A0A093J2T6_STRCA Loading...

Core histone macro-H2A

Variant histone H2A which replaces conventional H2A in a subset of nucleosomes.

AlphaFold DB , UniProt , Accession A0A093J2T6, Species STRCA (Struthio camelus australis), Gene n/a, Length 372 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
1M49.4Very low55.9Low248 Ų248160.7 Ų160.7100%1.22287%0.871SS**  0125.50-71.1168.379.800109.3
2S46Very low58Low111 Ų111164.5 Ų164.578%0.77687%0.873SS**  trans163.682.1140.6-172.80000108.8R4S2-R4 PolarHBondContact O-N 3.33Å
3G45.3Very low60.1Low77 Ų77160.4 Ų160.479%0.79485%0.851SS**  trans-73.2100.5167.800000108.8S5G3-S5 VanDerWaalsContact C-N 3.33Å; G3-S5 PolarHBondContact O-N 2.89Å
4R52.7Low62.3Low242 Ų242153.5 Ų153.591%0.91382%0.822SS**  trans-78.587.3173.1-137.2176-171.1173.12.4108.1S2 G6S2-R4 PolarHBondContact O-N 3.33Å; R4-G6 PolarHBondContact O-N 3.35Å; R4-G6 VanDerWaalsContact O-N 3.1Å
5S51.8Low64.1Low111 Ų111154.3 Ų154.378%0.77681%0.809SS**  trans-62.5108.7171.644.80000109.4G3 K7G3-S5 VanDerWaalsContact C-N 3.33Å; G3-S5 PolarHBondContact O-N 2.89Å; S5-K7 PolarHBondContact O-N 3.08Å
6G57.4Low66Low76 Ų76145.9 Ų145.978%0.78477%0.767SS**  trans-64.7105.8172.600000109.8R4 K8R4-G6 PolarHBondContact O-N 3.35Å; R4-G6 VanDerWaalsContact O-N 3.1Å; G6-K8 PolarHBondContact O-N 2.9Å; G6-K8 VanDerWaalsContact O-N 3.13Å
7K58.6Low67.6Low203 Ų203141 Ų14188%0.88375%0.747SS**  trans-53.2119.6167.1-92.8179175.2173.50108.6S5 K9S5-K7 PolarHBondContact O-N 3.08Å; K7-K9 PolarHBondContact O-N 3.22Å
8K61.3Low69Low204 Ų204143.7 Ų143.789%0.88775%0.746SS**  trans-49.1115.3166.7-103.8178.7177.2173.70108G6 M10G6-K8 PolarHBondContact O-N 2.9Å; G6-K8 VanDerWaalsContact O-N 3.13Å; K8-M10 PolarHBondContact O-N 3.2Å
9K61Low70.2Confident209 Ų209138.3 Ų138.391%0.90972%0.724SS**  trans-61.4105.2171-86.3-179.5177.1172.90107.7K7 S11K7-K9 PolarHBondContact O-N 3.22Å; K9-S11 PolarHBondContact O-N 3.04Å
10M63.9Low71.4Confident178 Ų178134.9 Ų134.988%0.87772%0.724SS**  trans-58126.2167.6-76.8174.262.800108.6K8 K12K8-M10 PolarHBondContact O-N 3.2Å; M10-K12 PolarHBondContact O-N 3.04Å
11S67.5Low72.5Confident109 Ų109129.5 Ų129.576%0.76270%0.696SS**  trans-61.9127.1177.5920000108.7K9 L13K9-S11 PolarHBondContact O-N 3.04Å; S11-L13 PolarHBondContact O-N 3.15Å; S11-L13 VanDerWaalsContact O-N 3.13Å
12K80.8Confident74.7Confident206 Ų206124.8 Ų124.890%0.89667%0.674SS**  trans-67.8114176.5-74.2-178.8179.3177.10108M10 S14M10-K12 PolarHBondContact O-N 3.04Å; K12-S14 PolarHBondContact O-N 3.19Å
13L85.9Confident77Confident111 Ų111122.4 Ų122.458%0.58165%0.65SS**  trans-51133.6169.5-82.9145.4000110S11S11-L13 PolarHBondContact O-N 3.15Å; S11-L13 VanDerWaalsContact O-N 3.13Å
14S90.6Very high79.5Confident64 Ų64120.5 Ų120.545%0.44862%0.624SS.*  trans-65.3159.3175.679.40000110.9K12 S16 S17 R18K12-S14 PolarHBondContact O-N 3.19Å; S14-S16 VanDerWaalsContact C-N 3.29Å; S14-S16 PolarHBondContact O-N 2.94Å; S14-S17 PolarHBondContact N-OG 2.88Å; S14-S17 PolarHBondContact O-N 3.46Å; S14-S17 PolarHBondContact O-OG 2.81Å; S14-S17 WeakPolarHBondContact OG-CB 3.43Å; S14-S17 PolarHBondContact OG-N 3.29Å; S14-S17 PolarHBondContact OG-OG 3.5Å; S14-R18 WeakPolarHBondContact O-CB 3.43Å; S14-R18 PolarHBondContact O-N 2.89Å
15R90Very high81.6Confident166 Ų166109.1 Ų109.163%0.62658%0.581SS**Hα-helixtrans-63.4-36.8175.7-66.2-176.6-175.1177.30.6112.1A19 V25R15-A19 VanDerWaalsContact O-CB 3.29Å; R15-A19 WeakPolarHBondContact O-CB 3.41Å; R15-A19 PolarHBondContact O-N 3.31Å; R15-V25 HydrophobicContact CB-CB 4.18Å; R15-V25 HydrophobicContact CB-CG1 4.08Å
16S94.2Very high83.6Confident19 Ų19105.8 Ų105.813%0.13356%0.564CS.*Hα-helixtrans-64.7-51.3175.4-67.70000111.7S14 R18 A19 G20 V21 F23 P24 V25S14-S16 VanDerWaalsContact C-N 3.29Å; S14-S16 PolarHBondContact O-N 2.94Å; S16-R18 VanDerWaalsContact C-N 3.26Å; S16-R18 PolarHBondContact O-N 2.84Å; S16-A19 CarbonylContact O-C 3.52Å; S16-A19 WeakPolarHBondContact O-CA 3.21Å; S16-A19 PolarHBondContact O-N 3.02Å; S16-G20 PolarHBondContact O-N 3.38Å; S16-V21 PolarHBondContact O-N 3.44Å; S16-F23 PolarHBondContact OG-O 3.41Å; S16-P24 WeakPolarHBondContact OG-CA 3.35Å; S16-V25 PolarHBondContact OG-N 2.99Å
17S93.5Very high85.4Confident63 Ų63108.3 Ų108.344%0.44155%0.55SS.*Hα-helixtrans-62.4-32.7178.560.80000112.8S14S14-S17 PolarHBondContact N-OG 2.88Å; S14-S17 PolarHBondContact O-N 3.46Å; S14-S17 PolarHBondContact O-OG 2.81Å; S14-S17 WeakPolarHBondContact OG-CB 3.43Å; S14-S17 PolarHBondContact OG-N 3.29Å; S14-S17 PolarHBondContact OG-OG 3.5Å
18R91.6Very high87.2Confident190 Ų19099.8 Ų99.872%0.71751%0.514SS*.Hα-helixtrans-71.5-31.9174-172.1179-65.3174.7-2.5112.5S14 S16S14-R18 WeakPolarHBondContact O-CB 3.43Å; S14-R18 PolarHBondContact O-N 2.89Å; S16-R18 VanDerWaalsContact C-N 3.26Å; S16-R18 PolarHBondContact O-N 2.84Å
19A92.6Very high88.7Confident40 Ų4091.3 Ų91.333%0.33148%0.477SS..Hα-helixtrans-86.8-5.4179.100000113.6R15 S16 V21 V25 V47R15-A19 VanDerWaalsContact O-CB 3.29Å; R15-A19 WeakPolarHBondContact O-CB 3.41Å; R15-A19 PolarHBondContact O-N 3.31Å; S16-A19 CarbonylContact O-C 3.52Å; S16-A19 WeakPolarHBondContact O-CA 3.21Å; S16-A19 PolarHBondContact O-N 3.02Å; A19-V21 VanDerWaalsContact C-N 3.32Å; A19-V21 HydrophobicContact CB-CG2 4.1Å; A19-V21 PolarHBondContact O-N 3.12Å; A19-V25 HydrophobicContact CB-CG2 4.38Å; A19-V47 HydrophobicContact CB-CG1 3.75Å; A19-V47 HydrophobicContact CB-CG2 4.15Å
20G94.1Very high90.3Very high70 Ų7088.6 Ų88.672%0.72246%0.461SS*.THydrogen-bonded Turntrans72.120.6179.200000114.9S16S16-G20 PolarHBondContact O-N 3.38Å
21V94.9Very high91.8Very high22 Ų2286.2 Ų86.213%0.13344%0.444CS..  trans-113.5144-179.4-64.80000111.1S16 A19 V25 A50 A51 E54S16-V21 PolarHBondContact O-N 3.44Å; A19-V21 VanDerWaalsContact C-N 3.32Å; A19-V21 HydrophobicContact CB-CG2 4.1Å; A19-V21 PolarHBondContact O-N 3.12Å; V21-V25 HydrophobicContact CG2-CG2 3.52Å; V21-A50 HydrophobicContact CG2-CB 4.26Å; V21-A51 HydrophobicContact CG1-CB 4.17Å; V21-E54 WeakPolarHBondContact CB-OE2 3.41Å
22I94.9Very high93Very high150 Ų15082.9 Ų82.977%0.76942%0.417SS*.SBendtrans-72.1-37.4174.1-61.6175.7000110.3E54I22-E54 WeakPolarHBondContact CA-OE2 3.34Å; I22-E54 VanDerWaalsContact N-CD 3.32Å; I22-E54 PolarHBondContact N-OE1 2.87Å; I22-E54 VanDerWaalsContact N-OE1 3.09Å; I22-E54 PolarHBondContact N-OE2 2.93Å
23F95.3Very high93.5Very high61 Ų6179.2 Ų79.227%0.26840%0.401SS..SBendtrans-69147.6-175.5-89.352.8000112.1S16 V25 M28 A50 I53 E54 A57S16-F23 PolarHBondContact OG-O 3.41Å; F23-V25 PolarHBondContact O-N 3.04Å; F23-M28 HydrophobicContact CD2-CE 4.04Å; F23-A50 HydrophobicContact CB-CB 4.17Å; F23-I53 HydrophobicContact CD2-CB 4.32Å; F23-I53 HydrophobicContact CD2-CG2 3.81Å; F23-I53 HydrophobicContact CE2-CB 4.39Å; F23-I53 HydrophobicContact CE2-CG2 3.46Å; F23-I53 VanDerWaalsContact CE2-CG2 3.46Å; F23-I53 HydrophobicContact CZ-CG2 4.42Å; F23-E54 HydrophobicContact CB-CB 4.26Å; F23-E54 WeakPolarHBondContact CB-OE2 3.23Å; F23-E54 HydrophobicContact CD1-CB 3.75Å; F23-E54 HydrophobicContact CD1-CG 3.82Å; F23-E54 HydrophobicContact CE1-CB 4.26Å; F23-E54 HydrophobicContact CE1-CG 4.27Å; F23-E54 HydrophobicContact CG-CB 3.98Å; F23-E54 HydrophobicContact CG-CG 4.49Å; F23-E54 PolarHBondContact N-OE2 3.01Å; F23-A57 HydrophobicContact CE1-CB 4.38Å; F23-A57 HydrophobicContact CZ-CB 3.82Å
24P96.3Very high93.8Very high37 Ų3782.5 Ų82.524%0.2441%0.411CS..  trans-79.794.3-170.129.9-34.3000112.8S16 G26 R27 M28S16-P24 WeakPolarHBondContact OG-CA 3.35Å; P24-G26 VanDerWaalsContact C-N 3.27Å; P24-G26 PolarHBondContact O-N 3.36Å; P24-R27 HydrophobicContact CB-CB 3.88Å; P24-R27 HydrophobicContact CG-CB 3.89Å; P24-R27 WeakPolarHBondContact O-CB 3.43Å; P24-R27 PolarHBondContact O-N 3.44Å; P24-M28 PolarHBondContact O-N 3.27Å; P24-M28 VanDerWaalsContact O-N 3.11Å
25V96.7Very high93.5Very high2 Ų282.4 Ų82.41%0.01242%0.42CS..Hα-helixtrans-54.5-41177.9176.30000112R15 S16 A19 V21 F23 R27 M28 M29 P46 V47 A50R15-V25 HydrophobicContact CB-CB 4.18Å; R15-V25 HydrophobicContact CB-CG1 4.08Å; S16-V25 PolarHBondContact OG-N 2.99Å; A19-V25 HydrophobicContact CB-CG2 4.38Å; V21-V25 HydrophobicContact CG2-CG2 3.52Å; F23-V25 PolarHBondContact O-N 3.04Å; V25-R27 VanDerWaalsContact C-N 3.28Å; V25-R27 PolarHBondContact O-N 2.88Å; V25-M28 PolarHBondContact O-N 3.3Å; V25-M29 PolarHBondContact O-N 2.65Å; V25-P46 HydrophobicContact CG1-CB 3.99Å; V25-P46 HydrophobicContact CG1-CG 4.15Å; V25-V47 HydrophobicContact CG1-CG2 3.77Å; V25-V47 HydrophobicContact CG2-CG2 4.42Å; V25-A50 HydrophobicContact CG2-CB 3.9Å
26G94.8Very high93.4Very high42 Ų4276.6 Ų76.643%0.43340%0.403SS..Hα-helixtrans-62.3-35.1178.200000113.2P24 R30P24-G26 VanDerWaalsContact C-N 3.27Å; P24-G26 PolarHBondContact O-N 3.36Å; G26-R30 PolarHBondContact O-N 2.86Å
27R95.4Very high92.9Very high129 Ų12985.4 Ų85.449%0.48744%0.435SS..Hα-helixtrans-71.5-42.3176.4-170.2-176.6-61.4156.41.9110.6P24 V25 M29 R30 Y31P24-R27 HydrophobicContact CB-CB 3.88Å; P24-R27 HydrophobicContact CG-CB 3.89Å; P24-R27 WeakPolarHBondContact O-CB 3.43Å; P24-R27 PolarHBondContact O-N 3.44Å; V25-R27 VanDerWaalsContact C-N 3.28Å; V25-R27 PolarHBondContact O-N 2.88Å; R27-M29 VanDerWaalsContact C-N 3.33Å; R27-M29 PolarHBondContact O-N 2.71Å; R27-R30 WeakPolarHBondContact O-CB 3.15Å; R27-R30 PolarHBondContact O-N 2.84Å; R27-R30 VanDerWaalsContact O-N 3.14Å; R27-Y31 HydrophobicContact CG-CD2 4.3Å; R27-Y31 HydrophobicContact CG-CE1 4.36Å; R27-Y31 HydrophobicContact CG-CE2 3.77Å; R27-Y31 PolarHBondContact O-N 3.07Å
28M95.3Very high92.8Very high23 Ų2389.5 Ų89.511%0.11345%0.445CS..Hα-helixtrans-59.4-43.5175.7-61.1-48.8177.400111.5F23 P24 V25 R30 Y31 L32 P46 A50 I53F23-M28 HydrophobicContact CD2-CE 4.04Å; P24-M28 PolarHBondContact O-N 3.27Å; P24-M28 VanDerWaalsContact O-N 3.11Å; V25-M28 PolarHBondContact O-N 3.3Å; M28-R30 VanDerWaalsContact C-N 3.29Å; M28-R30 PolarHBondContact O-N 2.84Å; M28-Y31 PolarHBondContact O-N 3.19Å; M28-Y31 VanDerWaalsContact O-N 3.15Å; M28-Y31 HydrophobicContact SD-CD2 4.47Å; M28-L32 WeakPolarHBondContact O-CG 3.41Å; M28-L32 PolarHBondContact O-N 3.21Å; M28-P46 HydrophobicContact CB-CB 4.14Å; M28-A50 HydrophobicContact CG-CB 4.06Å; M28-I53 HydrophobicContact CE-CD1 3.81Å; M28-I53 HydrophobicContact SD-CD1 4.18Å
29M94.7Very high92.7Very high26 Ų2687.5 Ų87.513%0.12844%0.438CS..Hα-helixtrans-58.3-41.5175.5-173.765-176.400112.5V25 R27 K33 I41 P46V25-M29 PolarHBondContact O-N 2.65Å; R27-M29 VanDerWaalsContact C-N 3.33Å; R27-M29 PolarHBondContact O-N 2.71Å; M29-K33 HydrophobicContact CE-CD 4.45Å; M29-K33 VanDerWaalsContact CE-CE 3.48Å; M29-K33 HydrophobicContact CE-CG 4.39Å; M29-K33 WeakPolarHBondContact O-CG 3.44Å; M29-K33 PolarHBondContact O-N 3.02Å; M29-I41 HydrophobicContact CE-CB 3.68Å; M29-I41 HydrophobicContact CE-CD1 4.43Å; M29-I41 HydrophobicContact CE-CG2 3.65Å; M29-I41 HydrophobicContact SD-CB 4.26Å; M29-I41 HydrophobicContact SD-CG2 3.57Å; M29-I41 VanDerWaalsContact SD-CG2 3.57Å; M29-P46 HydrophobicContact CB-CB 3.74Å; M29-P46 HydrophobicContact CB-CG 4.04Å; M29-P46 HydrophobicContact CG-CG 4.4Å; M29-P46 HydrophobicContact SD-CB 4.16Å; M29-P46 HydrophobicContact SD-CG 3.68Å
30R94.3Very high92.7Very high152 Ų15297.5 Ų97.557%0.57447%0.467SS*.Hα-helixtrans-65.7-40.4177.9-173.8-178.565.2-157.73.8111.5G26 R27 M28 K33 K34G26-R30 PolarHBondContact O-N 2.86Å; R27-R30 WeakPolarHBondContact O-CB 3.15Å; R27-R30 PolarHBondContact O-N 2.84Å; R27-R30 VanDerWaalsContact O-N 3.14Å; M28-R30 VanDerWaalsContact C-N 3.29Å; M28-R30 PolarHBondContact O-N 2.84Å; R30-K33 PolarHBondContact O-N 2.94Å; R30-K34 PolarHBondContact O-N 3.4Å; R30-K34 VanDerWaalsContact O-N 3.11Å
31Y94.1Very high92.7Very high128 Ų12895.8 Ų95.850%0.50244%0.441SS..Hα-helixtrans-68-42.9177.2-67.4-19.8000112.6R27 M28 K33 K34 G35R27-Y31 HydrophobicContact CG-CD2 4.3Å; R27-Y31 HydrophobicContact CG-CE1 4.36Å; R27-Y31 HydrophobicContact CG-CE2 3.77Å; R27-Y31 PolarHBondContact O-N 3.07Å; M28-Y31 PolarHBondContact O-N 3.19Å; M28-Y31 VanDerWaalsContact O-N 3.15Å; M28-Y31 HydrophobicContact SD-CD2 4.47Å; Y31-K33 VanDerWaalsContact C-N 3.33Å; Y31-K33 PolarHBondContact O-N 3.35Å; Y31-K34 PolarHBondContact O-N 3.41Å; Y31-K34 VanDerWaalsContact O-N 3.13Å; Y31-G35 PolarHBondContact O-N 2.73Å; Y31-G35 VanDerWaalsContact O-N 3.11Å
32L92.7Very high92.6Very high40 Ų4096.9 Ų96.921%0.20946%0.457CS..Hα-helixtrans-56.3-49.5172.6-70.6171.7000110.4M28 K34 G35 T36 I41 A45 P46 M49M28-L32 WeakPolarHBondContact O-CG 3.41Å; M28-L32 PolarHBondContact O-N 3.21Å; L32-K34 VanDerWaalsContact C-N 3.26Å; L32-K34 PolarHBondContact O-N 2.95Å; L32-G35 PolarHBondContact O-N 3Å; L32-G35 VanDerWaalsContact O-N 3.14Å; L32-T36 PolarHBondContact O-N 3.25Å; L32-T36 PolarHBondContact O-OG1 2.95Å; L32-I41 HydrophobicContact CB-CD1 3.76Å; L32-I41 HydrophobicContact CB-CG2 4.46Å; L32-I41 HydrophobicContact CD1-CG2 4.19Å; L32-A45 HydrophobicContact CD1-CB 4.16Å; L32-P46 HydrophobicContact CD1-CB 4.15Å; L32-M49 HydrophobicContact CD1-CG 4.19Å; L32-M49 HydrophobicContact CD2-CG 4.26Å
33K91.9Very high92.4Very high129 Ų12996.3 Ų96.356%0.56146%0.46SS*.Hα-helixtrans-57-36.8177-78.1-175.6176.6-161.60113.8M29 R30 Y31 I41M29-K33 HydrophobicContact CE-CD 4.45Å; M29-K33 VanDerWaalsContact CE-CE 3.48Å; M29-K33 HydrophobicContact CE-CG 4.39Å; M29-K33 WeakPolarHBondContact O-CG 3.44Å; M29-K33 PolarHBondContact O-N 3.02Å; R30-K33 PolarHBondContact O-N 2.94Å; Y31-K33 VanDerWaalsContact C-N 3.33Å; Y31-K33 PolarHBondContact O-N 3.35Å; K33-I41 HydrophobicContact CB-CD1 4.15Å; K33-I41 HydrophobicContact CG-CD1 3.52Å; K33-I41 VanDerWaalsContact N-CD1 3.34Å
34K92.1Very high92.4Very high180 Ų18095.5 Ų95.578%0.78347%0.469SS*.Hα-helixtrans-69.8-37.8179.8-168.6178.5178.9-1760112R30 Y31 L32R30-K34 PolarHBondContact O-N 3.4Å; R30-K34 VanDerWaalsContact O-N 3.11Å; Y31-K34 PolarHBondContact O-N 3.41Å; Y31-K34 VanDerWaalsContact O-N 3.13Å; L32-K34 VanDerWaalsContact C-N 3.26Å; L32-K34 PolarHBondContact O-N 2.95Å
35G84.1Confident92.4Very high62 Ų6295.7 Ų95.764%0.63947%0.474SS*.Hα-helixtrans-88.5-19.2-178.200000115Y31 L32Y31-G35 PolarHBondContact O-N 2.73Å; Y31-G35 VanDerWaalsContact O-N 3.11Å; L32-G35 PolarHBondContact O-N 3Å; L32-G35 VanDerWaalsContact O-N 3.14Å
36T89Confident92.3Very high43 Ų4395.7 Ų95.726%0.26447%0.474SS..  trans-131.445.8-171.670.30000112.8L32 K38 Y39L32-T36 PolarHBondContact O-N 3.25Å; L32-T36 PolarHBondContact O-OG1 2.95Å; T36-K38 PolarHBondContact O-N 3.47Å; T36-Y39 PolarHBondContact O-N 2.94Å
37Y83.9Confident92.4Very high204 Ų20496 Ų9680%0.847%0.468SS*.THydrogen-bonded Turntrans-54.7-26.8-176.458.2-92.2000114.1
38K90.3Very high92.5Very high150 Ų15097.7 Ų97.765%0.65248%0.475SS*.THydrogen-bonded Turntrans-76-15.4177.362.7175.6171.7169.10115.1T36T36-K38 PolarHBondContact O-N 3.47Å
39Y89.9Confident92.5Very high147 Ų147100.2 Ų100.258%0.57649%0.487SS*.SBendtrans-110.4142.3-175.3-62.8-59.3000112.1T36 I41T36-Y39 PolarHBondContact O-N 2.94Å; Y39-I41 PolarHBondContact O-N 3.38Å
40R92.7Very high92.6Very high251 Ų25199 Ų9995%0.94748%0.481SS*.PPolyproline II helixtrans-75.9121166.7-176.1-178.9-94.6-179.9-5.5108.5
41I92.8Very high92.7Very high33 Ų3393.7 Ų93.717%0.16947%0.47CS..PPolyproline II helixtrans-92.8119.7-177.9-59.8157000109.5M29 L32 K33 Y39 A45M29-I41 HydrophobicContact CE-CB 3.68Å; M29-I41 HydrophobicContact CE-CD1 4.43Å; M29-I41 HydrophobicContact CE-CG2 3.65Å; M29-I41 HydrophobicContact SD-CB 4.26Å; M29-I41 HydrophobicContact SD-CG2 3.57Å; M29-I41 VanDerWaalsContact SD-CG2 3.57Å; L32-I41 HydrophobicContact CB-CD1 3.76Å; L32-I41 HydrophobicContact CB-CG2 4.46Å; L32-I41 HydrophobicContact CD1-CG2 4.19Å; K33-I41 HydrophobicContact CB-CD1 4.15Å; K33-I41 HydrophobicContact CG-CD1 3.52Å; K33-I41 VanDerWaalsContact N-CD1 3.34Å; Y39-I41 PolarHBondContact O-N 3.38Å; I41-A45 HydrophobicContact CG2-CB 3.84Å
42G94.3Very high92.8Very high46 Ų4690 Ų9047%0.47446%0.461SS..PPolyproline II helixtrans-66.8155.117400000112.6G44 A45 P46G42-G44 PolarHBondContact O-N 3.47Å; G42-A45 PolarHBondContact O-N 3.18Å; G42-P46 VanDerWaalsContact O-CD 3.28Å; G42-P46 WeakPolarHBondContact O-CD 3.34Å
43V90.5Very high93Very high137 Ų13791 Ų9183%0.8347%0.466SS*.THydrogen-bonded Turntrans-65-24.8-177.6-65.10000113.8P46V43-P46 WeakPolarHBondContact O-CD 3.49Å; V43-P46 WeakPolarHBondContact O-CG 3.23Å
44G95.1Very high93.2Very high44 Ų4486.8 Ų86.845%0.45445%0.448SS..THydrogen-bonded Turntrans-79-26.9177.300000114.2G42 V47 Y48G42-G44 PolarHBondContact O-N 3.47Å; G44-V47 WeakPolarHBondContact O-CB 3.5Å; G44-V47 PolarHBondContact O-N 2.86Å; G44-Y48 PolarHBondContact O-N 3.11Å
45A95.3Very high93.3Very high41 Ų4185.4 Ų85.434%0.33944%0.439SS..Hα-helixtrans-56-48.8-179.100000114.1L32 I41 G42 V47 Y48 M49L32-A45 HydrophobicContact CD1-CB 4.16Å; I41-A45 HydrophobicContact CG2-CB 3.84Å; G42-A45 PolarHBondContact O-N 3.18Å; A45-V47 VanDerWaalsContact C-N 3.26Å; A45-V47 PolarHBondContact O-N 3.03Å; A45-Y48 PolarHBondContact O-N 2.96Å; A45-M49 WeakPolarHBondContact O-CG 3.46Å; A45-M49 PolarHBondContact O-N 2.61Å
46P96Very high93.9Very high3 Ų385.1 Ų85.12%0.01942%0.422CS..Hα-helixtrans-69.6-22.6176.830.2-39.3000113.7V25 M28 M29 L32 G42 V43 A50V25-P46 HydrophobicContact CG1-CB 3.99Å; V25-P46 HydrophobicContact CG1-CG 4.15Å; M28-P46 HydrophobicContact CB-CB 4.14Å; M29-P46 HydrophobicContact CB-CB 3.74Å; M29-P46 HydrophobicContact CB-CG 4.04Å; M29-P46 HydrophobicContact CG-CG 4.4Å; M29-P46 HydrophobicContact SD-CB 4.16Å; M29-P46 HydrophobicContact SD-CG 3.68Å; L32-P46 HydrophobicContact CD1-CB 4.15Å; G42-P46 VanDerWaalsContact O-CD 3.28Å; G42-P46 WeakPolarHBondContact O-CD 3.34Å; V43-P46 WeakPolarHBondContact O-CD 3.49Å; V43-P46 WeakPolarHBondContact O-CG 3.23Å; P46-A50 WeakPolarHBondContact O-CB 3.43Å; P46-A50 PolarHBondContact O-N 3.08Å; P46-A50 VanDerWaalsContact O-N 3.15Å
47V96.8Very high94.2Very high49 Ų4984.4 Ų84.430%0.29742%0.421SS..Hα-helixtrans-73.1-49.2175176.50000109.4A19 V25 G44 A45 M49 A50 A51A19-V47 HydrophobicContact CB-CG1 3.75Å; A19-V47 HydrophobicContact CB-CG2 4.15Å; V25-V47 HydrophobicContact CG1-CG2 3.77Å; V25-V47 HydrophobicContact CG2-CG2 4.42Å; G44-V47 WeakPolarHBondContact O-CB 3.5Å; G44-V47 PolarHBondContact O-N 2.86Å; A45-V47 VanDerWaalsContact C-N 3.26Å; A45-V47 PolarHBondContact O-N 3.03Å; V47-M49 PolarHBondContact O-N 2.96Å; V47-A50 PolarHBondContact O-N 3.4Å; V47-A51 WeakPolarHBondContact O-CB 3.34Å; V47-A51 PolarHBondContact O-N 2.89Å
48Y97Very high94.8Very high163 Ų16377.2 Ų77.264%0.63940%0.404SS*.Hα-helixtrans-57-49.5175.7-178.7-100.7000111.5G44 A45 A50 A51 V52G44-Y48 PolarHBondContact O-N 3.11Å; A45-Y48 PolarHBondContact O-N 2.96Å; Y48-A50 VanDerWaalsContact C-N 3.31Å; Y48-A50 PolarHBondContact O-N 3.3Å; Y48-A51 PolarHBondContact O-N 3.36Å; Y48-V52 HydrophobicContact CD1-CG2 4.17Å; Y48-V52 HydrophobicContact CD2-CG2 4.33Å; Y48-V52 HydrophobicContact CE1-CG2 3.77Å; Y48-V52 HydrophobicContact CE2-CG2 3.95Å; Y48-V52 HydrophobicContact CG-CG2 4.44Å; Y48-V52 WeakPolarHBondContact O-CG2 3.46Å; Y48-V52 PolarHBondContact O-N 3.12Å
49M95.4Very high95Very high77 Ų7772.8 Ų72.838%0.37939%0.385SS..Hα-helixtrans-60.2-39.4177.1-70.9-60.7-63.400112.9L32 A45 V47 I53L32-M49 HydrophobicContact CD1-CG 4.19Å; L32-M49 HydrophobicContact CD2-CG 4.26Å; A45-M49 WeakPolarHBondContact O-CG 3.46Å; A45-M49 PolarHBondContact O-N 2.61Å; V47-M49 PolarHBondContact O-N 2.96Å; M49-I53 HydrophobicContact CE-CD1 4.44Å; M49-I53 WeakPolarHBondContact O-CB 3.41Å; M49-I53 WeakPolarHBondContact O-CD1 3.32Å; M49-I53 WeakPolarHBondContact O-CG1 3.4Å; M49-I53 PolarHBondContact O-N 3.5Å
50A97.1Very high95.3Very high0 Ų067.3 Ų67.30%037%0.366CS..Hα-helixtrans-65.5-44.6176.300000111.3V21 F23 V25 M28 P46 V47 Y48 I53 E54V21-A50 HydrophobicContact CG2-CB 4.26Å; F23-A50 HydrophobicContact CB-CB 4.17Å; V25-A50 HydrophobicContact CG2-CB 3.9Å; M28-A50 HydrophobicContact CG-CB 4.06Å; P46-A50 WeakPolarHBondContact O-CB 3.43Å; P46-A50 PolarHBondContact O-N 3.08Å; P46-A50 VanDerWaalsContact O-N 3.15Å; V47-A50 PolarHBondContact O-N 3.4Å; Y48-A50 VanDerWaalsContact C-N 3.31Å; Y48-A50 PolarHBondContact O-N 3.3Å; A50-I53 PolarHBondContact O-N 2.96Å; A50-E54 WeakPolarHBondContact O-CB 3.33Å; A50-E54 PolarHBondContact O-N 3.3Å
51A96.5Very high95.5Very high41 Ų4159.9 Ų59.934%0.33934%0.344SS..Hα-helixtrans-63.2-46179.600000112.4V21 V47 Y48 E54 Y55V21-A51 HydrophobicContact CG1-CB 4.17Å; V47-A51 WeakPolarHBondContact O-CB 3.34Å; V47-A51 PolarHBondContact O-N 2.89Å; Y48-A51 PolarHBondContact O-N 3.36Å; A51-E54 PolarHBondContact O-N 3.08Å; A51-Y55 WeakPolarHBondContact O-CB 3.42Å; A51-Y55 PolarHBondContact O-N 2.85Å
52V96.4Very high95.7Very high50 Ų5063.8 Ų63.830%0.30336%0.362SS..Hα-helixtrans-62.8-45.8178.8173.80000111.2Y48 E54 Y55 L56Y48-V52 HydrophobicContact CD1-CG2 4.17Å; Y48-V52 HydrophobicContact CD2-CG2 4.33Å; Y48-V52 HydrophobicContact CE1-CG2 3.77Å; Y48-V52 HydrophobicContact CE2-CG2 3.95Å; Y48-V52 HydrophobicContact CG-CG2 4.44Å; Y48-V52 WeakPolarHBondContact O-CG2 3.46Å; Y48-V52 PolarHBondContact O-N 3.12Å; V52-E54 VanDerWaalsContact C-N 3.32Å; V52-E54 PolarHBondContact O-N 3.47Å; V52-Y55 PolarHBondContact O-N 3.06Å; V52-L56 HydrophobicContact CG1-CD1 4.1Å; V52-L56 WeakPolarHBondContact O-CG 3.35Å; V52-L56 PolarHBondContact O-N 2.68Å
53I95.4Very high95.8Very high62 Ų6263.7 Ų63.732%0.31835%0.35SS..Hα-helixtrans-67.4-37.3179.4-64.1170.5000110.8F23 M28 M49 A50 A57F23-I53 HydrophobicContact CD2-CB 4.32Å; F23-I53 HydrophobicContact CD2-CG2 3.81Å; F23-I53 HydrophobicContact CE2-CB 4.39Å; F23-I53 HydrophobicContact CE2-CG2 3.46Å; F23-I53 VanDerWaalsContact CE2-CG2 3.46Å; F23-I53 HydrophobicContact CZ-CG2 4.42Å; M28-I53 HydrophobicContact CE-CD1 3.81Å; M28-I53 HydrophobicContact SD-CD1 4.18Å; M49-I53 HydrophobicContact CE-CD1 4.44Å; M49-I53 WeakPolarHBondContact O-CB 3.41Å; M49-I53 WeakPolarHBondContact O-CD1 3.32Å; M49-I53 WeakPolarHBondContact O-CG1 3.4Å; M49-I53 PolarHBondContact O-N 3.5Å; A50-I53 PolarHBondContact O-N 2.96Å; I53-A57 VanDerWaalsContact O-CB 3.24Å; I53-A57 WeakPolarHBondContact O-CB 3.36Å; I53-A57 PolarHBondContact O-N 3.26Å
54E96.3Very high96.1Very high39 Ų3957.1 Ų57.118%0.18231%0.31CS..Hα-helixtrans-63.3-44.5175.9-177164.7145.700111.8V21 I22 F23 A50 A51 V52 A57 A58V21-E54 WeakPolarHBondContact CB-OE2 3.41Å; I22-E54 WeakPolarHBondContact CA-OE2 3.34Å; I22-E54 VanDerWaalsContact N-CD 3.32Å; I22-E54 PolarHBondContact N-OE1 2.87Å; I22-E54 VanDerWaalsContact N-OE1 3.09Å; I22-E54 PolarHBondContact N-OE2 2.93Å; F23-E54 HydrophobicContact CB-CB 4.26Å; F23-E54 WeakPolarHBondContact CB-OE2 3.23Å; F23-E54 HydrophobicContact CD1-CB 3.75Å; F23-E54 HydrophobicContact CD1-CG 3.82Å; F23-E54 HydrophobicContact CE1-CB 4.26Å; F23-E54 HydrophobicContact CE1-CG 4.27Å; F23-E54 HydrophobicContact CG-CB 3.98Å; F23-E54 HydrophobicContact CG-CG 4.49Å; F23-E54 PolarHBondContact N-OE2 3.01Å; A50-E54 WeakPolarHBondContact O-CB 3.33Å; A50-E54 PolarHBondContact O-N 3.3Å; A51-E54 PolarHBondContact O-N 3.08Å; V52-E54 VanDerWaalsContact C-N 3.32Å; V52-E54 PolarHBondContact O-N 3.47Å; E54-A57 PolarHBondContact O-N 2.87Å; E54-A58 WeakPolarHBondContact O-CB 3.12Å; E54-A58 PolarHBondContact O-N 3.19Å
55Y95.3Very high96.2Very high151 Ų15156.1 Ų56.159%0.59230%0.3SS*.Hα-helixtrans-59.1-51.9174.7174-105.1000111.5A51 V52 A57 A58 E59A51-Y55 WeakPolarHBondContact O-CB 3.42Å; A51-Y55 PolarHBondContact O-N 2.85Å; V52-Y55 PolarHBondContact O-N 3.06Å; Y55-A57 VanDerWaalsContact C-N 3.3Å; Y55-A57 PolarHBondContact O-N 3.03Å; Y55-A58 WeakPolarHBondContact O-CB 3.45Å; Y55-A58 PolarHBondContact O-N 3.08Å; Y55-A58 VanDerWaalsContact O-N 3.14Å; Y55-E59 PolarHBondContact O-N 3.38Å
56L95.5Very high96.2Very high56 Ų5657.4 Ų57.429%0.29330%0.301SS..Hα-helixtrans-60.7-39.1178.3-69.4173000112.5V52 I60 L94V52-L56 HydrophobicContact CG1-CD1 4.1Å; V52-L56 WeakPolarHBondContact O-CG 3.35Å; V52-L56 PolarHBondContact O-N 2.68Å; L56-I60 VanDerWaalsContact O-CG1 3.3Å; L56-I60 WeakPolarHBondContact O-CG1 3.23Å; L56-I60 PolarHBondContact O-N 2.71Å; L56-I60 VanDerWaalsContact O-N 3.15Å; L56-L94 HydrophobicContact CD1-CD2 4.24Å; L56-L94 HydrophobicContact CD2-CD2 3.89Å
57A96.3Very high96.1Very high28 Ų2858 Ų5823%0.23131%0.306CS..Hα-helixtrans-68.1-3917700000111.9F23 I53 E54 Y55 L61F23-A57 HydrophobicContact CE1-CB 4.38Å; F23-A57 HydrophobicContact CZ-CB 3.82Å; I53-A57 VanDerWaalsContact O-CB 3.24Å; I53-A57 WeakPolarHBondContact O-CB 3.36Å; I53-A57 PolarHBondContact O-N 3.26Å; E54-A57 PolarHBondContact O-N 2.87Å; Y55-A57 VanDerWaalsContact C-N 3.3Å; Y55-A57 PolarHBondContact O-N 3.03Å; A57-L61 VanDerWaalsContact O-CB 3.3Å; A57-L61 WeakPolarHBondContact O-CB 3.46Å; A57-L61 WeakPolarHBondContact O-CD1 3.5Å; A57-L61 WeakPolarHBondContact O-CG 3.46Å; A57-L61 PolarHBondContact O-N 3.34Å
58A95.7Very high96.1Very high53 Ų5355.8 Ų55.844%0.43829%0.293SS..Hα-helixtrans-62.8-47.7176.700000111.1E54 Y55 L61 E62E54-A58 WeakPolarHBondContact O-CB 3.12Å; E54-A58 PolarHBondContact O-N 3.19Å; Y55-A58 WeakPolarHBondContact O-CB 3.45Å; Y55-A58 PolarHBondContact O-N 3.08Å; Y55-A58 VanDerWaalsContact O-N 3.14Å; A58-L61 PolarHBondContact O-N 3.48Å; A58-L61 VanDerWaalsContact O-N 3.16Å; A58-E62 WeakPolarHBondContact O-CB 3.43Å; A58-E62 PolarHBondContact O-N 2.82Å
59E94.9Very high96Very high58 Ų5856.9 Ų56.927%0.27130%0.296SS..Hα-helixtrans-59.2-50.2179-165.563.5-136.400111.7Y55 L61 E62 L63Y55-E59 PolarHBondContact O-N 3.38Å; E59-L61 VanDerWaalsContact C-N 3.27Å; E59-L61 PolarHBondContact O-N 3.49Å; E59-E62 PolarHBondContact O-N 3.02Å; E59-L63 WeakPolarHBondContact O-CG 3.23Å; E59-L63 PolarHBondContact O-N 3.1Å
60I96.7Very high95.8Very high32 Ų3259 Ų5916%0.16431%0.309CS..Hα-helixtrans-59.6-40.2177.1-68.1168.4000110.9L56 A64 I81 V85 L91 L95L56-I60 VanDerWaalsContact O-CG1 3.3Å; L56-I60 WeakPolarHBondContact O-CG1 3.23Å; L56-I60 PolarHBondContact O-N 2.71Å; L56-I60 VanDerWaalsContact O-N 3.15Å; I60-A64 WeakPolarHBondContact O-CB 3.43Å; I60-A64 PolarHBondContact O-N 3.32Å; I60-I81 HydrophobicContact CG2-CG2 3.94Å; I60-V85 HydrophobicContact CG2-CG2 4.44Å; I60-L91 HydrophobicContact CD1-CD2 4.29Å; I60-L91 HydrophobicContact CG1-CD1 3.9Å; I60-L91 HydrophobicContact CG1-CD2 3.93Å; I60-L95 HydrophobicContact CD1-CD1 4.16Å
61L97.2Very high95.6Very high94 Ų9462.5 Ų62.549%0.49233%0.328SS..Hα-helixtrans-71.6-34.8-179.7-75.3173.2000112.8A57 A58 E59 G65 I76A57-L61 VanDerWaalsContact O-CB 3.3Å; A57-L61 WeakPolarHBondContact O-CB 3.46Å; A57-L61 WeakPolarHBondContact O-CD1 3.5Å; A57-L61 WeakPolarHBondContact O-CG 3.46Å; A57-L61 PolarHBondContact O-N 3.34Å; A58-L61 PolarHBondContact O-N 3.48Å; A58-L61 VanDerWaalsContact O-N 3.16Å; E59-L61 VanDerWaalsContact C-N 3.27Å; E59-L61 PolarHBondContact O-N 3.49Å; L61-G65 WeakPolarHBondContact O-CA 3.15Å; L61-G65 PolarHBondContact O-N 2.91Å; L61-I76 HydrophobicContact CD2-CD1 4.23Å
62E95.6Very high95.6Very high115 Ų11567.7 Ų67.754%0.53734%0.343SS..Hα-helixtrans-64.3-53.7175.2179.9165.5-176.300110.5A58 E59 A64 G65 N66A58-E62 WeakPolarHBondContact O-CB 3.43Å; A58-E62 PolarHBondContact O-N 2.82Å; E59-E62 PolarHBondContact O-N 3.02Å; E62-A64 VanDerWaalsContact C-N 3.34Å; E62-A64 PolarHBondContact O-N 2.84Å; E62-G65 WeakPolarHBondContact O-CA 3.26Å; E62-G65 PolarHBondContact O-N 3.17Å; E62-G65 VanDerWaalsContact O-N 3.08Å; E62-N66 PolarHBondContact O-N 3.5Å
63L96.5Very high95.5Very high44 Ų4471.7 Ų71.723%0.2336%0.356CS..Hα-helixtrans-61-42.1177.1-65178.1000111.9E59 G65 N66 A67 A84 D88 L91E59-L63 WeakPolarHBondContact O-CG 3.23Å; E59-L63 PolarHBondContact O-N 3.1Å; L63-G65 VanDerWaalsContact C-N 3.3Å; L63-G65 PolarHBondContact O-N 3.19Å; L63-N66 PolarHBondContact O-N 3.44Å; L63-A67 PolarHBondContact O-N 3.24Å; L63-A84 HydrophobicContact CB-CB 3.6Å; L63-D88 HydrophobicContact CD1-CB 4.14Å; L63-L91 HydrophobicContact CD1-CD1 3.65Å
64A97.4Very high95.4Very high0 Ų073.4 Ų73.40%039%0.389CS..Hα-helixtrans-68.6-30.4176.200000112.3I60 E62 A68 I76 H80 I81 A84I60-A64 WeakPolarHBondContact O-CB 3.43Å; I60-A64 PolarHBondContact O-N 3.32Å; E62-A64 VanDerWaalsContact C-N 3.34Å; E62-A64 PolarHBondContact O-N 2.84Å; A64-A68 WeakPolarHBondContact O-CB 3.39Å; A64-A68 PolarHBondContact O-N 2.95Å; A64-I76 HydrophobicContact CB-CG2 3.88Å; A64-H80 HydrophobicContact CB-CB 4.32Å; A64-H80 WeakPolarHBondContact O-CB 3.31Å; A64-I81 HydrophobicContact CB-CG1 4.11Å; A64-A84 HydrophobicContact CB-CB 4.03Å
65G97.6Very high95.4Very high23 Ų2381.3 Ų81.324%0.23742%0.417CS..Hα-helixtrans-64.5-43.7172.200000111.8L61 E62 L63 A68 R69L61-G65 WeakPolarHBondContact O-CA 3.15Å; L61-G65 PolarHBondContact O-N 2.91Å; E62-G65 WeakPolarHBondContact O-CA 3.26Å; E62-G65 PolarHBondContact O-N 3.17Å; E62-G65 VanDerWaalsContact O-N 3.08Å; L63-G65 VanDerWaalsContact C-N 3.3Å; L63-G65 PolarHBondContact O-N 3.19Å; G65-A68 PolarHBondContact O-N 2.94Å; G65-R69 WeakPolarHBondContact O-CB 3.49Å; G65-R69 PolarHBondContact O-N 2.87Å
66N93.9Very high95.5Very high68 Ų6877.3 Ų77.336%0.36441%0.405SS..Hα-helixtrans-62-50.1173.9-66.4-21.8000110.7E62 L63 A68 R69 D70E62-N66 PolarHBondContact O-N 3.5Å; L63-N66 PolarHBondContact O-N 3.44Å; N66-A68 VanDerWaalsContact C-N 3.27Å; N66-A68 PolarHBondContact O-N 2.95Å; N66-R69 WeakPolarHBondContact O-CA 3.32Å; N66-R69 WeakPolarHBondContact O-CB 3.32Å; N66-R69 PolarHBondContact O-N 3.13Å; N66-D70 VanDerWaalsContact O-CG 3.31Å; N66-D70 PolarHBondContact O-N 2.81Å
67A94.1Very high95.6Very high15 Ų1576.4 Ų76.412%0.12441%0.406CS..Hα-helixtrans-59.4-35.6176.700000113.2L63 N71 H80 L83L63-A67 PolarHBondContact O-N 3.24Å; A67-N71 WeakPolarHBondContact O-CB 3.45Å; A67-N71 PolarHBondContact O-N 3.45Å; A67-N71 PolarHBondContact O-ND2 3.24Å; A67-H80 HydrophobicContact CB-CB 4.22Å; A67-L83 HydrophobicContact CB-CB 4.29Å
68A97Very high95.6Very high3 Ų377.8 Ų77.83%0.02541%0.413CS..Hα-helixtrans-66.5-42.5174.200000112A64 G65 N66 N71 K72 K73 I76 H80A64-A68 WeakPolarHBondContact O-CB 3.39Å; A64-A68 PolarHBondContact O-N 2.95Å; G65-A68 PolarHBondContact O-N 2.94Å; N66-A68 VanDerWaalsContact C-N 3.27Å; N66-A68 PolarHBondContact O-N 2.95Å; A68-N71 CarbonylContact O-C 3.43Å; A68-N71 PolarHBondContact O-N 3.04Å; A68-K72 PolarHBondContact O-N 3.38Å; A68-K73 CarbonylContact C-O 3.48Å; A68-K73 PolarHBondContact O-N 3.31Å; A68-K73 VanDerWaalsContact O-O 3.11Å; A68-I76 HydrophobicContact CB-CG1 4.25Å; A68-H80 HydrophobicContact CB-CB 4.3Å; A68-H80 WeakPolarHBondContact CB-ND1 3.36Å
69R95.4Very high95.6Very high185 Ų18579.1 Ų79.170%0.69841%0.406SS*.Hα-helixtrans-63.1-43177.9-171.2-178.7-64.6177.22.7111.4G65 N66 N71 K72G65-R69 WeakPolarHBondContact O-CB 3.49Å; G65-R69 PolarHBondContact O-N 2.87Å; N66-R69 WeakPolarHBondContact O-CA 3.32Å; N66-R69 WeakPolarHBondContact O-CB 3.32Å; N66-R69 PolarHBondContact O-N 3.13Å; R69-N71 VanDerWaalsContact C-N 3.29Å; R69-N71 PolarHBondContact O-N 3.28Å; R69-K72 WeakPolarHBondContact O-CA 3.23Å; R69-K72 PolarHBondContact O-N 3.42Å
70D91.9Very high95.7Very high123 Ų12376.8 Ų76.866%0.65840%0.396SS*.Hα-helixtrans-62.8-38.6177.5-64.8-19.4000111.6N66 K72N66-D70 VanDerWaalsContact O-CG 3.31Å; N66-D70 PolarHBondContact O-N 2.81Å; D70-K72 PolarHBondContact O-N 3.13Å; D70-K72 VanDerWaalsContact O-N 3.17Å
71N92.1Very high95.7Very high73 Ų7377.8 Ų77.839%0.3940%0.401SS..THydrogen-bonded Turntrans-75.96.3172.3-70.5-21.2000113.8A67 A68 R69 K73 H80A67-N71 WeakPolarHBondContact O-CB 3.45Å; A67-N71 PolarHBondContact O-N 3.45Å; A67-N71 PolarHBondContact O-ND2 3.24Å; A68-N71 CarbonylContact O-C 3.43Å; A68-N71 PolarHBondContact O-N 3.04Å; R69-N71 VanDerWaalsContact C-N 3.29Å; R69-N71 PolarHBondContact O-N 3.28Å; N71-K73 HydrophobicContact CB-CG 4.29Å; N71-K73 PolarHBondContact O-N 2.69Å; N71-H80 PolarHBondContact ND2-CD2 2.79Å; N71-H80 PolarHBondContact ND2-NE2 3.08Å; N71-H80 VanDerWaalsContact ND2-NE2 3.15Å
72K95.8Very high95.6Very high150 Ų15074.8 Ų74.865%0.65239%0.385SS*.THydrogen-bonded Turntrans55.737.6-178.7-55179.4-179.4-177.60112.4A68 R69 D70A68-K72 PolarHBondContact O-N 3.38Å; R69-K72 WeakPolarHBondContact O-CA 3.23Å; R69-K72 PolarHBondContact O-N 3.42Å; D70-K72 PolarHBondContact O-N 3.13Å; D70-K72 VanDerWaalsContact O-N 3.17Å
73K95Very high95.5Very high133 Ų13370.3 Ų70.358%0.57836%0.364SS*.  trans-112.1131.2176.1-61.5-59.5-176.9178.50109.9A68 N71 R75A68-K73 CarbonylContact C-O 3.48Å; A68-K73 PolarHBondContact O-N 3.31Å; A68-K73 VanDerWaalsContact O-O 3.11Å; N71-K73 HydrophobicContact CB-CG 4.29Å; N71-K73 PolarHBondContact O-N 2.69Å; K73-R75 PolarHBondContact O-N 2.91Å
74G92.8Very high95.4Very high98 Ų9868.5 Ų68.5100%1.0136%0.356SS*.SBendtrans-80.71.1173.300000114.5
75R97.2Very high95.3Very high206 Ų20668.9 Ų68.978%0.77736%0.358SS*.SBendtrans-128.2130.2-178.6-176.2-177.8-67.5-174.5-0.3109.9K73 H80K73-R75 PolarHBondContact O-N 2.91Å; R75-H80 PolarHBondContact O-CE1 2.94Å; R75-H80 PolarHBondContact O-ND1 3.09Å
76I97.3Very high95.1Very high67 Ų6768.8 Ų68.834%0.34436%0.355SS..  trans-67.9129.8169.9-59.3176000108.5L61 A64 A68 H80 I81L61-I76 HydrophobicContact CD2-CD1 4.23Å; A64-I76 HydrophobicContact CB-CG2 3.88Å; A68-I76 HydrophobicContact CB-CG1 4.25Å; I76-H80 HydrophobicContact CG2-CB 4.23Å; I76-I81 HydrophobicContact CG2-CD1 4.49Å; I76-I81 HydrophobicContact CG2-CG1 4.01Å
77A96.4Very high94.9Very high37 Ų3771.3 Ų71.331%0.30637%0.369SS..  trans-123162.6179.400000108.4R79 H80 I81A77-R79 PolarHBondContact O-N 2.79Å; A77-H80 PolarHBondContact N-ND1 3.23Å; A77-H80 WeakPolarHBondContact O-CB 3.3Å; A77-H80 PolarHBondContact O-N 3.44Å; A77-I81 PolarHBondContact O-N 3.27Å
78P97Very high95Very high57 Ų5773 Ų7337%0.3738%0.376SS..Hα-helixtrans-54.1-31.1-179.5-28.135.9000113.8H80 I81 L82 I100 A101P78-H80 PolarHBondContact O-N 2.93Å; P78-I81 PolarHBondContact O-N 3.02Å; P78-L82 PolarHBondContact O-N 3.28Å; P78-I100 HydrophobicContact CB-CG2 4.34Å; P78-A101 VanDerWaalsContact CB-O 3.23Å; P78-A101 WeakPolarHBondContact CB-O 3.25Å
79R95.4Very high94.8Very high80 Ų8081 Ų8130%0.30241%0.412SS..Hα-helixtrans-61.4-39.1172.3-178.9148.3-174.779.8-3.5113.8A77 I81 L82 L83 G103 V105A77-R79 PolarHBondContact O-N 2.79Å; R79-I81 VanDerWaalsContact C-N 3.32Å; R79-L82 PolarHBondContact O-N 2.98Å; R79-L83 HydrophobicContact CG-CD1 4.12Å; R79-L83 HydrophobicContact CG-CG 4.37Å; R79-L83 VanDerWaalsContact O-CG 3.27Å; R79-L83 WeakPolarHBondContact O-CG 3.41Å; R79-L83 PolarHBondContact O-N 3.14Å; R79-G103 WeakPolarHBondContact CA-O 3.45Å; R79-G103 WeakPolarHBondContact CB-O 3.31Å; R79-G103 WeakPolarHBondContact CG-O 3.41Å; R79-G103 PolarHBondContact NH1-O 2.89Å; R79-V105 PolarHBondContact NH1-O 3.11Å; R79-V105 PolarHBondContact NH2-O 2.82Å
80H96.9Very high94.7Very high10 Ų1078.9 Ų78.95%0.04641%0.411CS..Hα-helixtrans-68.4-35.7178.2-55.2137.7000111.4A64 A67 A68 N71 R75 I76 A77 P78 L83 A84A64-H80 HydrophobicContact CB-CB 4.32Å; A64-H80 WeakPolarHBondContact O-CB 3.31Å; A67-H80 HydrophobicContact CB-CB 4.22Å; A68-H80 HydrophobicContact CB-CB 4.3Å; A68-H80 WeakPolarHBondContact CB-ND1 3.36Å; N71-H80 PolarHBondContact ND2-CD2 2.79Å; N71-H80 PolarHBondContact ND2-NE2 3.08Å; N71-H80 VanDerWaalsContact ND2-NE2 3.15Å; R75-H80 PolarHBondContact O-CE1 2.94Å; R75-H80 PolarHBondContact O-ND1 3.09Å; I76-H80 HydrophobicContact CG2-CB 4.23Å; A77-H80 PolarHBondContact N-ND1 3.23Å; A77-H80 WeakPolarHBondContact O-CB 3.3Å; A77-H80 PolarHBondContact O-N 3.44Å; P78-H80 PolarHBondContact O-N 2.93Å; H80-L83 PolarHBondContact O-N 2.91Å; H80-A84 VanDerWaalsContact O-CB 3.32Å; H80-A84 WeakPolarHBondContact O-CB 3.31Å; H80-A84 PolarHBondContact O-N 2.95Å
81I96.6Very high94.9Very high53 Ų5373.4 Ų73.427%0.27238%0.381SS..Hα-helixtrans-65.9-44.4173.6-56.7175000110.3I60 A64 I76 A77 P78 R79 L83 A84 V85 I100I60-I81 HydrophobicContact CG2-CG2 3.94Å; A64-I81 HydrophobicContact CB-CG1 4.11Å; I76-I81 HydrophobicContact CG2-CD1 4.49Å; I76-I81 HydrophobicContact CG2-CG1 4.01Å; A77-I81 PolarHBondContact O-N 3.27Å; P78-I81 PolarHBondContact O-N 3.02Å; R79-I81 VanDerWaalsContact C-N 3.32Å; I81-L83 PolarHBondContact O-N 3.42Å; I81-A84 PolarHBondContact O-N 3.25Å; I81-V85 HydrophobicContact CG2-CG2 4.33Å; I81-V85 WeakPolarHBondContact O-CB 3.07Å; I81-V85 WeakPolarHBondContact O-CG2 3.42Å; I81-V85 PolarHBondContact O-N 3.32Å; I81-I100 HydrophobicContact CG2-CD1 4.14Å
82L95.3Very high94.9Very high30 Ų3074 Ų7416%0.15738%0.384CS..Hα-helixtrans-60.1-45.7175.7179.872.6000111.8P78 R79 A84 A86 I100 G103 G104P78-L82 PolarHBondContact O-N 3.28Å; R79-L82 PolarHBondContact O-N 2.98Å; L82-A84 VanDerWaalsContact C-N 3.34Å; L82-A86 WeakPolarHBondContact O-CB 3.42Å; L82-A86 PolarHBondContact O-N 3.09Å; L82-I100 HydrophobicContact CB-CD1 4.22Å; L82-I100 HydrophobicContact CB-CG2 4.45Å; L82-I100 HydrophobicContact CD1-CB 4.33Å; L82-I100 HydrophobicContact CD1-CD1 4.01Å; L82-G103 VanDerWaalsContact CD2-C 3.41Å; L82-G103 VanDerWaalsContact CD2-O 3.24Å; L82-G103 WeakPolarHBondContact CD2-O 3.04Å; L82-G104 WeakPolarHBondContact CD2-O 3.31Å
83L93.9Very high94.9Very high21 Ų2172.5 Ų72.511%0.1138%0.38CS..Hα-helixtrans-63.6-41178.7-69.9172.5000111.7A67 R79 H80 I81 N87 L106A67-L83 HydrophobicContact CB-CB 4.29Å; R79-L83 HydrophobicContact CG-CD1 4.12Å; R79-L83 HydrophobicContact CG-CG 4.37Å; R79-L83 VanDerWaalsContact O-CG 3.27Å; R79-L83 WeakPolarHBondContact O-CG 3.41Å; R79-L83 PolarHBondContact O-N 3.14Å; H80-L83 PolarHBondContact O-N 2.91Å; I81-L83 PolarHBondContact O-N 3.42Å; L83-N87 VanDerWaalsContact O-CB 3.25Å; L83-N87 WeakPolarHBondContact O-CB 3.26Å; L83-N87 VanDerWaalsContact O-CG 3.24Å; L83-N87 PolarHBondContact O-N 2.86Å; L83-N87 VanDerWaalsContact O-N 3.14Å; L83-N87 PolarHBondContact O-ND2 3.46Å; L83-L106 HydrophobicContact CD2-CD2 3.89Å
84A95.3Very high94.8Very high7 Ų771.1 Ų71.16%0.05838%0.378CS..Hα-helixtrans-61.1-54.517600000111.6L63 A64 H80 I81 L82 A86 D88L63-A84 HydrophobicContact CB-CB 3.6Å; A64-A84 HydrophobicContact CB-CB 4.03Å; H80-A84 VanDerWaalsContact O-CB 3.32Å; H80-A84 WeakPolarHBondContact O-CB 3.31Å; H80-A84 PolarHBondContact O-N 2.95Å; I81-A84 PolarHBondContact O-N 3.25Å; L82-A84 VanDerWaalsContact C-N 3.34Å; A84-A86 PolarHBondContact O-N 3.48Å; A84-D88 WeakPolarHBondContact O-CB 3.48Å; A84-D88 PolarHBondContact O-N 3.36Å
85V95.4Very high94.8Very high7 Ų768.9 Ų68.94%0.04234%0.343CS..Hα-helixtrans-62.8-42-178.3170.30000111.6I60 I81 L91 N92 L95 I100I60-V85 HydrophobicContact CG2-CG2 4.44Å; I81-V85 HydrophobicContact CG2-CG2 4.33Å; I81-V85 WeakPolarHBondContact O-CB 3.07Å; I81-V85 WeakPolarHBondContact O-CG2 3.42Å; I81-V85 PolarHBondContact O-N 3.32Å; V85-L91 HydrophobicContact CG1-CB 4.41Å; V85-N92 WeakPolarHBondContact O-CA 3.19Å; V85-N92 VanDerWaalsContact O-CB 3.31Å; V85-N92 WeakPolarHBondContact O-CB 3.47Å; V85-N92 PolarHBondContact O-N 3.38Å; V85-N92 VanDerWaalsContact O-N 3.17Å; V85-L95 HydrophobicContact CB-CD1 4.36Å; V85-L95 HydrophobicContact CG1-CB 4Å; V85-L95 HydrophobicContact CG1-CD1 3.7Å; V85-L95 HydrophobicContact CG1-CG 4.4Å; V85-L95 HydrophobicContact CG2-CD1 3.65Å; V85-I100 HydrophobicContact CB-CD1 4.33Å; V85-I100 HydrophobicContact CG2-CD1 4.29Å
86A92.5Very high94.7Very high22 Ų2266.4 Ų66.418%0.18234%0.338CS..Hα-helixtrans-84.2-17.4-170.700000114L82 A84 L106L82-A86 WeakPolarHBondContact O-CB 3.42Å; L82-A86 PolarHBondContact O-N 3.09Å; A84-A86 PolarHBondContact O-N 3.48Å; A86-L106 HydrophobicContact CB-CD1 3.32Å; A86-L106 HydrophobicContact CB-CG 3.97Å
87N90.5Very high94.3Very high121 Ų12167.1 Ų67.165%0.64736%0.361SS*.Hα-helixtrans-90.8-11.8172.7-70.1-35.7000112.9L83L83-N87 VanDerWaalsContact O-CB 3.25Å; L83-N87 WeakPolarHBondContact O-CB 3.26Å; L83-N87 VanDerWaalsContact O-CG 3.24Å; L83-N87 PolarHBondContact O-N 2.86Å; L83-N87 VanDerWaalsContact O-N 3.14Å; L83-N87 PolarHBondContact O-ND2 3.46Å
88D94.8Very high94.2Very high49 Ų4969.6 Ų69.626%0.26237%0.373SS..SBendtrans-100.6123.9176.2-177.7-88.2000110L63 A84 E90 L91 N92L63-D88 HydrophobicContact CD1-CB 4.14Å; A84-D88 WeakPolarHBondContact O-CB 3.48Å; A84-D88 PolarHBondContact O-N 3.36Å; D88-E90 PolarHBondContact OD1-N 2.98Å; D88-L91 HydrophobicContact CB-CB 4.08Å; D88-L91 HydrophobicContact CB-CD1 4.07Å; D88-L91 HydrophobicContact CB-CG 4.3Å; D88-L91 VanDerWaalsContact OD1-CB 3.32Å; D88-L91 WeakPolarHBondContact OD1-CB 3.17Å; D88-L91 VanDerWaalsContact OD1-CG 3.26Å; D88-L91 WeakPolarHBondContact OD1-CG 3.33Å; D88-L91 PolarHBondContact OD1-N 2.91Å; D88-N92 WeakPolarHBondContact O-CB 3.16Å; D88-N92 PolarHBondContact O-N 3.32Å
89E93.2Very high94Very high171 Ų17173.1 Ų73.180%0.79939%0.393SS*.Hα-helixtrans-66.1-42.2-172.1-174.2171-168.900112.2Q93E89-Q93 VanDerWaalsContact O-CB 3.26Å; E89-Q93 WeakPolarHBondContact O-CB 3.12Å; E89-Q93 PolarHBondContact O-N 2.79Å
90E94.6Very high93.9Very high141 Ų14171.3 Ų71.366%0.65939%0.389SS*.Hα-helixtrans-70.2-45.5-177.3-62.3-173.7167.300111.1D88 Q93 L94D88-E90 PolarHBondContact OD1-N 2.98Å; E90-Q93 PolarHBondContact O-N 2.79Å; E90-L94 VanDerWaalsContact O-CB 3.23Å; E90-L94 WeakPolarHBondContact O-CB 3.37Å; E90-L94 PolarHBondContact O-N 2.79Å
91L94.6Very high93.8Very high9 Ų974.4 Ų74.45%0.04742%0.416CS..Hα-helixtrans-68.2-38.9177-67.5176.1000111.9I60 L63 V85 D88 Q93 L94 L95I60-L91 HydrophobicContact CD1-CD2 4.29Å; I60-L91 HydrophobicContact CG1-CD1 3.9Å; I60-L91 HydrophobicContact CG1-CD2 3.93Å; L63-L91 HydrophobicContact CD1-CD1 3.65Å; V85-L91 HydrophobicContact CG1-CB 4.41Å; D88-L91 HydrophobicContact CB-CB 4.08Å; D88-L91 HydrophobicContact CB-CD1 4.07Å; D88-L91 HydrophobicContact CB-CG 4.3Å; D88-L91 VanDerWaalsContact OD1-CB 3.32Å; D88-L91 WeakPolarHBondContact OD1-CB 3.17Å; D88-L91 VanDerWaalsContact OD1-CG 3.26Å; D88-L91 WeakPolarHBondContact OD1-CG 3.33Å; D88-L91 PolarHBondContact OD1-N 2.91Å; L91-Q93 VanDerWaalsContact C-N 3.28Å; L91-Q93 PolarHBondContact O-N 3.23Å; L91-L94 HydrophobicContact CD2-CD2 4.41Å; L91-L94 PolarHBondContact O-N 3.17Å; L91-L95 VanDerWaalsContact O-CB 3.31Å; L91-L95 WeakPolarHBondContact O-CB 3.36Å; L91-L95 PolarHBondContact O-N 3.26Å
92N93.6Very high93.7Very high84 Ų8477.1 Ų77.145%0.44944%0.44SS..Hα-helixtrans-63.3-38.8175.6-172.543.4000111.1V85 D88 K96V85-N92 WeakPolarHBondContact O-CA 3.19Å; V85-N92 VanDerWaalsContact O-CB 3.31Å; V85-N92 WeakPolarHBondContact O-CB 3.47Å; V85-N92 PolarHBondContact O-N 3.38Å; V85-N92 VanDerWaalsContact O-N 3.17Å; D88-N92 WeakPolarHBondContact O-CB 3.16Å; D88-N92 PolarHBondContact O-N 3.32Å; N92-K96 WeakPolarHBondContact O-CA 3.44Å; N92-K96 PolarHBondContact O-N 2.92Å; N92-K96 VanDerWaalsContact O-N 3.09Å
93Q94.5Very high93.5Very high119 Ų11975.7 Ų75.756%0.55643%0.433SS*.Hα-helixtrans-72.4-42.4175.8-178.756.633.400111.9E89 E90 L91 L95 K96E89-Q93 VanDerWaalsContact O-CB 3.26Å; E89-Q93 WeakPolarHBondContact O-CB 3.12Å; E89-Q93 PolarHBondContact O-N 2.79Å; E90-Q93 PolarHBondContact O-N 2.79Å; L91-Q93 VanDerWaalsContact C-N 3.28Å; L91-Q93 PolarHBondContact O-N 3.23Å; Q93-L95 VanDerWaalsContact C-N 3.34Å; Q93-L95 PolarHBondContact O-N 2.79Å; Q93-K96 VanDerWaalsContact O-CB 3.23Å; Q93-K96 WeakPolarHBondContact O-CB 3.06Å; Q93-K96 PolarHBondContact O-N 2.87Å
94L93.3Very high93.3Very high105 Ų10577.5 Ų77.555%0.5546%0.457SS..Hα-helixtrans-62.7-40.4177.6178.264000111.9L56 E90 L91L56-L94 HydrophobicContact CD1-CD2 4.24Å; L56-L94 HydrophobicContact CD2-CD2 3.89Å; E90-L94 VanDerWaalsContact O-CB 3.23Å; E90-L94 WeakPolarHBondContact O-CB 3.37Å; E90-L94 PolarHBondContact O-N 2.79Å; L91-L94 HydrophobicContact CD2-CD2 4.41Å; L91-L94 PolarHBondContact O-N 3.17Å
95L93.7Very high92.9Very high51 Ų5182.8 Ų82.827%0.26749%0.488SS..THydrogen-bonded Turntrans-99.221.3-179.2-60.4175.7000112.3I60 V85 L91 Q93 G97 V98I60-L95 HydrophobicContact CD1-CD1 4.16Å; V85-L95 HydrophobicContact CB-CD1 4.36Å; V85-L95 HydrophobicContact CG1-CB 4Å; V85-L95 HydrophobicContact CG1-CD1 3.7Å; V85-L95 HydrophobicContact CG1-CG 4.4Å; V85-L95 HydrophobicContact CG2-CD1 3.65Å; L91-L95 VanDerWaalsContact O-CB 3.31Å; L91-L95 WeakPolarHBondContact O-CB 3.36Å; L91-L95 PolarHBondContact O-N 3.26Å; Q93-L95 VanDerWaalsContact C-N 3.34Å; Q93-L95 PolarHBondContact O-N 2.79Å; L95-G97 PolarHBondContact O-N 2.82Å; L95-V98 HydrophobicContact CB-CB 4.25Å; L95-V98 HydrophobicContact CB-CG2 4.18Å; L95-V98 HydrophobicContact CD2-CG2 4.17Å; L95-V98 VanDerWaalsContact O-CB 3.29Å; L95-V98 WeakPolarHBondContact O-CB 3.29Å; L95-V98 WeakPolarHBondContact O-CG2 3.13Å; L95-V98 PolarHBondContact O-N 2.89Å
96K93.3Very high92.3Very high154 Ų15485.9 Ų85.967%0.6750%0.504SS*.THydrogen-bonded Turntrans-58.3122.5177.9-171.8173.7-174.4171.30110.4N92 Q93N92-K96 WeakPolarHBondContact O-CA 3.44Å; N92-K96 PolarHBondContact O-N 2.92Å; N92-K96 VanDerWaalsContact O-N 3.09Å; Q93-K96 VanDerWaalsContact O-CB 3.23Å; Q93-K96 WeakPolarHBondContact O-CB 3.06Å; Q93-K96 PolarHBondContact O-N 2.87Å
97G90.3Very high91.6Very high81 Ų8188.8 Ų88.884%0.83552%0.521SS*.THydrogen-bonded Turntrans86.8-0.3-177.700000114.9L95L95-G97 PolarHBondContact O-N 2.82Å
98V93.8Very high91.1Very high90 Ų9093 Ų9355%0.54553%0.528SS..  trans-81129.8171.6179.20000109.8L95L95-V98 HydrophobicContact CB-CB 4.25Å; L95-V98 HydrophobicContact CB-CG2 4.18Å; L95-V98 HydrophobicContact CD2-CG2 4.17Å; L95-V98 VanDerWaalsContact O-CB 3.29Å; L95-V98 WeakPolarHBondContact O-CB 3.29Å; L95-V98 WeakPolarHBondContact O-CG2 3.13Å; L95-V98 PolarHBondContact O-N 2.89Å
99T92.8Very high90.5Very high131 Ų13195.1 Ų95.180%0.80454%0.538SS*.  trans-94.8117.6174.4-61.20000110.6A101T99-A101 PolarHBondContact O-N 3.43Å
100I93.8Very high90Very high41 Ų4191.5 Ų91.521%0.2152%0.521CS..  trans-88.999.7173.5-60167.5000108.9P78 I81 L82 V85 S102 G103P78-I100 HydrophobicContact CB-CG2 4.34Å; I81-I100 HydrophobicContact CG2-CD1 4.14Å; L82-I100 HydrophobicContact CB-CD1 4.22Å; L82-I100 HydrophobicContact CB-CG2 4.45Å; L82-I100 HydrophobicContact CD1-CB 4.33Å; L82-I100 HydrophobicContact CD1-CD1 4.01Å; V85-I100 HydrophobicContact CB-CD1 4.33Å; V85-I100 HydrophobicContact CG2-CD1 4.29Å; I100-S102 PolarHBondContact O-N 2.89Å; I100-G103 PolarHBondContact O-N 2.84Å; I100-G103 VanDerWaalsContact O-N 3.09Å
101A94.1Very high89.2Confident75 Ų7587.8 Ų87.862%0.6251%0.509SS*.THydrogen-bonded Turntrans-57.2137.617900000111.5P78 T99 G103P78-A101 VanDerWaalsContact CB-O 3.23Å; P78-A101 WeakPolarHBondContact CB-O 3.25Å; T99-A101 PolarHBondContact O-N 3.43Å; A101-G103 PolarHBondContact O-N 3.08Å
102S94.1Very high88.8Confident110 Ų11094.6 Ų94.677%0.76954%0.541SS*.THydrogen-bonded Turntrans61.813.3-175.6-48.60000115.6I100 G104I100-S102 PolarHBondContact O-N 2.89Å; S102-G104 VanDerWaalsContact C-N 3.33Å
103G91.3Very high88Confident1 Ų197 Ų971%0.0155%0.552CS.*  trans-72.8-25.3175.400000114R79 L82 I100 A101R79-G103 WeakPolarHBondContact CA-O 3.45Å; R79-G103 WeakPolarHBondContact CB-O 3.31Å; R79-G103 WeakPolarHBondContact CG-O 3.41Å; R79-G103 PolarHBondContact NH1-O 2.89Å; L82-G103 VanDerWaalsContact CD2-C 3.41Å; L82-G103 VanDerWaalsContact CD2-O 3.24Å; L82-G103 WeakPolarHBondContact CD2-O 3.04Å; I100-G103 PolarHBondContact O-N 2.84Å; I100-G103 VanDerWaalsContact O-N 3.09Å; A101-G103 PolarHBondContact O-N 3.08Å
104G90.4Very high87.3Confident59 Ų5995 Ų9561%0.60855%0.545SS*.  trans75-151-17000000111.4L82 S102L82-G104 WeakPolarHBondContact CD2-O 3.31Å; S102-G104 VanDerWaalsContact C-N 3.33Å
105V86.8Confident86.5Confident117 Ų11794.9 Ų94.971%0.70956%0.559SS**  trans-120.4154176.4-63.70000110.7R79R79-V105 PolarHBondContact NH1-O 3.11Å; R79-V105 PolarHBondContact NH2-O 2.82Å
106L83.3Confident85Confident72 Ų72102.5 Ų102.538%0.37759%0.59SS.*  trans-62132.1169-97.3165.4000109.3L83 A86 R108L83-L106 HydrophobicContact CD2-CD2 3.89Å; A86-L106 HydrophobicContact CB-CD1 3.32Å; A86-L106 HydrophobicContact CB-CG 3.97Å; L106-R108 PolarHBondContact O-N 3.49Å; L106-R108 VanDerWaalsContact O-N 3.08Å
107P77.9Confident83Confident83 Ų83103.9 Ų103.954%0.53960%0.597SS.*  trans-60.2114.9173.7-20.333000109.9
108R79.8Confident80.7Confident211 Ų211112.4 Ų112.480%0.79660%0.603SS**  trans-122.2100.9172.5-173.9175.5-179.1165.22108.4L106L106-R108 PolarHBondContact O-N 3.49Å; L106-R108 VanDerWaalsContact O-N 3.08Å
109I81.7Confident78.6Confident93 Ų93112.2 Ų112.248%0.47762%0.62SS.*  trans-92.8120.1174.3-55.6175000106.7L113 L114I109-L113 HydrophobicContact CG2-CB 3.96Å; I109-L114 HydrophobicContact CB-CD2 4.35Å; I109-L114 HydrophobicContact CG2-CD2 3.7Å; I109-L114 HydrophobicContact CG2-CG 4.12Å
110Q82.7Confident76.1Confident95 Ų95109.8 Ų109.844%0.44461%0.613SS.*  trans-60.7136.5174.6-67.7-68.9800109.2E112 L113Q110-E112 WeakPolarHBondContact CB-OE2 3.23Å; Q110-E112 PolarHBondContact O-N 2.83Å; Q110-L113 HydrophobicContact CB-CD1 4.19Å; Q110-L113 HydrophobicContact CB-CG 4.25Å; Q110-L113 WeakPolarHBondContact O-CB 3.26Å; Q110-L113 PolarHBondContact O-N 3.29Å
111P78.7Confident73.6Confident62 Ų62118.4 Ų118.440%0.40365%0.649SS.*G310 helixtrans-52.9-30.3-177.9-27.535.4000113.8L113 L114P111-L113 PolarHBondContact O-N 3.1Å; P111-L114 WeakPolarHBondContact O-CB 3.44Å; P111-L114 PolarHBondContact O-N 2.78Å
112E84.9Confident70.9Confident153 Ų153118.4 Ų118.472%0.71566%0.656SS**G310 helixtrans-66.2-25.5178.1-61.372.8-157.700113.1Q110 L114Q110-E112 WeakPolarHBondContact CB-OE2 3.23Å; Q110-E112 PolarHBondContact O-N 2.83Å; E112-L114 VanDerWaalsContact C-N 3.35Å
113L77.4Confident68.1Low133 Ų133122.8 Ų122.870%0.69666%0.661SS**G310 helixtrans-87.1-8.3178.7-60.3176.6000112.5I109 Q110 P111 A115I109-L113 HydrophobicContact CG2-CB 3.96Å; Q110-L113 HydrophobicContact CB-CD1 4.19Å; Q110-L113 HydrophobicContact CB-CG 4.25Å; Q110-L113 WeakPolarHBondContact O-CB 3.26Å; Q110-L113 PolarHBondContact O-N 3.29Å; P111-L113 PolarHBondContact O-N 3.1Å; L113-A115 PolarHBondContact O-N 3.25Å
114L80.4Confident65.5Low78 Ų78127.4 Ų127.441%0.40869%0.694SS.*SBendtrans-79.7115.5171.5-59.7174.7000108.1I109 P111 E112 K116I109-L114 HydrophobicContact CB-CD2 4.35Å; I109-L114 HydrophobicContact CG2-CD2 3.7Å; I109-L114 HydrophobicContact CG2-CG 4.12Å; P111-L114 WeakPolarHBondContact O-CB 3.44Å; P111-L114 PolarHBondContact O-N 2.78Å; E112-L114 VanDerWaalsContact C-N 3.35Å; L114-K116 PolarHBondContact O-N 2.88Å; L114-K116 VanDerWaalsContact O-N 3.08Å
115A76.6Confident62.9Low102 Ų102132.3 Ų132.384%0.84370%0.7SS**  trans-55118.4-179.200000110.9L113 K117L113-A115 PolarHBondContact O-N 3.25Å; A115-K117 PolarHBondContact O-N 3.33Å
116K61.2Low60.4Low211 Ų211132.3 Ų132.392%0.91770%0.701SS**  trans-6498.1171.1-101.3179.9178.41720109L114 R118L114-K116 PolarHBondContact O-N 2.88Å; L114-K116 VanDerWaalsContact O-N 3.08Å; K116-R118 PolarHBondContact O-N 3.03Å
117K51.6Low58.3Low184 Ų184135.9 Ų135.980%0.872%0.719SS**  trans-60.5120169.8-144.3178.7-175.4-176.60107.8A115 G119A115-K117 PolarHBondContact O-N 3.33Å; K117-G119 PolarHBondContact O-N 3.01Å
118R42.2Very low56.5Low260 Ų260138.8 Ų138.898%0.98173%0.729SS**THydrogen-bonded Turntrans-56.3113.1172.7-99.9-179.1168.2178.8-2.9108.3K116K116-R118 PolarHBondContact O-N 3.03Å
119G49Very low54.5Low86 Ų86134.1 Ų134.189%0.88773%0.729SS**THydrogen-bonded Turntrans124.61.5169.700000118.3K117K117-G119 PolarHBondContact O-N 3.01Å
120A41.3Very low52.7Low80 Ų80135.3 Ų135.366%0.66174%0.742SS**  trans-118.1122176.800000111.9G122A120-G122 PolarHBondContact O-N 3.28Å; A120-G122 VanDerWaalsContact O-N 3.15Å
121K41.2Very low50.4Low221 Ų221137.1 Ų137.196%0.96176%0.76SS**  trans-64.2106.6162.1-78.8-178.2176.6178.70107.3
122G36.8Very low48.4Very low75 Ų75138.6 Ų138.677%0.77377%0.77SS**  trans-85.2121.9-175.500000112.9A120A120-G122 PolarHBondContact O-N 3.28Å; A120-G122 VanDerWaalsContact O-N 3.15Å
123K34.5Very low46Very low203 Ų203139.7 Ų139.788%0.88378%0.775SS**  trans-81.8130.7140.3-77.9-176.2176.1-177.30106.7E125K123-E125 PolarHBondContact O-N 3.18Å
124S38Very low43.9Very low98 Ų98143.4 Ų143.469%0.68579%0.785SS**  trans-80.191.8178.81740000109.2
125E34.8Very low41.6Very low161 Ų161149.3 Ų149.375%0.75281%0.808SS**  trans-112.9128.5159-80.1-176.2178.400109K123 I127K123-E125 PolarHBondContact O-N 3.18Å; E125-I127 VanDerWaalsContact C-N 3.34Å; E125-I127 PolarHBondContact O-N 3.32Å
126T35.2Very low39.3Very low117 Ų117148.1 Ų148.172%0.71881%0.806SS**  trans-62.386.8179.6-2.40000110L128T126-L128 PolarHBondContact O-N 3.13Å
127I38.2Very low37.7Very low147 Ų147150.2 Ų150.275%0.75481%0.808SS**  trans-86111.9172.1-65174.3000109.2E125E125-I127 VanDerWaalsContact C-N 3.34Å; E125-I127 PolarHBondContact O-N 3.32Å
128L41.5Very low36.6Very low145 Ų145151 Ų15176%0.75981%0.812SS**PPolyproline II helixtrans-50.7139.7162.1-73.4142.4000111T126T126-L128 PolarHBondContact O-N 3.13Å
129S37.4Very low35.8Very low113 Ų113143.6 Ų143.679%0.7980%0.8SS**PPolyproline II helixtrans-59.1157.4177.4400000114.2
130P42.9Very low34.8Very low117 Ų117148.6 Ų148.676%0.7680%0.802SS**PPolyproline II helixtrans-94.8159.9-149.436.8-35.3000115.3
131T35Very low34.1Very low133 Ų133151.2 Ų151.282%0.81681%0.809SS**PPolyproline II helixtrans-71.1143.9164.323.40000112.2
132P37.5Very low33.3Very low94 Ų94146.1 Ų146.161%0.6180%0.802SS**  trans-111.7118.1152.728-16.9000111
133E33.8Very low32.7Very low175 Ų175152 Ų15282%0.81881%0.806SS**  trans-81.1143.9159.9-75.9-167.715400110.8
134K33.4Very low32.3Very low211 Ų211152 Ų15292%0.91781%0.806SS**  trans-132115.8156.6-87.1-172.5176.2179.70108.9
135K31.6Very low31.6Very low202 Ų202153.1 Ų153.188%0.87881%0.814SS**  trans-70.3143.9159.4-82.3-178.9176.6175.90109.9
136G29.3Very low31.1Very low78 Ų78148.9 Ų148.980%0.80481%0.814SS**  trans-85.8-175.6-164.700000117.2
137R27.6Very low30.6Very low254 Ų254153.2 Ų153.296%0.95882%0.823SS**  trans-148.5135.5162.2-124.9177.5-177-179.60.5109.9
138K28Very low29.9Very low202 Ų202156.1 Ų156.188%0.87883%0.83SS**  trans-82.5151.7175.4-86.4-176.9175.5177.80112.2
139S25.8Very low29.1Very low104 Ų104154.2 Ų154.273%0.72784%0.835SS**  trans56.8122.1153.265.20000121
140M26.7Very low28.5Very low190 Ų190158.5 Ų158.594%0.93684%0.839SS**  -177.6154.4100.3-95.9-174.5-172.100112.2
141V26.2Very low27.6Very low135 Ų135158.8 Ų158.882%0.81884%0.844SS**  trans-74.6143-178.4172.80000111.7
142S25.7Very low27.2Very low115 Ų115157 Ų15780%0.80484%0.843SS**  146.1143.8127.465.70000115.2
143K24.2Very low26.6Very low197 Ų197162.7 Ų162.786%0.85786%0.858SS**  trans-55.1143.6174.1-73.3164.8162.9167.90113.4
144K25.5Very low26.2Very low204 Ų204159.6 Ų159.689%0.88786%0.862SS**  172.6149.4105.4-101.1179.6176.5176.10112.1
145S23.3Very low25.8Very low121 Ų121160.8 Ų160.885%0.84686%0.861SS**  trans-70.8154.8171.841.70000113.3
146G24.3Very low25.4Very low73 Ų73157.1 Ų157.175%0.75386%0.856SS**  trans142.6106.8148.500000119.1
147K25Very low25.4Very low208 Ų208158.9 Ų158.990%0.90485%0.853SS**  trans62.8120.4139.3-74-179.7175.7176.40123
148K23.6Very low25.3Very low208 Ų208156.5 Ų156.590%0.90485%0.85SS**  trans23.2129.8130.5-73.6-178.6174.7177.60119.4
149A25.4Very low25.2Very low105 Ų105157 Ų15787%0.86885%0.852SS**  -172.8162.7112.100000112.5
150K24.5Very low25.1Very low202 Ų202159.8 Ų159.888%0.87886%0.859SS**  trans-86.7178.6-163.4-69.5171.4166.4176.50114.5
151S24.1Very low25Very low123 Ų123160.6 Ų160.686%0.8686%0.857SS**  trans97.4143.1154.181.90000114.8
152A26.2Very low24.9Very low97 Ų97163.2 Ų163.280%0.80286%0.86SS**  cis-161.4163.9-10.900000108.1
153K25.6Very low24.8Very low213 Ų213166.9 Ų166.993%0.92686%0.862SS**  trans-53.5146.6174.1-89.8170.2166.81720114.4
154A24.8Very low24.8Very low109 Ų109164.7 Ų164.790%0.90186%0.86SS**  trans-157.7145.3133.800000111.8
155R24Very low24.8Very low236 Ų236160.6 Ų160.689%0.89186%0.856SS**  trans-97.8132.8-173.6-112.1174.8167.7-178.5-5.3110.2
156T23.2Very low25Very low125 Ų125163.8 Ų163.877%0.76786%0.858SS**  trans44.5163.8138.7490000121.6
157P30.3Very low25.1Very low116 Ų116170.2 Ų170.275%0.75387%0.865SS**  cis-138.3171.95.131.2-7000117.4
158K26.1Very low25.2Very low203 Ų203169.3 Ų169.388%0.88386%0.864SS**  trans19.8131.4151-76.3178.5172.4176.40121
159K24Very low25.2Very low212 Ų212162.9 Ų162.992%0.92286%0.857SS**  -161.8137.3123.7-113173.5-176179.40113.3
160N24.5Very low25.4Very low163 Ų163162 Ų16287%0.87285%0.849SS**  trans-52.7140.7171.8-95-9.5000112.7
161K24Very low25.8Very low207 Ų207157 Ų15790%0.984%0.84SS**  trans-151.4110.6143.9-134.5173.7-176.4177.70109.9
162Q25.3Very low26.1Very low191 Ų191156.9 Ų156.989%0.89383%0.83SS**  trans-55.3132.9157.9-91.9163.1-48.400108.9
163K23.2Very low26.7Very low192 Ų192158 Ų15884%0.83583%0.832SS**  trans-162.7123.6137.5-122.9-179.7177.9-172.80111
164D24.6Very low26.8Very low151 Ų151152 Ų15281%0.80781%0.813SS**  trans-17.2132.9162.9-52-52.6000116.8
165S24Very low27.1Very low117 Ų117150.8 Ų150.882%0.81880%0.798SS**  trans-156.9109.913640.60000108.3K167S165-K167 PolarHBondContact O-N 2.81Å
166E28.7Very low27.9Very low189 Ų189148.4 Ų148.488%0.88380%0.797SS**  trans-49.9129.5162.8-65.8163.6151.100109.5
167K25.9Very low29.4Very low207 Ų207147.4 Ų147.490%0.979%0.787SS**  trans-154.896.8139.8-121.9174.8-176.6177.70108.8S165 G169S165-K167 PolarHBondContact O-N 2.81Å; K167-G169 PolarHBondContact O-N 3.33Å; K167-G169 VanDerWaalsContact O-N 3.09Å
168E27.7Very low31.1Very low190 Ų190143.6 Ų143.689%0.88877%0.769SS**  trans-36.6106.6162-62172.8142.700110.7
169G24Very low33.6Very low73 Ų73134.1 Ų134.175%0.75373%0.728SS**  trans-91.185.4152.300000106.1K167 S171K167-G169 PolarHBondContact O-N 3.33Å; K167-G169 VanDerWaalsContact O-N 3.09Å; G169-S171 PolarHBondContact O-N 3.37Å
170A28.7Very low36.3Very low85 Ų85125 Ų12570%0.70269%0.693SS**  trans-53.9101.7175.400000109.7N172A170-N172 PolarHBondContact O-N 2.86Å
171S33Very low38.8Very low97 Ų97124.4 Ų124.468%0.67869%0.691SS**  trans-56108144.847.30000108.1G169G169-S171 PolarHBondContact O-N 3.37Å
172N29.6Very low41.5Very low121 Ų121116.6 Ų116.665%0.64767%0.668SS**  trans-117.381.8153.7-93.317.5000105.9A170 T174A170-N172 PolarHBondContact O-N 2.86Å; N172-T174 VanDerWaalsContact C-N 3.28Å; N172-T174 HydrophobicContact CB-CG2 4.44Å; N172-T174 PolarHBondContact ND2-OG1 3.02Å; N172-T174 WeakPolarHBondContact OD1-CG2 3.42Å
173S38.8Very low44.5Very low121 Ų121108.3 Ų108.385%0.84663%0.63SS**  -55.790.988.665.50000114.5
174T27.8Very low47.7Very low87 Ų87103.2 Ų103.253%0.53461%0.614SS.*  trans-130.7132.9146.356.20000102.5N172N172-T174 VanDerWaalsContact C-N 3.28Å; N172-T174 HydrophobicContact CB-CG2 4.44Å; N172-T174 PolarHBondContact ND2-OG1 3.02Å; N172-T174 WeakPolarHBondContact OD1-CG2 3.42Å
175S32.2Very low50.8Low84 Ų8499.1 Ų99.159%0.58759%0.592SS**  cis-163.9-164.514.717.50000103.1D177S175-D177 PolarHBondContact O-N 2.76Å; S175-D177 PolarHBondContact OG-OD2 2.86Å
176E41.2Very low53.9Low186 Ų18696.8 Ų96.887%0.86957%0.57SS**SBendtrans-58.830.2178.8-54.8-174.4133.100117
177D53.5Low56.7Low103 Ų10389.9 Ų89.955%0.55154%0.543SS*.  trans-103.513.7-163.8-67.9-56.5000115.5S175 Y350S175-D177 PolarHBondContact O-N 2.76Å; S175-D177 PolarHBondContact OG-OD2 2.86Å; D177-Y350 PolarHBondContact O-OH 2.76Å; D177-Y350 VanDerWaalsContact O-OH 3.08Å
178G66.8Low59.8Low36 Ų3682.9 Ų82.937%0.37152%0.52SS..SBendtrans-76.3161.717100000112G180G178-G180 PolarHBondContact O-N 2.94Å
179P77.4Confident62.8Low5 Ų575.9 Ų75.93%0.03249%0.486CS..  trans-63.92.3-175.924.9-34000115.4F183 I185 T200 M210 K211 Y350P179-F183 HydrophobicContact CB-CB 3.66Å; P179-F183 HydrophobicContact CB-CD1 4.43Å; P179-F183 HydrophobicContact CB-CG 3.96Å; P179-F183 HydrophobicContact CG-CB 3.52Å; P179-F183 HydrophobicContact CG-CG 4.37Å; P179-F183 WeakPolarHBondContact O-CD2 3.45Å; P179-I185 HydrophobicContact CG-CD1 4.41Å; P179-I185 HydrophobicContact CG-CG1 4.1Å; P179-T200 HydrophobicContact CB-CG2 4.39Å; P179-T200 HydrophobicContact CG-CG2 3.9Å; P179-M210 HydrophobicContact CB-CE 4.34Å; P179-M210 HydrophobicContact CB-CG 4.36Å; P179-M210 WeakPolarHBondContact O-CA 3.35Å; P179-K211 PolarHBondContact O-N 2.65Å; P179-Y350 HydrophobicContact CB-CE1 4.42Å; P179-Y350 HydrophobicContact CG-CE1 4.27Å
180G81.6Confident65.9Low19 Ų1976.2 Ų76.220%0.19648%0.477CS..  trans92.9-177177.900000113.5G178G178-G180 PolarHBondContact O-N 2.94Å
181D77.9Confident68.6Low152 Ų15272.5 Ų72.581%0.81345%0.445SS*.THydrogen-bonded Turntrans-67.5141.1178.5-68.9-22.3000110.7F183D181-F183 WeakPolarHBondContact O-CD2 3.39Å
182G79.8Confident70.7Confident42 Ų4274 Ų7443%0.43345%0.451SS..THydrogen-bonded Turntrans89.21.4-175.600000114.8
183F87.8Confident73Confident18 Ų1871.3 Ų71.38%0.07944%0.439CS..EExtended strand (participates in β ladder)trans-125.1120.4-178.9-62.7-89.7000111P179 D181 T200 Q201 S202 H206 M210 L352P179-F183 HydrophobicContact CB-CB 3.66Å; P179-F183 HydrophobicContact CB-CD1 4.43Å; P179-F183 HydrophobicContact CB-CG 3.96Å; P179-F183 HydrophobicContact CG-CB 3.52Å; P179-F183 HydrophobicContact CG-CG 4.37Å; P179-F183 WeakPolarHBondContact O-CD2 3.45Å; D181-F183 WeakPolarHBondContact O-CD2 3.39Å; F183-T200 HydrophobicContact CB-CG2 3.71Å; F183-T200 HydrophobicContact CD1-CG2 3.95Å; F183-T200 HydrophobicContact CG-CG2 4.32Å; F183-Q201 WeakPolarHBondContact CA-O 3.46Å; F183-S202 VanDerWaalsContact CE1-CB 3.45Å; F183-H206 HydrophobicContact CE2-CB 4.28Å; F183-H206 WeakPolarHBondContact CE2-O 3.5Å; F183-H206 HydrophobicContact CZ-CB 4.24Å; F183-H206 VanDerWaalsContact CZ-O 3.23Å; F183-H206 WeakPolarHBondContact CZ-O 3.48Å; F183-M210 HydrophobicContact CD1-CG 4.2Å; F183-M210 HydrophobicContact CD2-CG 4.49Å; F183-M210 HydrophobicContact CE1-CB 3.95Å; F183-M210 HydrophobicContact CE1-CG 3.8Å; F183-M210 HydrophobicContact CE1-SD 4.05Å; F183-M210 HydrophobicContact CE2-CB 3.76Å; F183-M210 HydrophobicContact CE2-CG 4.12Å; F183-M210 HydrophobicContact CZ-CB 3.42Å; F183-M210 VanDerWaalsContact CZ-CB 3.42Å; F183-M210 HydrophobicContact CZ-CG 3.78Å; F183-M210 HydrophobicContact CZ-SD 4.47Å; F183-L352 HydrophobicContact CD1-CD2 3.94Å; F183-L352 HydrophobicContact CE1-CD2 3.93Å
184T90.1Very high75.2Confident84 Ų8468 Ų6852%0.51543%0.425SS..EExtended strand (participates in β ladder)trans-109.8117.2179.3-57.30000110L186 T200 Q201T184-L186 HydrophobicContact CG2-CD2 4.33Å; T184-L186 PolarHBondContact O-N 3.05Å; T184-T200 CarbonylContact O-C 3.35Å; T184-T200 WeakPolarHBondContact O-CA 3.37Å; T184-Q201 PolarHBondContact N-O 2.94Å; T184-Q201 PolarHBondContact O-N 2.96Å
185I90.8Very high78.1Confident65 Ų6564.1 Ų64.133%0.33340%0.4SS..EExtended strand (participates in β ladder)trans-73115.5172.9-60.8175.2000108.5P179 L199 Y350P179-I185 HydrophobicContact CG-CD1 4.41Å; P179-I185 HydrophobicContact CG-CG1 4.1Å; I185-L199 CarbonylContact C-O 3.48Å; I185-L199 WeakPolarHBondContact CA-O 3.46Å; I185-Y350 HydrophobicContact CD1-CE1 4.37Å
186L89.2Confident81Confident68 Ų6863.4 Ų63.436%0.35639%0.387SS..EExtended strand (participates in β ladder)trans-85.2-41.8-179.8-61.1-177.8000112.4T184 L199 Q201 I359T184-L186 HydrophobicContact CG2-CD2 4.33Å; T184-L186 PolarHBondContact O-N 3.05Å; L186-L199 HydrophobicContact CB-CB 4.33Å; L186-L199 PolarHBondContact N-O 2.81Å; L186-Q201 HydrophobicContact CD1-CB 3.91Å; L186-Q201 HydrophobicContact CD2-CB 3.92Å; L186-Q201 HydrophobicContact CG-CB 3.88Å; L186-I359 HydrophobicContact CD1-CB 4.27Å; L186-I359 HydrophobicContact CD1-CD1 3.81Å; L186-I359 HydrophobicContact CD1-CG1 3.82Å; L186-I359 HydrophobicContact CD1-CG2 3.43Å; L186-I359 VanDerWaalsContact CD1-CG2 3.43Å
187S87.7Confident83.6Confident45 Ų4554.6 Ų54.632%0.31535%0.345SS..EExtended strand (participates in β ladder)trans-152.2148.6-177.9-178.40000108.9S198 L199S187-S198 CarbonylContact O-C 3.52Å; S187-S198 WeakPolarHBondContact O-CA 3.35Å; S187-L199 PolarHBondContact O-N 3.47Å
188S90.9Very high85.5Confident60 Ų6049.7 Ų49.742%0.4232%0.319SS..EExtended strand (participates in β ladder)trans-141146.2172.767.10000111.3K196 L197S188-K196 WeakPolarHBondContact OG-CE 3.4Å; S188-L197 CarbonylContact C-O 3.55Å; S188-L197 WeakPolarHBondContact CA-O 3.4Å; S188-L197 WeakPolarHBondContact CB-O 3.08Å
189K90.1Very high86.9Confident42 Ų4248 Ų4818%0.18330%0.302CS..EExtended strand (participates in β ladder)trans-135.4132.4179-168.7172.1-170.3134.30109.6L197 M366 L369 D370K189-L197 PolarHBondContact N-O 3.09Å; K189-L197 PolarHBondContact O-N 3.2Å; K189-M366 HydrophobicContact CB-CE 3.4Å; K189-M366 VanDerWaalsContact CB-CE 3.4Å; K189-M366 HydrophobicContact CD-CE 4.45Å; K189-M366 WeakPolarHBondContact CD-O 3.17Å; K189-M366 PolarHBondContact NZ-O 3.29Å; K189-L369 HydrophobicContact CD-CB 3.99Å; K189-L369 WeakPolarHBondContact CE-O 3.41Å; K189-L369 VanDerWaalsContact NZ-C 3.33Å; K189-L369 PolarHBondContact NZ-O 3.2Å; K189-D370 VanDerWaalsContact CE-CG 3.5Å; K189-D370 WeakPolarHBondContact CE-OD2 3.32Å; K189-D370 IonicContact NZ-OD2 2.72Å
190S89.9Confident87.6Confident80 Ų8047.7 Ų47.756%0.55930%0.3SS*.EExtended strand (participates in β ladder)trans-92.5126.7173.6-65.50000109.1Q195S190-Q195 CarbonylContact C-O 3.21Å; S190-Q195 WeakPolarHBondContact CA-O 3.24Å
191L85.7Confident88Confident7 Ų750.7 Ų50.74%0.03731%0.309CS..  trans-74.5157.6168.9-58.3-178.5000109.8P193 G194 Q195 L197 F338L191-P193 VanDerWaalsContact C-CD 3.43Å; L191-P193 VanDerWaalsContact C-N 3.34Å; L191-G194 WeakPolarHBondContact O-CA 3.47Å; L191-G194 PolarHBondContact O-N 3.46Å; L191-Q195 HydrophobicContact CD1-CB 4.34Å; L191-Q195 PolarHBondContact N-O 2.96Å; L191-L197 HydrophobicContact CD1-CD1 4.27Å; L191-L197 HydrophobicContact CD1-CD2 4.16Å; L191-L197 HydrophobicContact CD1-CG 4.19Å; L191-L197 HydrophobicContact CD2-CD1 3.89Å; L191-L197 HydrophobicContact CD2-CG 4.25Å; L191-L197 HydrophobicContact CG-CD1 4.22Å; L191-L197 HydrophobicContact CG-CG 4.07Å; L191-F338 HydrophobicContact CD1-CB 4.21Å; L191-F338 HydrophobicContact CD1-CD2 3.7Å; L191-F338 HydrophobicContact CD1-CG 4.35Å
192V75.4Confident88.3Confident130 Ų13044 Ų4479%0.78827%0.274SS*.THydrogen-bonded Turntrans-53.3-40.7-179.4-179.70000113.5G194V192-G194 PolarHBondContact O-N 3.41Å
193P78.3Confident88.6Confident63 Ų6346.2 Ų46.241%0.40928%0.276SS..THydrogen-bonded Turntrans-774.4177.9-4.922.2000113.9L191 Q195 F338L191-P193 VanDerWaalsContact C-CD 3.43Å; L191-P193 VanDerWaalsContact C-N 3.34Å; P193-Q195 VanDerWaalsContact C-OE1 3.31Å; P193-Q195 VanDerWaalsContact CB-OE1 3.24Å; P193-F338 HydrophobicContact CG-CB 4.49Å
194G84.3Confident88.6Confident52 Ų5247 Ų4754%0.53628%0.281SS..SBendtrans98.10.7171.200000115.5L191 V192L191-G194 WeakPolarHBondContact O-CA 3.47Å; L191-G194 PolarHBondContact O-N 3.46Å; V192-G194 PolarHBondContact O-N 3.41Å
195Q90.3Very high88.4Confident5 Ų546.4 Ų46.42%0.02328%0.28CS..  trans-70.6144.7173.4-61.180.43.400110.8S190 L191 P193 F338 K347 I349S190-Q195 CarbonylContact C-O 3.21Å; S190-Q195 WeakPolarHBondContact CA-O 3.24Å; L191-Q195 HydrophobicContact CD1-CB 4.34Å; L191-Q195 PolarHBondContact N-O 2.96Å; P193-Q195 VanDerWaalsContact C-OE1 3.31Å; P193-Q195 VanDerWaalsContact CB-OE1 3.24Å; Q195-F338 HydrophobicContact CB-CD2 4.35Å; Q195-F338 HydrophobicContact CB-CE2 4.41Å; Q195-F338 HydrophobicContact CG-CD1 3.79Å; Q195-F338 HydrophobicContact CG-CD2 4.11Å; Q195-F338 HydrophobicContact CG-CE1 3.89Å; Q195-F338 HydrophobicContact CG-CE2 4.17Å; Q195-F338 HydrophobicContact CG-CG 3.92Å; Q195-F338 HydrophobicContact CG-CZ 4.08Å; Q195-K347 CarbonylContact C-O 3.5Å; Q195-K347 WeakPolarHBondContact CA-O 3.48Å; Q195-I349 HydrophobicContact CB-CD1 3.96Å; Q195-I349 HydrophobicContact CG-CD1 4.43Å
196K93Very high88.2Confident70 Ų7047.3 Ų47.330%0.30428%0.282SS..EExtended strand (participates in β ladder)trans-109.6118.5178.9-172.2-178.5177-176.80110.5S188 K347 N348 I349S188-K196 WeakPolarHBondContact OG-CE 3.4Å; K196-K347 PolarHBondContact N-O 3.47Å; K196-N348 WeakPolarHBondContact O-CA 3.48Å; K196-I349 PolarHBondContact O-N 3.14Å
197L94.7Very high88.3Confident0 Ų044.2 Ų44.20%027%0.266CS..EExtended strand (participates in β ladder)trans-88.2127168.4-56.9-168.5000108.8S188 K189 L191 L331 I334 I349 F351 M366 L369S188-L197 CarbonylContact C-O 3.55Å; S188-L197 WeakPolarHBondContact CA-O 3.4Å; S188-L197 WeakPolarHBondContact CB-O 3.08Å; K189-L197 PolarHBondContact N-O 3.09Å; K189-L197 PolarHBondContact O-N 3.2Å; L191-L197 HydrophobicContact CD1-CD1 4.27Å; L191-L197 HydrophobicContact CD1-CD2 4.16Å; L191-L197 HydrophobicContact CD1-CG 4.19Å; L191-L197 HydrophobicContact CD2-CD1 3.89Å; L191-L197 HydrophobicContact CD2-CG 4.25Å; L191-L197 HydrophobicContact CG-CD1 4.22Å; L191-L197 HydrophobicContact CG-CG 4.07Å; L197-L331 HydrophobicContact CD1-CD2 4.27Å; L197-I334 HydrophobicContact CD2-CG2 3.73Å; L197-I349 CarbonylContact C-O 3.6Å; L197-I349 WeakPolarHBondContact CA-O 3.46Å; L197-I349 HydrophobicContact CD2-CB 3.73Å; L197-I349 HydrophobicContact CD2-CD1 3.9Å; L197-I349 HydrophobicContact CD2-CG1 4.18Å; L197-I349 HydrophobicContact CD2-CG2 4.27Å; L197-F351 HydrophobicContact CB-CE2 4.12Å; L197-F351 HydrophobicContact CD1-CE2 4.41Å; L197-F351 HydrophobicContact CD2-CE2 4.32Å; L197-M366 HydrophobicContact CB-CE 3.83Å; L197-L369 HydrophobicContact CD1-CD1 3.78Å
198S94.7Very high88.3Confident0 Ų042.8 Ų42.80%026%0.259CS..EExtended strand (participates in β ladder)trans-130.6119.4-178.9-57.50000111.6S187 T200 I349 Y350 F351S187-S198 CarbonylContact O-C 3.52Å; S187-S198 WeakPolarHBondContact O-CA 3.35Å; S198-T200 PolarHBondContact O-OG1 3.31Å; S198-I349 PolarHBondContact N-O 3.4Å; S198-Y350 WeakPolarHBondContact O-CA 3.24Å; S198-F351 PolarHBondContact O-N 3.35Å
199L94.5Very high88.3Confident0 Ų042.4 Ų42.40%026%0.256CS..EExtended strand (participates in β ladder)trans-75.5124.5168.7-57.2-173000108.7I185 L186 S187 F351 L353 Y362 V363 M366I185-L199 CarbonylContact C-O 3.48Å; I185-L199 WeakPolarHBondContact CA-O 3.46Å; L186-L199 HydrophobicContact CB-CB 4.33Å; L186-L199 PolarHBondContact N-O 2.81Å; S187-L199 PolarHBondContact O-N 3.47Å; L199-F351 HydrophobicContact CD2-CB 3.78Å; L199-F351 HydrophobicContact CD2-CD2 3.78Å; L199-F351 HydrophobicContact CD2-CG 4.07Å; L199-L353 HydrophobicContact CB-CD1 4.42Å; L199-L353 HydrophobicContact CD2-CD1 4.14Å; L199-Y362 HydrophobicContact CD2-CD1 3.91Å; L199-Y362 HydrophobicContact CD2-CG 4.21Å; L199-V363 HydrophobicContact CD1-CB 4.31Å; L199-V363 HydrophobicContact CD1-CG2 3.54Å; L199-M366 HydrophobicContact CD1-SD 3.77Å; L199-M366 HydrophobicContact CD2-CG 4.32Å; L199-M366 HydrophobicContact CD2-SD 3.21Å; L199-M366 WeakPolarHBondContact CD2-SD 3.4Å; L199-M366 HydrophobicContact CG-SD 3.3Å; L199-M366 WeakPolarHBondContact CG-SD 3.4Å
200T92.9Very high88.4Confident0 Ų040.4 Ų40.40%025%0.248CC..EExtended strand (participates in β ladder)trans-126.6113.3-172.9-51.90000109.3P179 F183 T184 S198 Y350 F351 L352 L353P179-T200 HydrophobicContact CB-CG2 4.39Å; P179-T200 HydrophobicContact CG-CG2 3.9Å; F183-T200 HydrophobicContact CB-CG2 3.71Å; F183-T200 HydrophobicContact CD1-CG2 3.95Å; F183-T200 HydrophobicContact CG-CG2 4.32Å; T184-T200 CarbonylContact O-C 3.35Å; T184-T200 WeakPolarHBondContact O-CA 3.37Å; S198-T200 PolarHBondContact O-OG1 3.31Å; T200-Y350 WeakPolarHBondContact OG1-CD1 3.33Å; T200-F351 PolarHBondContact N-O 3.11Å; T200-L352 HydrophobicContact CG2-CD2 4.2Å; T200-L352 WeakPolarHBondContact O-CA 3.39Å; T200-L353 PolarHBondContact O-N 2.72Å
201Q90.1Very high88.6Confident82 Ų8242.8 Ų42.838%0.38325%0.248SC..EExtended strand (participates in β ladder)trans-74.3134.3168.2-170.3175.415.600109.2F183 T184 L186 L353 I359F183-Q201 WeakPolarHBondContact CA-O 3.46Å; T184-Q201 PolarHBondContact N-O 2.94Å; T184-Q201 PolarHBondContact O-N 2.96Å; L186-Q201 HydrophobicContact CD1-CB 3.91Å; L186-Q201 HydrophobicContact CD2-CB 3.92Å; L186-Q201 HydrophobicContact CG-CB 3.88Å; Q201-L353 WeakPolarHBondContact CA-O 3.5Å; Q201-I359 HydrophobicContact CG-CD1 4.14Å
202S83.3Confident89Confident12 Ų1242.7 Ų42.78%0.08425%0.247CC..EExtended strand (participates in β ladder)trans-152.8170.4174.854.40000110.7F183 L353 F354F183-S202 VanDerWaalsContact CE1-CB 3.45Å; S202-L353 PolarHBondContact N-O 3.47Å; S202-F354 WeakPolarHBondContact O-CD1 3.17Å; S202-F354 WeakPolarHBondContact OG-CE1 3.09Å
203D86.4Confident90Very high87 Ų8738.1 Ų38.147%0.46522%0.218SC..  trans-100.1134.4162.6-178-41000107.7S205 H206D203-S205 PolarHBondContact O-N 3.19Å; D203-S205 VanDerWaalsContact O-N 3.07Å; D203-S205 WeakPolarHBondContact OD1-CB 3.43Å; D203-S205 PolarHBondContact OD1-N 3.36Å; D203-S205 PolarHBondContact OD1-OG 2.93Å; D203-H206 PolarHBondContact O-N 3.45Å
204I87.6Confident90.9Very high36 Ų3635.1 Ų35.119%0.18520%0.198CC..G310 helixtrans-55.3-28.7-178.2-159.9174.3000113.2H206 I207 E228 A232 F354I204-H206 PolarHBondContact O-N 3.35Å; I204-I207 WeakPolarHBondContact O-CB 3.37Å; I204-I207 WeakPolarHBondContact O-CG2 3.45Å; I204-I207 PolarHBondContact O-N 3.15Å; I204-E228 HydrophobicContact CD1-CB 3.47Å; I204-E228 VanDerWaalsContact CD1-CB 3.47Å; I204-E228 WeakPolarHBondContact CD1-O 3.37Å; I204-A232 HydrophobicContact CD1-CB 4.28Å; I204-A232 HydrophobicContact CG1-CB 3.8Å; I204-F354 HydrophobicContact CB-CD1 4.35Å; I204-F354 HydrophobicContact CB-CD2 4.33Å; I204-F354 HydrophobicContact CB-CE1 3.99Å; I204-F354 HydrophobicContact CB-CE2 3.98Å; I204-F354 HydrophobicContact CB-CZ 3.81Å; I204-F354 HydrophobicContact CD1-CD2 4.42Å; I204-F354 HydrophobicContact CD1-CE2 3.76Å; I204-F354 HydrophobicContact CD1-CZ 4.14Å; I204-F354 HydrophobicContact CG1-CE1 4.29Å; I204-F354 HydrophobicContact CG1-CE2 3.78Å; I204-F354 HydrophobicContact CG1-CZ 3.64Å
205S86.8Confident91.5Very high71 Ų7132.7 Ų32.750%0.49717%0.173SC..G310 helixtrans-63-21.3177.158.60000114D203D203-S205 PolarHBondContact O-N 3.19Å; D203-S205 VanDerWaalsContact O-N 3.07Å; D203-S205 WeakPolarHBondContact OD1-CB 3.43Å; D203-S205 PolarHBondContact OD1-N 3.36Å; D203-S205 PolarHBondContact OD1-OG 2.93Å
206H87.6Confident91.9Very high84 Ų8432.5 Ų32.539%0.38917%0.172SC..G310 helixtrans-94.54.9180-63.186.4000113.2F183 D203 I204 G208 S209F183-H206 HydrophobicContact CE2-CB 4.28Å; F183-H206 WeakPolarHBondContact CE2-O 3.5Å; F183-H206 HydrophobicContact CZ-CB 4.24Å; F183-H206 VanDerWaalsContact CZ-O 3.23Å; F183-H206 WeakPolarHBondContact CZ-O 3.48Å; D203-H206 PolarHBondContact O-N 3.45Å; I204-H206 PolarHBondContact O-N 3.35Å; H206-G208 PolarHBondContact O-N 2.93Å; H206-S209 PolarHBondContact O-N 3.33Å; H206-S209 PolarHBondContact O-OG 3.37Å
207I89.4Confident92Very high2 Ų229.2 Ų29.21%0.0116%0.157CC..G310 helixtrans-53-33-177.1-164.465.9000113.1I204 S209 M210 I215 I229 A232 L233 L352I204-I207 WeakPolarHBondContact O-CB 3.37Å; I204-I207 WeakPolarHBondContact O-CG2 3.45Å; I204-I207 PolarHBondContact O-N 3.15Å; I207-S209 VanDerWaalsContact C-N 3.32Å; I207-S209 PolarHBondContact O-N 2.93Å; I207-M210 HydrophobicContact CD1-SD 4.45Å; I207-M210 WeakPolarHBondContact O-CB 3.49Å; I207-M210 PolarHBondContact O-N 2.92Å; I207-I215 HydrophobicContact CD1-CD1 4.33Å; I207-I215 HydrophobicContact CD1-CG2 4.3Å; I207-I215 HydrophobicContact CG1-CD1 4.18Å; I207-I215 HydrophobicContact CG1-CG2 4.48Å; I207-I229 HydrophobicContact CD1-CD1 4.02Å; I207-I229 HydrophobicContact CG1-CD1 3.92Å; I207-A232 HydrophobicContact CG2-CB 3.65Å; I207-L233 HydrophobicContact CG1-CD2 4.19Å; I207-L233 HydrophobicContact CG2-CD2 4.42Å; I207-L352 HydrophobicContact CD1-CD1 3.3Å
208G88.9Confident92Very high16 Ų1629.2 Ų29.217%0.16516%0.158CC..G310 helixtrans-69.2-23.2179.300000115.3H206 A269H206-G208 PolarHBondContact O-N 2.93Å; G208-A269 WeakPolarHBondContact O-CB 3.27Å; G208-A269 PolarHBondContact O-N 3.43Å
209S91.4Very high92Very high52 Ų5229.5 Ų29.536%0.36416%0.16SC..G310 helixtrans-94.93.5178.157.10000113.6H206 I207 K211H206-S209 PolarHBondContact O-N 3.33Å; H206-S209 PolarHBondContact O-OG 3.37Å; I207-S209 VanDerWaalsContact C-N 3.32Å; I207-S209 PolarHBondContact O-N 2.93Å; S209-K211 PolarHBondContact O-N 3.27Å
210M91.8Very high91.9Very high0 Ų032.2 Ų32.20%018%0.176CC..  trans-67.3120.1-178.9-166.7-177.5171.300111.7P179 F183 I207 V212 A269 A310 Y350 L352P179-M210 HydrophobicContact CB-CE 4.34Å; P179-M210 HydrophobicContact CB-CG 4.36Å; P179-M210 WeakPolarHBondContact O-CA 3.35Å; F183-M210 HydrophobicContact CD1-CG 4.2Å; F183-M210 HydrophobicContact CD2-CG 4.49Å; F183-M210 HydrophobicContact CE1-CB 3.95Å; F183-M210 HydrophobicContact CE1-CG 3.8Å; F183-M210 HydrophobicContact CE1-SD 4.05Å; F183-M210 HydrophobicContact CE2-CB 3.76Å; F183-M210 HydrophobicContact CE2-CG 4.12Å; F183-M210 HydrophobicContact CZ-CB 3.42Å; F183-M210 VanDerWaalsContact CZ-CB 3.42Å; F183-M210 HydrophobicContact CZ-CG 3.78Å; F183-M210 HydrophobicContact CZ-SD 4.47Å; I207-M210 HydrophobicContact CD1-SD 4.45Å; I207-M210 WeakPolarHBondContact O-CB 3.49Å; I207-M210 PolarHBondContact O-N 2.92Å; M210-V212 VanDerWaalsContact C-N 3.28Å; M210-V212 HydrophobicContact CB-CG1 4.33Å; M210-V212 HydrophobicContact CE-CB 3.84Å; M210-V212 HydrophobicContact CE-CG1 3.82Å; M210-V212 HydrophobicContact CE-CG2 4.29Å; M210-V212 HydrophobicContact CG-CB 4.24Å; M210-V212 HydrophobicContact CG-CG1 3.84Å; M210-V212 PolarHBondContact O-N 3.3Å; M210-V212 HydrophobicContact SD-CB 4.27Å; M210-V212 HydrophobicContact SD-CG1 3.63Å; M210-A269 WeakPolarHBondContact O-CB 3.5Å; M210-A310 HydrophobicContact CE-CB 3.3Å; M210-A310 HydrophobicContact SD-CB 3.71Å; M210-Y350 HydrophobicContact CE-CD2 4.13Å; M210-Y350 HydrophobicContact CE-CG 3.97Å; M210-L352 HydrophobicContact CE-CD1 4.38Å; M210-L352 HydrophobicContact CE-CD2 3.63Å; M210-L352 HydrophobicContact CE-CG 4.22Å; M210-L352 HydrophobicContact SD-CD1 3.7Å; M210-L352 HydrophobicContact SD-CD2 3.7Å; M210-L352 HydrophobicContact SD-CG 4.13Å
211K92.7Very high92Very high129 Ų12933.5 Ų33.556%0.56119%0.187SC*.  trans-79.674.8175.8-64.2-176179.2-179.10111P179 S209P179-K211 PolarHBondContact O-N 2.65Å; S209-K211 PolarHBondContact O-N 3.27Å
212V95Very high92.2Very high5 Ų535.7 Ų35.73%0.0320%0.197CC..  trans-136.6151174.868.40000109.1M210 I215 A270 S308 A310 Y350M210-V212 VanDerWaalsContact C-N 3.28Å; M210-V212 HydrophobicContact CB-CG1 4.33Å; M210-V212 HydrophobicContact CE-CB 3.84Å; M210-V212 HydrophobicContact CE-CG1 3.82Å; M210-V212 HydrophobicContact CE-CG2 4.29Å; M210-V212 HydrophobicContact CG-CB 4.24Å; M210-V212 HydrophobicContact CG-CG1 3.84Å; M210-V212 PolarHBondContact O-N 3.3Å; M210-V212 HydrophobicContact SD-CB 4.27Å; M210-V212 HydrophobicContact SD-CG1 3.63Å; V212-I215 HydrophobicContact CG1-CD1 4.18Å; V212-I215 HydrophobicContact CG1-CG1 3.52Å; V212-A270 HydrophobicContact CG1-CB 4.31Å; V212-A270 WeakPolarHBondContact O-CA 2.96Å; V212-A270 WeakPolarHBondContact O-CB 3.5Å; V212-S308 WeakPolarHBondContact CG2-OG 3.43Å; V212-A310 HydrophobicContact CG1-CB 4.02Å; V212-A310 HydrophobicContact CG2-CB 4.1Å; V212-Y350 HydrophobicContact CG2-CD2 3.98Å; V212-Y350 HydrophobicContact CG2-CE2 4.38Å
213E97.2Very high92.7Very high35 Ų3535.1 Ų35.116%0.16419%0.193CC..SBendtrans-80-32-176.9-61-164.5144.500113.3K271 F272 L306 K307 S308E213-K271 HydrophobicContact CB-CD 4.34Å; E213-K271 HydrophobicContact CG-CD 4.34Å; E213-K271 WeakPolarHBondContact O-CB 3.3Å; E213-K271 PolarHBondContact O-N 3.11Å; E213-K271 IonicContact OE1-NZ 2.73Å; E213-K271 PolarHBondContact OE1-NZ 3.5Å; E213-F272 PolarHBondContact O-N 3.18Å; E213-F272 VanDerWaalsContact O-N 3.11Å; E213-L306 HydrophobicContact CB-CB 4.14Å; E213-L306 HydrophobicContact CB-CD1 4.48Å; E213-L306 HydrophobicContact CB-CD2 4.05Å; E213-L306 HydrophobicContact CB-CG 4.42Å; E213-L306 VanDerWaalsContact OE2-CA 3.23Å; E213-L306 WeakPolarHBondContact OE2-CA 3.21Å; E213-K307 PolarHBondContact OE2-N 2.91Å; E213-S308 PolarHBondContact N-O 2.81Å; E213-S308 PolarHBondContact N-OG 2.82Å
214G96.9Very high93Very high0 Ų031.9 Ų31.90%018%0.176CC..EExtended strand (participates in β ladder)trans-130.9138.1175.800000112.8F272 S308 V309 A310G214-F272 WeakPolarHBondContact CA-O 3.43Å; G214-S308 PolarHBondContact N-O 3.18Å; G214-S308 VanDerWaalsContact N-O 3.1Å; G214-V309 CarbonylContact O-C 3.53Å; G214-V309 VanDerWaalsContact O-CA 3.32Å; G214-V309 WeakPolarHBondContact O-CA 3.23Å; G214-A310 PolarHBondContact O-N 2.8Å
215I97.1Very high93.2Very high0 Ų030.7 Ų30.70%017%0.17CC..EExtended strand (participates in β ladder)trans-115.1125.6171.9-61.2172.2000108.6I207 V212 L233 A270 F272 V273 I274 A310I207-I215 HydrophobicContact CD1-CD1 4.33Å; I207-I215 HydrophobicContact CD1-CG2 4.3Å; I207-I215 HydrophobicContact CG1-CD1 4.18Å; I207-I215 HydrophobicContact CG1-CG2 4.48Å; V212-I215 HydrophobicContact CG1-CD1 4.18Å; V212-I215 HydrophobicContact CG1-CG1 3.52Å; I215-L233 HydrophobicContact CD1-CD2 4.48Å; I215-L233 HydrophobicContact CG2-CD2 4.33Å; I215-A270 HydrophobicContact CD1-CB 3.62Å; I215-A270 HydrophobicContact CG1-CB 3.74Å; I215-F272 PolarHBondContact N-O 2.99Å; I215-V273 CarbonylContact O-C 3.53Å; I215-V273 VanDerWaalsContact O-CA 3.3Å; I215-V273 WeakPolarHBondContact O-CA 3.42Å; I215-I274 PolarHBondContact O-N 2.77Å; I215-A310 HydrophobicContact CG1-CB 4.49Å
216V97.6Very high93.3Very high1 Ų133.9 Ų33.91%0.00618%0.175CC..EExtended strand (participates in β ladder)trans-77.3139.4174.51780000109.4I274 C297 V309 A310 F311 P312V216-I274 CarbonylContact C-O 3.45Å; V216-I274 WeakPolarHBondContact CA-O 3.42Å; V216-I274 HydrophobicContact CG2-CB 4.31Å; V216-I274 HydrophobicContact CG2-CD1 4.42Å; V216-C297 HydrophobicContact CG2-CB 4.23Å; V216-V309 HydrophobicContact CG2-CG2 3.89Å; V216-A310 WeakPolarHBondContact CB-O 3.22Å; V216-A310 WeakPolarHBondContact CG2-O 3.34Å; V216-A310 PolarHBondContact N-O 2.9Å; V216-F311 HydrophobicContact CB-CD1 4.12Å; V216-F311 HydrophobicContact CB-CE1 4.42Å; V216-F311 HydrophobicContact CG1-CD1 4.15Å; V216-F311 HydrophobicContact CG1-CE1 4.34Å; V216-F311 HydrophobicContact CG2-CD1 3.83Å; V216-F311 HydrophobicContact CG2-CE1 3.74Å; V216-F311 HydrophobicContact CG2-CE2 4.49Å; V216-F311 HydrophobicContact CG2-CG 4.26Å; V216-F311 HydrophobicContact CG2-CZ 4.09Å; V216-P312 WeakPolarHBondContact O-CD 3.3Å; V216-P312 WeakPolarHBondContact O-CG 3.43Å
217H96.2Very high93.4Very high1 Ų133.4 Ų33.41%0.00517%0.173CC..EExtended strand (participates in β ladder)trans-125.996.2176.2171.6-144.4000108.9T219 D224 L225 L233 V273 I274 H275 C276H217-T219 PolarHBondContact O-N 2.72Å; H217-D224 PolarHBondContact CE1-O 3.35Å; H217-D224 VanDerWaalsContact CE1-O 3.24Å; H217-D224 PolarHBondContact NE2-O 3.32Å; H217-L225 VanDerWaalsContact CE1-CD2 3.42Å; H217-L225 WeakPolarHBondContact CE1-CD2 3.21Å; H217-L233 HydrophobicContact CB-CD1 3.88Å; H217-V273 HydrophobicContact CB-CG1 3.65Å; H217-I274 PolarHBondContact N-O 3.18Å; H217-H275 AromaticContact CE1-ND1 3.81Å; H217-H275 AromaticContact CG-ND1 3.93Å; H217-H275 AromaticContact ND1-CE1 3.45Å; H217-H275 PolarHBondContact ND1-CE1 2.78Å; H217-H275 AromaticContact ND1-ND1 2.95Å; H217-H275 PolarHBondContact ND1-ND1 2.81Å; H217-H275 WeakPolarHBondContact O-CA 3.19Å; H217-C276 PolarHBondContact O-N 3.5Å
218P95Very high93.4Very high1 Ų140.2 Ų40.21%0.00620%0.204CC..EExtended strand (participates in β ladder)trans-60.2126.3169.1-20.833.5000109.9I278 P312 F314 P315P218-I278 HydrophobicContact CB-CD1 4.18Å; P218-I278 HydrophobicContact CB-CG2 3.94Å; P218-P312 VanDerWaalsContact CD-CG 3.47Å; P218-P312 HydrophobicContact CG-CG 3.96Å; P218-F314 HydrophobicContact CB-CD1 4.36Å; P218-F314 HydrophobicContact CB-CE1 4.41Å; P218-F314 HydrophobicContact CG-CD1 4.27Å; P218-F314 HydrophobicContact CG-CE1 4.19Å; P218-P315 HydrophobicContact CB-CG 4.21Å
219T94Very high93.5Very high6 Ų640 Ų404%0.03720%0.199CC..EExtended strand (participates in β ladder)trans-152.1-171.6-175.8-170.70000110.6H217 I223 D224 H275 C276 H277 I278H217-T219 PolarHBondContact O-N 2.72Å; T219-I223 HydrophobicContact CG2-CB 4.48Å; T219-I223 HydrophobicContact CG2-CG2 4.24Å; T219-I223 VanDerWaalsContact OG1-C 3.3Å; T219-I223 WeakPolarHBondContact OG1-CA 3.23Å; T219-D224 PolarHBondContact OG1-N 2.74Å; T219-D224 PolarHBondContact OG1-O 3.47Å; T219-H275 HydrophobicContact CG2-CB 4.23Å; T219-C276 PolarHBondContact N-O 3.07Å; T219-H277 WeakPolarHBondContact O-CA 3.29Å; T219-I278 PolarHBondContact O-N 2.97Å
220T92.8Very high93.6Very high56 Ų5637.5 Ų37.534%0.34418%0.182SC..  trans-102.4179.8177.570.20000111.5E222 I223 D224T220-E222 PolarHBondContact O-N 2.9Å; T220-E222 PolarHBondContact OG1-N 3.4Å; T220-I223 PolarHBondContact O-N 3.08Å; T220-D224 WeakPolarHBondContact CG2-OD2 3.27Å; T220-D224 PolarHBondContact OG1-OD2 3.43Å
221A94.3Very high93.7Very high28 Ų2843.4 Ų43.423%0.23121%0.208CC..THydrogen-bonded Turntrans-49.9-31.4173.100000113.6I223 P254 L255 H277A221-I223 VanDerWaalsContact C-N 3.29Å; A221-I223 PolarHBondContact O-N 2.94Å; A221-P254 HydrophobicContact CB-CB 4.2Å; A221-P254 CarbonylContact O-C 3.54Å; A221-P254 VanDerWaalsContact O-CA 3.29Å; A221-P254 WeakPolarHBondContact O-CA 3.46Å; A221-L255 WeakPolarHBondContact CA-O 3.37Å; A221-L255 WeakPolarHBondContact CB-O 3.46Å; A221-L255 PolarHBondContact O-N 3.41Å; A221-H277 PolarHBondContact N-CD2 2.95Å; A221-H277 PolarHBondContact N-NE2 3.12Å
222E94Very high93.8Very high127 Ų12737.9 Ų37.959%0.59319%0.186SC*.THydrogen-bonded Turntrans-82.8-2.9-178.6-63.4-177.9178.200113.6T220 D224 R249T220-E222 PolarHBondContact O-N 2.9Å; T220-E222 PolarHBondContact OG1-N 3.4Å; E222-D224 PolarHBondContact O-N 2.61Å; E222-R249 WeakPolarHBondContact O-CD 3.24Å; E222-R249 PolarHBondContact O-NE 3.3Å
223I94.4Very high93.7Very high0 Ų037.6 Ų37.60%018%0.184CC..  trans54.739.9-174.9-42.1-178.4000110.9T219 T220 A221 V245 L248 R249 L255 H275T219-I223 HydrophobicContact CG2-CB 4.48Å; T219-I223 HydrophobicContact CG2-CG2 4.24Å; T219-I223 VanDerWaalsContact OG1-C 3.3Å; T219-I223 WeakPolarHBondContact OG1-CA 3.23Å; T220-I223 PolarHBondContact O-N 3.08Å; A221-I223 VanDerWaalsContact C-N 3.29Å; A221-I223 PolarHBondContact O-N 2.94Å; I223-V245 HydrophobicContact CG2-CG1 4.04Å; I223-L248 HydrophobicContact CD1-CD2 3.78Å; I223-L248 HydrophobicContact CD1-CG 4.11Å; I223-R249 HydrophobicContact CB-CG 4.02Å; I223-R249 HydrophobicContact CD1-CG 4.11Å; I223-R249 HydrophobicContact CG1-CG 4.24Å; I223-R249 PolarHBondContact O-NE 3.31Å; I223-R249 PolarHBondContact O-NH2 3.01Å; I223-L255 HydrophobicContact CD1-CD1 3.88Å; I223-L255 HydrophobicContact CD1-CD2 4.37Å; I223-L255 HydrophobicContact CD1-CG 3.9Å; I223-L255 HydrophobicContact CG1-CD1 3.71Å; I223-L255 HydrophobicContact CG1-CG 3.89Å; I223-H275 HydrophobicContact CG2-CB 3.79Å; I223-H275 WeakPolarHBondContact CG2-ND1 3.5Å
224D91.7Very high93.6Very high20 Ų2039.4 Ų39.411%0.10719%0.192CC..  trans-73.5156.2-177.178.694.6000112.4H217 T219 T220 E222 K226H217-D224 PolarHBondContact CE1-O 3.35Å; H217-D224 VanDerWaalsContact CE1-O 3.24Å; H217-D224 PolarHBondContact NE2-O 3.32Å; T219-D224 PolarHBondContact OG1-N 2.74Å; T219-D224 PolarHBondContact OG1-O 3.47Å; T220-D224 WeakPolarHBondContact CG2-OD2 3.27Å; T220-D224 PolarHBondContact OG1-OD2 3.43Å; E222-D224 PolarHBondContact O-N 2.61Å; D224-K226 HydrophobicContact CB-CD 4.43Å; D224-K226 HydrophobicContact CB-CG 4.37Å; D224-K226 WeakPolarHBondContact OD1-CB 3.35Å; D224-K226 WeakPolarHBondContact OD1-CD 3.32Å; D224-K226 WeakPolarHBondContact OD1-CG 3.49Å; D224-K226 PolarHBondContact OD1-N 2.53Å; D224-K226 VanDerWaalsContact OD1-N 3.13Å
225L92.8Very high93.5Very high11 Ų1148 Ų486%0.05823%0.23CC..  trans-11023.9-176.1-65.3164.9000111.6H217 E227 G230 K231 E234 F241 L242H217-L225 VanDerWaalsContact CE1-CD2 3.42Å; H217-L225 WeakPolarHBondContact CE1-CD2 3.21Å; L225-E227 PolarHBondContact O-N 3.05Å; L225-G230 CarbonylContact O-C 3.57Å; L225-K231 PolarHBondContact O-N 3.4Å; L225-E234 HydrophobicContact CD1-CB 4.25Å; L225-F241 HydrophobicContact CD1-CE1 4.2Å; L225-F241 HydrophobicContact CD2-CE1 3.98Å; L225-F241 HydrophobicContact CD2-CZ 4.48Å; L225-L242 HydrophobicContact CD1-CD2 3.58Å
226K89.5Confident93.4Very high138 Ų13849.8 Ų49.860%0.625%0.245SC*.  trans-75.5-27.1-168.9-64.7169.9-172.8156.40113.4D224 K231D224-K226 HydrophobicContact CB-CD 4.43Å; D224-K226 HydrophobicContact CB-CG 4.37Å; D224-K226 WeakPolarHBondContact OD1-CB 3.35Å; D224-K226 WeakPolarHBondContact OD1-CD 3.32Å; D224-K226 WeakPolarHBondContact OD1-CG 3.49Å; D224-K226 PolarHBondContact OD1-N 2.53Å; D224-K226 VanDerWaalsContact OD1-N 3.13Å; K226-K231 WeakPolarHBondContact O-CE 3.47Å; K226-K231 PolarHBondContact O-NZ 2.94Å
227E88.2Confident93.1Very high74 Ų7450.1 Ų50.135%0.34625%0.248SC..SBendtrans-75.1169.7-179.3-62.2-167.4162.800112.2L225 I229 G230 K231 P315L225-E227 PolarHBondContact O-N 3.05Å; E227-I229 VanDerWaalsContact C-N 3.32Å; E227-I229 PolarHBondContact O-N 2.88Å; E227-G230 PolarHBondContact O-N 3.09Å; E227-K231 WeakPolarHBondContact O-CG 3.36Å; E227-K231 PolarHBondContact O-N 3.14Å; E227-P315 WeakPolarHBondContact OE2-CB 3.32Å; E227-P315 WeakPolarHBondContact OE2-CG 3.45Å
228E89.4Confident93Very high144 Ų14451.4 Ų51.467%0.67326%0.262SS*.Hα-helixtrans-58.3-44-173.4-60.1-169.6157.500112.1I204 K231 A232I204-E228 HydrophobicContact CD1-CB 3.47Å; I204-E228 VanDerWaalsContact CD1-CB 3.47Å; I204-E228 WeakPolarHBondContact CD1-O 3.37Å; E228-K231 PolarHBondContact O-N 3.5Å; E228-A232 WeakPolarHBondContact O-CB 3.26Å; E228-A232 PolarHBondContact O-N 3.14Å
229I91.7Very high93Very high12 Ų1259.5 Ų59.56%0.06230%0.297CS..Hα-helixtrans-67.3-41.1178.3-17265.2000111.6I207 E227 K231 A232 L233 P312I207-I229 HydrophobicContact CD1-CD1 4.02Å; I207-I229 HydrophobicContact CG1-CD1 3.92Å; E227-I229 VanDerWaalsContact C-N 3.32Å; E227-I229 PolarHBondContact O-N 2.88Å; I229-K231 PolarHBondContact O-N 3.5Å; I229-A232 PolarHBondContact O-N 2.99Å; I229-L233 HydrophobicContact CG1-CD1 4.18Å; I229-L233 VanDerWaalsContact O-CG 3.31Å; I229-L233 WeakPolarHBondContact O-CG 3.3Å; I229-L233 PolarHBondContact O-N 2.94Å; I229-P312 HydrophobicContact CD1-CB 3.96Å; I229-P312 HydrophobicContact CD1-CG 4.47Å; I229-P312 HydrophobicContact CG1-CB 4.02Å; I229-P312 HydrophobicContact CG1-CG 4.1Å
230G93.3Very high92.9Very high0 Ų065.1 Ų65.10%032%0.323CS..Hα-helixtrans-61.4-45.217700000111.8L225 E227 A232 L233 E234L225-G230 CarbonylContact O-C 3.57Å; E227-G230 PolarHBondContact O-N 3.09Å; G230-A232 PolarHBondContact O-N 3.38Å; G230-L233 PolarHBondContact O-N 3.27Å; G230-E234 WeakPolarHBondContact O-CB 3.4Å; G230-E234 PolarHBondContact O-N 3.29Å
231K93.9Very high93Very high124 Ų12462.5 Ų62.554%0.53931%0.307SS..Hα-helixtrans-63.2-39.2175.3-74.8171.8174.3145.10112.6L225 K226 E227 E228 I229 K235L225-K231 PolarHBondContact O-N 3.4Å; K226-K231 WeakPolarHBondContact O-CE 3.47Å; K226-K231 PolarHBondContact O-NZ 2.94Å; E227-K231 WeakPolarHBondContact O-CG 3.36Å; E227-K231 PolarHBondContact O-N 3.14Å; E228-K231 PolarHBondContact O-N 3.5Å; I229-K231 PolarHBondContact O-N 3.5Å; K231-K235 VanDerWaalsContact O-CB 3.23Å; K231-K235 WeakPolarHBondContact O-CB 3.13Å; K231-K235 PolarHBondContact O-N 3.5Å
232A93.8Very high93Very high12 Ų1263 Ų6310%0.09931%0.305CS..Hα-helixtrans-68-41.7178.900000111.5I204 I207 E228 I229 G230 K235 A236I204-A232 HydrophobicContact CD1-CB 4.28Å; I204-A232 HydrophobicContact CG1-CB 3.8Å; I207-A232 HydrophobicContact CG2-CB 3.65Å; E228-A232 WeakPolarHBondContact O-CB 3.26Å; E228-A232 PolarHBondContact O-N 3.14Å; I229-A232 PolarHBondContact O-N 2.99Å; G230-A232 PolarHBondContact O-N 3.38Å; A232-K235 PolarHBondContact O-N 3.4Å; A232-A236 WeakPolarHBondContact O-CB 3.49Å; A232-A236 PolarHBondContact O-N 3.02Å
233L94.8Very high93Very high0 Ų062.5 Ų62.50%030%0.303CS..Hα-helixtrans-64.2-44.2173-69.2169.5000111.8I207 I215 H217 I229 G230 K235 A236 G237 F241 L268 V273I207-L233 HydrophobicContact CG1-CD2 4.19Å; I207-L233 HydrophobicContact CG2-CD2 4.42Å; I215-L233 HydrophobicContact CD1-CD2 4.48Å; I215-L233 HydrophobicContact CG2-CD2 4.33Å; H217-L233 HydrophobicContact CB-CD1 3.88Å; I229-L233 HydrophobicContact CG1-CD1 4.18Å; I229-L233 VanDerWaalsContact O-CG 3.31Å; I229-L233 WeakPolarHBondContact O-CG 3.3Å; I229-L233 PolarHBondContact O-N 2.94Å; G230-L233 PolarHBondContact O-N 3.27Å; L233-K235 PolarHBondContact O-N 2.83Å; L233-A236 PolarHBondContact O-N 3.49Å; L233-G237 PolarHBondContact O-N 2.82Å; L233-F241 HydrophobicContact CB-CE1 3.82Å; L233-F241 HydrophobicContact CB-CZ 4.12Å; L233-L268 HydrophobicContact CD2-CD1 3.72Å; L233-L268 HydrophobicContact CD2-CD2 4.25Å; L233-V273 HydrophobicContact CD1-CG1 4.05Å; L233-V273 HydrophobicContact CD2-CG2 4.18Å
234E94.9Very high93Very high72 Ų7264.3 Ų64.334%0.33631%0.314SS..Hα-helixtrans-59.1-47.3175.1-179.8176-173.400111.8L225 G230 A236 G238 L242L225-E234 HydrophobicContact CD1-CB 4.25Å; G230-E234 WeakPolarHBondContact O-CB 3.4Å; G230-E234 PolarHBondContact O-N 3.29Å; E234-A236 VanDerWaalsContact C-N 3.34Å; E234-A236 PolarHBondContact O-N 3.37Å; E234-G238 WeakPolarHBondContact O-CA 3.33Å; E234-G238 PolarHBondContact O-N 2.84Å; E234-L242 HydrophobicContact CG-CD1 3.92Å; E234-L242 HydrophobicContact CG-CD2 3.8Å; E234-L242 HydrophobicContact CG-CG 3.9Å; E234-L242 WeakPolarHBondContact OE1-CD1 3.24Å
235K94.6Very high93.2Very high181 Ų18163.4 Ų63.479%0.78731%0.309SS*.Hα-helixtrans-63.9-39.8-179.6-175.5-178.8178.5-173.30112.1K231 A232 L233K231-K235 VanDerWaalsContact O-CB 3.23Å; K231-K235 WeakPolarHBondContact O-CB 3.13Å; K231-K235 PolarHBondContact O-N 3.5Å; A232-K235 PolarHBondContact O-N 3.4Å; L233-K235 PolarHBondContact O-N 2.83Å
236A93.6Very high93.2Very high38 Ų3868.3 Ų68.331%0.31433%0.33SS..Hα-helixtrans-79.3-42-178.800000112.7A232 L233 E234 L268A232-A236 WeakPolarHBondContact O-CB 3.49Å; A232-A236 PolarHBondContact O-N 3.02Å; L233-A236 PolarHBondContact O-N 3.49Å; E234-A236 VanDerWaalsContact C-N 3.34Å; E234-A236 PolarHBondContact O-N 3.37Å; A236-L268 HydrophobicContact CB-CD2 3.46Å; A236-L268 VanDerWaalsContact CB-CD2 3.46Å
237G93Very high93.4Very high7 Ų768 Ų687%0.07233%0.331CS..Hα-helixtrans-80.8-18.2-179.700000114.8L233 S266L233-G237 PolarHBondContact O-N 2.82Å; G237-S266 WeakPolarHBondContact CA-O 3.49Å
238G94.1Very high93.7Very high29 Ų2965.2 Ų65.230%0.29932%0.318SS..Hα-helixtrans65.5-153.6175.500000114E234 E240 L242E234-G238 WeakPolarHBondContact O-CA 3.33Å; E234-G238 PolarHBondContact O-N 2.84Å; G238-E240 VanDerWaalsContact C-N 3.35Å; G238-E240 PolarHBondContact O-N 3.17Å; G238-L242 PolarHBondContact O-N 2.87Å
239K93.6Very high93.9Very high171 Ų17162.5 Ų62.574%0.74330%0.302SS*.Hα-helixtrans-65.1-36.5-174.8-70.1-174.9179.5179.40113.2L242 E243K239-L242 WeakPolarHBondContact O-CB 3.36Å; K239-L242 PolarHBondContact O-N 3.04Å; K239-E243 WeakPolarHBondContact O-CG 3.46Å; K239-E243 PolarHBondContact O-N 3.07Å
240E92.9Very high93.9Very high124 Ų12470.5 Ų70.558%0.57934%0.336SS*.Hα-helixtrans-63-47.3-179.1-66.4178.8-168.300110.9G238 L242 E243 T244 S266G238-E240 VanDerWaalsContact C-N 3.35Å; G238-E240 PolarHBondContact O-N 3.17Å; E240-L242 VanDerWaalsContact C-N 3.3Å; E240-L242 PolarHBondContact O-N 3.34Å; E240-E243 PolarHBondContact O-N 3.5Å; E240-E243 VanDerWaalsContact O-N 3.12Å; E240-T244 PolarHBondContact O-N 3.24Å; E240-T244 PolarHBondContact O-OG1 3.29Å; E240-S266 WeakPolarHBondContact OE2-CB 3.38Å; E240-S266 PolarHBondContact OE2-OG 2.83Å
241F94.9Very high93.9Very high0 Ų075 Ų750%037%0.368CS..Hα-helixtrans-59.8-41.1176178.4-110.8000112.2L225 L233 E243 T244 V245 V273L225-F241 HydrophobicContact CD1-CE1 4.2Å; L225-F241 HydrophobicContact CD2-CE1 3.98Å; L225-F241 HydrophobicContact CD2-CZ 4.48Å; L233-F241 HydrophobicContact CB-CE1 3.82Å; L233-F241 HydrophobicContact CB-CZ 4.12Å; F241-E243 VanDerWaalsContact C-N 3.31Å; F241-E243 PolarHBondContact O-N 3.41Å; F241-T244 PolarHBondContact O-N 3.35Å; F241-V245 HydrophobicContact CD1-CG2 4.42Å; F241-V245 HydrophobicContact CD2-CG2 4.32Å; F241-V245 HydrophobicContact CE1-CG2 4Å; F241-V245 HydrophobicContact CE2-CG2 3.88Å; F241-V245 HydrophobicContact CZ-CG2 3.71Å; F241-V245 WeakPolarHBondContact O-CG2 3.46Å; F241-V245 PolarHBondContact O-N 3.24Å; F241-V273 HydrophobicContact CE2-CB 4.08Å; F241-V273 HydrophobicContact CE2-CG2 3.78Å; F241-V273 HydrophobicContact CZ-CB 4.4Å; F241-V273 HydrophobicContact CZ-CG1 4.35Å; F241-V273 HydrophobicContact CZ-CG2 4.14Å
242L93.9Very high93.6Very high39 Ų3973.3 Ų73.320%0.20436%0.362CS..Hα-helixtrans-61.7-37.5175.4-78.7170.2000113.3L225 E234 G238 K239 E240 K246L225-L242 HydrophobicContact CD1-CD2 3.58Å; E234-L242 HydrophobicContact CG-CD1 3.92Å; E234-L242 HydrophobicContact CG-CD2 3.8Å; E234-L242 HydrophobicContact CG-CG 3.9Å; E234-L242 WeakPolarHBondContact OE1-CD1 3.24Å; G238-L242 PolarHBondContact O-N 2.87Å; K239-L242 WeakPolarHBondContact O-CB 3.36Å; K239-L242 PolarHBondContact O-N 3.04Å; E240-L242 VanDerWaalsContact C-N 3.3Å; E240-L242 PolarHBondContact O-N 3.34Å; L242-K246 WeakPolarHBondContact O-CB 3.41Å; L242-K246 VanDerWaalsContact O-CG 3.23Å; L242-K246 WeakPolarHBondContact O-CG 3.45Å; L242-K246 PolarHBondContact O-N 3.32Å
243E94.3Very high92.9Very high117 Ų11774 Ų7455%0.54737%0.37SS..Hα-helixtrans-68-44.5175.8-73.9176.1177.900110.9K239 E240 F241 V245 K246 E247K239-E243 WeakPolarHBondContact O-CG 3.46Å; K239-E243 PolarHBondContact O-N 3.07Å; E240-E243 PolarHBondContact O-N 3.5Å; E240-E243 VanDerWaalsContact O-N 3.12Å; F241-E243 VanDerWaalsContact C-N 3.31Å; F241-E243 PolarHBondContact O-N 3.41Å; E243-V245 VanDerWaalsContact C-N 3.35Å; E243-V245 PolarHBondContact O-N 3.18Å; E243-K246 WeakPolarHBondContact O-CB 3.45Å; E243-K246 PolarHBondContact O-N 2.93Å; E243-K246 VanDerWaalsContact O-N 3.12Å; E243-E247 WeakPolarHBondContact O-CG 3.43Å; E243-E247 PolarHBondContact O-N 2.95Å
244T94.5Very high92.8Very high38 Ų3878.8 Ų78.823%0.23340%0.401CS..Hα-helixtrans-59.8-42.9175.9-45.80000112.2E240 F241 K246 E247 L248 T263E240-T244 PolarHBondContact O-N 3.24Å; E240-T244 PolarHBondContact O-OG1 3.29Å; F241-T244 PolarHBondContact O-N 3.35Å; T244-K246 PolarHBondContact O-N 3.02Å; T244-E247 PolarHBondContact O-N 3.29Å; T244-L248 PolarHBondContact O-N 2.92Å; T244-T263 HydrophobicContact CG2-CG2 3.99Å
245V94.5Very high92.8Very high1 Ų175.5 Ų75.51%0.00639%0.386CS..Hα-helixtrans-66.2-37.8176.4174.30000111.3I223 F241 E243 L248 R249 T263I223-V245 HydrophobicContact CG2-CG1 4.04Å; F241-V245 HydrophobicContact CD1-CG2 4.42Å; F241-V245 HydrophobicContact CD2-CG2 4.32Å; F241-V245 HydrophobicContact CE1-CG2 4Å; F241-V245 HydrophobicContact CE2-CG2 3.88Å; F241-V245 HydrophobicContact CZ-CG2 3.71Å; F241-V245 WeakPolarHBondContact O-CG2 3.46Å; F241-V245 PolarHBondContact O-N 3.24Å; E243-V245 VanDerWaalsContact C-N 3.35Å; E243-V245 PolarHBondContact O-N 3.18Å; V245-L248 PolarHBondContact O-N 3.41Å; V245-R249 WeakPolarHBondContact O-CG 3.29Å; V245-R249 PolarHBondContact O-N 2.91Å; V245-R249 VanDerWaalsContact O-N 3.08Å; V245-T263 HydrophobicContact CG2-CG2 4.17Å
246K93.7Very high92.8Very high114 Ų11474 Ų7450%0.49638%0.382SS..Hα-helixtrans-65.9-39175.5-76.9170.3-175.21730112.4L242 E243 T244 K250L242-K246 WeakPolarHBondContact O-CB 3.41Å; L242-K246 VanDerWaalsContact O-CG 3.23Å; L242-K246 WeakPolarHBondContact O-CG 3.45Å; L242-K246 PolarHBondContact O-N 3.32Å; E243-K246 WeakPolarHBondContact O-CB 3.45Å; E243-K246 PolarHBondContact O-N 2.93Å; E243-K246 VanDerWaalsContact O-N 3.12Å; T244-K246 PolarHBondContact O-N 3.02Å; K246-K250 WeakPolarHBondContact O-CG 3.37Å; K246-K250 PolarHBondContact O-N 3Å
247E94.3Very high92.9Very high131 Ų13175.4 Ų75.461%0.61239%0.386SS*.Hα-helixtrans-65.6-43.4174.9-73.5-177.8168.900111.3E243 T244 R249 K250 S251E243-E247 WeakPolarHBondContact O-CG 3.43Å; E243-E247 PolarHBondContact O-N 2.95Å; T244-E247 PolarHBondContact O-N 3.29Å; E247-R249 VanDerWaalsContact C-N 3.33Å; E247-R249 PolarHBondContact O-N 3.23Å; E247-K250 WeakPolarHBondContact O-CB 3.21Å; E247-K250 PolarHBondContact O-N 2.95Å; E247-S251 PolarHBondContact O-N 3.45Å; E247-S251 PolarHBondContact O-OG 3.16Å
248L93.9Very high93Very high15 Ų1575.2 Ų75.28%0.07938%0.383CS..Hα-helixtrans-56.1-47175.6-173.769.4000111.9I223 T244 V245 K250 S251 Q252 A261 T263I223-L248 HydrophobicContact CD1-CD2 3.78Å; I223-L248 HydrophobicContact CD1-CG 4.11Å; T244-L248 PolarHBondContact O-N 2.92Å; V245-L248 PolarHBondContact O-N 3.41Å; L248-K250 PolarHBondContact O-N 3.08Å; L248-S251 PolarHBondContact O-N 2.82Å; L248-S251 PolarHBondContact O-OG 3.03Å; L248-S251 VanDerWaalsContact O-OG 3.13Å; L248-Q252 HydrophobicContact CD1-CB 4.45Å; L248-Q252 WeakPolarHBondContact O-CB 3.3Å; L248-Q252 PolarHBondContact O-N 3.4Å; L248-A261 HydrophobicContact CD1-CB 4.39Å; L248-A261 HydrophobicContact CD2-CB 3.94Å; L248-T263 HydrophobicContact CB-CG2 3.85Å; L248-T263 HydrophobicContact CD2-CG2 3.42Å; L248-T263 VanDerWaalsContact CD2-CG2 3.42Å; L248-T263 HydrophobicContact CG-CG2 4.11Å
249R93.4Very high93.2Very high88 Ų8876.5 Ų76.533%0.33238%0.382SS..Hα-helixtrans-59.4-33.7176.7-70.3176.2-163158.64.2112.6E222 I223 V245 E247 G253E222-R249 WeakPolarHBondContact O-CD 3.24Å; E222-R249 PolarHBondContact O-NE 3.3Å; I223-R249 HydrophobicContact CB-CG 4.02Å; I223-R249 HydrophobicContact CD1-CG 4.11Å; I223-R249 HydrophobicContact CG1-CG 4.24Å; I223-R249 PolarHBondContact O-NE 3.31Å; I223-R249 PolarHBondContact O-NH2 3.01Å; V245-R249 WeakPolarHBondContact O-CG 3.29Å; V245-R249 PolarHBondContact O-N 2.91Å; V245-R249 VanDerWaalsContact O-N 3.08Å; E247-R249 VanDerWaalsContact C-N 3.33Å; E247-R249 PolarHBondContact O-N 3.23Å; R249-G253 PolarHBondContact O-N 2.84Å
250K92.8Very high93.3Very high180 Ų18069.2 Ų69.278%0.78335%0.353SS*.Hα-helixtrans-76.4-38.7177.9-70.2175.8-177.1177.80112.2K246 E247 L248K246-K250 WeakPolarHBondContact O-CG 3.37Å; K246-K250 PolarHBondContact O-N 3Å; E247-K250 WeakPolarHBondContact O-CB 3.21Å; E247-K250 PolarHBondContact O-N 2.95Å; L248-K250 PolarHBondContact O-N 3.08Å
251S92.3Very high93.5Very high95 Ų9563.4 Ų63.466%0.66433%0.327SS*.Hα-helixtrans-79.4-37-176.3600000113.1E247 L248E247-S251 PolarHBondContact O-N 3.45Å; E247-S251 PolarHBondContact O-OG 3.16Å; L248-S251 PolarHBondContact O-N 2.82Å; L248-S251 PolarHBondContact O-OG 3.03Å; L248-S251 VanDerWaalsContact O-OG 3.13Å
252Q87.4Confident93.5Very high87 Ų8765 Ų6541%0.40734%0.335SS..Hα-helixtrans-102.7-17.7-170.1-148.5147.8-9.900112.8L248L248-Q252 HydrophobicContact CD1-CB 4.45Å; L248-Q252 WeakPolarHBondContact O-CB 3.3Å; L248-Q252 PolarHBondContact O-N 3.4Å
253G79.3Confident93.5Very high26 Ų2663.4 Ų63.427%0.26833%0.327SS..  trans75.3-167.2-176.400000112.4R249R249-G253 PolarHBondContact O-N 2.84Å
254P93Very high93.5Very high101 Ų10164 Ų6466%0.65633%0.329SS*.SBendtrans-67.2131.7175-12.227.2000110.1A221A221-P254 HydrophobicContact CB-CB 4.2Å; A221-P254 CarbonylContact O-C 3.54Å; A221-P254 VanDerWaalsContact O-CA 3.29Å; A221-P254 WeakPolarHBondContact O-CA 3.46Å
255L94.1Very high93.1Very high4 Ų462.7 Ų62.72%0.02132%0.322CS..PPolyproline II helixtrans-68.5133.3176.2-66.2-178.7000110.8A221 I223 E259 A261 H275 H277A221-L255 WeakPolarHBondContact CA-O 3.37Å; A221-L255 WeakPolarHBondContact CB-O 3.46Å; A221-L255 PolarHBondContact O-N 3.41Å; I223-L255 HydrophobicContact CD1-CD1 3.88Å; I223-L255 HydrophobicContact CD1-CD2 4.37Å; I223-L255 HydrophobicContact CD1-CG 3.9Å; I223-L255 HydrophobicContact CG1-CD1 3.71Å; I223-L255 HydrophobicContact CG1-CG 3.89Å; L255-E259 WeakPolarHBondContact CA-OE2 3.44Å; L255-E259 HydrophobicContact CB-CB 4.37Å; L255-E259 HydrophobicContact CD2-CB 4.49Å; L255-E259 HydrophobicContact CD2-CG 4.17Å; L255-A261 HydrophobicContact CD1-CB 4.35Å; L255-A261 HydrophobicContact CD2-CB 3.74Å; L255-H275 HydrophobicContact CD1-CB 4.46Å; L255-H277 HydrophobicContact CB-CB 3.81Å; L255-H277 HydrophobicContact CD1-CB 4.49Å; L255-H277 PolarHBondContact O-ND1 3.03Å
256E95.8Very high92.7Very high150 Ų15064.2 Ų64.270%0.70133%0.333SS*.PPolyproline II helixtrans-67.6158168.7-65-167.7171.700110.8A258 E259 H277E256-A258 PolarHBondContact O-N 3.04Å; E256-E259 HydrophobicContact CB-CB 4.26Å; E256-E259 PolarHBondContact N-OE2 3.15Å; E256-E259 WeakPolarHBondContact O-CB 3.33Å; E256-E259 PolarHBondContact O-N 3.36Å; E256-H277 WeakPolarHBondContact O-CB 3.42Å; E256-H277 PolarHBondContact O-ND1 2.99Å
257V95.4Very high92.2Very high67 Ų6761.8 Ų61.841%0.40634%0.34SS..THydrogen-bonded Turntrans-60.7134.2177177.60000109.1E259 P279 Q289V257-E259 PolarHBondContact O-N 2.9Å; V257-P279 HydrophobicContact CG1-CB 3.81Å; V257-Q289 HydrophobicContact CG1-CB 4.44Å
258A95.8Very high92.1Very high2 Ų256.5 Ų56.52%0.01732%0.316CS..THydrogen-bonded Turntrans70.40.1-172.700000116.2E256 H277 Q289 E292 T293 N296E256-A258 PolarHBondContact O-N 3.04Å; A258-H277 WeakPolarHBondContact CA-O 3.44Å; A258-H277 PolarHBondContact N-O 3.18Å; A258-Q289 WeakPolarHBondContact CB-O 3.3Å; A258-E292 HydrophobicContact CB-CB 4.17Å; A258-E292 HydrophobicContact CB-CG 4.09Å; A258-T293 VanDerWaalsContact CA-OG1 3.28Å; A258-T293 WeakPolarHBondContact CA-OG1 3.49Å; A258-T293 WeakPolarHBondContact CB-OG1 3.35Å; A258-N296 PolarHBondContact O-ND2 3.44Å
259E96.5Very high92Very high56 Ų5658.5 Ų58.526%0.26234%0.335SS..  trans-72.1148.1174.4-163.8-175.4168.400111.6L255 E256 V257 C276 H277L255-E259 WeakPolarHBondContact CA-OE2 3.44Å; L255-E259 HydrophobicContact CB-CB 4.37Å; L255-E259 HydrophobicContact CD2-CB 4.49Å; L255-E259 HydrophobicContact CD2-CG 4.17Å; E256-E259 HydrophobicContact CB-CB 4.26Å; E256-E259 PolarHBondContact N-OE2 3.15Å; E256-E259 WeakPolarHBondContact O-CB 3.33Å; E256-E259 PolarHBondContact O-N 3.36Å; V257-E259 PolarHBondContact O-N 2.9Å; E259-C276 VanDerWaalsContact O-CA 3.3Å; E259-C276 WeakPolarHBondContact O-CA 3.47Å; E259-H277 PolarHBondContact O-N 2.91Å
260A96.8Very high92.1Very high18 Ų1854.5 Ų54.515%0.14932%0.32CS..EExtended strand (participates in β ladder)trans-125.4136.6173.800000111.5I274 H275 C276 N296A260-I274 HydrophobicContact CB-CG2 4.18Å; A260-H275 CarbonylContact C-O 3.52Å; A260-H275 WeakPolarHBondContact CA-O 3.42Å; A260-C276 HydrophobicContact CB-CB 4.24Å; A260-N296 HydrophobicContact CB-CB 4.11Å
261A96.3Very high92.2Very high2 Ų251 Ų512%0.01731%0.305CS..EExtended strand (participates in β ladder)trans-131.2148.2177.500000111L248 L255 I274 H275L248-A261 HydrophobicContact CD1-CB 4.39Å; L248-A261 HydrophobicContact CD2-CB 3.94Å; L255-A261 HydrophobicContact CD1-CB 4.35Å; L255-A261 HydrophobicContact CD2-CB 3.74Å; A261-I274 CarbonylContact O-C 3.55Å; A261-H275 PolarHBondContact N-O 3.41Å; A261-H275 PolarHBondContact O-N 3.09Å
262L94.9Very high92.5Very high35 Ų3548.5 Ų48.518%0.18328%0.282CS..EExtended strand (participates in β ladder)trans-107.9137.9-177.9-91.882.7000112.3F272 V273 I274 A300 K304L262-F272 HydrophobicContact CD2-CB 3.83Å; L262-F272 HydrophobicContact CD2-CD1 4.03Å; L262-F272 HydrophobicContact CD2-CG 3.91Å; L262-V273 WeakPolarHBondContact CA-O 3.34Å; L262-I274 HydrophobicContact CD1-CB 4.39Å; L262-I274 HydrophobicContact CD1-CG1 3.98Å; L262-I274 HydrophobicContact CD1-CG2 4.03Å; L262-I274 HydrophobicContact CD2-CG1 4.25Å; L262-I274 HydrophobicContact CG-CG1 3.9Å; L262-A300 HydrophobicContact CD1-CB 3.3Å; L262-K304 HydrophobicContact CD2-CB 4.48Å; L262-K304 HydrophobicContact CD2-CG 3.56Å
263T95Very high92.9Very high4 Ų444.3 Ų44.33%0.02526%0.263CS..EExtended strand (participates in β ladder)trans-111.4149158.755.50000110.3T244 V245 L248 F272 V273 H275T244-T263 HydrophobicContact CG2-CG2 3.99Å; V245-T263 HydrophobicContact CG2-CG2 4.17Å; L248-T263 HydrophobicContact CB-CG2 3.85Å; L248-T263 HydrophobicContact CD2-CG2 3.42Å; L248-T263 VanDerWaalsContact CD2-CG2 3.42Å; L248-T263 HydrophobicContact CG-CG2 4.11Å; T263-F272 VanDerWaalsContact O-CA 3.26Å; T263-F272 WeakPolarHBondContact O-CA 3.39Å; T263-F272 WeakPolarHBondContact O-CD1 3.49Å; T263-V273 PolarHBondContact N-O 2.85Å; T263-V273 PolarHBondContact O-N 3.43Å; T263-H275 WeakPolarHBondContact CG2-NE2 3.44Å; T263-H275 PolarHBondContact OG1-NE2 3.33Å
264Q93.5Very high93.8Very high129 Ų12943.1 Ų43.160%0.60325%0.25SS*.EExtended strand (participates in β ladder)trans-71.5135.7163.2-175.3172.8-30.700108.4F272Q264-F272 HydrophobicContact CB-CD1 4.45Å; Q264-F272 HydrophobicContact CB-CE1 4.37Å
265S87.4Confident94Very high12 Ų1238.3 Ų38.38%0.08422%0.219CC..PPolyproline II helixtrans-92.3120.2176.939.30000111.7A270 K271 F272S265-A270 PolarHBondContact OG-O 3.14Å; S265-K271 PolarHBondContact N-O 3Å; S265-K271 PolarHBondContact OG-O 2.98Å; S265-K271 VanDerWaalsContact OG-O 3.08Å; S265-F272 PolarHBondContact OG-N 3.39Å
266S84.5Confident94.1Very high33 Ų3338.1 Ų38.123%0.23122%0.218CC..SBendtrans-94.9141.2162.2-68.40000109.6G237 E240 L268G237-S266 WeakPolarHBondContact CA-O 3.49Å; E240-S266 WeakPolarHBondContact OE2-CB 3.38Å; E240-S266 PolarHBondContact OE2-OG 2.83Å; S266-L268 PolarHBondContact O-N 3.14Å
267G84Confident94.1Very high63 Ų6332.4 Ų32.465%0.64919%0.191SC*.SBendtrans77.3-1.1177.600000116
268L92.3Very high94Very high19 Ų1930.5 Ų30.510%0.09918%0.179CC..SBendtrans-107.5150.9173.8-55.7167.7000109.6L233 A236 S266 A270 V273L233-L268 HydrophobicContact CD2-CD1 3.72Å; L233-L268 HydrophobicContact CD2-CD2 4.25Å; A236-L268 HydrophobicContact CB-CD2 3.46Å; A236-L268 VanDerWaalsContact CB-CD2 3.46Å; S266-L268 PolarHBondContact O-N 3.14Å; L268-A270 PolarHBondContact O-N 2.91Å; L268-V273 HydrophobicContact CD1-CG2 3.78Å
269A92.1Very high93.9Very high57 Ų5730.6 Ų30.647%0.47118%0.179SC..SBendtrans-66.9-23.7169.800000112.2G208 M210G208-A269 WeakPolarHBondContact O-CB 3.27Å; G208-A269 PolarHBondContact O-N 3.43Å; M210-A269 WeakPolarHBondContact O-CB 3.5Å
270A94.5Very high93.7Very high4 Ų434.1 Ų34.13%0.03320%0.196CC..SBendtrans-70.2154.8170.300000112.6V212 I215 S265 L268V212-A270 HydrophobicContact CG1-CB 4.31Å; V212-A270 WeakPolarHBondContact O-CA 2.96Å; V212-A270 WeakPolarHBondContact O-CB 3.5Å; I215-A270 HydrophobicContact CD1-CB 3.62Å; I215-A270 HydrophobicContact CG1-CB 3.74Å; S265-A270 PolarHBondContact OG-O 3.14Å; L268-A270 PolarHBondContact O-N 2.91Å
271K95.4Very high93.5Very high107 Ų10737.5 Ų37.547%0.46521%0.205SC..SBendtrans-87.9-35.2178.6-62.1175.3178.5169.50111.8E213 S265E213-K271 HydrophobicContact CB-CD 4.34Å; E213-K271 HydrophobicContact CG-CD 4.34Å; E213-K271 WeakPolarHBondContact O-CB 3.3Å; E213-K271 PolarHBondContact O-N 3.11Å; E213-K271 IonicContact OE1-NZ 2.73Å; E213-K271 PolarHBondContact OE1-NZ 3.5Å; S265-K271 PolarHBondContact N-O 3Å; S265-K271 PolarHBondContact OG-O 2.98Å; S265-K271 VanDerWaalsContact OG-O 3.08Å
272F97.6Very high93.2Very high42 Ų4240.5 Ų40.518%0.18424%0.236CC..EExtended strand (participates in β ladder)trans-136.9150.8-178.4-60.5-82000112.4E213 G214 I215 L262 T263 Q264 S265 K304 L306E213-F272 PolarHBondContact O-N 3.18Å; E213-F272 VanDerWaalsContact O-N 3.11Å; G214-F272 WeakPolarHBondContact CA-O 3.43Å; I215-F272 PolarHBondContact N-O 2.99Å; L262-F272 HydrophobicContact CD2-CB 3.83Å; L262-F272 HydrophobicContact CD2-CD1 4.03Å; L262-F272 HydrophobicContact CD2-CG 3.91Å; T263-F272 VanDerWaalsContact O-CA 3.26Å; T263-F272 WeakPolarHBondContact O-CA 3.39Å; T263-F272 WeakPolarHBondContact O-CD1 3.49Å; Q264-F272 HydrophobicContact CB-CD1 4.45Å; Q264-F272 HydrophobicContact CB-CE1 4.37Å; S265-F272 PolarHBondContact OG-N 3.39Å; F272-K304 HydrophobicContact CE2-CB 4.22Å; F272-K304 HydrophobicContact CE2-CG 4.4Å; F272-K304 HydrophobicContact CZ-CD 4.41Å; F272-K304 HydrophobicContact CZ-CG 4.4Å; F272-L306 HydrophobicContact CD2-CD1 4.19Å; F272-L306 HydrophobicContact CD2-CD2 3.68Å; F272-L306 HydrophobicContact CE2-CD2 3.9Å
273V97.4Very high93Very high0 Ų041.2 Ų41.20%024%0.244CC..EExtended strand (participates in β ladder)trans-109.3127.9163.1176.50000108.5I215 H217 L233 F241 L262 T263 L268I215-V273 CarbonylContact O-C 3.53Å; I215-V273 VanDerWaalsContact O-CA 3.3Å; I215-V273 WeakPolarHBondContact O-CA 3.42Å; H217-V273 HydrophobicContact CB-CG1 3.65Å; L233-V273 HydrophobicContact CD1-CG1 4.05Å; L233-V273 HydrophobicContact CD2-CG2 4.18Å; F241-V273 HydrophobicContact CE2-CB 4.08Å; F241-V273 HydrophobicContact CE2-CG2 3.78Å; F241-V273 HydrophobicContact CZ-CB 4.4Å; F241-V273 HydrophobicContact CZ-CG1 4.35Å; F241-V273 HydrophobicContact CZ-CG2 4.14Å; L262-V273 WeakPolarHBondContact CA-O 3.34Å; T263-V273 PolarHBondContact N-O 2.85Å; T263-V273 PolarHBondContact O-N 3.43Å; L268-V273 HydrophobicContact CD1-CG2 3.78Å
274I97.8Very high92.9Very high0 Ų048 Ų480%028%0.28CS..EExtended strand (participates in β ladder)trans-101.299.3180-52.3173.3000107.3I215 V216 H217 A260 A261 L262 C297 A300 A301 V309I215-I274 PolarHBondContact O-N 2.77Å; V216-I274 CarbonylContact C-O 3.45Å; V216-I274 WeakPolarHBondContact CA-O 3.42Å; V216-I274 HydrophobicContact CG2-CB 4.31Å; V216-I274 HydrophobicContact CG2-CD1 4.42Å; H217-I274 PolarHBondContact N-O 3.18Å; A260-I274 HydrophobicContact CB-CG2 4.18Å; A261-I274 CarbonylContact O-C 3.55Å; L262-I274 HydrophobicContact CD1-CB 4.39Å; L262-I274 HydrophobicContact CD1-CG1 3.98Å; L262-I274 HydrophobicContact CD1-CG2 4.03Å; L262-I274 HydrophobicContact CD2-CG1 4.25Å; L262-I274 HydrophobicContact CG-CG1 3.9Å; I274-C297 HydrophobicContact CG2-CB 4.23Å; I274-A300 HydrophobicContact CG2-CB 4.4Å; I274-A301 HydrophobicContact CD1-CB 3.73Å; I274-V309 HydrophobicContact CD1-CG2 3.97Å
275H96.8Very high92.9Very high0 Ų048.7 Ų48.70%028%0.281CS..EExtended strand (participates in β ladder)trans-78.5130177.1-58.5-93.2000109.5H217 T219 I223 L255 A260 A261 T263H217-H275 AromaticContact CE1-ND1 3.81Å; H217-H275 AromaticContact CG-ND1 3.93Å; H217-H275 AromaticContact ND1-CE1 3.45Å; H217-H275 PolarHBondContact ND1-CE1 2.78Å; H217-H275 AromaticContact ND1-ND1 2.95Å; H217-H275 PolarHBondContact ND1-ND1 2.81Å; H217-H275 WeakPolarHBondContact O-CA 3.19Å; T219-H275 HydrophobicContact CG2-CB 4.23Å; I223-H275 HydrophobicContact CG2-CB 3.79Å; I223-H275 WeakPolarHBondContact CG2-ND1 3.5Å; L255-H275 HydrophobicContact CD1-CB 4.46Å; A260-H275 CarbonylContact C-O 3.52Å; A260-H275 WeakPolarHBondContact CA-O 3.42Å; A261-H275 PolarHBondContact N-O 3.41Å; A261-H275 PolarHBondContact O-N 3.09Å; T263-H275 WeakPolarHBondContact CG2-NE2 3.44Å; T263-H275 PolarHBondContact OG1-NE2 3.33Å
276C96.4Very high93.2Very high1 Ų148.7 Ų48.71%0.00728%0.281CS..EExtended strand (participates in β ladder)trans-133.7135.6176.762.10000112.2H217 T219 E259 A260 I278 T293 C297H217-C276 PolarHBondContact O-N 3.5Å; T219-C276 PolarHBondContact N-O 3.07Å; E259-C276 VanDerWaalsContact O-CA 3.3Å; E259-C276 WeakPolarHBondContact O-CA 3.47Å; A260-C276 HydrophobicContact CB-CB 4.24Å; C276-I278 PolarHBondContact O-N 3.4Å; C276-T293 HydrophobicContact CB-CG2 3.7Å; C276-C297 WeakPolarHBondContact CB-SG 3.33Å; C276-C297 VanDerWaalsContact SG-SG 3.65Å
277H95.5Very high93.7Very high29 Ų2950.7 Ų50.713%0.13429%0.287CS..EExtended strand (participates in β ladder)trans-85.4100.3176.4-179.4-170000109.6T219 A221 L255 E256 A258 E259T219-H277 WeakPolarHBondContact O-CA 3.29Å; A221-H277 PolarHBondContact N-CD2 2.95Å; A221-H277 PolarHBondContact N-NE2 3.12Å; L255-H277 HydrophobicContact CB-CB 3.81Å; L255-H277 HydrophobicContact CD1-CB 4.49Å; L255-H277 PolarHBondContact O-ND1 3.03Å; E256-H277 WeakPolarHBondContact O-CB 3.42Å; E256-H277 PolarHBondContact O-ND1 2.99Å; A258-H277 WeakPolarHBondContact CA-O 3.44Å; A258-H277 PolarHBondContact N-O 3.18Å; E259-H277 PolarHBondContact O-N 2.91Å
278I93.3Very high94.3Very high27 Ų2753.3 Ų53.314%0.13828%0.282CS..PPolyproline II helixtrans-74.8143.6-178.557.8170.9000111.3P218 T219 C276 T293 F314 P315P218-I278 HydrophobicContact CB-CD1 4.18Å; P218-I278 HydrophobicContact CB-CG2 3.94Å; T219-I278 PolarHBondContact O-N 2.97Å; C276-I278 PolarHBondContact O-N 3.4Å; I278-T293 HydrophobicContact CG2-CG2 4.21Å; I278-F314 HydrophobicContact CD1-CD1 4.45Å; I278-F314 HydrophobicContact CG2-CD1 4.03Å; I278-F314 HydrophobicContact CG2-CE1 3.63Å; I278-P315 HydrophobicContact CD1-CB 4.41Å; I278-P315 VanDerWaalsContact CD1-CD 3.49Å; I278-P315 HydrophobicContact CD1-CG 3.57Å
279P94.2Very high94.5Very high5 Ų555 Ų553%0.03229%0.29CS..PPolyproline II helixtrans-65.9159.1173.628.3-35.2000111.4V257 C286 Q289 L290 F321V257-P279 HydrophobicContact CG1-CB 3.81Å; P279-C286 HydrophobicContact CB-CB 4.38Å; P279-C286 WeakPolarHBondContact CG-O 3.36Å; P279-Q289 HydrophobicContact CB-CB 3.8Å; P279-Q289 HydrophobicContact CG-CB 3.76Å; P279-L290 HydrophobicContact CG-CB 3.96Å; P279-F321 HydrophobicContact CG-CE2 3.96Å; P279-F321 HydrophobicContact CG-CZ 3.96Å; P279-F321 WeakPolarHBondContact O-CE2 3.36Å
280Q92.5Very high94.7Very high129 Ų12952.3 Ų52.360%0.60327%0.267SS*.PPolyproline II helixtrans-85.1140.3173.5-66.5-175.13.900110.7G282 S283 C286Q280-G282 PolarHBondContact O-N 3.45Å; Q280-S283 PolarHBondContact O-N 3.47Å; Q280-S283 PolarHBondContact O-OG 2.96Å; Q280-C286 VanDerWaalsContact O-CB 3.25Å; Q280-C286 WeakPolarHBondContact O-CB 3.49Å
281W92.4Very high94.8Very high89 Ų8953.5 Ų53.534%0.33727%0.272SS..THydrogen-bonded Turntrans-66.5131.5175.3175.4-108.6000111E287 N319 C320 F321 P322 T325W281-E287 HydrophobicContact CZ3-CG 4.08Å; W281-N319 WeakPolarHBondContact CB-O 3.32Å; W281-N319 PolarHBondContact N-O 2.9Å; W281-C320 VanDerWaalsContact CB-O 3.3Å; W281-C320 WeakPolarHBondContact CB-O 3.28Å; W281-F321 HydrophobicContact CB-CD2 4.29Å; W281-F321 HydrophobicContact CB-CG 4.45Å; W281-F321 HydrophobicContact CD2-CD1 4.35Å; W281-F321 HydrophobicContact CE3-CB 4.49Å; W281-F321 AromaticContact CE3-CD1 3.29Å; W281-F321 HydrophobicContact CE3-CD1 3.29Å; W281-F321 AromaticContact CE3-CE1 3.47Å; W281-F321 HydrophobicContact CE3-CE1 3.47Å; W281-F321 VanDerWaalsContact CE3-CE1 3.47Å; W281-F321 AromaticContact CE3-CG 3.89Å; W281-F321 HydrophobicContact CE3-CG 3.89Å; W281-F321 HydrophobicContact CE3-CZ 4.19Å; W281-F321 AromaticContact CZ3-CD1 3.66Å; W281-F321 HydrophobicContact CZ3-CD1 3.66Å; W281-F321 AromaticContact CZ3-CE1 3.8Å; W281-F321 HydrophobicContact CZ3-CE1 3.8Å; W281-P322 HydrophobicContact CH2-CG 4.42Å; W281-P322 HydrophobicContact CZ2-CG 3.97Å; W281-T325 HydrophobicContact CH2-CG2 4.23Å; W281-T325 HydrophobicContact CZ3-CG2 3.97Å
282G89.7Confident94.9Very high66 Ų6653.4 Ų53.468%0.6827%0.273SS*.THydrogen-bonded Turntrans90.9-2.7-178.100000114.7Q280Q280-G282 PolarHBondContact O-N 3.45Å
283S90.5Very high94.9Very high49 Ų4951.4 Ų51.434%0.34327%0.265SS..SBendtrans-72.5161.4165.570.50000111.2Q280 K285 C286Q280-S283 PolarHBondContact O-N 3.47Å; Q280-S283 PolarHBondContact O-OG 2.96Å; S283-K285 PolarHBondContact O-N 3.41Å; S283-C286 WeakPolarHBondContact O-CB 3.08Å; S283-C286 PolarHBondContact O-N 2.68Å; S283-C286 PolarHBondContact O-SG 3.44Å; S283-C286 WeakPolarHBondContact OG-CB 3.5Å
284D92.4Very high94.9Very high148 Ų14851.5 Ų51.579%0.79127%0.265SS*.THydrogen-bonded Turntrans-56.3127.1176.2-71.4-23.5000110.3C286D284-C286 PolarHBondContact O-N 3.46Å; D284-C286 VanDerWaalsContact O-N 3.15Å
285K94.4Very high94.8Very high142 Ų14254.4 Ų54.462%0.61728%0.277SS*.THydrogen-bonded Turntrans56.127.8177.8-56.9178.3166.7-158.50114.8S283 E287 E288 Q289S283-K285 PolarHBondContact O-N 3.41Å; K285-E287 VanDerWaalsContact C-N 3.26Å; K285-E287 PolarHBondContact O-N 2.98Å; K285-E287 VanDerWaalsContact O-N 3.15Å; K285-E288 HydrophobicContact CB-CB 4.27Å; K285-E288 WeakPolarHBondContact CD-OE2 3.36Å; K285-E288 IonicContact NZ-OE2 3.8Å; K285-E288 WeakPolarHBondContact O-CB 3.34Å; K285-E288 PolarHBondContact O-N 2.93Å; K285-Q289 PolarHBondContact O-N 3.18Å
286C93.4Very high94.9Very high12 Ų1257 Ų578%0.08129%0.291CS..Hα-helixtrans-53.7-37.3-178.357.70000113.9P279 Q280 S283 D284 Q289 L290 F321P279-C286 HydrophobicContact CB-CB 4.38Å; P279-C286 WeakPolarHBondContact CG-O 3.36Å; Q280-C286 VanDerWaalsContact O-CB 3.25Å; Q280-C286 WeakPolarHBondContact O-CB 3.49Å; S283-C286 WeakPolarHBondContact O-CB 3.08Å; S283-C286 PolarHBondContact O-N 2.68Å; S283-C286 PolarHBondContact O-SG 3.44Å; S283-C286 WeakPolarHBondContact OG-CB 3.5Å; D284-C286 PolarHBondContact O-N 3.46Å; D284-C286 VanDerWaalsContact O-N 3.15Å; C286-Q289 PolarHBondContact O-N 3.29Å; C286-L290 WeakPolarHBondContact O-CB 3.47Å; C286-L290 PolarHBondContact O-N 3.01Å; C286-F321 HydrophobicContact CB-CE1 4.34Å; C286-F321 HydrophobicContact CB-CZ 3.74Å; C286-F321 WeakPolarHBondContact O-CZ 3.5Å
287E94.8Very high95Very high76 Ų7657 Ų5736%0.35529%0.291SS..Hα-helixtrans-66.7-38.1175.5-69.4-174.3-151.100113.5W281 K285 L290 E291 F321 T325 V329W281-E287 HydrophobicContact CZ3-CG 4.08Å; K285-E287 VanDerWaalsContact C-N 3.26Å; K285-E287 PolarHBondContact O-N 2.98Å; K285-E287 VanDerWaalsContact O-N 3.15Å; E287-L290 PolarHBondContact O-N 3.42Å; E287-E291 PolarHBondContact O-N 3.27Å; E287-F321 HydrophobicContact CG-CE1 4.12Å; E287-T325 HydrophobicContact CG-CG2 4.04Å; E287-V329 HydrophobicContact CB-CG2 4.24Å; E287-V329 HydrophobicContact CG-CG2 4.27Å; E287-V329 WeakPolarHBondContact O-CG1 3.3Å
288E96.4Very high95Very high117 Ų11755.6 Ų55.655%0.54729%0.285SS..Hα-helixtrans-67.5-43175.8-64.7174.1-162.200110.2K285 L290 E291 E292K285-E288 HydrophobicContact CB-CB 4.27Å; K285-E288 WeakPolarHBondContact CD-OE2 3.36Å; K285-E288 IonicContact NZ-OE2 3.8Å; K285-E288 WeakPolarHBondContact O-CB 3.34Å; K285-E288 PolarHBondContact O-N 2.93Å; E288-L290 VanDerWaalsContact C-N 3.31Å; E288-L290 PolarHBondContact O-N 2.72Å; E288-E291 WeakPolarHBondContact O-CB 3.45Å; E288-E291 PolarHBondContact O-N 2.93Å; E288-E292 PolarHBondContact O-N 3.16Å
289Q96.7Very high95.2Very high56 Ų5656.9 Ų56.926%0.26229%0.294SS..Hα-helixtrans-63.7-36.6175.5-68.6178.4-37.800111.8V257 A258 P279 K285 C286 E292 T293V257-Q289 HydrophobicContact CG1-CB 4.44Å; A258-Q289 WeakPolarHBondContact CB-O 3.3Å; P279-Q289 HydrophobicContact CB-CB 3.8Å; P279-Q289 HydrophobicContact CG-CB 3.76Å; K285-Q289 PolarHBondContact O-N 3.18Å; C286-Q289 PolarHBondContact O-N 3.29Å; Q289-E292 PolarHBondContact O-N 3.14Å; Q289-T293 WeakPolarHBondContact O-CB 3.22Å; Q289-T293 PolarHBondContact O-N 3.48Å; Q289-T293 PolarHBondContact O-OG1 3.38Å
290L96.4Very high95.3Very high0 Ų057.3 Ų57.30%030%0.298CS..Hα-helixtrans-67.2-42.6176.3178.861.9000110.1P279 C286 E287 E288 E292 T293 I294 F314 F321 V329P279-L290 HydrophobicContact CG-CB 3.96Å; C286-L290 WeakPolarHBondContact O-CB 3.47Å; C286-L290 PolarHBondContact O-N 3.01Å; E287-L290 PolarHBondContact O-N 3.42Å; E288-L290 VanDerWaalsContact C-N 3.31Å; E288-L290 PolarHBondContact O-N 2.72Å; L290-E292 VanDerWaalsContact C-N 3.32Å; L290-E292 PolarHBondContact O-N 3.42Å; L290-T293 WeakPolarHBondContact O-CB 3.35Å; L290-T293 PolarHBondContact O-N 3.24Å; L290-I294 WeakPolarHBondContact O-CG1 3.37Å; L290-I294 PolarHBondContact O-N 3.3Å; L290-F314 HydrophobicContact CD1-CD1 4.25Å; L290-F314 HydrophobicContact CD1-CE1 3.76Å; L290-F314 HydrophobicContact CD1-CZ 3.97Å; L290-F321 HydrophobicContact CB-CE1 4.21Å; L290-F321 HydrophobicContact CB-CE2 4.45Å; L290-F321 HydrophobicContact CB-CZ 3.89Å; L290-F321 HydrophobicContact CD2-CD1 3.79Å; L290-F321 HydrophobicContact CD2-CD2 4.24Å; L290-F321 HydrophobicContact CD2-CE1 3.74Å; L290-F321 HydrophobicContact CD2-CE2 4.2Å; L290-F321 HydrophobicContact CD2-CG 4.06Å; L290-F321 HydrophobicContact CD2-CZ 3.95Å; L290-F321 HydrophobicContact CG-CZ 4.46Å; L290-V329 HydrophobicContact CB-CG1 4.06Å; L290-V329 HydrophobicContact CD2-CB 4.11Å; L290-V329 HydrophobicContact CD2-CG1 3.95Å; L290-V329 HydrophobicContact CG-CG1 3.9Å
291E96.1Very high95.5Very high29 Ų2951.2 Ų51.214%0.13627%0.269CS..Hα-helixtrans-59.1-42.6173.5172.1165.2168.500112.1E287 E288 I294 K295 V329 R332 A333E287-E291 PolarHBondContact O-N 3.27Å; E288-E291 WeakPolarHBondContact O-CB 3.45Å; E288-E291 PolarHBondContact O-N 2.93Å; E291-I294 PolarHBondContact O-N 3.13Å; E291-K295 HydrophobicContact CG-CD 4.45Å; E291-K295 WeakPolarHBondContact O-CG 3.43Å; E291-K295 PolarHBondContact O-N 3.33Å; E291-K295 VanDerWaalsContact O-N 3.13Å; E291-K295 WeakPolarHBondContact OE1-CE 3.26Å; E291-K295 IonicContact OE1-NZ 2.74Å; E291-K295 PolarHBondContact OE1-NZ 3.2Å; E291-V329 HydrophobicContact CB-CG1 3.91Å; E291-R332 IonicContact OE2-CZ 2.76Å; E291-R332 IonicContact OE2-NE 3.59Å; E291-R332 PolarHBondContact OE2-NE 2.92Å; E291-R332 IonicContact OE2-NH2 3.06Å; E291-R332 PolarHBondContact OE2-NH2 3.15Å; E291-A333 HydrophobicContact CB-CB 4.25Å; E291-A333 HydrophobicContact CG-CB 3.76Å
292E97.3Very high95.7Very high105 Ų10548.6 Ų48.649%0.49126%0.261SS..Hα-helixtrans-63.2-41.9173.9-175.3169.4-16200112.1A258 E288 Q289 L290 I294 K295 N296A258-E292 HydrophobicContact CB-CB 4.17Å; A258-E292 HydrophobicContact CB-CG 4.09Å; E288-E292 PolarHBondContact O-N 3.16Å; Q289-E292 PolarHBondContact O-N 3.14Å; L290-E292 VanDerWaalsContact C-N 3.32Å; L290-E292 PolarHBondContact O-N 3.42Å; E292-I294 VanDerWaalsContact C-N 3.29Å; E292-I294 PolarHBondContact O-N 3.44Å; E292-K295 PolarHBondContact O-N 2.68Å; E292-K295 VanDerWaalsContact O-N 3.15Å; E292-N296 WeakPolarHBondContact O-CB 3.49Å; E292-N296 VanDerWaalsContact O-CG 3.32Å; E292-N296 PolarHBondContact O-N 2.83Å
293T97.8Very high95.9Very high0 Ų051.2 Ų51.20%026%0.26CS..Hα-helixtrans-56.9-45176.8-50.30000111A258 C276 I278 Q289 L290 N296 C297A258-T293 VanDerWaalsContact CA-OG1 3.28Å; A258-T293 WeakPolarHBondContact CA-OG1 3.49Å; A258-T293 WeakPolarHBondContact CB-OG1 3.35Å; C276-T293 HydrophobicContact CB-CG2 3.7Å; I278-T293 HydrophobicContact CG2-CG2 4.21Å; Q289-T293 WeakPolarHBondContact O-CB 3.22Å; Q289-T293 PolarHBondContact O-N 3.48Å; Q289-T293 PolarHBondContact O-OG1 3.38Å; L290-T293 WeakPolarHBondContact O-CB 3.35Å; L290-T293 PolarHBondContact O-N 3.24Å; T293-N296 PolarHBondContact O-N 3.41Å; T293-C297 PolarHBondContact O-N 3.36Å; T293-C297 PolarHBondContact O-SG 3.06Å
294I97.8Very high96.2Very high1 Ų154.5 Ų54.51%0.00527%0.267CS..Hα-helixtrans-64.2-44.8178.4-63.3-63.7000111L290 E291 E292 N296 C297 L298 F311 F314 T330 A333 I334L290-I294 WeakPolarHBondContact O-CG1 3.37Å; L290-I294 PolarHBondContact O-N 3.3Å; E291-I294 PolarHBondContact O-N 3.13Å; E292-I294 VanDerWaalsContact C-N 3.29Å; E292-I294 PolarHBondContact O-N 3.44Å; I294-N296 VanDerWaalsContact C-N 3.34Å; I294-N296 PolarHBondContact O-N 3Å; I294-C297 WeakPolarHBondContact O-CB 3.35Å; I294-C297 PolarHBondContact O-N 3.05Å; I294-L298 HydrophobicContact CG2-CD1 4.32Å; I294-L298 WeakPolarHBondContact O-CG 3.49Å; I294-L298 PolarHBondContact O-N 3.38Å; I294-F311 HydrophobicContact CD1-CD1 3.96Å; I294-F311 HydrophobicContact CD1-CE1 3.7Å; I294-F311 HydrophobicContact CG2-CE1 4.29Å; I294-F311 HydrophobicContact CG2-CZ 4.33Å; I294-F314 HydrophobicContact CD1-CE2 3.87Å; I294-F314 HydrophobicContact CD1-CZ 3.44Å; I294-F314 VanDerWaalsContact CD1-CZ 3.44Å; I294-T330 HydrophobicContact CD1-CG2 3.8Å; I294-T330 HydrophobicContact CG1-CG2 4.28Å; I294-A333 HydrophobicContact CB-CB 3.75Å; I294-A333 HydrophobicContact CG1-CB 4.32Å; I294-A333 HydrophobicContact CG2-CB 3.66Å; I294-I334 HydrophobicContact CG2-CD1 4.27Å; I294-I334 HydrophobicContact CG2-CG1 3.69Å
295K96.9Very high96.4Very high61 Ų6155.4 Ų55.427%0.26527%0.265SS..Hα-helixtrans-60.4-44.6176.6-71171.9-173.6167.60111.1E291 E292 C297 L298 T299E291-K295 HydrophobicContact CG-CD 4.45Å; E291-K295 WeakPolarHBondContact O-CG 3.43Å; E291-K295 PolarHBondContact O-N 3.33Å; E291-K295 VanDerWaalsContact O-N 3.13Å; E291-K295 WeakPolarHBondContact OE1-CE 3.26Å; E291-K295 IonicContact OE1-NZ 2.74Å; E291-K295 PolarHBondContact OE1-NZ 3.2Å; E292-K295 PolarHBondContact O-N 2.68Å; E292-K295 VanDerWaalsContact O-N 3.15Å; K295-C297 VanDerWaalsContact C-N 3.31Å; K295-C297 PolarHBondContact O-N 2.86Å; K295-L298 WeakPolarHBondContact O-CB 3.23Å; K295-L298 PolarHBondContact O-N 3.01Å; K295-L298 VanDerWaalsContact O-N 3.09Å; K295-T299 PolarHBondContact O-N 2.85Å; K295-T299 PolarHBondContact O-OG1 3.02Å; K295-T299 VanDerWaalsContact O-OG1 3.06Å
296N97.8Very high96.5Very high55 Ų5548.8 Ų48.829%0.29424%0.236SC..Hα-helixtrans-62.2-38177.5-69.9-14.2000112A258 A260 E292 T293 I294 L298 T299 A300A258-N296 PolarHBondContact O-ND2 3.44Å; A260-N296 HydrophobicContact CB-CB 4.11Å; E292-N296 WeakPolarHBondContact O-CB 3.49Å; E292-N296 VanDerWaalsContact O-CG 3.32Å; E292-N296 PolarHBondContact O-N 2.83Å; T293-N296 PolarHBondContact O-N 3.41Å; I294-N296 VanDerWaalsContact C-N 3.34Å; I294-N296 PolarHBondContact O-N 3Å; N296-L298 PolarHBondContact O-N 3.36Å; N296-T299 PolarHBondContact O-N 3.41Å; N296-A300 VanDerWaalsContact O-CB 3.23Å; N296-A300 WeakPolarHBondContact O-CB 3.3Å; N296-A300 PolarHBondContact O-N 3.15Å
297C98Very high96.6Very high0 Ų054.6 Ų54.60%026%0.26CS..Hα-helixtrans-62.5-41.6172.7-65.80000112.6V216 I274 C276 T293 I294 K295 A301 F311V216-C297 HydrophobicContact CG2-CB 4.23Å; I274-C297 HydrophobicContact CG2-CB 4.23Å; C276-C297 WeakPolarHBondContact CB-SG 3.33Å; C276-C297 VanDerWaalsContact SG-SG 3.65Å; T293-C297 PolarHBondContact O-N 3.36Å; T293-C297 PolarHBondContact O-SG 3.06Å; I294-C297 WeakPolarHBondContact O-CB 3.35Å; I294-C297 PolarHBondContact O-N 3.05Å; K295-C297 VanDerWaalsContact C-N 3.31Å; K295-C297 PolarHBondContact O-N 2.86Å; C297-A301 PolarHBondContact O-N 2.87Å; C297-A301 VanDerWaalsContact O-N 3.13Å; C297-F311 HydrophobicContact CB-CE1 3.99Å; C297-F311 HydrophobicContact CB-CZ 4.14Å
298L97.1Very high96.7Very high0 Ų051.6 Ų51.60%025%0.247CC..Hα-helixtrans-66.5-47.5177.8-64.7170.6000111.2I294 K295 N296 A300 A301 E302 V309 F311 I334 H337 F338 L346I294-L298 HydrophobicContact CG2-CD1 4.32Å; I294-L298 WeakPolarHBondContact O-CG 3.49Å; I294-L298 PolarHBondContact O-N 3.38Å; K295-L298 WeakPolarHBondContact O-CB 3.23Å; K295-L298 PolarHBondContact O-N 3.01Å; K295-L298 VanDerWaalsContact O-N 3.09Å; N296-L298 PolarHBondContact O-N 3.36Å; L298-A300 VanDerWaalsContact C-N 3.31Å; L298-A300 PolarHBondContact O-N 2.78Å; L298-A301 WeakPolarHBondContact O-CB 3.43Å; L298-A301 PolarHBondContact O-N 3.32Å; L298-E302 WeakPolarHBondContact O-CG 3.21Å; L298-E302 PolarHBondContact O-N 3.11Å; L298-V309 HydrophobicContact CD2-CG1 4.25Å; L298-F311 HydrophobicContact CD2-CE2 3.96Å; L298-F311 HydrophobicContact CD2-CZ 3.89Å; L298-F311 HydrophobicContact CG-CZ 4.27Å; L298-I334 HydrophobicContact CD1-CG1 4.02Å; L298-H337 HydrophobicContact CD1-CB 3.63Å; L298-F338 HydrophobicContact CD2-CZ 4.3Å; L298-L346 HydrophobicContact CB-CD1 4.41Å; L298-L346 HydrophobicContact CD2-CD1 3.8Å
299T96.4Very high96.8Very high55 Ų5546 Ų4634%0.33722%0.221SC..Hα-helixtrans-56.7-46.2176.1-57.20000111K295 N296 A301 E302 D303K295-T299 PolarHBondContact O-N 2.85Å; K295-T299 PolarHBondContact O-OG1 3.02Å; K295-T299 VanDerWaalsContact O-OG1 3.06Å; N296-T299 PolarHBondContact O-N 3.41Å; T299-A301 VanDerWaalsContact C-N 3.28Å; T299-A301 PolarHBondContact O-N 3.48Å; T299-E302 WeakPolarHBondContact O-CA 3.31Å; T299-E302 WeakPolarHBondContact O-CB 3.38Å; T299-E302 PolarHBondContact O-N 3.43Å; T299-D303 VanDerWaalsContact O-CG 3.31Å; T299-D303 PolarHBondContact O-N 2.88Å
300A96.4Very high96.8Very high14 Ų1443.4 Ų43.412%0.11621%0.209CC..Hα-helixtrans-66.2-31.4-178.600000112.6L262 I274 N296 L298L262-A300 HydrophobicContact CD1-CB 3.3Å; I274-A300 HydrophobicContact CG2-CB 4.4Å; N296-A300 VanDerWaalsContact O-CB 3.23Å; N296-A300 WeakPolarHBondContact O-CB 3.3Å; N296-A300 PolarHBondContact O-N 3.15Å; L298-A300 VanDerWaalsContact C-N 3.31Å; L298-A300 PolarHBondContact O-N 2.78Å
301A97.1Very high96.8Very high0 Ų043.4 Ų43.40%021%0.209CC..Hα-helixtrans-70.4-40169.500000112.2I274 C297 L298 T299 K304 K305 L306 L346I274-A301 HydrophobicContact CD1-CB 3.73Å; C297-A301 PolarHBondContact O-N 2.87Å; C297-A301 VanDerWaalsContact O-N 3.13Å; L298-A301 WeakPolarHBondContact O-CB 3.43Å; L298-A301 PolarHBondContact O-N 3.32Å; T299-A301 VanDerWaalsContact C-N 3.28Å; T299-A301 PolarHBondContact O-N 3.48Å; A301-K304 PolarHBondContact O-N 2.92Å; A301-K305 PolarHBondContact O-N 3.21Å; A301-L306 HydrophobicContact CB-CB 4.35Å; A301-L306 HydrophobicContact CB-CD1 4.03Å; A301-L306 HydrophobicContact CB-CG 4.42Å; A301-L306 WeakPolarHBondContact O-CB 3.36Å; A301-L306 VanDerWaalsContact O-CG 3.31Å; A301-L306 WeakPolarHBondContact O-CG 3.19Å; A301-L306 PolarHBondContact O-N 3.13Å; A301-L346 HydrophobicContact CB-CD1 4.19Å; A301-L346 HydrophobicContact CB-CD2 4.11Å
302E95.7Very high96.6Very high34 Ų3442.1 Ų42.116%0.15920%0.203CC..Hα-helixtrans-67-36.9179.4-73.9171.8172.700112.6L298 T299 K304 K305 H337 S344 S345 L346L298-E302 WeakPolarHBondContact O-CG 3.21Å; L298-E302 PolarHBondContact O-N 3.11Å; T299-E302 WeakPolarHBondContact O-CA 3.31Å; T299-E302 WeakPolarHBondContact O-CB 3.38Å; T299-E302 PolarHBondContact O-N 3.43Å; E302-K304 PolarHBondContact O-N 3.46Å; E302-K305 VanDerWaalsContact O-CA 3.27Å; E302-K305 WeakPolarHBondContact O-CA 3.35Å; E302-K305 PolarHBondContact O-N 3.15Å; E302-H337 VanDerWaalsContact CD-NE2 3.33Å; E302-H337 IonicContact OE1-CD2 2.64Å; E302-H337 IonicContact OE1-NE2 2.78Å; E302-H337 PolarHBondContact OE1-NE2 3.02Å; E302-H337 IonicContact OE2-CE1 3.83Å; E302-H337 IonicContact OE2-NE2 3.65Å; E302-H337 PolarHBondContact OE2-NE2 2.84Å; E302-H337 VanDerWaalsContact OE2-NE2 3.14Å; E302-S344 WeakPolarHBondContact OE1-CB 2.81Å; E302-S344 PolarHBondContact OE1-OG 3.46Å; E302-S345 WeakPolarHBondContact CA-OG 3.28Å; E302-L346 HydrophobicContact CG-CD1 3.9Å; E302-L346 HydrophobicContact CG-CG 4.04Å
303D95.4Very high96.1Very high122 Ų12238.5 Ų38.565%0.65219%0.189SC*.Hα-helixtrans-60.4-34.3175.5-73.9-20000112.2T299 K305T299-D303 VanDerWaalsContact O-CG 3.31Å; T299-D303 PolarHBondContact O-N 2.88Å; D303-K305 VanDerWaalsContact C-N 3.26Å
304K96.6Very high95.4Very high117 Ų11739.6 Ų39.651%0.50919%0.193SC..THydrogen-bonded Turntrans-86.45.1171.8-61.9-54.6-176-175.80113.5L262 F272 A301 E302 L306L262-K304 HydrophobicContact CD2-CB 4.48Å; L262-K304 HydrophobicContact CD2-CG 3.56Å; F272-K304 HydrophobicContact CE2-CB 4.22Å; F272-K304 HydrophobicContact CE2-CG 4.4Å; F272-K304 HydrophobicContact CZ-CD 4.41Å; F272-K304 HydrophobicContact CZ-CG 4.4Å; A301-K304 PolarHBondContact O-N 2.92Å; E302-K304 PolarHBondContact O-N 3.46Å; K304-L306 HydrophobicContact CB-CD2 3.87Å; K304-L306 HydrophobicContact CB-CG 3.95Å; K304-L306 PolarHBondContact O-N 3.32Å
305K96.1Very high94.6Very high168 Ų16840.5 Ų40.573%0.7320%0.199SC*.THydrogen-bonded Turntrans55.736.6-179-56.6-176.1179.6-175.40112.8A301 E302 D303A301-K305 PolarHBondContact O-N 3.21Å; E302-K305 VanDerWaalsContact O-CA 3.27Å; E302-K305 WeakPolarHBondContact O-CA 3.35Å; E302-K305 PolarHBondContact O-N 3.15Å; D303-K305 VanDerWaalsContact C-N 3.26Å
306L96.8Very high93.5Very high3 Ų341.5 Ų41.52%0.01621%0.214CC..  trans-68.6143.3178.6-53.5-173.2000110.3E213 F272 A301 K304 S345 L346E213-L306 HydrophobicContact CB-CB 4.14Å; E213-L306 HydrophobicContact CB-CD1 4.48Å; E213-L306 HydrophobicContact CB-CD2 4.05Å; E213-L306 HydrophobicContact CB-CG 4.42Å; E213-L306 VanDerWaalsContact OE2-CA 3.23Å; E213-L306 WeakPolarHBondContact OE2-CA 3.21Å; F272-L306 HydrophobicContact CD2-CD1 4.19Å; F272-L306 HydrophobicContact CD2-CD2 3.68Å; F272-L306 HydrophobicContact CE2-CD2 3.9Å; A301-L306 HydrophobicContact CB-CB 4.35Å; A301-L306 HydrophobicContact CB-CD1 4.03Å; A301-L306 HydrophobicContact CB-CG 4.42Å; A301-L306 WeakPolarHBondContact O-CB 3.36Å; A301-L306 VanDerWaalsContact O-CG 3.31Å; A301-L306 WeakPolarHBondContact O-CG 3.19Å; A301-L306 PolarHBondContact O-N 3.13Å; K304-L306 HydrophobicContact CB-CD2 3.87Å; K304-L306 HydrophobicContact CB-CG 3.95Å; K304-L306 PolarHBondContact O-N 3.32Å; L306-S345 CarbonylContact O-C 3.59Å; L306-S345 WeakPolarHBondContact O-CB 3.42Å; L306-S345 PolarHBondContact O-OG 3.25Å; L306-L346 HydrophobicContact CB-CD2 4.25Å; L306-L346 WeakPolarHBondContact O-CD2 3.4Å; L306-L346 PolarHBondContact O-N 3.04Å
307K96.1Very high92.1Very high133 Ų13341.7 Ų41.758%0.57823%0.229SC*.SBendtrans-92.7-20.7176.6-63.2178.4-177.3176.20112.4E213 K347 N348E213-K307 PolarHBondContact OE2-N 2.91Å; K307-K347 PolarHBondContact O-N 3.42Å; K307-N348 PolarHBondContact O-N 3.27Å; K307-N348 VanDerWaalsContact O-N 3.11Å
308S96.9Very high90.5Very high14 Ų1453 Ų5310%0.09827%0.272CS..EExtended strand (participates in β ladder)trans-146.5142.7-179.261.50000112.9V212 E213 G214 N348V212-S308 WeakPolarHBondContact CG2-OG 3.43Å; E213-S308 PolarHBondContact N-O 2.81Å; E213-S308 PolarHBondContact N-OG 2.82Å; G214-S308 PolarHBondContact N-O 3.18Å; G214-S308 VanDerWaalsContact N-O 3.1Å; S308-N348 WeakPolarHBondContact CA-O 3.37Å
309V97.7Very high89.4Confident0 Ų058 Ų580%030%0.298CS..EExtended strand (participates in β ladder)trans-137.8144.3178.966.80000110.6G214 V216 I274 L298 F311 L346 N348 I349 Y350G214-V309 CarbonylContact O-C 3.53Å; G214-V309 VanDerWaalsContact O-CA 3.32Å; G214-V309 WeakPolarHBondContact O-CA 3.23Å; V216-V309 HydrophobicContact CG2-CG2 3.89Å; I274-V309 HydrophobicContact CD1-CG2 3.97Å; L298-V309 HydrophobicContact CD2-CG1 4.25Å; V309-F311 HydrophobicContact CG1-CD2 4.48Å; V309-F311 HydrophobicContact CG1-CE2 3.84Å; V309-F311 HydrophobicContact CG2-CE2 4.32Å; V309-L346 HydrophobicContact CB-CD2 4.03Å; V309-L346 HydrophobicContact CG1-CD1 4.18Å; V309-L346 HydrophobicContact CG1-CD2 3.93Å; V309-N348 PolarHBondContact N-O 3Å; V309-N348 VanDerWaalsContact N-O 3.08Å; V309-I349 HydrophobicContact CG1-CG1 4.07Å; V309-I349 HydrophobicContact CG1-CG2 4.25Å; V309-I349 WeakPolarHBondContact O-CA 3.3Å; V309-Y350 PolarHBondContact O-N 3.43Å
310A97Very high88.9Confident0 Ų057 Ų570%029%0.293CS..EExtended strand (participates in β ladder)trans-115.8129.1178.300000111.5M210 V212 G214 I215 V216 Y350 L352M210-A310 HydrophobicContact CE-CB 3.3Å; M210-A310 HydrophobicContact SD-CB 3.71Å; V212-A310 HydrophobicContact CG1-CB 4.02Å; V212-A310 HydrophobicContact CG2-CB 4.1Å; G214-A310 PolarHBondContact O-N 2.8Å; I215-A310 HydrophobicContact CG1-CB 4.49Å; V216-A310 WeakPolarHBondContact CB-O 3.22Å; V216-A310 WeakPolarHBondContact CG2-O 3.34Å; V216-A310 PolarHBondContact N-O 2.9Å; A310-Y350 CarbonylContact C-O 3.53Å; A310-Y350 WeakPolarHBondContact CA-O 3.27Å; A310-L352 HydrophobicContact CB-CD1 4.19Å; A310-L352 HydrophobicContact CB-CG 4.35Å
311F96.3Very high88.6Confident1 Ų156.9 Ų56.90%0.00429%0.29CS..EExtended strand (participates in β ladder)trans-102.1116.8171.3-70.9-93000109V216 I294 C297 L298 V309 I334 I349 Y350 F351 L352V216-F311 HydrophobicContact CB-CD1 4.12Å; V216-F311 HydrophobicContact CB-CE1 4.42Å; V216-F311 HydrophobicContact CG1-CD1 4.15Å; V216-F311 HydrophobicContact CG1-CE1 4.34Å; V216-F311 HydrophobicContact CG2-CD1 3.83Å; V216-F311 HydrophobicContact CG2-CE1 3.74Å; V216-F311 HydrophobicContact CG2-CE2 4.49Å; V216-F311 HydrophobicContact CG2-CG 4.26Å; V216-F311 HydrophobicContact CG2-CZ 4.09Å; I294-F311 HydrophobicContact CD1-CD1 3.96Å; I294-F311 HydrophobicContact CD1-CE1 3.7Å; I294-F311 HydrophobicContact CG2-CE1 4.29Å; I294-F311 HydrophobicContact CG2-CZ 4.33Å; C297-F311 HydrophobicContact CB-CE1 3.99Å; C297-F311 HydrophobicContact CB-CZ 4.14Å; L298-F311 HydrophobicContact CD2-CE2 3.96Å; L298-F311 HydrophobicContact CD2-CZ 3.89Å; L298-F311 HydrophobicContact CG-CZ 4.27Å; V309-F311 HydrophobicContact CG1-CD2 4.48Å; V309-F311 HydrophobicContact CG1-CE2 3.84Å; V309-F311 HydrophobicContact CG2-CE2 4.32Å; F311-I334 HydrophobicContact CD2-CD1 4.35Å; F311-I334 HydrophobicContact CE2-CD1 4.15Å; F311-I349 HydrophobicContact CD2-CG2 3.79Å; F311-I349 HydrophobicContact CE2-CG2 3.88Å; F311-Y350 PolarHBondContact N-O 2.99Å; F311-F351 HydrophobicContact CB-CD1 4.14Å; F311-F351 HydrophobicContact CB-CE1 4.45Å; F311-F351 WeakPolarHBondContact O-CA 3.35Å; F311-L352 PolarHBondContact O-N 3.23Å
312P92.7Very high88.5Confident2 Ų259.6 Ų59.61%0.01331%0.308CS..PPolyproline II helixtrans-71.4170.3170.434.9-37.8000111.1V216 P218 I229 F314V216-P312 WeakPolarHBondContact O-CD 3.3Å; V216-P312 WeakPolarHBondContact O-CG 3.43Å; P218-P312 VanDerWaalsContact CD-CG 3.47Å; P218-P312 HydrophobicContact CG-CG 3.96Å; I229-P312 HydrophobicContact CD1-CB 3.96Å; I229-P312 HydrophobicContact CD1-CG 4.47Å; I229-P312 HydrophobicContact CG1-CB 4.02Å; I229-P312 HydrophobicContact CG1-CG 4.1Å; P312-F314 PolarHBondContact O-N 3.34Å
313P85.3Confident88.3Confident28 Ų2860.4 Ų60.418%0.18231%0.311CS..PPolyproline II helixtrans-57.9138.3169.7-19.533.2000109.8L352 F354P313-L352 WeakPolarHBondContact CD-O 3.5Å; P313-L352 VanDerWaalsContact CG-O 3.24Å; P313-L352 WeakPolarHBondContact CG-O 3.42Å; P313-F354 VanDerWaalsContact CD-CE2 3.45Å; P313-F354 HydrophobicContact CG-CD2 3.63Å; P313-F354 HydrophobicContact CG-CE2 3.68Å; P313-F354 HydrophobicContact CG-CG 4.32Å; P313-F354 HydrophobicContact CG-CZ 4.43Å
314F83.9Confident88.2Confident23 Ų2359.3 Ų59.310%0.10130%0.302CS..PPolyproline II helixtrans-65.6151170.6-81.1-80.4000110.6P218 I278 L290 I294 P312 A326 T330P218-F314 HydrophobicContact CB-CD1 4.36Å; P218-F314 HydrophobicContact CB-CE1 4.41Å; P218-F314 HydrophobicContact CG-CD1 4.27Å; P218-F314 HydrophobicContact CG-CE1 4.19Å; I278-F314 HydrophobicContact CD1-CD1 4.45Å; I278-F314 HydrophobicContact CG2-CD1 4.03Å; I278-F314 HydrophobicContact CG2-CE1 3.63Å; L290-F314 HydrophobicContact CD1-CD1 4.25Å; L290-F314 HydrophobicContact CD1-CE1 3.76Å; L290-F314 HydrophobicContact CD1-CZ 3.97Å; I294-F314 HydrophobicContact CD1-CE2 3.87Å; I294-F314 HydrophobicContact CD1-CZ 3.44Å; I294-F314 VanDerWaalsContact CD1-CZ 3.44Å; P312-F314 PolarHBondContact O-N 3.34Å; F314-A326 HydrophobicContact CB-CB 4.3Å; F314-A326 HydrophobicContact CD2-CB 4.33Å; F314-T330 HydrophobicContact CE2-CG2 4.36Å; F314-T330 VanDerWaalsContact CE2-OG1 3.29Å; F314-T330 WeakPolarHBondContact CE2-OG1 3.42Å
315P80.9Confident88Confident20 Ų2055 Ų5513%0.1329%0.285CS..PPolyproline II helixtrans-56.8144.8178-25.338.7000110.4P218 E227 I278 C320P218-P315 HydrophobicContact CB-CG 4.21Å; E227-P315 WeakPolarHBondContact OE2-CB 3.32Å; E227-P315 WeakPolarHBondContact OE2-CG 3.45Å; I278-P315 HydrophobicContact CD1-CB 4.41Å; I278-P315 VanDerWaalsContact CD1-CD 3.49Å; I278-P315 HydrophobicContact CD1-CG 3.57Å; P315-C320 VanDerWaalsContact O-CB 3.3Å; P315-C320 WeakPolarHBondContact O-CB 3.4Å
316S73.5Confident87.9Confident83 Ų8347.2 Ų47.258%0.5825%0.252SS*.  trans-129.1147.7-178.766.80000110.6
317G67.8Low87.8Confident59 Ų5947 Ų4761%0.60825%0.252SS*.SBendtrans134.6-153.8-174.700000113.7N319 C320G317-N319 PolarHBondContact O-N 3.18Å; G317-C320 PolarHBondContact O-N 2.88Å
318R65.3Low87.7Confident236 Ų23645 Ų4589%0.89124%0.244SC*.THydrogen-bonded Turntrans-70.5126.6-176.6-145.8-173.2-65.2170.70.6109.1C320R318-C320 PolarHBondContact O-N 3.42Å
319N73.3Confident87.6Confident105 Ų10544.4 Ų44.456%0.56124%0.24SC*.THydrogen-bonded Turntrans62.721.6-174.6-53.9-10.4000114.9W281 G317W281-N319 WeakPolarHBondContact CB-O 3.32Å; W281-N319 PolarHBondContact N-O 2.9Å; G317-N319 PolarHBondContact O-N 3.18Å
320C87.1Confident87.5Confident34 Ų3444.4 Ų44.423%0.2324%0.24CC..SBendtrans-102.1157.8171.5-60.70000111.1W281 P315 G317 R318W281-C320 VanDerWaalsContact CB-O 3.3Å; W281-C320 WeakPolarHBondContact CB-O 3.28Å; P315-C320 VanDerWaalsContact O-CB 3.3Å; P315-C320 WeakPolarHBondContact O-CB 3.4Å; G317-C320 PolarHBondContact O-N 2.88Å; R318-C320 PolarHBondContact O-N 3.42Å
321F90Very high87.4Confident13 Ų1344.6 Ų44.66%0.05724%0.241CC..PPolyproline II helixtrans-63.2140.2177.8-76.7-100.5000110.9P279 W281 C286 E287 L290 K323 T325 A326P279-F321 HydrophobicContact CG-CE2 3.96Å; P279-F321 HydrophobicContact CG-CZ 3.96Å; P279-F321 WeakPolarHBondContact O-CE2 3.36Å; W281-F321 HydrophobicContact CB-CD2 4.29Å; W281-F321 HydrophobicContact CB-CG 4.45Å; W281-F321 HydrophobicContact CD2-CD1 4.35Å; W281-F321 HydrophobicContact CE3-CB 4.49Å; W281-F321 AromaticContact CE3-CD1 3.29Å; W281-F321 HydrophobicContact CE3-CD1 3.29Å; W281-F321 AromaticContact CE3-CE1 3.47Å; W281-F321 HydrophobicContact CE3-CE1 3.47Å; W281-F321 VanDerWaalsContact CE3-CE1 3.47Å; W281-F321 AromaticContact CE3-CG 3.89Å; W281-F321 HydrophobicContact CE3-CG 3.89Å; W281-F321 HydrophobicContact CE3-CZ 4.19Å; W281-F321 AromaticContact CZ3-CD1 3.66Å; W281-F321 HydrophobicContact CZ3-CD1 3.66Å; W281-F321 AromaticContact CZ3-CE1 3.8Å; W281-F321 HydrophobicContact CZ3-CE1 3.8Å; C286-F321 HydrophobicContact CB-CE1 4.34Å; C286-F321 HydrophobicContact CB-CZ 3.74Å; C286-F321 WeakPolarHBondContact O-CZ 3.5Å; E287-F321 HydrophobicContact CG-CE1 4.12Å; L290-F321 HydrophobicContact CB-CE1 4.21Å; L290-F321 HydrophobicContact CB-CE2 4.45Å; L290-F321 HydrophobicContact CB-CZ 3.89Å; L290-F321 HydrophobicContact CD2-CD1 3.79Å; L290-F321 HydrophobicContact CD2-CD2 4.24Å; L290-F321 HydrophobicContact CD2-CE1 3.74Å; L290-F321 HydrophobicContact CD2-CE2 4.2Å; L290-F321 HydrophobicContact CD2-CG 4.06Å; L290-F321 HydrophobicContact CD2-CZ 3.95Å; L290-F321 HydrophobicContact CG-CZ 4.46Å; F321-K323 PolarHBondContact O-N 3.35Å; F321-T325 HydrophobicContact CD1-CG2 4.3Å; F321-A326 HydrophobicContact CB-CB 3.93Å
322P93.1Very high87.3Confident57 Ų5749.1 Ų49.137%0.3726%0.258SS..PPolyproline II helixtrans-55134.9163.4-22.933.2000110W281 Q324 T325 A326W281-P322 HydrophobicContact CH2-CG 4.42Å; W281-P322 HydrophobicContact CZ2-CG 3.97Å; P322-Q324 PolarHBondContact O-N 3.02Å; P322-Q324 VanDerWaalsContact O-N 3.12Å; P322-T325 PolarHBondContact O-N 3.45Å; P322-A326 PolarHBondContact O-N 2.55Å
323K92.1Very high87.4Confident51 Ų5149 Ų4922%0.22226%0.257CS..Hα-helixtrans-50.4-41.4-177.6-71.4179.2173.2179.90112.6F321 A327 D355 E357 S358 I361F321-K323 PolarHBondContact O-N 3.35Å; K323-A327 WeakPolarHBondContact O-CB 3.41Å; K323-A327 PolarHBondContact O-N 3.48Å; K323-D355 IonicContact NZ-OD1 3.14Å; K323-D355 PolarHBondContact NZ-OD1 3.3Å; K323-D355 IonicContact NZ-OD2 2.94Å; K323-E357 HydrophobicContact CD-CG 4.23Å; K323-E357 IonicContact NZ-OE2 3.63Å; K323-E357 PolarHBondContact NZ-OE2 3.46Å; K323-S358 WeakPolarHBondContact CD-OG 3.39Å; K323-S358 WeakPolarHBondContact CE-OG 3.49Å; K323-S358 PolarHBondContact NZ-OG 3.31Å; K323-I361 HydrophobicContact CB-CD1 3.53Å; K323-I361 HydrophobicContact CD-CD1 4.32Å
324Q92.8Very high87.8Confident98 Ų9847.7 Ų47.746%0.45825%0.248SC..Hα-helixtrans-63.2-48.5177.6-174.7169.422.400112.8P322 A327 Q328 I361 E365P322-Q324 PolarHBondContact O-N 3.02Å; P322-Q324 VanDerWaalsContact O-N 3.12Å; Q324-A327 PolarHBondContact O-N 3Å; Q324-Q328 WeakPolarHBondContact O-CB 3.44Å; Q324-Q328 PolarHBondContact O-N 3.33Å; Q324-I361 HydrophobicContact CB-CG2 4.27Å; Q324-E365 PolarHBondContact NE2-OE1 2.88Å
325T93.6Very high88.2Confident27 Ų2747.6 Ų47.617%0.16625%0.251CS..Hα-helixtrans-62.4-45.2177.8-530000110.9W281 E287 F321 P322 A327 Q328 V329W281-T325 HydrophobicContact CH2-CG2 4.23Å; W281-T325 HydrophobicContact CZ3-CG2 3.97Å; E287-T325 HydrophobicContact CG-CG2 4.04Å; F321-T325 HydrophobicContact CD1-CG2 4.3Å; P322-T325 PolarHBondContact O-N 3.45Å; T325-A327 PolarHBondContact O-N 3.43Å; T325-Q328 PolarHBondContact O-N 3.3Å; T325-V329 HydrophobicContact CG2-CG2 4.27Å; T325-V329 WeakPolarHBondContact O-CB 3.5Å; T325-V329 VanDerWaalsContact O-CG2 3.3Å; T325-V329 WeakPolarHBondContact O-CG2 3.24Å; T325-V329 PolarHBondContact O-N 2.78Å
326A94.3Very high88.7Confident4 Ų449.7 Ų49.73%0.03326%0.263CS..Hα-helixtrans-59.2-47.2177.500000111.9F314 F321 P322 T330F314-A326 HydrophobicContact CB-CB 4.3Å; F314-A326 HydrophobicContact CD2-CB 4.33Å; F321-A326 HydrophobicContact CB-CB 3.93Å; P322-A326 PolarHBondContact O-N 2.55Å; A326-T330 WeakPolarHBondContact O-CB 3.49Å; A326-T330 PolarHBondContact O-N 3.36Å; A326-T330 PolarHBondContact O-OG1 3.05Å
327A94.2Very high89.6Confident0 Ų046.7 Ų46.70%024%0.24CC..Hα-helixtrans-61.4-45.9177.700000111.9K323 Q324 T325 T330 L331 I361 Y362 E365K323-A327 WeakPolarHBondContact O-CB 3.41Å; K323-A327 PolarHBondContact O-N 3.48Å; Q324-A327 PolarHBondContact O-N 3Å; T325-A327 PolarHBondContact O-N 3.43Å; A327-T330 PolarHBondContact O-N 2.87Å; A327-L331 WeakPolarHBondContact O-CB 3.35Å; A327-L331 VanDerWaalsContact O-CG 3.31Å; A327-L331 WeakPolarHBondContact O-CG 3.5Å; A327-L331 PolarHBondContact O-N 3.46Å; A327-I361 HydrophobicContact CB-CG2 3.67Å; A327-Y362 HydrophobicContact CB-CD1 4.33Å; A327-Y362 HydrophobicContact CB-CD2 3.75Å; A327-Y362 HydrophobicContact CB-CE1 4.13Å; A327-Y362 HydrophobicContact CB-CE2 3.54Å; A327-Y362 HydrophobicContact CB-CG 4.16Å; A327-E365 HydrophobicContact CB-CG 4.21Å
328Q94.3Very high90.7Very high91 Ų9144 Ų4443%0.42521%0.211SC..Hα-helixtrans-62.1-49.8179.7-173.6-176.95.800111.8Q324 T325 T330 R332Q324-Q328 WeakPolarHBondContact O-CB 3.44Å; Q324-Q328 PolarHBondContact O-N 3.33Å; T325-Q328 PolarHBondContact O-N 3.3Å; Q328-T330 VanDerWaalsContact C-N 3.35Å; Q328-R332 VanDerWaalsContact O-CB 3.24Å; Q328-R332 WeakPolarHBondContact O-CB 3.5Å; Q328-R332 PolarHBondContact O-N 3Å
329V95.1Very high91.7Very high0 Ų037.5 Ų37.50%020%0.195CC..Hα-helixtrans-63-43.6179.4173.40000110.5E287 L290 E291 T325 R332 A333E287-V329 HydrophobicContact CB-CG2 4.24Å; E287-V329 HydrophobicContact CG-CG2 4.27Å; E287-V329 WeakPolarHBondContact O-CG1 3.3Å; L290-V329 HydrophobicContact CB-CG1 4.06Å; L290-V329 HydrophobicContact CD2-CB 4.11Å; L290-V329 HydrophobicContact CD2-CG1 3.95Å; L290-V329 HydrophobicContact CG-CG1 3.9Å; E291-V329 HydrophobicContact CB-CG1 3.91Å; T325-V329 HydrophobicContact CG2-CG2 4.27Å; T325-V329 WeakPolarHBondContact O-CB 3.5Å; T325-V329 VanDerWaalsContact O-CG2 3.3Å; T325-V329 WeakPolarHBondContact O-CG2 3.24Å; T325-V329 PolarHBondContact O-N 2.78Å; V329-R332 PolarHBondContact O-N 2.96Å; V329-A333 VanDerWaalsContact O-CB 3.27Å; V329-A333 WeakPolarHBondContact O-CB 3.16Å; V329-A333 PolarHBondContact O-N 2.64Å
330T95.8Very high92.2Very high0 Ų035.6 Ų35.60%020%0.2CC..Hα-helixtrans-62.2-50.5180-59.60000112.1I294 F314 A326 A327 Q328 R332 A333 I334 F351I294-T330 HydrophobicContact CD1-CG2 3.8Å; I294-T330 HydrophobicContact CG1-CG2 4.28Å; F314-T330 HydrophobicContact CE2-CG2 4.36Å; F314-T330 VanDerWaalsContact CE2-OG1 3.29Å; F314-T330 WeakPolarHBondContact CE2-OG1 3.42Å; A326-T330 WeakPolarHBondContact O-CB 3.49Å; A326-T330 PolarHBondContact O-N 3.36Å; A326-T330 PolarHBondContact O-OG1 3.05Å; A327-T330 PolarHBondContact O-N 2.87Å; Q328-T330 VanDerWaalsContact C-N 3.35Å; T330-R332 VanDerWaalsContact C-N 3.33Å; T330-R332 PolarHBondContact O-N 3.22Å; T330-A333 PolarHBondContact O-N 3.26Å; T330-I334 HydrophobicContact CG2-CD1 3.8Å; T330-I334 WeakPolarHBondContact O-CG1 3.47Å; T330-I334 PolarHBondContact O-N 3.25Å; T330-F351 HydrophobicContact CG2-CE1 3.78Å
331L93.9Very high91.8Very high4 Ų436 Ų362%0.02120%0.201CC..Hα-helixtrans-64.4-38.9179.6-71.9169.4000111.7L197 A327 S335 F351 Y362 E365 M366 L369L197-L331 HydrophobicContact CD1-CD2 4.27Å; A327-L331 WeakPolarHBondContact O-CB 3.35Å; A327-L331 VanDerWaalsContact O-CG 3.31Å; A327-L331 WeakPolarHBondContact O-CG 3.5Å; A327-L331 PolarHBondContact O-N 3.46Å; L331-S335 WeakPolarHBondContact O-CB 3.38Å; L331-S335 PolarHBondContact O-N 2.99Å; L331-F351 HydrophobicContact CD2-CD2 4.46Å; L331-F351 HydrophobicContact CD2-CE1 4.17Å; L331-F351 HydrophobicContact CD2-CE2 3.61Å; L331-F351 HydrophobicContact CD2-CZ 3.42Å; L331-F351 VanDerWaalsContact CD2-CZ 3.42Å; L331-F351 HydrophobicContact CG-CZ 4.46Å; L331-Y362 HydrophobicContact CD1-CD1 4.24Å; L331-Y362 HydrophobicContact CG-CD1 4.49Å; L331-Y362 HydrophobicContact CG-CE1 4.46Å; L331-E365 HydrophobicContact CD1-CB 3.49Å; L331-E365 VanDerWaalsContact CD1-CB 3.49Å; L331-M366 HydrophobicContact CD1-CG 3.82Å; L331-M366 HydrophobicContact CD2-CG 3.78Å; L331-M366 HydrophobicContact CG-CG 4.5Å; L331-L369 HydrophobicContact CB-CD1 4.2Å; L331-L369 HydrophobicContact CB-CD2 4.42Å; L331-L369 HydrophobicContact CD2-CD1 4Å; L331-L369 HydrophobicContact CG-CD1 4.5Å
332R93.4Very high91Very high96 Ų9641.8 Ų41.836%0.36224%0.243SC..Hα-helixtrans-63.4-44.1174.3-176.2-179.474-151.90.4112E291 Q328 V329 T330 S335 T336E291-R332 IonicContact OE2-CZ 2.76Å; E291-R332 IonicContact OE2-NE 3.59Å; E291-R332 PolarHBondContact OE2-NE 2.92Å; E291-R332 IonicContact OE2-NH2 3.06Å; E291-R332 PolarHBondContact OE2-NH2 3.15Å; Q328-R332 VanDerWaalsContact O-CB 3.24Å; Q328-R332 WeakPolarHBondContact O-CB 3.5Å; Q328-R332 PolarHBondContact O-N 3Å; V329-R332 PolarHBondContact O-N 2.96Å; T330-R332 VanDerWaalsContact C-N 3.33Å; T330-R332 PolarHBondContact O-N 3.22Å; R332-S335 PolarHBondContact O-N 2.85Å; R332-T336 WeakPolarHBondContact O-CB 3.33Å; R332-T336 PolarHBondContact O-N 3.43Å; R332-T336 PolarHBondContact O-OG1 2.85Å
333A94.8Very high90.5Very high0 Ų044.2 Ų44.20%026%0.261CS..Hα-helixtrans-62.2-45.5179.300000111.1E291 I294 V329 T330 T336 H337E291-A333 HydrophobicContact CB-CB 4.25Å; E291-A333 HydrophobicContact CG-CB 3.76Å; I294-A333 HydrophobicContact CB-CB 3.75Å; I294-A333 HydrophobicContact CG1-CB 4.32Å; I294-A333 HydrophobicContact CG2-CB 3.66Å; V329-A333 VanDerWaalsContact O-CB 3.27Å; V329-A333 WeakPolarHBondContact O-CB 3.16Å; V329-A333 PolarHBondContact O-N 2.64Å; T330-A333 PolarHBondContact O-N 3.26Å; A333-T336 PolarHBondContact O-N 2.91Å; A333-H337 WeakPolarHBondContact O-CB 3.39Å; A333-H337 PolarHBondContact O-N 3.33Å
334I94.7Very high90.3Very high0 Ų042.3 Ų42.30%025%0.254CS..Hα-helixtrans-64.3-45178.1-70.8164.3000111.5L197 I294 L298 F311 T330 H337 F338 I349 F351L197-I334 HydrophobicContact CD2-CG2 3.73Å; I294-I334 HydrophobicContact CG2-CD1 4.27Å; I294-I334 HydrophobicContact CG2-CG1 3.69Å; L298-I334 HydrophobicContact CD1-CG1 4.02Å; F311-I334 HydrophobicContact CD2-CD1 4.35Å; F311-I334 HydrophobicContact CE2-CD1 4.15Å; T330-I334 HydrophobicContact CG2-CD1 3.8Å; T330-I334 WeakPolarHBondContact O-CG1 3.47Å; T330-I334 PolarHBondContact O-N 3.25Å; I334-H337 PolarHBondContact O-N 3.4Å; I334-F338 HydrophobicContact CG2-CD2 3.76Å; I334-F338 HydrophobicContact CG2-CE2 3.62Å; I334-F338 WeakPolarHBondContact O-CD2 3.33Å; I334-F338 PolarHBondContact O-N 3.42Å; I334-F338 VanDerWaalsContact O-N 3.16Å; I334-I349 HydrophobicContact CD1-CG2 4.2Å; I334-F351 HydrophobicContact CD1-CE1 3.52Å; I334-F351 HydrophobicContact CD1-CZ 3.38Å
335S91.2Very high90.4Very high21 Ų2139.2 Ų39.215%0.14724%0.244CC..Hα-helixtrans-59.7-52175.4-167.50000110.8L331 R332 H337 F338 D339L331-S335 WeakPolarHBondContact O-CB 3.38Å; L331-S335 PolarHBondContact O-N 2.99Å; R332-S335 PolarHBondContact O-N 2.85Å; S335-H337 VanDerWaalsContact C-N 3.29Å; S335-H337 PolarHBondContact O-N 3.3Å; S335-F338 PolarHBondContact O-N 3.37Å; S335-D339 WeakPolarHBondContact O-CB 3.49Å; S335-D339 PolarHBondContact O-N 3.15Å; S335-D339 PolarHBondContact OG-OD2 2.75Å
336T91.8Very high90.5Very high64 Ų6438 Ų3839%0.39324%0.236SC..Hα-helixtrans-58.4-40.2-179.7-55.20000112R332 A333 G340R332-T336 WeakPolarHBondContact O-CB 3.33Å; R332-T336 PolarHBondContact O-N 3.43Å; R332-T336 PolarHBondContact O-OG1 2.85Å; A333-T336 PolarHBondContact O-N 2.91Å; T336-G340 PolarHBondContact O-N 2.89Å
337H92.9Very high90.4Very high20 Ų2042.7 Ų42.79%0.09326%0.256CS..Hα-helixtrans-60.8-48.5177.3-17682.2000111.7L298 E302 A333 I334 S335 G340 T341L298-H337 HydrophobicContact CD1-CB 3.63Å; E302-H337 VanDerWaalsContact CD-NE2 3.33Å; E302-H337 IonicContact OE1-CD2 2.64Å; E302-H337 IonicContact OE1-NE2 2.78Å; E302-H337 PolarHBondContact OE1-NE2 3.02Å; E302-H337 IonicContact OE2-CE1 3.83Å; E302-H337 IonicContact OE2-NE2 3.65Å; E302-H337 PolarHBondContact OE2-NE2 2.84Å; E302-H337 VanDerWaalsContact OE2-NE2 3.14Å; A333-H337 WeakPolarHBondContact O-CB 3.39Å; A333-H337 PolarHBondContact O-N 3.33Å; I334-H337 PolarHBondContact O-N 3.4Å; S335-H337 VanDerWaalsContact C-N 3.29Å; S335-H337 PolarHBondContact O-N 3.3Å; H337-G340 PolarHBondContact O-N 3.06Å; H337-T341 WeakPolarHBondContact O-CB 3.21Å; H337-T341 PolarHBondContact O-N 2.77Å; H337-T341 VanDerWaalsContact O-N 3.14Å; H337-T341 PolarHBondContact O-OG1 2.76Å
338F90.7Very high90.5Very high2 Ų244.6 Ų44.61%0.00927%0.266CS..Hα-helixtrans-76.9-28.3-178.4-68.5-53.5000113.6L191 P193 Q195 L298 I334 S335 G340 S344 L346 I349L191-F338 HydrophobicContact CD1-CB 4.21Å; L191-F338 HydrophobicContact CD1-CD2 3.7Å; L191-F338 HydrophobicContact CD1-CG 4.35Å; P193-F338 HydrophobicContact CG-CB 4.49Å; Q195-F338 HydrophobicContact CB-CD2 4.35Å; Q195-F338 HydrophobicContact CB-CE2 4.41Å; Q195-F338 HydrophobicContact CG-CD1 3.79Å; Q195-F338 HydrophobicContact CG-CD2 4.11Å; Q195-F338 HydrophobicContact CG-CE1 3.89Å; Q195-F338 HydrophobicContact CG-CE2 4.17Å; Q195-F338 HydrophobicContact CG-CG 3.92Å; Q195-F338 HydrophobicContact CG-CZ 4.08Å; L298-F338 HydrophobicContact CD2-CZ 4.3Å; I334-F338 HydrophobicContact CG2-CD2 3.76Å; I334-F338 HydrophobicContact CG2-CE2 3.62Å; I334-F338 WeakPolarHBondContact O-CD2 3.33Å; I334-F338 PolarHBondContact O-N 3.42Å; I334-F338 VanDerWaalsContact O-N 3.16Å; S335-F338 PolarHBondContact O-N 3.37Å; F338-G340 VanDerWaalsContact C-N 3.31Å; F338-S344 WeakPolarHBondContact CE1-OG 3.38Å; F338-L346 HydrophobicContact CE1-CB 4.14Å; F338-L346 HydrophobicContact CE1-CD1 4.45Å; F338-L346 HydrophobicContact CZ-CB 4.01Å; F338-L346 HydrophobicContact CZ-CD1 4.08Å; F338-I349 HydrophobicContact CD2-CD1 4.44Å; F338-I349 HydrophobicContact CE2-CD1 3.39Å; F338-I349 HydrophobicContact CE2-CG1 3.94Å; F338-I349 HydrophobicContact CZ-CD1 3.63Å; F338-I349 HydrophobicContact CZ-CG1 4.13Å
339D87.6Confident90.6Very high101 Ų10140.2 Ų40.254%0.5425%0.246SC..Hα-helixtrans-67.8-34.2172.4-68-28.9000111.4S335S335-D339 WeakPolarHBondContact O-CB 3.49Å; S335-D339 PolarHBondContact O-N 3.15Å; S335-D339 PolarHBondContact OG-OD2 2.75Å
340G82.2Confident90.6Very high65 Ų6540.6 Ų40.667%0.6725%0.247SC*.Hα-helixtrans-85.5-12.2178.400000115.2T336 H337 F338T336-G340 PolarHBondContact O-N 2.89Å; H337-G340 PolarHBondContact O-N 3.06Å; F338-G340 VanDerWaalsContact C-N 3.31Å
341T79.6Confident90.7Very high41 Ų4140.6 Ų40.625%0.25225%0.247SC..  trans-111.9108.3-171.3-580000111.9H337 S343H337-T341 WeakPolarHBondContact O-CB 3.21Å; H337-T341 PolarHBondContact O-N 2.77Å; H337-T341 VanDerWaalsContact O-N 3.14Å; H337-T341 PolarHBondContact O-OG1 2.76Å; T341-S343 VanDerWaalsContact C-N 3.27Å; T341-S343 PolarHBondContact O-N 2.87Å
342S73.4Confident90.7Very high136 Ų13640.4 Ų40.495%0.95125%0.246SC*.SBendtrans-66.2-22.8-178.1-55.80000114.7
343S81.4Confident90.6Very high107 Ų10735.9 Ų35.975%0.74823%0.229SC*.  trans-148.699.7-179.962.70000111.6T341T341-S343 VanDerWaalsContact C-N 3.27Å; T341-S343 PolarHBondContact O-N 2.87Å
344S88.9Confident90.3Very high11 Ų1138.6 Ų38.68%0.07724%0.241CC..  trans-107.2140.8171.2177.10000111.6E302 F338 L346 K347E302-S344 WeakPolarHBondContact OE1-CB 2.81Å; E302-S344 PolarHBondContact OE1-OG 3.46Å; F338-S344 WeakPolarHBondContact CE1-OG 3.38Å; S344-L346 VanDerWaalsContact C-N 3.3Å; S344-L346 PolarHBondContact OG-N 3.45Å; S344-L346 VanDerWaalsContact OG-N 3.1Å; S344-K347 PolarHBondContact O-NZ 2.92Å
345S94.4Very high90Very high34 Ų3441.1 Ų41.124%0.23825%0.254CS..SBendtrans-70.3-28.4170.649.70000111.9E302 L306 K347E302-S345 WeakPolarHBondContact CA-OG 3.28Å; L306-S345 CarbonylContact O-C 3.59Å; L306-S345 WeakPolarHBondContact O-CB 3.42Å; L306-S345 PolarHBondContact O-OG 3.25Å; S345-K347 PolarHBondContact O-N 2.99Å
346L95.2Very high89.7Confident0 Ų043.9 Ų43.90%027%0.274CS..  trans-68.4129.7179.4-67.8170.5000111L298 A301 E302 L306 V309 F338 S344L298-L346 HydrophobicContact CB-CD1 4.41Å; L298-L346 HydrophobicContact CD2-CD1 3.8Å; A301-L346 HydrophobicContact CB-CD1 4.19Å; A301-L346 HydrophobicContact CB-CD2 4.11Å; E302-L346 HydrophobicContact CG-CD1 3.9Å; E302-L346 HydrophobicContact CG-CG 4.04Å; L306-L346 HydrophobicContact CB-CD2 4.25Å; L306-L346 WeakPolarHBondContact O-CD2 3.4Å; L306-L346 PolarHBondContact O-N 3.04Å; V309-L346 HydrophobicContact CB-CD2 4.03Å; V309-L346 HydrophobicContact CG1-CD1 4.18Å; V309-L346 HydrophobicContact CG1-CD2 3.93Å; F338-L346 HydrophobicContact CE1-CB 4.14Å; F338-L346 HydrophobicContact CE1-CD1 4.45Å; F338-L346 HydrophobicContact CZ-CB 4.01Å; F338-L346 HydrophobicContact CZ-CD1 4.08Å; S344-L346 VanDerWaalsContact C-N 3.3Å; S344-L346 PolarHBondContact OG-N 3.45Å; S344-L346 VanDerWaalsContact OG-N 3.1Å
347K93.6Very high89.6Confident104 Ų10446.8 Ų46.845%0.45228%0.283SS..  trans-117.8-36177.2-58-56.7173.7-153.30112.4Q195 K196 K307 S344 S345Q195-K347 CarbonylContact C-O 3.5Å; Q195-K347 WeakPolarHBondContact CA-O 3.48Å; K196-K347 PolarHBondContact N-O 3.47Å; K307-K347 PolarHBondContact O-N 3.42Å; S344-K347 PolarHBondContact O-NZ 2.92Å; S345-K347 PolarHBondContact O-N 2.99Å
348N94.9Very high89.5Confident39 Ų3946.1 Ų46.121%0.20928%0.281CS..EExtended strand (participates in β ladder)trans-122.7127.8-179.4-63-68.8000111K196 K307 S308 V309 Y350K196-N348 WeakPolarHBondContact O-CA 3.48Å; K307-N348 PolarHBondContact O-N 3.27Å; K307-N348 VanDerWaalsContact O-N 3.11Å; S308-N348 WeakPolarHBondContact CA-O 3.37Å; V309-N348 PolarHBondContact N-O 3Å; V309-N348 VanDerWaalsContact N-O 3.08Å; N348-Y350 HydrophobicContact CB-CD2 4.44Å; N348-Y350 HydrophobicContact CB-CE2 3.67Å
349I96.8Very high89.5Confident0 Ų047.2 Ų47.20%029%0.287CS..EExtended strand (participates in β ladder)trans-118.9121.5174.9-57.489.1000107.4Q195 K196 L197 S198 V309 F311 I334 F338 F351Q195-I349 HydrophobicContact CB-CD1 3.96Å; Q195-I349 HydrophobicContact CG-CD1 4.43Å; K196-I349 PolarHBondContact O-N 3.14Å; L197-I349 CarbonylContact C-O 3.6Å; L197-I349 WeakPolarHBondContact CA-O 3.46Å; L197-I349 HydrophobicContact CD2-CB 3.73Å; L197-I349 HydrophobicContact CD2-CD1 3.9Å; L197-I349 HydrophobicContact CD2-CG1 4.18Å; L197-I349 HydrophobicContact CD2-CG2 4.27Å; S198-I349 PolarHBondContact N-O 3.4Å; V309-I349 HydrophobicContact CG1-CG1 4.07Å; V309-I349 HydrophobicContact CG1-CG2 4.25Å; V309-I349 WeakPolarHBondContact O-CA 3.3Å; F311-I349 HydrophobicContact CD2-CG2 3.79Å; F311-I349 HydrophobicContact CE2-CG2 3.88Å; I334-I349 HydrophobicContact CD1-CG2 4.2Å; F338-I349 HydrophobicContact CD2-CD1 4.44Å; F338-I349 HydrophobicContact CE2-CD1 3.39Å; F338-I349 HydrophobicContact CE2-CG1 3.94Å; F338-I349 HydrophobicContact CZ-CD1 3.63Å; F338-I349 HydrophobicContact CZ-CG1 4.13Å; I349-F351 HydrophobicContact CG2-CE2 4.43Å; I349-F351 HydrophobicContact CG2-CZ 4.23Å
350Y96.5Very high89.6Confident7 Ų743.8 Ų43.83%0.02728%0.275CS..EExtended strand (participates in β ladder)trans-105.8131.8-178.1-63.6-79.8000110D177 P179 I185 S198 T200 M210 V212 V309 A310 F311 N348D177-Y350 PolarHBondContact O-OH 2.76Å; D177-Y350 VanDerWaalsContact O-OH 3.08Å; P179-Y350 HydrophobicContact CB-CE1 4.42Å; P179-Y350 HydrophobicContact CG-CE1 4.27Å; I185-Y350 HydrophobicContact CD1-CE1 4.37Å; S198-Y350 WeakPolarHBondContact O-CA 3.24Å; T200-Y350 WeakPolarHBondContact OG1-CD1 3.33Å; M210-Y350 HydrophobicContact CE-CD2 4.13Å; M210-Y350 HydrophobicContact CE-CG 3.97Å; V212-Y350 HydrophobicContact CG2-CD2 3.98Å; V212-Y350 HydrophobicContact CG2-CE2 4.38Å; V309-Y350 PolarHBondContact O-N 3.43Å; A310-Y350 CarbonylContact C-O 3.53Å; A310-Y350 WeakPolarHBondContact CA-O 3.27Å; F311-Y350 PolarHBondContact N-O 2.99Å; N348-Y350 HydrophobicContact CB-CD2 4.44Å; N348-Y350 HydrophobicContact CB-CE2 3.67Å
351F96.1Very high90.1Very high1 Ų141.8 Ų41.80%0.00425%0.249CC..EExtended strand (participates in β ladder)trans-102.5109.9167.4-59.6-78.7000107.7L197 S198 L199 T200 F311 T330 L331 I334 I349 Y362L197-F351 HydrophobicContact CB-CE2 4.12Å; L197-F351 HydrophobicContact CD1-CE2 4.41Å; L197-F351 HydrophobicContact CD2-CE2 4.32Å; S198-F351 PolarHBondContact O-N 3.35Å; L199-F351 HydrophobicContact CD2-CB 3.78Å; L199-F351 HydrophobicContact CD2-CD2 3.78Å; L199-F351 HydrophobicContact CD2-CG 4.07Å; T200-F351 PolarHBondContact N-O 3.11Å; F311-F351 HydrophobicContact CB-CD1 4.14Å; F311-F351 HydrophobicContact CB-CE1 4.45Å; F311-F351 WeakPolarHBondContact O-CA 3.35Å; T330-F351 HydrophobicContact CG2-CE1 3.78Å; L331-F351 HydrophobicContact CD2-CD2 4.46Å; L331-F351 HydrophobicContact CD2-CE1 4.17Å; L331-F351 HydrophobicContact CD2-CE2 3.61Å; L331-F351 HydrophobicContact CD2-CZ 3.42Å; L331-F351 VanDerWaalsContact CD2-CZ 3.42Å; L331-F351 HydrophobicContact CG-CZ 4.46Å; I334-F351 HydrophobicContact CD1-CE1 3.52Å; I334-F351 HydrophobicContact CD1-CZ 3.38Å; I349-F351 HydrophobicContact CG2-CE2 4.43Å; I349-F351 HydrophobicContact CG2-CZ 4.23Å; F351-Y362 HydrophobicContact CB-CD1 4.24Å; F351-Y362 HydrophobicContact CB-CE1 4.19Å; F351-Y362 HydrophobicContact CD1-CD1 4.19Å; F351-Y362 AromaticContact CD1-CE1 3.51Å; F351-Y362 HydrophobicContact CD1-CE1 3.51Å; F351-Y362 HydrophobicContact CE1-CE1 4.02Å; F351-Y362 HydrophobicContact CG-CD1 4.08Å; F351-Y362 AromaticContact CG-CE1 3.86Å; F351-Y362 HydrophobicContact CG-CE1 3.86Å
352L94.2Very high90.8Very high0 Ų040.4 Ų40.40%024%0.239CC..EExtended strand (participates in β ladder)trans-80.7125.9176.2-58174.4000108.4F183 T200 I207 M210 A310 F311 P313 F354F183-L352 HydrophobicContact CD1-CD2 3.94Å; F183-L352 HydrophobicContact CE1-CD2 3.93Å; T200-L352 HydrophobicContact CG2-CD2 4.2Å; T200-L352 WeakPolarHBondContact O-CA 3.39Å; I207-L352 HydrophobicContact CD1-CD1 3.3Å; M210-L352 HydrophobicContact CE-CD1 4.38Å; M210-L352 HydrophobicContact CE-CD2 3.63Å; M210-L352 HydrophobicContact CE-CG 4.22Å; M210-L352 HydrophobicContact SD-CD1 3.7Å; M210-L352 HydrophobicContact SD-CD2 3.7Å; M210-L352 HydrophobicContact SD-CG 4.13Å; A310-L352 HydrophobicContact CB-CD1 4.19Å; A310-L352 HydrophobicContact CB-CG 4.35Å; F311-L352 PolarHBondContact O-N 3.23Å; P313-L352 WeakPolarHBondContact CD-O 3.5Å; P313-L352 VanDerWaalsContact CG-O 3.24Å; P313-L352 WeakPolarHBondContact CG-O 3.42Å; L352-F354 HydrophobicContact CB-CE1 4.36Å; L352-F354 HydrophobicContact CB-CZ 4.5Å
353L92.7Very high91.6Very high1 Ų137 Ų371%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-131131-178.8-55.8172.5000108.6L199 T200 Q201 S202 I359 Y362L199-L353 HydrophobicContact CB-CD1 4.42Å; L199-L353 HydrophobicContact CD2-CD1 4.14Å; T200-L353 PolarHBondContact O-N 2.72Å; Q201-L353 WeakPolarHBondContact CA-O 3.5Å; S202-L353 PolarHBondContact N-O 3.47Å; L353-I359 HydrophobicContact CB-CD1 4.49Å; L353-I359 HydrophobicContact CB-CG1 3.62Å; L353-I359 HydrophobicContact CD1-CG1 4.06Å; L353-I359 HydrophobicContact CG-CG1 4.49Å; L353-Y362 HydrophobicContact CD1-CD2 4.09Å; L353-Y362 HydrophobicContact CD1-CG 3.9Å; L353-Y362 HydrophobicContact CD2-CD2 3.55Å; L353-Y362 HydrophobicContact CD2-CE2 3.71Å; L353-Y362 HydrophobicContact CD2-CG 4.06Å
354F87.5Confident92.1Very high56 Ų5637.2 Ų37.225%0.24620%0.201CC..  trans-105.3-33.7-175.2-50.4-46.3000112S202 I204 P313 L352S202-F354 WeakPolarHBondContact O-CD1 3.17Å; S202-F354 WeakPolarHBondContact OG-CE1 3.09Å; I204-F354 HydrophobicContact CB-CD1 4.35Å; I204-F354 HydrophobicContact CB-CD2 4.33Å; I204-F354 HydrophobicContact CB-CE1 3.99Å; I204-F354 HydrophobicContact CB-CE2 3.98Å; I204-F354 HydrophobicContact CB-CZ 3.81Å; I204-F354 HydrophobicContact CD1-CD2 4.42Å; I204-F354 HydrophobicContact CD1-CE2 3.76Å; I204-F354 HydrophobicContact CD1-CZ 4.14Å; I204-F354 HydrophobicContact CG1-CE1 4.29Å; I204-F354 HydrophobicContact CG1-CE2 3.78Å; I204-F354 HydrophobicContact CG1-CZ 3.64Å; P313-F354 VanDerWaalsContact CD-CE2 3.45Å; P313-F354 HydrophobicContact CG-CD2 3.63Å; P313-F354 HydrophobicContact CG-CE2 3.68Å; P313-F354 HydrophobicContact CG-CG 4.32Å; P313-F354 HydrophobicContact CG-CZ 4.43Å; L352-F354 HydrophobicContact CB-CE1 4.36Å; L352-F354 HydrophobicContact CB-CZ 4.5Å
355D88.1Confident92.2Very high53 Ų5337.1 Ų37.128%0.28320%0.2SC..SBendtrans-111.1149.5-176.971102.5000113.4K323 E357 S358 I359K323-D355 IonicContact NZ-OD1 3.14Å; K323-D355 PolarHBondContact NZ-OD1 3.3Å; K323-D355 IonicContact NZ-OD2 2.94Å; D355-E357 VanDerWaalsContact C-N 3.3Å; D355-E357 PolarHBondContact O-N 2.77Å; D355-E357 WeakPolarHBondContact OD1-CB 3.46Å; D355-E357 PolarHBondContact OD1-N 3.09Å; D355-S358 PolarHBondContact O-N 3.29Å; D355-S358 PolarHBondContact OD1-N 2.98Å; D355-S358 PolarHBondContact OD1-OG 3.26Å; D355-S358 VanDerWaalsContact OD1-OG 3.07Å; D355-S358 VanDerWaalsContact OD2-CB 3.24Å; D355-S358 WeakPolarHBondContact OD2-CB 3.43Å; D355-S358 PolarHBondContact OD2-OG 2.95Å; D355-I359 WeakPolarHBondContact O-CG1 3.25Å; D355-I359 PolarHBondContact O-N 3.24Å; D355-I359 VanDerWaalsContact O-N 3.08Å
356S86.1Confident92Very high80 Ų8035.7 Ų35.756%0.55919%0.19SC*.Hα-helixtrans-62-32.3-176.9-51.10000113.7I359 G360S356-I359 PolarHBondContact O-N 3.04Å; S356-G360 PolarHBondContact O-N 2.74Å
357E88.6Confident91.7Very high124 Ų12439.1 Ų39.158%0.57922%0.218SC*.Hα-helixtrans-66.2-49.4177.8178.7-169.5-163.500110.6K323 D355 I359 G360 I361K323-E357 HydrophobicContact CD-CG 4.23Å; K323-E357 IonicContact NZ-OE2 3.63Å; K323-E357 PolarHBondContact NZ-OE2 3.46Å; D355-E357 VanDerWaalsContact C-N 3.3Å; D355-E357 PolarHBondContact O-N 2.77Å; D355-E357 WeakPolarHBondContact OD1-CB 3.46Å; D355-E357 PolarHBondContact OD1-N 3.09Å; E357-I359 VanDerWaalsContact C-N 3.3Å; E357-I359 PolarHBondContact O-N 3.25Å; E357-G360 PolarHBondContact O-N 2.99Å; E357-I361 HydrophobicContact CG-CD1 3.99Å; E357-I361 VanDerWaalsContact O-CG1 3.3Å; E357-I361 WeakPolarHBondContact O-CG1 3.44Å; E357-I361 PolarHBondContact O-N 3.44Å
358S90.5Very high91.4Very high7 Ų739.3 Ų39.35%0.04922%0.219CC..Hα-helixtrans-61.1-39.8175.9-58.20000111.4K323 D355 I361 Y362K323-S358 WeakPolarHBondContact CD-OG 3.39Å; K323-S358 WeakPolarHBondContact CE-OG 3.49Å; K323-S358 PolarHBondContact NZ-OG 3.31Å; D355-S358 PolarHBondContact O-N 3.29Å; D355-S358 PolarHBondContact OD1-N 2.98Å; D355-S358 PolarHBondContact OD1-OG 3.26Å; D355-S358 VanDerWaalsContact OD1-OG 3.07Å; D355-S358 VanDerWaalsContact OD2-CB 3.24Å; D355-S358 WeakPolarHBondContact OD2-CB 3.43Å; D355-S358 PolarHBondContact OD2-OG 2.95Å; S358-I361 PolarHBondContact O-N 3.06Å; S358-Y362 WeakPolarHBondContact O-CD2 3.36Å; S358-Y362 PolarHBondContact O-N 2.99Å
359I90.5Very high90.6Very high25 Ų2538.6 Ų38.613%0.12821%0.214CC..Hα-helixtrans-56.9-53.6173.7-69.2164.7000111.1L186 Q201 L353 D355 S356 E357 I361 Y362 V363L186-I359 HydrophobicContact CD1-CB 4.27Å; L186-I359 HydrophobicContact CD1-CD1 3.81Å; L186-I359 HydrophobicContact CD1-CG1 3.82Å; L186-I359 HydrophobicContact CD1-CG2 3.43Å; L186-I359 VanDerWaalsContact CD1-CG2 3.43Å; Q201-I359 HydrophobicContact CG-CD1 4.14Å; L353-I359 HydrophobicContact CB-CD1 4.49Å; L353-I359 HydrophobicContact CB-CG1 3.62Å; L353-I359 HydrophobicContact CD1-CG1 4.06Å; L353-I359 HydrophobicContact CG-CG1 4.49Å; D355-I359 WeakPolarHBondContact O-CG1 3.25Å; D355-I359 PolarHBondContact O-N 3.24Å; D355-I359 VanDerWaalsContact O-N 3.08Å; S356-I359 PolarHBondContact O-N 3.04Å; E357-I359 VanDerWaalsContact C-N 3.3Å; E357-I359 PolarHBondContact O-N 3.25Å; I359-I361 VanDerWaalsContact C-N 3.31Å; I359-I361 PolarHBondContact O-N 3.15Å; I359-Y362 PolarHBondContact O-N 2.96Å; I359-V363 HydrophobicContact CG2-CG2 4.33Å; I359-V363 WeakPolarHBondContact O-CB 3.46Å; I359-V363 VanDerWaalsContact O-CG2 3.26Å; I359-V363 WeakPolarHBondContact O-CG2 3.45Å; I359-V363 PolarHBondContact O-N 3.45Å
360G90.1Very high88.9Confident29 Ų2942.9 Ų42.930%0.29924%0.237SC..Hα-helixtrans-57.7-44.4179.700000112.3S356 E357 V363 Q364S356-G360 PolarHBondContact O-N 2.74Å; E357-G360 PolarHBondContact O-N 2.99Å; G360-V363 PolarHBondContact O-N 3.27Å; G360-Q364 WeakPolarHBondContact O-CB 3.45Å; G360-Q364 VanDerWaalsContact O-CG 3.26Å; G360-Q364 WeakPolarHBondContact O-CG 3.37Å; G360-Q364 PolarHBondContact O-N 2.97Å
361I93.3Very high86.4Confident23 Ų2348.3 Ų48.312%0.11827%0.272CS..Hα-helixtrans-60.7-51.8177.5-70.9169000111.2K323 Q324 A327 E357 S358 I359 V363 Q364 E365K323-I361 HydrophobicContact CB-CD1 3.53Å; K323-I361 HydrophobicContact CD-CD1 4.32Å; Q324-I361 HydrophobicContact CB-CG2 4.27Å; A327-I361 HydrophobicContact CB-CG2 3.67Å; E357-I361 HydrophobicContact CG-CD1 3.99Å; E357-I361 VanDerWaalsContact O-CG1 3.3Å; E357-I361 WeakPolarHBondContact O-CG1 3.44Å; E357-I361 PolarHBondContact O-N 3.44Å; S358-I361 PolarHBondContact O-N 3.06Å; I359-I361 VanDerWaalsContact C-N 3.31Å; I359-I361 PolarHBondContact O-N 3.15Å; I361-V363 VanDerWaalsContact C-N 3.32Å; I361-V363 PolarHBondContact O-N 2.98Å; I361-Q364 PolarHBondContact O-N 3Å; I361-E365 HydrophobicContact CG2-CG 4.38Å; I361-E365 WeakPolarHBondContact O-CG 3.41Å; I361-E365 PolarHBondContact O-N 3.4Å
362Y93.5Very high83.5Confident11 Ų1161.5 Ų61.54%0.04333%0.329CS..Hα-helixtrans-65.3-35.6-178.8-92.2-95.9000112.4L199 A327 L331 F351 L353 S358 I359 E365 M366L199-Y362 HydrophobicContact CD2-CD1 3.91Å; L199-Y362 HydrophobicContact CD2-CG 4.21Å; A327-Y362 HydrophobicContact CB-CD1 4.33Å; A327-Y362 HydrophobicContact CB-CD2 3.75Å; A327-Y362 HydrophobicContact CB-CE1 4.13Å; A327-Y362 HydrophobicContact CB-CE2 3.54Å; A327-Y362 HydrophobicContact CB-CG 4.16Å; L331-Y362 HydrophobicContact CD1-CD1 4.24Å; L331-Y362 HydrophobicContact CG-CD1 4.49Å; L331-Y362 HydrophobicContact CG-CE1 4.46Å; F351-Y362 HydrophobicContact CB-CD1 4.24Å; F351-Y362 HydrophobicContact CB-CE1 4.19Å; F351-Y362 HydrophobicContact CD1-CD1 4.19Å; F351-Y362 AromaticContact CD1-CE1 3.51Å; F351-Y362 HydrophobicContact CD1-CE1 3.51Å; F351-Y362 HydrophobicContact CE1-CE1 4.02Å; F351-Y362 HydrophobicContact CG-CD1 4.08Å; F351-Y362 AromaticContact CG-CE1 3.86Å; F351-Y362 HydrophobicContact CG-CE1 3.86Å; L353-Y362 HydrophobicContact CD1-CD2 4.09Å; L353-Y362 HydrophobicContact CD1-CG 3.9Å; L353-Y362 HydrophobicContact CD2-CD2 3.55Å; L353-Y362 HydrophobicContact CD2-CE2 3.71Å; L353-Y362 HydrophobicContact CD2-CG 4.06Å; S358-Y362 WeakPolarHBondContact O-CD2 3.36Å; S358-Y362 PolarHBondContact O-N 2.99Å; I359-Y362 PolarHBondContact O-N 2.96Å; Y362-E365 PolarHBondContact O-N 3.06Å; Y362-M366 VanDerWaalsContact O-CB 3.23Å; Y362-M366 WeakPolarHBondContact O-CB 3.42Å; Y362-M366 WeakPolarHBondContact O-CG 3.41Å; Y362-M366 PolarHBondContact O-N 2.97Å
363V91.2Very high83Confident64 Ų6464.6 Ų64.639%0.38835%0.345SS..Hα-helixtrans-61.1-46.5172.7169.50000110.5L199 I359 G360 I361 A367L199-V363 HydrophobicContact CD1-CB 4.31Å; L199-V363 HydrophobicContact CD1-CG2 3.54Å; I359-V363 HydrophobicContact CG2-CG2 4.33Å; I359-V363 WeakPolarHBondContact O-CB 3.46Å; I359-V363 VanDerWaalsContact O-CG2 3.26Å; I359-V363 WeakPolarHBondContact O-CG2 3.45Å; I359-V363 PolarHBondContact O-N 3.45Å; G360-V363 PolarHBondContact O-N 3.27Å; I361-V363 VanDerWaalsContact C-N 3.32Å; I361-V363 PolarHBondContact O-N 2.98Å; V363-A367 WeakPolarHBondContact O-CB 3.42Å; V363-A367 PolarHBondContact O-N 2.82Å; V363-A367 VanDerWaalsContact O-N 3.09Å
364Q91.2Very high82.5Confident112 Ų11267.9 Ų67.952%0.52336%0.363SS..Hα-helixtrans-63.8-44.9178.2-72.3173.811.400112.3G360 I361 A367G360-Q364 WeakPolarHBondContact O-CB 3.45Å; G360-Q364 VanDerWaalsContact O-CG 3.26Å; G360-Q364 WeakPolarHBondContact O-CG 3.37Å; G360-Q364 PolarHBondContact O-N 2.97Å; I361-Q364 PolarHBondContact O-N 3Å; Q364-A367 WeakPolarHBondContact O-CB 3.29Å; Q364-A367 PolarHBondContact O-N 2.96Å
365E91.9Very high82.2Confident9 Ų968.6 Ų68.64%0.04237%0.37CS..Hα-helixtrans-70.7-39.2179.8-64-54.214200111.9Q324 A327 L331 I361 Y362 A367 K368 L369Q324-E365 PolarHBondContact NE2-OE1 2.88Å; A327-E365 HydrophobicContact CB-CG 4.21Å; L331-E365 HydrophobicContact CD1-CB 3.49Å; L331-E365 VanDerWaalsContact CD1-CB 3.49Å; I361-E365 HydrophobicContact CG2-CG 4.38Å; I361-E365 WeakPolarHBondContact O-CG 3.41Å; I361-E365 PolarHBondContact O-N 3.4Å; Y362-E365 PolarHBondContact O-N 3.06Å; E365-A367 VanDerWaalsContact C-N 3.26Å; E365-A367 PolarHBondContact O-N 3.05Å; E365-K368 WeakPolarHBondContact O-CB 3.5Å; E365-K368 PolarHBondContact O-N 3.13Å; E365-K368 IonicContact OE1-NZ 2.77Å; E365-K368 PolarHBondContact OE1-NZ 3.28Å; E365-K368 WeakPolarHBondContact OE2-CD 3.43Å; E365-K368 WeakPolarHBondContact OE2-CE 3.49Å; E365-K368 IonicContact OE2-NZ 3.34Å; E365-K368 PolarHBondContact OE2-NZ 3.13Å; E365-L369 PolarHBondContact O-N 3.1Å
366M89.8Confident81.9Confident5 Ų569.5 Ų69.53%0.02538%0.375CS..Hα-helixtrans-63.9-30.2174.4-81.4-169.162.800113.2K189 L197 L199 L331 Y362 K368 L369K189-M366 HydrophobicContact CB-CE 3.4Å; K189-M366 VanDerWaalsContact CB-CE 3.4Å; K189-M366 HydrophobicContact CD-CE 4.45Å; K189-M366 WeakPolarHBondContact CD-O 3.17Å; K189-M366 PolarHBondContact NZ-O 3.29Å; L197-M366 HydrophobicContact CB-CE 3.83Å; L199-M366 HydrophobicContact CD1-SD 3.77Å; L199-M366 HydrophobicContact CD2-CG 4.32Å; L199-M366 HydrophobicContact CD2-SD 3.21Å; L199-M366 WeakPolarHBondContact CD2-SD 3.4Å; L199-M366 HydrophobicContact CG-SD 3.3Å; L199-M366 WeakPolarHBondContact CG-SD 3.4Å; L331-M366 HydrophobicContact CD1-CG 3.82Å; L331-M366 HydrophobicContact CD2-CG 3.78Å; L331-M366 HydrophobicContact CG-CG 4.5Å; Y362-M366 VanDerWaalsContact O-CB 3.23Å; Y362-M366 WeakPolarHBondContact O-CB 3.42Å; Y362-M366 WeakPolarHBondContact O-CG 3.41Å; Y362-M366 PolarHBondContact O-N 2.97Å; M366-K368 PolarHBondContact O-N 3.07Å; M366-L369 HydrophobicContact CG-CD1 4.35Å; M366-L369 WeakPolarHBondContact O-CB 3.43Å; M366-L369 PolarHBondContact O-N 3.05Å
367A88.1Confident81.6Confident71 Ų7168.8 Ų68.859%0.58736%0.363SS*.Hα-helixtrans-64.8-22.3173.800000112.8V363 Q364 E365V363-A367 WeakPolarHBondContact O-CB 3.42Å; V363-A367 PolarHBondContact O-N 2.82Å; V363-A367 VanDerWaalsContact O-N 3.09Å; Q364-A367 WeakPolarHBondContact O-CB 3.29Å; Q364-A367 PolarHBondContact O-N 2.96Å; E365-A367 VanDerWaalsContact C-N 3.26Å; E365-A367 PolarHBondContact O-N 3.05Å
368K87.8Confident81.1Confident109 Ų10965.1 Ų65.147%0.47435%0.349SS..Hα-helixtrans-86.5-21.1178.3-56.6175.1-163.3168.60113.9E365 M366E365-K368 WeakPolarHBondContact O-CB 3.5Å; E365-K368 PolarHBondContact O-N 3.13Å; E365-K368 IonicContact OE1-NZ 2.77Å; E365-K368 PolarHBondContact OE1-NZ 3.28Å; E365-K368 WeakPolarHBondContact OE2-CD 3.43Å; E365-K368 WeakPolarHBondContact OE2-CE 3.49Å; E365-K368 IonicContact OE2-NZ 3.34Å; E365-K368 PolarHBondContact OE2-NZ 3.13Å; M366-K368 PolarHBondContact O-N 3.07Å
369L77.9Confident80.5Confident23 Ų2369.3 Ų69.312%0.1237%0.37CS..THydrogen-bonded Turntrans-57.8140.9164.3-59.3174.4000106.5K189 L197 L331 E365 M366K189-L369 HydrophobicContact CD-CB 3.99Å; K189-L369 WeakPolarHBondContact CE-O 3.41Å; K189-L369 VanDerWaalsContact NZ-C 3.33Å; K189-L369 PolarHBondContact NZ-O 3.2Å; L197-L369 HydrophobicContact CD1-CD1 3.78Å; L331-L369 HydrophobicContact CB-CD1 4.2Å; L331-L369 HydrophobicContact CB-CD2 4.42Å; L331-L369 HydrophobicContact CD2-CD1 4Å; L331-L369 HydrophobicContact CG-CD1 4.5Å; E365-L369 PolarHBondContact O-N 3.1Å; M366-L369 HydrophobicContact CG-CD1 4.35Å; M366-L369 WeakPolarHBondContact O-CB 3.43Å; M366-L369 PolarHBondContact O-N 3.05Å
370D61.2Low79.7Confident90 Ų9072.7 Ų72.748%0.48139%0.389SS..THydrogen-bonded Turntrans63.249.8179.8-48.9-28.6000118.3K189K189-D370 VanDerWaalsContact CE-CG 3.5Å; K189-D370 WeakPolarHBondContact CE-OD2 3.32Å; K189-D370 IonicContact NZ-OD2 2.72Å
371T44.8Very low78.8Confident122 Ų12276.3 Ų76.375%0.74840%0.396SS*.  trans-114.857.9148.648.80000111.6
372K35.5Very low77.5Confident277 Ų27781.2 Ų81.2100%1.20442%0.421SS*.  trans-133.30160.4-84.6-170.4177.8176.60110.6

Retrieved 372 of 372 residues in 191.3 ms (Link to these results)

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