161.674.9000109.5C142 F155 V167 A176 L217 V219C142-L181 HydrophobicContact CB-CD1 4.3Å; F155-L181 HydrophobicContact CB-CD2 3.85Å; F155-L181 HydrophobicContact CD1-CD2 3.96Å; F155-L181 HydrophobicContact CD2-CD2 3.92Å; F155-L181 HydrophobicContact CE1-CD2 4.49Å; F155-L181 HydrophobicContact CE2-CD2 4.47Å; F155-L181 HydrophobicContact CG-CD2 3.64Å; V167-L181 HydrophobicContact CG1-CD2 3.78Å; V167-L181 HydrophobicContact CG1-CG 3.91Å; V167-L181 HydrophobicContact CG2-CD1 3.97Å; V167-L181 HydrophobicContact CG2-CD2 4.16Å; V167-L181 HydrophobicContact CG2-CG 4.1Å; A176-L181 HydrophobicContact CB-CB 4.2Å; A176-L181 HydrophobicContact CB-CD2 3.83Å; A176-L181 VanDerWaalsContact O-CB 3.26Å; A176-L181 WeakPolarHBondContact O-CB 3.23Å; A176-L181 PolarHBondContact O-N 3.06Å; A176-L181 VanDerWaalsContact O-N 3.14Å; L181-L217 HydrophobicContact CD1-CD1 4.17Å; L181-L217 HydrophobicContact CD2-CD1 4.35Å; L181-V219 HydrophobicContact CD1-CG1 3.66Å; L181-V219 HydrophobicContact CD1-CG2 4.32Å
182E93Very high93.2Very high102 Ų10248.7 Ų48.748%0.47724%0.243SC..  trans-124.2148.2-177.4-66.4166.6-146.600111R140 V167 Q185R140-E182 IonicContact CZ-OE1 3.5Å; R140-E182 IonicContact NH1-OE1 3.44Å; R140-E182 PolarHBondContact NH1-OE1 3.38Å; R140-E182 IonicContact NH2-OE1 3.89Å; V167-E182 WeakPolarHBondContact CB-O 3.37Å; V167-E182 WeakPolarHBondContact CG1-O 3.26Å; E182-Q185 HydrophobicContact CB-CG 4.11Å; E182-Q185 WeakPolarHBondContact O-CB 3.42Å; E182-Q185 WeakPolarHBondContact O-CG 3.35Å; E182-Q185 PolarHBondContact O-N 2.71Å; E182-Q185 PolarHBondContact O-OE1 3.18Å
183E94.3Very high92.7Very high143 Ų14343.8 Ų43.867%0.66823%0.228SC*.THydrogen-bonded Turntrans-59.8141.7173.5-178.6173.9179.300111.2G168 Q185G168-E183 WeakPolarHBondContact O-CA 3.29Å; G168-E183 WeakPolarHBondContact O-CB 3.21Å; G168-E183 WeakPolarHBondContact O-CG 3.41Å; E183-Q185 VanDerWaalsContact C-N 3.29Å; E183-Q185 PolarHBondContact O-N 2.69Å
184G91.9Very high92.4Very high30 Ų3040.8 Ų40.831%0.30921%0.211SC..THydrogen-bonded Turntrans85.3-7.7179.900000114.6V167V167-G184 PolarHBondContact O-N 2.68Å
185Q94.4Very high91.8Very high3 Ų340.6 Ų40.61%0.01421%0.209CC..PPolyproline II helixtrans-69.1143.9172.5-67.4179.3-2800111.2L166 V167 E182 E183 V219 A220L166-Q185 WeakPolarHBondContact CA-O 3.5Å; V167-Q185 HydrophobicContact CB-CB 4.46Å; V167-Q185 HydrophobicContact CG2-CB 4.21Å; V167-Q185 WeakPolarHBondContact CG2-O 3.32Å; V167-Q185 PolarHBondContact N-O 3.03Å; E182-Q185 HydrophobicContact CB-CG 4.11Å; E182-Q185 WeakPolarHBondContact O-CB 3.42Å; E182-Q185 WeakPolarHBondContact O-CG 3.35Å; E182-Q185 PolarHBondContact O-N 2.71Å; E182-Q185 PolarHBondContact O-OE1 3.18Å; E183-Q185 VanDerWaalsContact C-N 3.29Å; E183-Q185 PolarHBondContact O-N 2.69Å; Q185-V219 HydrophobicContact CB-CB 4.2Å; Q185-A220 CarbonylContact C-O 3.57Å; Q185-A220 VanDerWaalsContact CA-O 3.32Å; Q185-A220 WeakPolarHBondContact CA-O 3.48Å
186R94.7Very high91Very high17 Ų1742.7 Ų42.76%0.06422%0.217CC..EExtended strand (participates in β ladder)trans-91131.5171.9-170.216472.493.3-11.9110.4R163 H165 L166 V188 V219 A220 D225R163-R186 WeakPolarHBondContact O-CD 3.48Å; H165-R186 WeakPolarHBondContact O-CA 3.29Å; L166-R186 HydrophobicContact CD2-CB 4Å; L166-R186 HydrophobicContact CD2-CG 4.35Å; R186-V188 HydrophobicContact CB-CG1 4.4Å; R186-V188 HydrophobicContact CG-CG1 4.19Å; R186-V188 PolarHBondContact O-N 3.49Å; R186-V219 CarbonylContact O-C 3.52Å; R186-V219 VanDerWaalsContact O-CA 3.25Å; R186-V219 WeakPolarHBondContact O-CA 3.42Å; R186-A220 PolarHBondContact N-O 3.47Å; R186-A220 PolarHBondContact O-N 3.2Å; R186-D225 WeakPolarHBondContact CD-OD2 3.35Å; R186-D225 IonicContact CZ-OD1 2.71Å; R186-D225 IonicContact CZ-OD2 2.71Å; R186-D225 IonicContact NE-OD1 3.92Å; R186-D225 PolarHBondContact NE-OD1 3.27Å; R186-D225 IonicContact NE-OD2 3.72Å; R186-D225 PolarHBondContact NE-OD2 3.23Å; R186-D225 IonicContact NH2-OD1 3.39Å; R186-D225 PolarHBondContact NH2-OD1 2.63Å; R186-D225 IonicContact NH2-OD2 2.69Å
187I95Very high90.2Very high0 Ų046 Ų460%023%0.234CC..EExtended strand (participates in β ladder)trans-77.4116.4169.6-57-171.9000108.3F155 L157 H165 V167 V190 I208 L217 V219F155-I187 HydrophobicContact CE2-CD1 4.28Å; L157-I187 HydrophobicContact CD1-CD1 3.48Å; L157-I187 VanDerWaalsContact CD1-CD1 3.48Å; L157-I187 HydrophobicContact CD1-CG1 4.17Å; H165-I187 PolarHBondContact O-N 2.57Å; V167-I187 HydrophobicContact CG2-CD1 4.33Å; V167-I187 HydrophobicContact CG2-CG1 3.95Å; I187-V190 HydrophobicContact CG2-CG2 3.85Å; I187-I208 HydrophobicContact CD1-CD1 4.36Å; I187-L217 HydrophobicContact CD1-CD1 4.21Å; I187-L217 HydrophobicContact CD1-CD2 4.46Å; I187-V219 HydrophobicContact CG1-CG1 4.19Å
188V89.4Confident89.3Confident0 Ų046.3 Ų46.30%024%0.243CC..EExtended strand (participates in β ladder)trans-114.6-3-178.2-59.80000112R186 I194 I195 L218 A220 Y235R186-V188 HydrophobicContact CB-CG1 4.4Å; R186-V188 HydrophobicContact CG-CG1 4.19Å; R186-V188 PolarHBondContact O-N 3.49Å; V188-I194 WeakPolarHBondContact O-CA 3.32Å; V188-I195 PolarHBondContact O-N 2.69Å; V188-L218 HydrophobicContact CG2-CB 4.06Å; V188-L218 HydrophobicContact CG2-CD2 3.91Å; V188-L218 HydrophobicContact CG2-CG 3.65Å; V188-L218 VanDerWaalsContact CG2-O 3.27Å; V188-L218 WeakPolarHBondContact CG2-O 3.37Å; V188-L218 PolarHBondContact N-O 2.97Å; V188-A220 HydrophobicContact CG1-CB 4.07Å; V188-Y235 HydrophobicContact CB-CD1 4.13Å; V188-Y235 HydrophobicContact CB-CD2 3.65Å; V188-Y235 HydrophobicContact CB-CE1 4.33Å; V188-Y235 HydrophobicContact CB-CE2 3.89Å; V188-Y235 HydrophobicContact CB-CG 3.76Å; V188-Y235 HydrophobicContact CG1-CD1 4.44Å; V188-Y235 HydrophobicContact CG1-CD2 3.83Å; V188-Y235 HydrophobicContact CG1-CE1 4.16Å; V188-Y235 HydrophobicContact CG1-CE2 3.5Å; V188-Y235 HydrophobicContact CG1-CG 4.27Å; V188-Y235 HydrophobicContact CG2-CD1 3.65Å; V188-Y235 HydrophobicContact CG2-CD2 4.12Å; V188-Y235 HydrophobicContact CG2-CE1 3.95Å; V188-Y235 HydrophobicContact CG2-CE2 4.4Å; V188-Y235 HydrophobicContact CG2-CG 3.71Å
189G90.8Very high88.6Confident0 Ų041.4 Ų41.40%023%0.227CC..EExtended strand (participates in β ladder)trans-163.1148.5173.400000112.7T193 L217 L218G189-T193 CarbonylContact C-O 3.56Å; G189-T193 WeakPolarHBondContact CA-O 3.23Å; G189-L217 WeakPolarHBondContact O-CA 3.25Å; G189-L218 PolarHBondContact N-O 2.78Å; G189-L218 VanDerWaalsContact N-O 3.11Å; G189-L218 PolarHBondContact O-N 3.38Å
190V93.8Very high88.2Confident0 Ų042.6 Ų42.60%024%0.235CC..EExtended strand (participates in β ladder)trans-135.5123.2172.3-177.80000109.3I187 Q192 T193 I195 V204 L207 I208 V215 E216 L217I187-V190 HydrophobicContact CG2-CG2 3.85Å; V190-Q192 PolarHBondContact O-N 3.04Å; V190-T193 PolarHBondContact N-O 3.15Å; V190-T193 WeakPolarHBondContact O-CA 3.47Å; V190-T193 VanDerWaalsContact O-CB 3.25Å; V190-T193 WeakPolarHBondContact O-CB 3.27Å; V190-T193 PolarHBondContact O-N 2.85Å; V190-I195 HydrophobicContact CB-CD1 4.46Å; V190-I195 HydrophobicContact CB-CG1 4.43Å; V190-I195 HydrophobicContact CG2-CD1 4.25Å; V190-I195 HydrophobicContact CG2-CG1 3.88Å; V190-V204 HydrophobicContact CG2-CG1 4.29Å; V190-L207 HydrophobicContact CB-CB 4.11Å; V190-L207 HydrophobicContact CG1-CB 3.75Å; V190-I208 HydrophobicContact CG1-CG1 3.89Å; V190-I208 HydrophobicContact CG2-CD1 4.5Å; V190-I208 HydrophobicContact CG2-CG1 3.96Å; V190-V215 HydrophobicContact CG1-CG2 3.73Å; V190-E216 CarbonylContact C-O 3.51Å; V190-E216 WeakPolarHBondContact CA-O 3.39Å; V190-L217 HydrophobicContact CB-CD2 4.43Å; V190-L217 HydrophobicContact CG1-CD2 4.21Å; V190-L217 HydrophobicContact CG2-CD2 3.83Å
191N91.2Very high88.1Confident47 Ų4744.8 Ų44.825%0.25124%0.238SC..THydrogen-bonded Turntrans45.258.4175.8-67.9-22.7000113.4T193 E216N191-T193 PolarHBondContact O-N 2.75Å; N191-T193 VanDerWaalsContact O-N 3.15Å; N191-E216 PolarHBondContact N-O 2.71Å; N191-E216 PolarHBondContact OD1-N 3.3Å
192Q86.5Confident87.9Confident122 Ų12252.8 Ų52.857%0.5727%0.273SS*.THydrogen-bonded Turntrans66.65.4-178-54.4-66.8-8.700115.7V190 F237V190-Q192 PolarHBondContact O-N 3.04Å; Q192-F237 VanDerWaalsContact C-CE2 3.46Å; Q192-F237 VanDerWaalsContact CA-CE2 3.44Å; Q192-F237 VanDerWaalsContact N-CZ 3.31Å
193T82.8Confident87.7Confident65 Ų6549.8 Ų49.840%0.39926%0.26SS..EExtended strand (participates in β ladder)trans-103.9120.3174.8-54.20000109.5G189 V190 N191 I195 L207G189-T193 CarbonylContact C-O 3.56Å; G189-T193 WeakPolarHBondContact CA-O 3.23Å; V190-T193 PolarHBondContact N-O 3.15Å; V190-T193 WeakPolarHBondContact O-CA 3.47Å; V190-T193 VanDerWaalsContact O-CB 3.25Å; V190-T193 WeakPolarHBondContact O-CB 3.27Å; V190-T193 PolarHBondContact O-N 2.85Å; N191-T193 PolarHBondContact O-N 2.75Å; N191-T193 VanDerWaalsContact O-N 3.15Å; T193-I195 HydrophobicContact CG2-CD1 4.5Å; T193-L207 HydrophobicContact CG2-CD1 4.16Å
194I86.1Confident87.5Confident42 Ų4243 Ų4322%0.21523%0.229CC..EExtended strand (participates in β ladder)trans-68.7138.3175.1-61.8-61.3000110.3V188 Y196 L218 Y235 F237V188-I194 WeakPolarHBondContact O-CA 3.32Å; I194-Y196 HydrophobicContact CG2-CE1 3.9Å; I194-Y196 HydrophobicContact CG2-CE2 4.23Å; I194-L218 HydrophobicContact CD1-CD2 4.16Å; I194-Y235 VanDerWaalsContact CD1-O 3.27Å; I194-Y235 WeakPolarHBondContact CD1-O 3.44Å; I194-F237 HydrophobicContact CD1-CD2 3.87Å; I194-F237 HydrophobicContact CD1-CE2 3.79Å
195I83.5Confident87.6Confident6 Ų643.3 Ų43.33%0.03122%0.224CC..  trans-112.2128.8-179.9-55.1-54000109.4V188 V190 T193 V204 L207V188-I195 PolarHBondContact O-N 2.69Å; V190-I195 HydrophobicContact CB-CD1 4.46Å; V190-I195 HydrophobicContact CB-CG1 4.43Å; V190-I195 HydrophobicContact CG2-CD1 4.25Å; V190-I195 HydrophobicContact CG2-CG1 3.88Å; T193-I195 HydrophobicContact CG2-CD1 4.5Å; I195-V204 HydrophobicContact CD1-CG2 4.18Å; I195-V204 HydrophobicContact CG1-CG2 4.44Å; I195-V204 HydrophobicContact CG2-CG2 3.54Å; I195-L207 HydrophobicContact CD1-CD1 3.66Å
196Y80Confident87.7Confident46 Ų4650 Ų5018%0.1825%0.249CC..  trans-100.6161.1-178.9-59.9-75.9000111.3E50 K51 I194 T198 S199E50-Y196 HydrophobicContact CG-CD2 4.18Å; E50-Y196 HydrophobicContact CG-CE2 4.25Å; E50-Y196 VanDerWaalsContact O-CE2 3.25Å; E50-Y196 WeakPolarHBondContact O-CE2 3.49Å; E50-Y196 VanDerWaalsContact O-CZ 3.3Å; K51-Y196 WeakPolarHBondContact CA-OH 3.17Å; K51-Y196 PolarHBondContact O-OH 3.14Å; I194-Y196 HydrophobicContact CG2-CE1 3.9Å; I194-Y196 HydrophobicContact CG2-CE2 4.23Å; Y196-T198 PolarHBondContact O-N 2.94Å; Y196-T198 VanDerWaalsContact O-N 3.12Å; Y196-S199 PolarHBondContact N-OG 3.43Å; Y196-S199 VanDerWaalsContact O-CB 3.3Å; Y196-S199 WeakPolarHBondContact O-CB 3.42Å; Y196-S199 PolarHBondContact O-N 3Å; Y196-S199 PolarHBondContact O-OG 2.71Å
197I79.4Confident87.6Confident71 Ų7150.5 Ų50.536%0.36425%0.253SS..THydrogen-bonded Turntrans-55.6-30.4174.9-68.5173.9000111.7
198T75.1Confident87.6Confident96 Ų9651 Ų5159%0.58926%0.256SS*.THydrogen-bonded Turntrans-87.6-10-179.552.10000114Y196Y196-T198 PolarHBondContact O-N 2.94Å; Y196-T198 VanDerWaalsContact O-N 3.12Å
199S79Confident87.7Confident21 Ų2158.3 Ų58.315%0.14729%0.287CS..SBendtrans-58.6142.9-178-62.90000110.8H165 Y196 H201H165-S199 PolarHBondContact CE1-O 2.8Å; H165-S199 PolarHBondContact NE2-O 2.96Å; H165-S199 VanDerWaalsContact NE2-O 3.13Å; Y196-S199 PolarHBondContact N-OG 3.43Å; Y196-S199 VanDerWaalsContact O-CB 3.3Å; Y196-S199 WeakPolarHBondContact O-CB 3.42Å; Y196-S199 PolarHBondContact O-N 3Å; Y196-S199 PolarHBondContact O-OG 2.71Å; S199-H201 PolarHBondContact O-N 2.88Å
200S85.6Confident87.8Confident50 Ų5065 Ų6535%0.3532%0.319SS..  trans-70.3139.7-179.198.90000110.5H165 K202 D203 V204H165-S200 PolarHBondContact NE2-O 3Å; S200-K202 PolarHBondContact O-N 3.11Å; S200-K202 PolarHBondContact OG-N 3.3Å; S200-D203 WeakPolarHBondContact CB-OD2 3.25Å; S200-D203 PolarHBondContact O-N 2.79Å; S200-D203 VanDerWaalsContact O-N 3.15Å; S200-D203 WeakPolarHBondContact OG-CB 3.49Å; S200-D203 PolarHBondContact OG-N 3.01Å; S200-D203 PolarHBondContact OG-OD2 3.2Å; S200-V204 WeakPolarHBondContact O-CG2 3.28Å; S200-V204 PolarHBondContact O-N 3.43Å; S200-V204 VanDerWaalsContact O-N 3.17Å
201H88.8Confident87.7Confident75 Ų7567.4 Ų67.435%0.34733%0.332SS..Hα-helixtrans-56.5-37.5175.7-175.179.6000111.9L157 A159 S199 D203 V204 V205L157-H201 PolarHBondContact O-CE1 3.02Å; A159-H201 HydrophobicContact CB-CB 3.84Å; S199-H201 PolarHBondContact O-N 2.88Å; H201-D203 VanDerWaalsContact C-N 3.35Å; H201-D203 PolarHBondContact O-N 3.05Å; H201-V204 PolarHBondContact O-N 3.27Å; H201-V205 VanDerWaalsContact O-CG2 3.27Å; H201-V205 WeakPolarHBondContact O-CG2 3.11Å; H201-V205 PolarHBondContact O-N 3.49Å
202K90.8Very high87.8Confident172 Ų17268.6 Ų68.675%0.74834%0.342SS*.Hα-helixtrans-63.4-39178.7-173.9-179.4176.9-174.80112.3S200 R206S200-K202 PolarHBondContact O-N 3.11Å; S200-K202 PolarHBondContact OG-N 3.3Å; K202-R206 WeakPolarHBondContact O-CB 3.41Å; K202-R206 PolarHBondContact O-N 2.79Å
203D89Confident88.3Confident40 Ų4065.2 Ų65.221%0.21433%0.327CS..Hα-helixtrans-72.8-41.4-179.6-69.1-48000112.2S200 H201 V205 R206 L207S200-D203 WeakPolarHBondContact CB-OD2 3.25Å; S200-D203 PolarHBondContact O-N 2.79Å; S200-D203 VanDerWaalsContact O-N 3.15Å; S200-D203 WeakPolarHBondContact OG-CB 3.49Å; S200-D203 PolarHBondContact OG-N 3.01Å; S200-D203 PolarHBondContact OG-OD2 3.2Å; H201-D203 VanDerWaalsContact C-N 3.35Å; H201-D203 PolarHBondContact O-N 3.05Å; D203-V205 VanDerWaalsContact C-N 3.32Å; D203-V205 PolarHBondContact O-N 3.37Å; D203-R206 WeakPolarHBondContact O-CB 3.41Å; D203-R206 PolarHBondContact O-N 2.81Å; D203-R206 VanDerWaalsContact O-N 3.11Å; D203-R206 IonicContact OD1-CZ 2.93Å; D203-R206 IonicContact OD1-NE 3.12Å; D203-R206 PolarHBondContact OD1-NE 3.38Å; D203-R206 IonicContact OD1-NH2 3.22Å; D203-R206 PolarHBondContact OD1-NH2 2.74Å; D203-L207 WeakPolarHBondContact O-CG 3.34Å; D203-L207 PolarHBondContact O-N 2.79Å
204V89.7Confident88.9Confident1 Ų165.9 Ų65.91%0.00633%0.325CS..Hα-helixtrans-59.9-46.1174.3179.30000110.4L157 H165 V190 I195 S200 H201 R206 L207 I208L157-V204 HydrophobicContact CD2-CG1 3.93Å; H165-V204 WeakPolarHBondContact CD2-CG2 3.19Å; H165-V204 WeakPolarHBondContact NE2-CG2 3.38Å; V190-V204 HydrophobicContact CG2-CG1 4.29Å; I195-V204 HydrophobicContact CD1-CG2 4.18Å; I195-V204 HydrophobicContact CG1-CG2 4.44Å; I195-V204 HydrophobicContact CG2-CG2 3.54Å; S200-V204 WeakPolarHBondContact O-CG2 3.28Å; S200-V204 PolarHBondContact O-N 3.43Å; S200-V204 VanDerWaalsContact O-N 3.17Å; H201-V204 PolarHBondContact O-N 3.27Å; V204-R206 VanDerWaalsContact C-N 3.29Å; V204-R206 PolarHBondContact O-N 3.11Å; V204-L207 PolarHBondContact O-N 3.43Å; V204-I208 HydrophobicContact CG1-CD1 3.87Å; V204-I208 VanDerWaalsContact O-CG1 3.25Å; V204-I208 WeakPolarHBondContact O-CG1 3.36Å; V204-I208 PolarHBondContact O-N 3.24Å
205V94.9Very high89.4Confident36 Ų3663.9 Ų63.922%0.21832%0.315CS..Hα-helixtrans-61.4-38.31751720000111.9L157 H201 D203 I208 K209L157-V205 HydrophobicContact CD2-CG2 4.08Å; H201-V205 VanDerWaalsContact O-CG2 3.27Å; H201-V205 WeakPolarHBondContact O-CG2 3.11Å; H201-V205 PolarHBondContact O-N 3.49Å; D203-V205 VanDerWaalsContact C-N 3.32Å; D203-V205 PolarHBondContact O-N 3.37Å; V205-I208 PolarHBondContact O-N 3.23Å; V205-K209 HydrophobicContact CG1-CD 3.84Å; V205-K209 HydrophobicContact CG1-CG 4.46Å; V205-K209 WeakPolarHBondContact O-CB 3.41Å; V205-K209 VanDerWaalsContact O-CG 3.28Å; V205-K209 WeakPolarHBondContact O-CG 3.31Å; V205-K209 PolarHBondContact O-N 3.05Å
206R94.6Very high90Very high142 Ų14265.8 Ų65.854%0.53632%0.324SS..Hα-helixtrans-64-45.1176176.8176.558.5141.7-3.3111.7K202 D203 V204 I208 K209 Q210K202-R206 WeakPolarHBondContact O-CB 3.41Å; K202-R206 PolarHBondContact O-N 2.79Å; D203-R206 WeakPolarHBondContact O-CB 3.41Å; D203-R206 PolarHBondContact O-N 2.81Å; D203-R206 VanDerWaalsContact O-N 3.11Å; D203-R206 IonicContact OD1-CZ 2.93Å; D203-R206 IonicContact OD1-NE 3.12Å; D203-R206 PolarHBondContact OD1-NE 3.38Å; D203-R206 IonicContact OD1-NH2 3.22Å; D203-R206 PolarHBondContact OD1-NH2 2.74Å; V204-R206 VanDerWaalsContact C-N 3.29Å; V204-R206 PolarHBondContact O-N 3.11Å; R206-I208 VanDerWaalsContact C-N 3.35Å; R206-K209 CarbonylContact O-C 3.55Å; R206-K209 PolarHBondContact O-N 3.14Å; R206-Q210 PolarHBondContact O-N 3.4Å; R206-Q210 VanDerWaalsContact O-N 3.09Å
207L92.9Very high90.8Very high28 Ų2863.6 Ų63.615%0.14732%0.315CS..Hα-helixtrans-62.1-42.7176.9-71.3169.1000111.3V190 T193 I195 D203 V204 K209 Q210V190-L207 HydrophobicContact CB-CB 4.11Å; V190-L207 HydrophobicContact CG1-CB 3.75Å; T193-L207 HydrophobicContact CG2-CD1 4.16Å; I195-L207 HydrophobicContact CD1-CD1 3.66Å; D203-L207 WeakPolarHBondContact O-CG 3.34Å; D203-L207 PolarHBondContact O-N 2.79Å; V204-L207 PolarHBondContact O-N 3.43Å; L207-K209 VanDerWaalsContact C-N 3.27Å; L207-K209 PolarHBondContact O-N 3.11Å; L207-Q210 VanDerWaalsContact O-CB 3.27Å; L207-Q210 WeakPolarHBondContact O-CB 3.18Å; L207-Q210 PolarHBondContact O-N 3.16Å
208I94.9Very high91.5Very high11 Ų1160.2 Ų60.26%0.05630%0.298CS..Hα-helixtrans-62.8-36.2177.4-68.8167.6000111.6Y153 F155 L157 I187 V190 V204 V205 R206 Q210 V215 L217Y153-I208 HydrophobicContact CD2-CG2 4.22Å; Y153-I208 HydrophobicContact CE2-CG2 4.1Å; F155-I208 HydrophobicContact CZ-CD1 4.34Å; L157-I208 HydrophobicContact CD2-CD1 3.91Å; I187-I208 HydrophobicContact CD1-CD1 4.36Å; V190-I208 HydrophobicContact CG1-CG1 3.89Å; V190-I208 HydrophobicContact CG2-CD1 4.5Å; V190-I208 HydrophobicContact CG2-CG1 3.96Å; V204-I208 HydrophobicContact CG1-CD1 3.87Å; V204-I208 VanDerWaalsContact O-CG1 3.25Å; V204-I208 WeakPolarHBondContact O-CG1 3.36Å; V204-I208 PolarHBondContact O-N 3.24Å; V205-I208 PolarHBondContact O-N 3.23Å; R206-I208 VanDerWaalsContact C-N 3.35Å; I208-Q210 VanDerWaalsContact C-N 3.34Å; I208-V215 HydrophobicContact CG1-CG2 4.44Å; I208-V215 HydrophobicContact CG2-CG1 4.44Å; I208-V215 HydrophobicContact CG2-CG2 4.45Å; I208-L217 HydrophobicContact CD1-CD2 4.44Å; I208-L217 HydrophobicContact CG1-CD2 4.07Å
209K93.4Very high92.5Very high153 Ų15355.7 Ų55.767%0.66527%0.27SS*.THydrogen-bonded Turntrans-88.92.5-178.8-68.9179.7178-1780113.8V205 R206 L207V205-K209 HydrophobicContact CG1-CD 3.84Å; V205-K209 HydrophobicContact CG1-CG 4.46Å; V205-K209 WeakPolarHBondContact O-CB 3.41Å; V205-K209 VanDerWaalsContact O-CG 3.28Å; V205-K209 WeakPolarHBondContact O-CG 3.31Å; V205-K209 PolarHBondContact O-N 3.05Å; R206-K209 CarbonylContact O-C 3.55Å; R206-K209 PolarHBondContact O-N 3.14Å; L207-K209 VanDerWaalsContact C-N 3.27Å; L207-K209 PolarHBondContact O-N 3.11Å
210Q92.2Very high93.1Very high141 Ų14154.7 Ų54.766%0.65926%0.263SS*.SBendtrans-63.5-43.9-176-176.5175.3-34.200111.9R206 L207 I208R206-Q210 PolarHBondContact O-N 3.4Å; R206-Q210 VanDerWaalsContact O-N 3.09Å; L207-Q210 VanDerWaalsContact O-CB 3.27Å; L207-Q210 WeakPolarHBondContact O-CB 3.18Å; L207-Q210 PolarHBondContact O-N 3.16Å; I208-Q210 VanDerWaalsContact C-N 3.34Å
211D92.4Very high93.3Very high51 Ų5153.8 Ų53.827%0.27326%0.257SS..SBendtrans-101.7122.3169.3-178.8-26.5000108.4Y153 M213 Q214Y153-D211 PolarHBondContact OH-O 3.09Å; D211-M213 PolarHBondContact O-N 3.05Å; D211-M213 PolarHBondContact OD1-N 3.01Å; D211-Q214 HydrophobicContact CB-CG 4.47Å; D211-Q214 WeakPolarHBondContact CB-O 3.26Å; D211-Q214 PolarHBondContact OD1-N 3.35Å; D211-Q214 WeakPolarHBondContact OD2-CG 3.49Å; D211-Q214 PolarHBondContact OD2-NE2 3.12Å
212P93.1Very high93.3Very high71 Ų7154 Ų5446%0.46127%0.265SS..SBendtrans-68.6-17.2-175.927.7-34.8000113.4K146K146-P212 WeakPolarHBondContact CD-O 3.31Å; K146-P212 PolarHBondContact NZ-O 2.95Å
213M95.3Very high93.1Very high52 Ų5253.3 Ų53.326%0.25626%0.264SS..SBendtrans-111.4-26.8-169.6-66.5-8946.400114.7K146 Y148 Q149 D211K146-M213 HydrophobicContact CB-CE 3.46Å; K146-M213 VanDerWaalsContact CB-CE 3.46Å; K146-M213 HydrophobicContact CD-CE 4.11Å; K146-M213 HydrophobicContact CG-CE 4.46Å; K146-M213 PolarHBondContact N-O 3.37Å; Y148-M213 WeakPolarHBondContact O-CE 3.49Å; Q149-M213 HydrophobicContact CB-CE 4.48Å; Q149-M213 HydrophobicContact CB-SD 4.27Å; Q149-M213 HydrophobicContact CG-CE 4.12Å; Q149-M213 HydrophobicContact CG-CG 4.04Å; Q149-M213 HydrophobicContact CG-SD 3.33Å; Q149-M213 WeakPolarHBondContact CG-SD 3.45Å; D211-M213 PolarHBondContact O-N 3.05Å; D211-M213 PolarHBondContact OD1-N 3.01Å
214Q96.4Very high93.1Very high78 Ų7851.7 Ų51.736%0.36426%0.256SS..EExtended strand (participates in β ladder)trans-148.6156.3-178.158.81768.200113.1L144 V145 Y153 D211L144-Q214 CarbonylContact O-C 3.47Å; L144-Q214 WeakPolarHBondContact O-CA 3.33Å; L144-Q214 WeakPolarHBondContact O-CB 3.41Å; V145-Q214 HydrophobicContact CG2-CB 4.13Å; Y153-Q214 VanDerWaalsContact OH-CA 3.26Å; Y153-Q214 WeakPolarHBondContact OH-CA 3.41Å; Y153-Q214 PolarHBondContact OH-N 3.48Å; Y153-Q214 VanDerWaalsContact OH-N 3.12Å; Y153-Q214 PolarHBondContact OH-O 3.42Å; D211-Q214 HydrophobicContact CB-CG 4.47Å; D211-Q214 WeakPolarHBondContact CB-O 3.26Å; D211-Q214 PolarHBondContact OD1-N 3.35Å; D211-Q214 WeakPolarHBondContact OD2-CG 3.49Å; D211-Q214 PolarHBondContact OD2-NE2 3.12Å
215V96.9Very high92.9Very high1 Ų153.1 Ų53.11%0.00626%0.263CS..EExtended strand (participates in β ladder)trans-150.3140.7172.463.40000110L144 Y153 V190 I208 L217L144-V215 HydrophobicContact CB-CG1 3.85Å; L144-V215 HydrophobicContact CD1-CG1 4.48Å; L144-V215 HydrophobicContact CD2-CG1 4.4Å; L144-V215 HydrophobicContact CG-CG1 4.46Å; L144-V215 PolarHBondContact N-O 2.92Å; L144-V215 PolarHBondContact O-N 3.48Å; Y153-V215 HydrophobicContact CD1-CG1 4.28Å; Y153-V215 HydrophobicContact CD2-CG1 4.26Å; Y153-V215 HydrophobicContact CE1-CG1 3.82Å; Y153-V215 HydrophobicContact CE2-CB 4.41Å; Y153-V215 HydrophobicContact CE2-CG1 3.79Å; Y153-V215 HydrophobicContact CG-CG1 4.49Å; V190-V215 HydrophobicContact CG1-CG2 3.73Å; I208-V215 HydrophobicContact CG1-CG2 4.44Å; I208-V215 HydrophobicContact CG2-CG1 4.44Å; I208-V215 HydrophobicContact CG2-CG2 4.45Å; V215-L217 HydrophobicContact CG1-CD2 4.4Å; V215-L217 HydrophobicContact CG1-CG 4.32Å; V215-L217 HydrophobicContact CG2-CD2 3.69Å; V215-L217 HydrophobicContact CG2-CG 4.31Å
216E96Very high92.3Very high45 Ų4557.1 Ų57.121%0.2128%0.28CS..EExtended strand (participates in β ladder)trans-101.2120.8169.6-72.2176.3-176.600109.2L141 C142 K143 V190 N191L141-E216 HydrophobicContact CD1-CB 4.29Å; C142-E216 WeakPolarHBondContact O-CA 2.92Å; K143-E216 HydrophobicContact CB-CG 4.23Å; K143-E216 HydrophobicContact CD-CG 4.27Å; K143-E216 WeakPolarHBondContact CE-OE1 3.34Å; K143-E216 HydrophobicContact CG-CG 3.95Å; K143-E216 IonicContact NZ-OE1 2.63Å; K143-E216 PolarHBondContact NZ-OE1 3.26Å; V190-E216 CarbonylContact C-O 3.51Å; V190-E216 WeakPolarHBondContact CA-O 3.39Å; N191-E216 PolarHBondContact N-O 2.71Å; N191-E216 PolarHBondContact OD1-N 3.3Å
217L96.5Very high91.8Very high0 Ų052.4 Ų52.40%026%0.262CS..EExtended strand (participates in β ladder)trans-111.5122178.6-57.1-179.3000109.3C142 L144 F155 L181 I187 G189 V190 I208 V215 V219C142-L217 HydrophobicContact CB-CB 4.44Å; C142-L217 PolarHBondContact N-O 3.4Å; C142-L217 PolarHBondContact O-N 3.26Å; L144-L217 HydrophobicContact CD1-CD1 3.83Å; L144-L217 HydrophobicContact CD1-CG 4.03Å; L144-L217 HydrophobicContact CD2-CD1 4.31Å; F155-L217 HydrophobicContact CE1-CD1 4.37Å; F155-L217 HydrophobicContact CZ-CD1 4.04Å; L181-L217 HydrophobicContact CD1-CD1 4.17Å; L181-L217 HydrophobicContact CD2-CD1 4.35Å; I187-L217 HydrophobicContact CD1-CD1 4.21Å; I187-L217 HydrophobicContact CD1-CD2 4.46Å; G189-L217 WeakPolarHBondContact O-CA 3.25Å; V190-L217 HydrophobicContact CB-CD2 4.43Å; V190-L217 HydrophobicContact CG1-CD2 4.21Å; V190-L217 HydrophobicContact CG2-CD2 3.83Å; I208-L217 HydrophobicContact CD1-CD2 4.44Å; I208-L217 HydrophobicContact CG1-CD2 4.07Å; V215-L217 HydrophobicContact CG1-CD2 4.4Å; V215-L217 HydrophobicContact CG1-CG 4.32Å; V215-L217 HydrophobicContact CG2-CD2 3.69Å; V215-L217 HydrophobicContact CG2-CG 4.31Å; L217-V219 HydrophobicContact CB-CG1 4.05Å
218L94.7Very high91.4Very high0 Ų051.2 Ų51.20%026%0.256CS..EExtended strand (participates in β ladder)trans-86.5120.7165.1-170.967.4000107.3P139 R140 L141 V188 G189 I194 F237 V240P139-L218 HydrophobicContact CB-CD1 3.78Å; P139-L218 HydrophobicContact CB-CG 4.02Å; P139-L218 HydrophobicContact CG-CD1 3.77Å; P139-L218 HydrophobicContact CG-CD2 4.36Å; P139-L218 HydrophobicContact CG-CG 4.21Å; R140-L218 WeakPolarHBondContact O-CA 3.41Å; L141-L218 HydrophobicContact CD1-CD1 4.43Å; V188-L218 HydrophobicContact CG2-CB 4.06Å; V188-L218 HydrophobicContact CG2-CD2 3.91Å; V188-L218 HydrophobicContact CG2-CG 3.65Å; V188-L218 VanDerWaalsContact CG2-O 3.27Å; V188-L218 WeakPolarHBondContact CG2-O 3.37Å; V188-L218 PolarHBondContact N-O 2.97Å; G189-L218 PolarHBondContact N-O 2.78Å; G189-L218 VanDerWaalsContact N-O 3.11Å; G189-L218 PolarHBondContact O-N 3.38Å; I194-L218 HydrophobicContact CD1-CD2 4.16Å; L218-F237 HydrophobicContact CB-CD1 4.34Å; L218-F237 HydrophobicContact CB-CE1 3.85Å; L218-F237 HydrophobicContact CB-CE2 4.43Å; L218-F237 HydrophobicContact CB-CZ 3.9Å; L218-F237 HydrophobicContact CD2-CD2 4.29Å; L218-F237 HydrophobicContact CD2-CE2 4.37Å; L218-F237 HydrophobicContact CD2-CG 4.46Å; L218-V240 HydrophobicContact CD1-CG1 3.48Å; L218-V240 VanDerWaalsContact CD1-CG1 3.48Å
219V95.4Very high90.4Very high1 Ų155 Ų551%0.00628%0.283CS..EExtended strand (participates in β ladder)trans-127.3140.4-175-63.10000111.8P139 R140 L181 Q185 R186 I187 L217P139-V219 CarbonylContact C-O 3.53Å; P139-V219 WeakPolarHBondContact CA-O 3.29Å; P139-V219 WeakPolarHBondContact CB-O 3.29Å; R140-V219 HydrophobicContact CB-CG2 3.97Å; R140-V219 PolarHBondContact N-O 3.37Å; R140-V219 WeakPolarHBondContact O-CG2 3.49Å; R140-V219 PolarHBondContact O-N 3.04Å; L181-V219 HydrophobicContact CD1-CG1 3.66Å; L181-V219 HydrophobicContact CD1-CG2 4.32Å; Q185-V219 HydrophobicContact CB-CB 4.2Å; R186-V219 CarbonylContact O-C 3.52Å; R186-V219 VanDerWaalsContact O-CA 3.25Å; R186-V219 WeakPolarHBondContact O-CA 3.42Å; I187-V219 HydrophobicContact CG1-CG1 4.19Å; L217-V219 HydrophobicContact CB-CG1 4.05Å
220A91.8Very high89.4Confident0 Ų053.1 Ų53.10%028%0.276CS..EExtended strand (participates in β ladder)trans-110.3131.317500000109.4Q185 R186 V188 V224 D225 Y235Q185-A220 CarbonylContact C-O 3.57Å; Q185-A220 VanDerWaalsContact CA-O 3.32Å; Q185-A220 WeakPolarHBondContact CA-O 3.48Å; R186-A220 PolarHBondContact N-O 3.47Å; R186-A220 PolarHBondContact O-N 3.2Å; V188-A220 HydrophobicContact CG1-CB 4.07Å; A220-V224 HydrophobicContact CB-CB 4.21Å; A220-V224 HydrophobicContact CB-CG1 3.99Å; A220-D225 HydrophobicContact CB-CB 3.9Å; A220-Y235 HydrophobicContact CB-CE1 3.82Å; A220-Y235 VanDerWaalsContact CB-OH 3.25Å; A220-Y235 WeakPolarHBondContact CB-OH 3.42Å
221S90.7Very high88.4Confident31 Ų3150.6 Ų50.622%0.21726%0.264CS..  trans-65.4160.8165.670.10000109.6E223 V224 D225S221-E223 PolarHBondContact O-N 2.92Å; S221-V224 PolarHBondContact O-N 3.41Å; S221-V224 VanDerWaalsContact O-N 3.11Å; S221-V224 WeakPolarHBondContact OG-CG2 3.4Å; S221-V224 PolarHBondContact OG-N 3.28Å; S221-D225 VanDerWaalsContact O-CB 3.31Å; S221-D225 WeakPolarHBondContact O-CB 3.12Å; S221-D225 PolarHBondContact O-N 3.25Å
222P88Confident87.2Confident79 Ų7951.1 Ų51.151%0.51328%0.282SS..Hα-helixtrans-51.8-40.3177.1-28.635.8000113.5D225 E226P222-D225 PolarHBondContact O-N 2.88Å; P222-E226 VanDerWaalsContact O-CB 3.31Å; P222-E226 WeakPolarHBondContact O-CB 3.45Å; P222-E226 PolarHBondContact O-N 2.78Å
223E86.1Confident86.2Confident158 Ų15849.8 Ų49.874%0.73827%0.273SS*.Hα-helixtrans-68.9-42.3178.4-61.3177.4-179.600112.6S221 D225 W227S221-E223 PolarHBondContact O-N 2.92Å; E223-D225 VanDerWaalsContact C-N 3.3Å; E223-W227 WeakPolarHBondContact O-CB 3.03Å; E223-W227 PolarHBondContact O-N 3.24Å; E223-W227 VanDerWaalsContact O-N 3.07Å
224V88.5Confident85.1Confident7 Ų752.4 Ų52.44%0.04228%0.284CS..Hα-helixtrans-63.4-43.7174.6175.10000109.1P137 A220 S221 W227 Y228 Y235P137-V224 HydrophobicContact CB-CG2 3.98Å; A220-V224 HydrophobicContact CB-CB 4.21Å; A220-V224 HydrophobicContact CB-CG1 3.99Å; S221-V224 PolarHBondContact O-N 3.41Å; S221-V224 VanDerWaalsContact O-N 3.11Å; S221-V224 WeakPolarHBondContact OG-CG2 3.4Å; S221-V224 PolarHBondContact OG-N 3.28Å; V224-W227 PolarHBondContact O-N 2.79Å; V224-Y228 HydrophobicContact CG1-CD2 3.78Å; V224-Y228 HydrophobicContact CG1-CE2 3.72Å; V224-Y228 WeakPolarHBondContact O-CD2 3.31Å; V224-Y228 PolarHBondContact O-N 2.83Å; V224-Y235 HydrophobicContact CG1-CE1 4.48Å
225D85.6Confident84.4Confident30 Ų3049.8 Ų49.816%0.1627%0.271CS..Hα-helixtrans-66.9-43-175.5-16639.7000113.2R186 A220 S221 P222 E223 Y228 S229 Y235R186-D225 WeakPolarHBondContact CD-OD2 3.35Å; R186-D225 IonicContact CZ-OD1 2.71Å; R186-D225 IonicContact CZ-OD2 2.71Å; R186-D225 IonicContact NE-OD1 3.92Å; R186-D225 PolarHBondContact NE-OD1 3.27Å; R186-D225 IonicContact NE-OD2 3.72Å; R186-D225 PolarHBondContact NE-OD2 3.23Å; R186-D225 IonicContact NH2-OD1 3.39Å; R186-D225 PolarHBondContact NH2-OD1 2.63Å; R186-D225 IonicContact NH2-OD2 2.69Å; A220-D225 HydrophobicContact CB-CB 3.9Å; S221-D225 VanDerWaalsContact O-CB 3.31Å; S221-D225 WeakPolarHBondContact O-CB 3.12Å; S221-D225 PolarHBondContact O-N 3.25Å; P222-D225 PolarHBondContact O-N 2.88Å; E223-D225 VanDerWaalsContact C-N 3.3Å; D225-Y228 PolarHBondContact O-N 2.91Å; D225-S229 WeakPolarHBondContact O-CB 3.3Å; D225-S229 PolarHBondContact O-N 3.28Å; D225-Y235 VanDerWaalsContact CA-OH 3.26Å; D225-Y235 WeakPolarHBondContact CA-OH 3.3Å; D225-Y235 PolarHBondContact OD1-OH 2.8Å
226E82.2Confident83.6Confident120 Ų12051.5 Ų51.556%0.56128%0.283SS*.Hα-helixtrans-58.2-48.8171-174.6168.3-142.400110.5P222 Y228 S229 E230P222-E226 VanDerWaalsContact O-CB 3.31Å; P222-E226 WeakPolarHBondContact O-CB 3.45Å; P222-E226 PolarHBondContact O-N 2.78Å; E226-Y228 PolarHBondContact O-N 2.9Å; E226-S229 PolarHBondContact O-N 3.15Å; E226-E230 HydrophobicContact CG-CG 4.35Å; E226-E230 WeakPolarHBondContact O-CB 3.15Å; E226-E230 VanDerWaalsContact O-CG 3.31Å; E226-E230 WeakPolarHBondContact O-CG 3.39Å; E226-E230 PolarHBondContact O-N 2.95Å
227W85.7Confident83.1Confident44 Ų4450.2 Ų50.217%0.16728%0.277CS..Hα-helixtrans-59.2-45.7179-168.996.6000112.4K136 P137 E223 V224 E230 H231 V233K136-W227 HydrophobicContact CB-CH2 3.84Å; K136-W227 HydrophobicContact CB-CZ2 4.22Å; K136-W227 HydrophobicContact CB-CZ3 4.31Å; K136-W227 HydrophobicContact CD-CH2 4.11Å; K136-W227 HydrophobicContact CD-CZ3 4.06Å; K136-W227 HydrophobicContact CG-CE3 4.42Å; K136-W227 HydrophobicContact CG-CH2 3.7Å; K136-W227 HydrophobicContact CG-CZ2 4.46Å; K136-W227 HydrophobicContact CG-CZ3 3.67Å; P137-W227 HydrophobicContact CG-CB 3.66Å; P137-W227 HydrophobicContact CG-CD2 3.7Å; P137-W227 HydrophobicContact CG-CE3 4.09Å; P137-W227 HydrophobicContact CG-CG 3.48Å; P137-W227 VanDerWaalsContact CG-CG 3.48Å; E223-W227 WeakPolarHBondContact O-CB 3.03Å; E223-W227 PolarHBondContact O-N 3.24Å; E223-W227 VanDerWaalsContact O-N 3.07Å; V224-W227 PolarHBondContact O-N 2.79Å; W227-E230 PolarHBondContact O-N 3.29Å; W227-H231 AromaticContact CD1-CE1 3.61Å; W227-H231 AromaticContact CD1-ND1 3.87Å; W227-H231 AromaticContact CD2-ND1 3.61Å; W227-H231 AromaticContact CE2-CE1 3.61Å; W227-H231 AromaticContact CE2-CG 3.87Å; W227-H231 AromaticContact CE2-ND1 3.57Å; W227-H231 AromaticContact CE2-NE2 3.88Å; W227-H231 HydrophobicContact CE3-CB 4.33Å; W227-H231 AromaticContact CG-ND1 3.82Å; W227-H231 HydrophobicContact CH2-CB 4.2Å; W227-H231 HydrophobicContact CZ2-CB 4.49Å; W227-H231 AromaticContact CZ2-CD2 3.85Å; W227-H231 AromaticContact CZ2-CG 3.89Å; W227-H231 HydrophobicContact CZ3-CB 4.12Å; W227-H231 AromaticContact NE1-CE1 3.34Å; W227-H231 PolarHBondContact NE1-CE1 3.29Å; W227-H231 VanDerWaalsContact NE1-CE1 3.34Å; W227-H231 AromaticContact NE1-ND1 3.72Å; W227-H231 AromaticContact NE1-NE2 3.75Å; W227-H231 WeakPolarHBondContact O-CB 3.5Å; W227-H231 PolarHBondContact O-N 2.8Å; W227-H231 PolarHBondContact O-ND1 3.27Å; W227-V233 HydrophobicContact CH2-CG2 4.24Å; W227-V233 HydrophobicContact CZ3-CB 4.21Å; W227-V233 HydrophobicContact CZ3-CG1 4.49Å; W227-V233 HydrophobicContact CZ3-CG2 3.81Å
228Y83.3Confident82.3Confident3 Ų357.3 Ų57.31%0.01232%0.315CS..Hα-helixtrans-64-42178.8-89.2-115.7000111.7K136 P137 P139 V224 D225 E226 H231 G232 V233 E234 Y235K136-Y228 VanDerWaalsContact CE-CZ 3.49Å; K136-Y228 WeakPolarHBondContact CE-OH 3.25Å; P137-Y228 VanDerWaalsContact O-CE2 3.23Å; P137-Y228 WeakPolarHBondContact O-CE2 3.03Å; P137-Y228 PolarHBondContact O-OH 3.45Å; P139-Y228 WeakPolarHBondContact CD-OH 3.31Å; V224-Y228 HydrophobicContact CG1-CD2 3.78Å; V224-Y228 HydrophobicContact CG1-CE2 3.72Å; V224-Y228 WeakPolarHBondContact O-CD2 3.31Å; V224-Y228 PolarHBondContact O-N 2.83Å; D225-Y228 PolarHBondContact O-N 2.91Å; E226-Y228 PolarHBondContact O-N 2.9Å; Y228-H231 PolarHBondContact O-N 3.41Å; Y228-G232 PolarHBondContact O-N 3.24Å; Y228-V233 HydrophobicContact CD1-CB 4.06Å; Y228-V233 HydrophobicContact CD1-CG1 3.96Å; Y228-V233 VanDerWaalsContact CD1-O 3.31Å; Y228-V233 WeakPolarHBondContact CD1-O 3.26Å; Y228-V233 HydrophobicContact CE1-CB 4.41Å; Y228-V233 HydrophobicContact CE1-CG1 3.8Å; Y228-V233 HydrophobicContact CG-CB 4.49Å; Y228-V233 PolarHBondContact O-N 3.2Å; Y228-V233 VanDerWaalsContact O-N 3.07Å; Y228-E234 WeakPolarHBondContact CE1-O 3.42Å; Y228-Y235 AromaticContact CD1-CD1 3.56Å; Y228-Y235 HydrophobicContact CD1-CD1 3.56Å; Y228-Y235 HydrophobicContact CD1-CD2 4.24Å; Y228-Y235 AromaticContact CD1-CE1 3.4Å; Y228-Y235 HydrophobicContact CD1-CE1 3.4Å; Y228-Y235 VanDerWaalsContact CD1-CE1 3.4Å; Y228-Y235 HydrophobicContact CD1-CE2 4.1Å; Y228-Y235 HydrophobicContact CD1-CG 4Å; Y228-Y235 AromaticContact CD1-CZ 3.71Å; Y228-Y235 HydrophobicContact CD2-CE1 4.03Å; Y228-Y235 AromaticContact CE1-CD1 3.52Å; Y228-Y235 HydrophobicContact CE1-CD1 3.52Å; Y228-Y235 AromaticContact CE1-CE1 3.7Å; Y228-Y235 HydrophobicContact CE1-CE1 3.7Å; Y228-Y235 HydrophobicContact CE1-CG 4.16Å; Y228-Y235 HydrophobicContact CE2-CE1 4.26Å; Y228-Y235 HydrophobicContact CG-CD1 4.23Å; Y228-Y235 AromaticContact CG-CE1 3.6Å; Y228-Y235 HydrophobicContact CG-CE1 3.6Å; Y228-Y235 HydrophobicContact CG-CE2 4.35Å; Y228-Y235 AromaticContact CG-CZ 3.68Å
229S75.2Confident81.6Confident90 Ų9061.6 Ų61.663%0.62934%0.335SS*.Hα-helixtrans-65.9-42.9178.1-170.70000111.8D225 E226 H231D225-S229 WeakPolarHBondContact O-CB 3.3Å; D225-S229 PolarHBondContact O-N 3.28Å; E226-S229 PolarHBondContact O-N 3.15Å; S229-H231 VanDerWaalsContact C-N 3.35Å
230E71.5Confident81.3Confident113 Ų11363.3 Ų63.353%0.52835%0.345SS..Hα-helixtrans-65.8-36.6178.5-75.7-175.5157.200112.6E226 W227E226-E230 HydrophobicContact CG-CG 4.35Å; E226-E230 WeakPolarHBondContact O-CB 3.15Å; E226-E230 VanDerWaalsContact O-CG 3.31Å; E226-E230 WeakPolarHBondContact O-CG 3.39Å; E226-E230 PolarHBondContact O-N 2.95Å; W227-E230 PolarHBondContact O-N 3.29Å
231H71.2Confident80.9Confident88 Ų8866.8 Ų66.841%0.40736%0.361SS..Hα-helixtrans-94.3-2.2-176.2-64.274.4000113.3W227 Y228 S229 V233W227-H231 AromaticContact CD1-CE1 3.61Å; W227-H231 AromaticContact CD1-ND1 3.87Å; W227-H231 AromaticContact CD2-ND1 3.61Å; W227-H231 AromaticContact CE2-CE1 3.61Å; W227-H231 AromaticContact CE2-CG 3.87Å; W227-H231 AromaticContact CE2-ND1 3.57Å; W227-H231 AromaticContact CE2-NE2 3.88Å; W227-H231 HydrophobicContact CE3-CB 4.33Å; W227-H231 AromaticContact CG-ND1 3.82Å; W227-H231 HydrophobicContact CH2-CB 4.2Å; W227-H231 HydrophobicContact CZ2-CB 4.49Å; W227-H231 AromaticContact CZ2-CD2 3.85Å; W227-H231 AromaticContact CZ2-CG 3.89Å; W227-H231 HydrophobicContact CZ3-CB 4.12Å; W227-H231 AromaticContact NE1-CE1 3.34Å; W227-H231 PolarHBondContact NE1-CE1 3.29Å; W227-H231 VanDerWaalsContact NE1-CE1 3.34Å; W227-H231 AromaticContact NE1-ND1 3.72Å; W227-H231 AromaticContact NE1-NE2 3.75Å; W227-H231 WeakPolarHBondContact O-CB 3.5Å; W227-H231 PolarHBondContact O-N 2.8Å; W227-H231 PolarHBondContact O-ND1 3.27Å; Y228-H231 PolarHBondContact O-N 3.41Å; S229-H231 VanDerWaalsContact C-N 3.35Å; H231-V233 HydrophobicContact CB-CG2 3.79Å; H231-V233 PolarHBondContact O-N 2.81Å
232G66.9Low79.5Confident62 Ų6274.1 Ų74.164%0.63939%0.389SS*.THydrogen-bonded Turntrans60.733.9-178.900000113.1Y228Y228-G232 PolarHBondContact O-N 3.24Å
233V73.1Confident77.9Confident44 Ų4474.9 Ų74.927%0.26739%0.394SS..PPolyproline II helixtrans-93.6134.4-176.9177.80000109.5W227 Y228 H231W227-V233 HydrophobicContact CH2-CG2 4.24Å; W227-V233 HydrophobicContact CZ3-CB 4.21Å; W227-V233 HydrophobicContact CZ3-CG1 4.49Å; W227-V233 HydrophobicContact CZ3-CG2 3.81Å; Y228-V233 HydrophobicContact CD1-CB 4.06Å; Y228-V233 HydrophobicContact CD1-CG1 3.96Å; Y228-V233 VanDerWaalsContact CD1-O 3.31Å; Y228-V233 WeakPolarHBondContact CD1-O 3.26Å; Y228-V233 HydrophobicContact CE1-CB 4.41Å; Y228-V233 HydrophobicContact CE1-CG1 3.8Å; Y228-V233 HydrophobicContact CG-CB 4.49Å; Y228-V233 PolarHBondContact O-N 3.2Å; Y228-V233 VanDerWaalsContact O-N 3.07Å; H231-V233 HydrophobicContact CB-CG2 3.79Å; H231-V233 PolarHBondContact O-N 2.81Å
234E71.1Confident75.9Confident107 Ų10776.1 Ų76.150%0.541%0.405SS..PPolyproline II helixtrans-78.8146.7174.6-78.1-172.217000112.1Y228Y228-E234 WeakPolarHBondContact CE1-O 3.42Å
235Y82.4Confident73.4Confident23 Ų2383 Ų839%0.0944%0.442CS..PPolyproline II helixtrans-73.4142.8169.5-68.6-74000110.6P139 V188 I194 A220 V224 D225 Y228P139-Y235 HydrophobicContact CB-CD1 4.01Å; P139-Y235 HydrophobicContact CB-CE1 4.15Å; P139-Y235 HydrophobicContact CG-CD1 3.99Å; P139-Y235 HydrophobicContact CG-CE1 4.47Å; V188-Y235 HydrophobicContact CB-CD1 4.13Å; V188-Y235 HydrophobicContact CB-CD2 3.65Å; V188-Y235 HydrophobicContact CB-CE1 4.33Å; V188-Y235 HydrophobicContact CB-CE2 3.89Å; V188-Y235 HydrophobicContact CB-CG 3.76Å; V188-Y235 HydrophobicContact CG1-CD1 4.44Å; V188-Y235 HydrophobicContact CG1-CD2 3.83Å; V188-Y235 HydrophobicContact CG1-CE1 4.16Å; V188-Y235 HydrophobicContact CG1-CE2 3.5Å; V188-Y235 HydrophobicContact CG1-CG 4.27Å; V188-Y235 HydrophobicContact CG2-CD1 3.65Å; V188-Y235 HydrophobicContact CG2-CD2 4.12Å; V188-Y235 HydrophobicContact CG2-CE1 3.95Å; V188-Y235 HydrophobicContact CG2-CE2 4.4Å; V188-Y235 HydrophobicContact CG2-CG 3.71Å; I194-Y235 VanDerWaalsContact CD1-O 3.27Å; I194-Y235 WeakPolarHBondContact CD1-O 3.44Å; A220-Y235 HydrophobicContact CB-CE1 3.82Å; A220-Y235 VanDerWaalsContact CB-OH 3.25Å; A220-Y235 WeakPolarHBondContact CB-OH 3.42Å; V224-Y235 HydrophobicContact CG1-CE1 4.48Å; D225-Y235 VanDerWaalsContact CA-OH 3.26Å; D225-Y235 WeakPolarHBondContact CA-OH 3.3Å; D225-Y235 PolarHBondContact OD1-OH 2.8Å; Y228-Y235 AromaticContact CD1-CD1 3.56Å; Y228-Y235 HydrophobicContact CD1-CD1 3.56Å; Y228-Y235 HydrophobicContact CD1-CD2 4.24Å; Y228-Y235 AromaticContact CD1-CE1 3.4Å; Y228-Y235 HydrophobicContact CD1-CE1 3.4Å; Y228-Y235 VanDerWaalsContact CD1-CE1 3.4Å; Y228-Y235 HydrophobicContact CD1-CE2 4.1Å; Y228-Y235 HydrophobicContact CD1-CG 4Å; Y228-Y235 AromaticContact CD1-CZ 3.71Å; Y228-Y235 HydrophobicContact CD2-CE1 4.03Å; Y228-Y235 AromaticContact CE1-CD1 3.52Å; Y228-Y235 HydrophobicContact CE1-CD1 3.52Å; Y228-Y235 AromaticContact CE1-CE1 3.7Å; Y228-Y235 HydrophobicContact CE1-CE1 3.7Å; Y228-Y235 HydrophobicContact CE1-CG 4.16Å; Y228-Y235 HydrophobicContact CE2-CE1 4.26Å; Y228-Y235 HydrophobicContact CG-CD1 4.23Å; Y228-Y235 AromaticContact CG-CE1 3.6Å; Y228-Y235 HydrophobicContact CG-CE1 3.6Å; Y228-Y235 HydrophobicContact CG-CE2 4.35Å; Y228-Y235 AromaticContact CG-CZ 3.68Å
236S80.6Confident70.9Confident36 Ų3689.8 Ų89.825%0.25247%0.472SS..  trans-139.2145.5174175.60000109.6D238S236-D238 PolarHBondContact O-N 3.24Å; S236-D238 PolarHBondContact OG-N 2.88Å
237F83.7Confident68.4Low18 Ų1886.3 Ų86.38%0.07947%0.469CS..SBendtrans-72.4-14.3171.2-77.2-95.5000112.8L141 Q192 I194 L218 V240L141-F237 HydrophobicContact CD1-CD1 3.67Å; L141-F237 HydrophobicContact CD1-CE1 3.75Å; Q192-F237 VanDerWaalsContact C-CE2 3.46Å; Q192-F237 VanDerWaalsContact CA-CE2 3.44Å; Q192-F237 VanDerWaalsContact N-CZ 3.31Å; I194-F237 HydrophobicContact CD1-CD2 3.87Å; I194-F237 HydrophobicContact CD1-CE2 3.79Å; L218-F237 HydrophobicContact CB-CD1 4.34Å; L218-F237 HydrophobicContact CB-CE1 3.85Å; L218-F237 HydrophobicContact CB-CE2 4.43Å; L218-F237 HydrophobicContact CB-CZ 3.9Å; L218-F237 HydrophobicContact CD2-CD2 4.29Å; L218-F237 HydrophobicContact CD2-CE2 4.37Å; L218-F237 HydrophobicContact CD2-CG 4.46Å; F237-V240 WeakPolarHBondContact O-CG1 3.08Å
238D79.7Confident65.6Low150 Ų15090.5 Ų90.580%0.80250%0.502SS*.SBendtrans-84.4-20.3177.3-60.7-46.4000112.7S236S236-D238 PolarHBondContact O-N 3.24Å; S236-D238 PolarHBondContact OG-N 2.88Å
239E81.3Confident63.3Low90 Ų9097.4 Ų97.442%0.42154%0.537SS..SBendtrans-113.171.7-176.1-64.4-168157.800110.9K136 L138 P139K136-E239 IonicContact NZ-OE2 3.48Å; K136-E239 PolarHBondContact NZ-OE2 3.47Å; L138-E239 HydrophobicContact CD2-CB 4.15Å; P139-E239 WeakPolarHBondContact CD-O 3.39Å; P139-E239 WeakPolarHBondContact CG-O 3.24Å
240V87.7Confident61Low36 Ų3697 Ų9722%0.21854%0.54CS..  trans-116.2155.1-174.6-59.20000112.7P139 L141 L218 F237 K242P139-V240 CarbonylContact O-C 3.54Å; P139-V240 VanDerWaalsContact O-CA 3.3Å; P139-V240 WeakPolarHBondContact O-CA 3.33Å; L141-V240 HydrophobicContact CB-CB 4.21Å; L141-V240 HydrophobicContact CB-CG1 4.11Å; L141-V240 HydrophobicContact CB-CG2 4.35Å; L218-V240 HydrophobicContact CD1-CG1 3.48Å; L218-V240 VanDerWaalsContact CD1-CG1 3.48Å; F237-V240 WeakPolarHBondContact O-CG1 3.08Å; V240-K242 PolarHBondContact O-N 3.47Å
241E84.3Confident58.9Low73 Ų7397.4 Ų97.434%0.34155%0.549SS..PPolyproline II helixtrans-52.8126.3170.1-68.8-173.9152.400109.7L138 P139 R140L138-E241 HydrophobicContact CB-CG 3.9Å; L138-E241 VanDerWaalsContact O-CG 3.23Å; L138-E241 WeakPolarHBondContact O-CG 3.47Å; P139-E241 PolarHBondContact O-N 3.1Å; R140-E241 IonicContact CZ-OE2 3.78Å; R140-E241 IonicContact NE-OE2 2.75Å; R140-E241 PolarHBondContact NE-OE2 3.34Å; R140-E241 IonicContact NH2-OE2 3.59Å
242K62.2Low57Low185 Ų185100.9 Ų100.980%0.80457%0.57SS**PPolyproline II helixtrans-68.5130.4168.9-66.9-175.2179.5-176.80107.5V240 L244V240-K242 PolarHBondContact O-N 3.47Å; K242-L244 PolarHBondContact O-N 2.91Å
243P54.3Low55.2Low96 Ų96102.6 Ų102.662%0.62357%0.572SS**PPolyproline II helixtrans-54.1121.4174.1-10.516.9000108.2N245P243-N245 PolarHBondContact O-N 3.1Å
244L43.6Very low53.2Low183 Ų183111.6 Ų111.696%0.95860%0.601SS**THydrogen-bonded Turntrans-655.9179.7-87.8157.5000113.2K242K242-L244 PolarHBondContact O-N 2.91Å
245N35.3Very low51.3Low153 Ų153111.4 Ų111.482%0.81861%0.612SS**THydrogen-bonded Turntrans-135.451.7-171.4-134.615.4000113.2P243P243-N245 PolarHBondContact O-N 3.1Å
246E34.1Very low48.8Very low171 Ų171119.4 Ų119.480%0.79965%0.65SS**  trans-104.573.7153-68.7-169.2179.500108.8
247G29Very low46.5Very low48 Ų48125.4 Ų125.450%0.49568%0.679SS.*  trans-60.1153.5154.500000109.1I249G247-I249 PolarHBondContact O-N 3.04Å
248P27.5Very low43.9Very low131 Ų131129.6 Ų129.685%0.85171%0.711SS**  trans-57.5116.7-176.324.4-31.5000108.7A250P248-A250 PolarHBondContact O-N 2.95Å
249I34.7Very low41.6Very low148 Ų148130 Ų13076%0.75971%0.712SS**  trans-54.6109.1164.1-64.8176000104.8G247 V251G247-I249 PolarHBondContact O-N 3.04Å; I249-V251 HydrophobicContact CG2-CG2 4.42Å; I249-V251 PolarHBondContact O-N 3.22Å
250A27.7Very low39.3Very low83 Ų83137.2 Ų137.269%0.68674%0.735SS**  trans-62.292.616600000106P248 L252P248-A250 PolarHBondContact O-N 2.95Å; A250-L252 PolarHBondContact O-N 2.93Å
251V26.6Very low36.6Very low120 Ų120140.4 Ų140.473%0.72776%0.756SS**  trans-61.892.3165.1178.80000105.1I249 S253I249-V251 HydrophobicContact CG2-CG2 4.42Å; I249-V251 PolarHBondContact O-N 3.22Å; V251-S253 PolarHBondContact O-N 3.19Å
252L31.7Very low34Very low162 Ų162142.9 Ų142.985%0.84878%0.777SS**  trans-68.884.2162.5-72.7176.6000106.8A250 R254A250-L252 PolarHBondContact O-N 2.93Å; L252-R254 PolarHBondContact O-N 3.39Å
253S27.8Very low32.5Very low97 Ų97141.3 Ų141.368%0.67878%0.777SS**  trans-57.9114.8156.957.10000108.5V251V251-S253 PolarHBondContact O-N 3.19Å
254R32.5Very low31.3Very low233 Ų233143.4 Ų143.488%0.87978%0.782SS**  trans-166.389.9151.4-106.2165.5-172.4-168.92.6106.8L252L252-R254 PolarHBondContact O-N 3.39Å
255S31.4Very low30.7Very low104 Ų104144 Ų14473%0.72778%0.78SS**  73.4107.293690000111.6N257S255-N257 PolarHBondContact O-N 2.88Å
256E28.6Very low30.4Very low191 Ų191145.8 Ų145.889%0.89378%0.781SS**  trans-43.2124.1162-62168.6128.200110.3
257N33Very low30.3Very low161 Ų161143 Ų14386%0.86178%0.78SS**  trans-155.9116143-107.3-20.6000110.9S255S255-N257 PolarHBondContact O-N 2.88Å
258S28.4Very low30.5Very low106 Ų106151.8 Ų151.874%0.74180%0.798SS**  trans-26.8137.5154-164.20000114.1
259I32.6Very low30.6Very low159 Ų159151.1 Ų151.182%0.81579%0.792SS**  trans-179.2117.1133.8-83.9145.6000108
260R32.1Very low30.3Very low241 Ų241154.2 Ų154.291%0.90979%0.794SS**  trans-80.6151.4153.7-74.7-179.3176.3-131.30.6108.3
261P31Very low30.5Very low103 Ų103157.6 Ų157.667%0.66980%0.796SS**  -152.8136.998.737.5-18000115.1
262T29.5Very low30.7Very low126 Ų126158.8 Ų158.877%0.77380%0.798SS**  72115.3110.770.20000119.2
263L30.7Very low30.5Very low152 Ų152160.1 Ų160.180%0.79680%0.799SS**  trans36.2136.8133.9-77.6157.6000123.7
264D28.8Very low30.5Very low140 Ų140159.9 Ų159.975%0.74980%0.804SS**  trans76.3119152.2-61.2-39.2000119.4
265E31.5Very low30.3Very low196 Ų196158.3 Ų158.392%0.91680%0.803SS**  -176155.189.5-154.7158.216000112.7
266K29.6Very low30.1Very low189 Ų189160.9 Ų160.982%0.82281%0.808SS**  trans-76.6169.7-168.1-81163.9168.1165.10115.5
267S31.2Very low30.1Very low113 Ų113157.4 Ų157.479%0.7981%0.805SS**  trans90.9136.1151.874.90000116.3
268R32.9Very low30Very low232 Ų232152.9 Ų152.988%0.87580%0.796SS**  cis-149.6132.128.7-66.1157.282165.93.7108.1
269V29.5Very low30.2Very low117 Ų117157.5 Ų157.571%0.70981%0.806SS**  68.4123.179.4177.10000116.2
270R28.6Very low30.5Very low214 Ų214156.2 Ų156.281%0.80880%0.8SS**  trans80.9137.8163.5-72.1161.7-167.9-156.72.4115.3
271Q31.6Very low30.6Very low154 Ų154149.6 Ų149.672%0.7279%0.791SS**  cis-176.5142.720.5-116.9165.3-7.400103.8
272N30.8Very low31.1Very low145 Ų145147.5 Ų147.578%0.77579%0.788SS**  -178.1146.367.4-93.9-27.3000109.9
273E28.2Very low31.7Very low189 Ų189148.5 Ų148.588%0.88379%0.789SS**  trans-92.6164.8156.4-73.4-175.912600110.4
274A28.2Very low32.6Very low93 Ų93143 Ų14377%0.76977%0.766SS**  trans91.6111.8165.100000117.7
275F28.9Very low33.5Very low199 Ų199142.2 Ų142.287%0.87375%0.752SS**  -158.3126.2115-131.3-102.7000112.2
276L27Very low34.8Very low159 Ų159138.3 Ų138.383%0.83274%0.742SS**  trans-82150166.5-92.9146.4000109.1
277S28.6Very low36.1Very low117 Ų117137.5 Ų137.582%0.81874%0.74SS**  trans72.2123.2167.171.20000117.5
278G30.7Very low37.5Very low66 Ų66135 Ų13568%0.6872%0.718SS**  trans154.8111.717000000111.8L280G278-L280 PolarHBondContact O-N 2.8Å
279E31.7Very low39.4Very low204 Ų204127.8 Ų127.895%0.95370%0.7SS**PPolyproline II helixtrans-53127.4171.3-70.4165.5113.200110.8
280L38.8Very low41.1Very low131 Ų131124.5 Ų124.569%0.68669%0.685SS**PPolyproline II helixtrans-97.3118.9-179.6-74.3168.5000110.5G278 A284G278-L280 PolarHBondContact O-N 2.8Å; L280-A284 HydrophobicContact CB-CB 4.16Å; L280-A284 HydrophobicContact CD1-CB 4.06Å; L280-A284 HydrophobicContact CD2-CB 4.13Å; L280-A284 HydrophobicContact CG-CB 4.35Å
281S35.7Very low43.2Very low102 Ų102117.4 Ų117.471%0.71367%0.672SS**PPolyproline II helixtrans-72.7139.9171.363.20000111.8D283S281-D283 VanDerWaalsContact C-N 3.29Å; S281-D283 PolarHBondContact O-N 3.38Å
282G41.1Very low45.2Very low59 Ų59114.5 Ų114.561%0.60866%0.659SS**THydrogen-bonded Turntrans58-62.3146.300000119.6
283D42.8Very low47.1Very low148 Ų148111.9 Ų111.979%0.79164%0.643SS**THydrogen-bonded Turntrans-122.38.4-156-62.8-27.7000113.9S281S281-D283 VanDerWaalsContact C-N 3.29Å; S281-D283 PolarHBondContact O-N 3.38Å
284A49Very low49.1Very low37 Ų37108.5 Ų108.531%0.30662%0.622SS.*SBendtrans-90.31179.700000114.7L280L280-A284 HydrophobicContact CB-CB 4.16Å; L280-A284 HydrophobicContact CD1-CB 4.06Å; L280-A284 HydrophobicContact CD2-CB 4.13Å; L280-A284 HydrophobicContact CG-CB 4.35Å
285W48.3Very low51.3Low122 Ų122109.3 Ų109.346%0.46261%0.61SS.*G310 helixtrans-82.7-13.8-175-60.4103.5000114.4H287 H296W285-H287 VanDerWaalsContact C-N 3.29Å; W285-H287 PolarHBondContact O-N 2.8Å; W285-H296 AromaticContact CH2-CD2 3.93Å; W285-H296 AromaticContact CH2-CE1 3.7Å; W285-H296 AromaticContact CH2-NE2 3.39Å; W285-H296 WeakPolarHBondContact CH2-NE2 3.2Å; W285-H296 AromaticContact CZ3-CD2 3.85Å; W285-H296 AromaticContact CZ3-NE2 3.79Å
286T58.8Low53.4Low115 Ų115103.2 Ų103.271%0.70658%0.584SS**G310 helixtrans-79.5-7-172.352.50000114.5
287H55.1Low55.4Low171 Ų171100.9 Ų100.979%0.79257%0.572SS**G310 helixtrans-117.72.9-175.9-80.8-74.6000115.1W285W285-H287 VanDerWaalsContact C-N 3.29Å; W285-H287 PolarHBondContact O-N 2.8Å
288L61.3Low57.3Low62 Ų62102.3 Ų102.333%0.32557%0.566SS.*  trans-75.4133.1175.9-98.572.8000111E292L288-E292 HydrophobicContact CB-CB 4.22Å; L288-E292 HydrophobicContact CD2-CB 3.76Å; L288-E292 HydrophobicContact CG-CB 3.84Å
289T73.9Confident58.8Low80 Ų80108.2 Ų108.249%0.49157%0.567SS.*  trans-65.4155.2170.365.10000110.3A291 E292 M293T289-A291 PolarHBondContact O-N 3.04Å; T289-E292 WeakPolarHBondContact CB-OE2 3.44Å; T289-E292 PolarHBondContact N-OE2 3.34Å; T289-E292 PolarHBondContact O-N 3.45Å; T289-E292 VanDerWaalsContact OG1-CD 3.28Å; T289-E292 WeakPolarHBondContact OG1-CG 3.41Å; T289-E292 PolarHBondContact OG1-OE2 2.82Å; T289-M293 PolarHBondContact O-N 3.49Å
290A64.4Low60.2Low48 Ų48105 Ų10540%0.39755%0.552SS.*Hα-helixtrans-57.9-25.6178.200000113.3R294A290-R294 WeakPolarHBondContact O-CB 3.36Å; A290-R294 WeakPolarHBondContact O-CG 3.37Å; A290-R294 PolarHBondContact O-N 2.91Å; A290-R294 PolarHBondContact O-NE 3.05Å
291A72.3Confident61Low65 Ų65107.2 Ų107.254%0.53756%0.556SS.*Hα-helixtrans-69-43.6173.600000111.8T289 R294 Q295T289-A291 PolarHBondContact O-N 3.04Å; A291-R294 PolarHBondContact O-N 2.89Å; A291-Q295 PolarHBondContact O-N 3.24Å; A291-Q295 VanDerWaalsContact O-N 3.16Å
292E74.7Confident61.5Low93 Ų93112 Ų11244%0.43556%0.564SS.*Hα-helixtrans-69.4-39.2180-67.2164136.600111.3L288 T289 R294 Q295 H296L288-E292 HydrophobicContact CB-CB 4.22Å; L288-E292 HydrophobicContact CD2-CB 3.76Å; L288-E292 HydrophobicContact CG-CB 3.84Å; T289-E292 WeakPolarHBondContact CB-OE2 3.44Å; T289-E292 PolarHBondContact N-OE2 3.34Å; T289-E292 PolarHBondContact O-N 3.45Å; T289-E292 VanDerWaalsContact OG1-CD 3.28Å; T289-E292 WeakPolarHBondContact OG1-CG 3.41Å; T289-E292 PolarHBondContact OG1-OE2 2.82Å; E292-R294 VanDerWaalsContact C-N 3.34Å; E292-R294 PolarHBondContact O-N 2.9Å; E292-Q295 PolarHBondContact O-N 3.24Å; E292-H296 PolarHBondContact O-N 3.38Å
293M70.1Confident61.9Low90 Ų90117 Ų11744%0.44357%0.569SS.*Hα-helixtrans-64.4-38.7176.8-157-179.4-73.200111.9T289 Q295 H296 L297T289-M293 PolarHBondContact O-N 3.49Å; M293-Q295 PolarHBondContact O-N 3.16Å; M293-H296 PolarHBondContact O-N 2.96Å; M293-L297 PolarHBondContact O-N 3.1Å
294R71Confident62.4Low117 Ų117113.4 Ų113.444%0.44255%0.55SS.*Hα-helixtrans-62.1-41.8173.1-81.8-178-84.8-129.61.8112.4A290 A291 E292 H296 Q298A290-R294 WeakPolarHBondContact O-CB 3.36Å; A290-R294 WeakPolarHBondContact O-CG 3.37Å; A290-R294 PolarHBondContact O-N 2.91Å; A290-R294 PolarHBondContact O-NE 3.05Å; A291-R294 PolarHBondContact O-N 2.89Å; E292-R294 VanDerWaalsContact C-N 3.34Å; E292-R294 PolarHBondContact O-N 2.9Å; R294-H296 VanDerWaalsContact C-N 3.31Å; R294-Q298 WeakPolarHBondContact O-CG 3.31Å; R294-Q298 PolarHBondContact O-N 3Å; R294-Q298 VanDerWaalsContact O-N 3.1Å
295Q73.7Confident62.7Low110 Ų110116 Ų11651%0.51456%0.563SS.*Hα-helixtrans-68.9-33.3178.5-143.6-179.422.400111.9A291 E292 M293 R299A291-Q295 PolarHBondContact O-N 3.24Å; A291-Q295 VanDerWaalsContact O-N 3.16Å; E292-Q295 PolarHBondContact O-N 3.24Å; M293-Q295 PolarHBondContact O-N 3.16Å; Q295-R299 PolarHBondContact O-N 2.68Å
296H72.3Confident63.2Low71 Ų71120.1 Ų120.133%0.32958%0.579SS.*Hα-helixtrans-69.1-45.3176.5-159.885.7000112.1W285 E292 M293 R294 Q298 R299 H300W285-H296 AromaticContact CH2-CD2 3.93Å; W285-H296 AromaticContact CH2-CE1 3.7Å; W285-H296 AromaticContact CH2-NE2 3.39Å; W285-H296 WeakPolarHBondContact CH2-NE2 3.2Å; W285-H296 AromaticContact CZ3-CD2 3.85Å; W285-H296 AromaticContact CZ3-NE2 3.79Å; E292-H296 PolarHBondContact O-N 3.38Å; M293-H296 PolarHBondContact O-N 2.96Å; R294-H296 VanDerWaalsContact C-N 3.31Å; H296-Q298 PolarHBondContact O-N 3.16Å; H296-R299 PolarHBondContact O-N 3.31Å; H296-H300 AromaticContact NE2-CD2 3.77Å; H296-H300 AromaticContact NE2-NE2 3.94Å; H296-H300 PolarHBondContact O-N 2.86Å
297L69.9Low63.2Low111 Ų111122 Ų12258%0.58158%0.584SS**Hα-helixtrans-67.1-33177.4-75.1165.5000113.1M293 R299 H300 K301M293-L297 PolarHBondContact O-N 3.1Å; L297-R299 VanDerWaalsContact C-N 3.3Å; L297-R299 PolarHBondContact O-N 2.79Å; L297-H300 PolarHBondContact O-N 2.85Å; L297-K301 PolarHBondContact O-N 3.45Å
298Q67.5Low63.2Low147 Ų147119.6 Ų119.669%0.68757%0.574SS**Hα-helixtrans-64.9-33.4173.8-78.2179.62.800112.6R294 H296 H300R294-Q298 WeakPolarHBondContact O-CG 3.31Å; R294-Q298 PolarHBondContact O-N 3Å; R294-Q298 VanDerWaalsContact O-N 3.1Å; H296-Q298 PolarHBondContact O-N 3.16Å; Q298-H300 VanDerWaalsContact C-N 3.33Å
299R63.2Low62.6Low189 Ų189126.1 Ų126.171%0.71360%0.603SS**Hα-helixtrans-72.1-26.3176.6-78.3-174.6169.9112.9-3.6113.4Q295 H296 L297Q295-R299 PolarHBondContact O-N 2.68Å; H296-R299 PolarHBondContact O-N 3.31Å; L297-R299 VanDerWaalsContact C-N 3.3Å; L297-R299 PolarHBondContact O-N 2.79Å
300H60Low62Low136 Ų136124.7 Ų124.763%0.6359%0.592SS**Hα-helixtrans-103.70.9-175.3-81.7-86.1000115.1H296 L297 Q298 K302H296-H300 AromaticContact NE2-CD2 3.77Å; H296-H300 AromaticContact NE2-NE2 3.94Å; H296-H300 PolarHBondContact O-N 2.86Å; L297-H300 PolarHBondContact O-N 2.85Å; Q298-H300 VanDerWaalsContact C-N 3.33Å; H300-K302 PolarHBondContact O-N 3.22Å
301K55.5Low62.2Low178 Ų178125.6 Ų125.677%0.77460%0.595SS**  trans-65.3105.3172.3-91.3-173.7174.6-177.50110.2L297 F303L297-K301 PolarHBondContact O-N 3.45Å; K301-F303 PolarHBondContact O-N 3.28Å
302K46.7Very low62Low202 Ų202128.9 Ų128.988%0.87860%0.601SS**  trans-55.4127.9166.7-80.3179.8176176.40109.1H300 D304H300-K302 PolarHBondContact O-N 3.22Å; K302-D304 PolarHBondContact O-N 3.35Å
303F48.9Very low62Low166 Ų166132.3 Ų132.373%0.72862%0.617SS**  trans-59113.7177.2179-97.5000110.6K301 P305K301-F303 PolarHBondContact O-N 3.28Å; F303-P305 HydrophobicContact CE1-CB 3.97Å; F303-P305 WeakPolarHBondContact O-CD 3.49Å
304D53.6Low62.1Low72 Ų72133.5 Ų133.539%0.38562%0.62SS.*  trans-93.9110.4168.1-167.7-33.4000108.8K302 R306 N307K302-D304 PolarHBondContact O-N 3.35Å; D304-R306 PolarHBondContact O-N 3.08Å; D304-R306 WeakPolarHBondContact OD1-CB 3.36Å; D304-R306 IonicContact OD1-CZ 3.8Å; D304-R306 PolarHBondContact OD1-N 2.89Å; D304-R306 IonicContact OD1-NE 3.68Å; D304-R306 PolarHBondContact OD1-NE 2.83Å; D304-R306 VanDerWaalsContact OD1-NE 3.12Å; D304-R306 IonicContact OD1-NH2 2.78Å; D304-R306 IonicContact OD2-CZ 3.73Å; D304-R306 IonicContact OD2-NE 2.59Å; D304-R306 IonicContact OD2-NH2 2.95Å; D304-R306 PolarHBondContact OD2-NH2 2.84Å; D304-N307 PolarHBondContact O-N 3.2Å
305P56.3Low62.3Low90 Ų90133.6 Ų133.658%0.58462%0.623SS**G310 helixtrans-62.8-13.3-177.423.1-31.4000113.9F303 N307F303-P305 HydrophobicContact CE1-CB 3.97Å; F303-P305 WeakPolarHBondContact O-CD 3.49Å; P305-N307 VanDerWaalsContact C-N 3.33Å
306R57.3Low62.2Low210 Ų210136.4 Ų136.479%0.79263%0.63SS**G310 helixtrans-78.5-15.8178.3-67.3172.5-72.6-176.80.4113.8D304 Q308D304-R306 PolarHBondContact O-N 3.08Å; D304-R306 WeakPolarHBondContact OD1-CB 3.36Å; D304-R306 IonicContact OD1-CZ 3.8Å; D304-R306 PolarHBondContact OD1-N 2.89Å; D304-R306 IonicContact OD1-NE 3.68Å; D304-R306 PolarHBondContact OD1-NE 2.83Å; D304-R306 VanDerWaalsContact OD1-NE 3.12Å; D304-R306 IonicContact OD1-NH2 2.78Å; D304-R306 IonicContact OD2-CZ 3.73Å; D304-R306 IonicContact OD2-NE 2.59Å; D304-R306 IonicContact OD2-NH2 2.95Å; D304-R306 PolarHBondContact OD2-NH2 2.84Å; R306-Q308 VanDerWaalsContact C-N 3.3Å; R306-Q308 PolarHBondContact O-N 3.42Å
307N59.8Low62.1Low153 Ų153138.9 Ų138.982%0.81864%0.642SS**G310 helixtrans-89.66.3-176.5-131.88.1000113.6D304 P305 Q309D304-N307 PolarHBondContact O-N 3.2Å; P305-N307 VanDerWaalsContact C-N 3.33Å; N307-Q309 PolarHBondContact O-N 3Å
308Q55.6Low62.2Low121 Ų121138 Ų13857%0.56564%0.637SS**  trans-86.2105.8175.4-155.717540.700110.1R306 L310R306-Q308 VanDerWaalsContact C-N 3.3Å; R306-Q308 PolarHBondContact O-N 3.42Å; Q308-L310 VanDerWaalsContact C-N 3.27Å; Q308-L310 HydrophobicContact CG-CG 4.27Å; Q308-L310 PolarHBondContact O-N 2.96Å
309Q48.8Very low62.3Low200 Ų200134 Ų13494%0.93563%0.63SS**  trans-71.186.4170.9-156.1176.4-12.500108.8N307N307-Q309 PolarHBondContact O-N 3Å
310L59.8Low62.5Low49 Ų49132.5 Ų132.526%0.25763%0.631SS.*  trans-76.5136.1176-75.1154.1000110.3Q308 K314 K315 I318Q308-L310 VanDerWaalsContact C-N 3.27Å; Q308-L310 HydrophobicContact CG-CG 4.27Å; Q308-L310 PolarHBondContact O-N 2.96Å; L310-K314 HydrophobicContact CB-CB 4.48Å; L310-K314 HydrophobicContact CD2-CB 3.96Å; L310-K314 HydrophobicContact CD2-CD 3.69Å; L310-K314 HydrophobicContact CD2-CG 4.44Å; L310-K315 HydrophobicContact CB-CG 4.17Å; L310-K315 WeakPolarHBondContact O-CE 3.26Å; L310-I318 HydrophobicContact CD1-CD1 4.39Å
311S68.1Low62.6Low67 Ų67132.8 Ų132.847%0.46964%0.637SS.*  trans-59.7150.9172.163.50000110.7E313 K314 K315S311-E313 PolarHBondContact O-N 3.22Å; S311-K314 PolarHBondContact O-N 3.32Å; S311-K315 PolarHBondContact O-N 2.95Å
312M68.7Low62.2Low134 Ų134133.7 Ų133.766%0.6665%0.649SS**Hα-helixtrans-56.2-33.5-179-74.9-67.2-7500112.7K315 Y316M312-K315 PolarHBondContact O-N 3.15Å; M312-K315 HydrophobicContact SD-CD 4.36Å; M312-Y316 PolarHBondContact O-N 3.28Å; M312-Y316 VanDerWaalsContact O-N 3.11Å
313E75.7Confident63Low165 Ų165130.3 Ų130.377%0.77164%0.638SS**Hα-helixtrans-58.8-50.4172.9-96.5167.515700112.6S311 K315 Y316 E317S311-E313 PolarHBondContact O-N 3.22Å; E313-K315 VanDerWaalsContact C-N 3.27Å; E313-K315 PolarHBondContact O-N 3.5Å; E313-Y316 PolarHBondContact O-N 3.36Å; E313-Y316 VanDerWaalsContact O-N 3.14Å; E313-E317 PolarHBondContact O-N 3.06Å
314K72.2Confident63.7Low116 Ų116128.4 Ų128.450%0.50463%0.633SS.*Hα-helixtrans-65-31.4178.6-91.1-178.2174.2177.60112.8L310 S311 E317 I318L310-K314 HydrophobicContact CB-CB 4.48Å; L310-K314 HydrophobicContact CD2-CB 3.96Å; L310-K314 HydrophobicContact CD2-CD 3.69Å; L310-K314 HydrophobicContact CD2-CG 4.44Å; S311-K314 PolarHBondContact O-N 3.32Å; K314-E317 PolarHBondContact O-N 3.39Å; K314-I318 WeakPolarHBondContact O-CD1 3.43Å; K314-I318 VanDerWaalsContact O-CG1 3.28Å; K314-I318 WeakPolarHBondContact O-CG1 3.35Å; K314-I318 PolarHBondContact O-N 3.23Å; K314-I318 VanDerWaalsContact O-N 3.17Å
315K75.1Confident64.3Low118 Ų118131.6 Ų131.651%0.51365%0.647SS.*Hα-helixtrans-66.5-38.8174.6-68.6-177.5179.2-179.50111.8L310 S311 M312 E313 A319L310-K315 HydrophobicContact CB-CG 4.17Å; L310-K315 WeakPolarHBondContact O-CE 3.26Å; S311-K315 PolarHBondContact O-N 2.95Å; M312-K315 PolarHBondContact O-N 3.15Å; M312-K315 HydrophobicContact SD-CD 4.36Å; E313-K315 VanDerWaalsContact C-N 3.27Å; E313-K315 PolarHBondContact O-N 3.5Å; K315-A319 PolarHBondContact O-N 2.78Å
316Y70.2Confident64.8Low169 Ų169134 Ų13466%0.66365%0.65SS**Hα-helixtrans-67.4-39.7175.9-110.3-84.7000112.4M312 E313 I318 A319 Q320M312-Y316 PolarHBondContact O-N 3.28Å; M312-Y316 VanDerWaalsContact O-N 3.11Å; E313-Y316 PolarHBondContact O-N 3.36Å; E313-Y316 VanDerWaalsContact O-N 3.14Å; Y316-I318 PolarHBondContact O-N 2.66Å; Y316-A319 PolarHBondContact O-N 3.32Å; Y316-Q320 PolarHBondContact O-N 2.98Å; Y316-Q320 VanDerWaalsContact O-N 3.16Å
317E71.1Confident65.2Low123 Ų123129.3 Ų129.358%0.57564%0.641SS**Hα-helixtrans-64.8-37.5178.2-127176.8-176.300112.8E313 K314 N321E313-E317 PolarHBondContact O-N 3.06Å; K314-E317 PolarHBondContact O-N 3.39Å; E317-N321 PolarHBondContact O-ND2 3Å; E317-N321 VanDerWaalsContact O-ND2 3.12Å
318I72.6Confident65.6Low92 Ų92127.7 Ų127.747%0.47263%0.63SS.*Hα-helixtrans-69.6-35.7175.7-66.5166.2000110.7L310 K314 Y316 N321 L322L310-I318 HydrophobicContact CD1-CD1 4.39Å; K314-I318 WeakPolarHBondContact O-CD1 3.43Å; K314-I318 VanDerWaalsContact O-CG1 3.28Å; K314-I318 WeakPolarHBondContact O-CG1 3.35Å; K314-I318 PolarHBondContact O-N 3.23Å; K314-I318 VanDerWaalsContact O-N 3.17Å; Y316-I318 PolarHBondContact O-N 2.66Å; I318-N321 PolarHBondContact O-N 3.11Å; I318-L322 HydrophobicContact CG2-CD1 4.26Å
319A69Low66.3Low65 Ų65128.1 Ų128.154%0.53763%0.634SS.*Hα-helixtrans-73.6-22.3179.800000114K315 Y316K315-A319 PolarHBondContact O-N 2.78Å; Y316-A319 PolarHBondContact O-N 3.32Å
320Q67Low67.7Low157 Ų157122.6 Ų122.673%0.73461%0.611SS**Hα-helixtrans-83.7-13.3175.3-79.6-166.3-23.700114.1Y316Y316-Q320 PolarHBondContact O-N 2.98Å; Y316-Q320 VanDerWaalsContact O-N 3.16Å
321N62.4Low68.3Low141 Ų141128.8 Ų128.875%0.75464%0.641SS**  trans-108.716.5-177.9-72.6-48.5000113.3E317 I318E317-N321 PolarHBondContact O-ND2 3Å; E317-N321 VanDerWaalsContact O-ND2 3.12Å; I318-N321 PolarHBondContact O-N 3.11Å
322L47.8Very low68.3Low198 Ų198134.4 Ų134.4100%1.03766%0.656SS**  trans-116.80172.5-79.6165.1000109.8I318I318-L322 HydrophobicContact CG2-CD1 4.26Å

Retrieved 322 of 322 residues in 68.9 ms (Link to these results)

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