A0A077Z228_TRITR Loading...

Rac GTPase activating protein 1

AlphaFold DB , UniProt , Accession A0A077Z228, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 462 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
1M86.2Confident92.5Very high182 Ų182107.7 Ų107.790%0.89759%0.585SS**  0-50.30-74.7-59.3-75.300111.6E3 A4 K5M1-E3 PolarHBondContact O-N 3.27Å; M1-A4 PolarHBondContact O-N 3.39Å; M1-K5 PolarHBondContact O-N 3.48Å; M1-K5 VanDerWaalsContact O-N 3.12Å
2D90.6Very high92.8Very high125 Ų125107.1 Ų107.167%0.66859%0.587SS**Hα-helixtrans-65.4-37.4-178-60.6-37.4000113.6A4 K5 S6D2-A4 VanDerWaalsContact C-N 3.34Å; D2-A4 PolarHBondContact O-N 3.14Å; D2-K5 PolarHBondContact O-N 3.28Å; D2-S6 PolarHBondContact O-N 3.28Å
3E91.1Very high92.9Very high161 Ų161109.2 Ų109.275%0.75259%0.59SS**Hα-helixtrans-61.3-39.9171.7-68.8177.8171.600112.7M1 K5 S6 V7M1-E3 PolarHBondContact O-N 3.27Å; E3-K5 VanDerWaalsContact C-N 3.33Å; E3-K5 PolarHBondContact O-N 3.28Å; E3-S6 PolarHBondContact O-N 3.36Å; E3-S6 PolarHBondContact O-OG 3.35Å; E3-V7 VanDerWaalsContact O-CG2 3.28Å; E3-V7 WeakPolarHBondContact O-CG2 3.3Å; E3-V7 PolarHBondContact O-N 3.18Å
4A92.4Very high93Very high55 Ų55108.6 Ų108.646%0.45559%0.585SS.*Hα-helixtrans-65.8-37.3176.800000111.6M1 D2 L8M1-A4 PolarHBondContact O-N 3.39Å; D2-A4 VanDerWaalsContact C-N 3.34Å; D2-A4 PolarHBondContact O-N 3.14Å; A4-L8 WeakPolarHBondContact O-CB 3.47Å; A4-L8 WeakPolarHBondContact O-CG 3.5Å; A4-L8 PolarHBondContact O-N 3.23Å
5K92.6Very high93.2Very high126 Ų126106.9 Ų106.955%0.54858%0.579SS.*Hα-helixtrans-65.9-42.3174.3-73179.8-179.9172.70112M1 D2 E3 L8 Q9M1-K5 PolarHBondContact O-N 3.48Å; M1-K5 VanDerWaalsContact O-N 3.12Å; D2-K5 PolarHBondContact O-N 3.28Å; E3-K5 VanDerWaalsContact C-N 3.33Å; E3-K5 PolarHBondContact O-N 3.28Å; K5-L8 PolarHBondContact O-N 3Å; K5-Q9 WeakPolarHBondContact O-CG 3.38Å; K5-Q9 PolarHBondContact O-N 3.49Å
6S92.9Very high93.2Very high57 Ų57103.7 Ų103.740%0.39957%0.572SS.*Hα-helixtrans-66-41.6178.769.40000111.5D2 E3 L8 Q9 V10D2-S6 PolarHBondContact O-N 3.28Å; E3-S6 PolarHBondContact O-N 3.36Å; E3-S6 PolarHBondContact O-OG 3.35Å; S6-L8 PolarHBondContact O-N 3.29Å; S6-Q9 PolarHBondContact O-N 3.1Å; S6-V10 WeakPolarHBondContact O-CG2 3.5Å; S6-V10 PolarHBondContact O-N 3.36Å
7V94.3Very high93.2Very high99 Ų99108.2 Ų108.260%0.658%0.579SS**Hα-helixtrans-61.1-44.4173.9172.70000111.3E3 V10 A11E3-V7 VanDerWaalsContact O-CG2 3.28Å; E3-V7 WeakPolarHBondContact O-CG2 3.3Å; E3-V7 PolarHBondContact O-N 3.18Å; V7-V10 PolarHBondContact O-N 3.23Å; V7-A11 WeakPolarHBondContact O-CB 3.38Å; V7-A11 PolarHBondContact O-N 3.02Å
8L94.5Very high93.3Very high118 Ų118108.2 Ų108.262%0.61858%0.578SS**Hα-helixtrans-63-40.8176-76.3170.2000112.5A4 K5 S6 A11 V12A4-L8 WeakPolarHBondContact O-CB 3.47Å; A4-L8 WeakPolarHBondContact O-CG 3.5Å; A4-L8 PolarHBondContact O-N 3.23Å; K5-L8 PolarHBondContact O-N 3Å; S6-L8 PolarHBondContact O-N 3.29Å; L8-A11 PolarHBondContact O-N 3.17Å; L8-V12 WeakPolarHBondContact O-CG2 3.39Å; L8-V12 PolarHBondContact O-N 3.42Å
9Q93.7Very high93.3Very high132 Ų132107.9 Ų107.962%0.61758%0.577SS**Hα-helixtrans-62.1-43.1175.5-79.4179.6-25.500112.1K5 S6 A11 V12 H13K5-Q9 WeakPolarHBondContact O-CG 3.38Å; K5-Q9 PolarHBondContact O-N 3.49Å; S6-Q9 PolarHBondContact O-N 3.1Å; Q9-A11 VanDerWaalsContact C-N 3.35Å; Q9-V12 PolarHBondContact O-N 3.39Å; Q9-H13 PolarHBondContact O-CD2 3.1Å; Q9-H13 VanDerWaalsContact O-CD2 3.28Å; Q9-H13 PolarHBondContact O-N 3.47Å
10V94.5Very high93.4Very high87 Ų87108 Ų10853%0.52758%0.577SS.*Hα-helixtrans-62.4-43.5175.1173.40000110.7S6 V7 V12 H13 L14S6-V10 WeakPolarHBondContact O-CG2 3.5Å; S6-V10 PolarHBondContact O-N 3.36Å; V7-V10 PolarHBondContact O-N 3.23Å; V10-V12 PolarHBondContact O-N 3.03Å; V10-H13 PolarHBondContact O-N 3.45Å; V10-L14 HydrophobicContact CG1-CD1 4.02Å; V10-L14 HydrophobicContact CG1-CG 4.41Å; V10-L14 WeakPolarHBondContact O-CG 3.38Å; V10-L14 PolarHBondContact O-N 3.01Å
11A95.1Very high93.3Very high43 Ų43106.8 Ų106.836%0.35557%0.569SS.*Hα-helixtrans-60.5-45.1177.200000112.3V7 L8 Q9 H13 L14 V15V7-A11 WeakPolarHBondContact O-CB 3.38Å; V7-A11 PolarHBondContact O-N 3.02Å; L8-A11 PolarHBondContact O-N 3.17Å; Q9-A11 VanDerWaalsContact C-N 3.35Å; A11-H13 PolarHBondContact O-N 3.12Å; A11-L14 PolarHBondContact O-N 3.14Å; A11-V15 WeakPolarHBondContact O-CG2 3.47Å; A11-V15 PolarHBondContact O-N 3.34Å
12V95.5Very high93.6Very high100 Ų100101.4 Ų101.461%0.60655%0.547SS*.Hα-helixtrans-60.7-43.5175.8171.20000111.4L8 Q9 V10 L14 V15 A16L8-V12 WeakPolarHBondContact O-CG2 3.39Å; L8-V12 PolarHBondContact O-N 3.42Å; Q9-V12 PolarHBondContact O-N 3.39Å; V10-V12 PolarHBondContact O-N 3.03Å; V12-L14 VanDerWaalsContact C-N 3.34Å; V12-L14 PolarHBondContact O-N 3.49Å; V12-V15 PolarHBondContact O-N 3Å; V12-A16 WeakPolarHBondContact O-CB 3.46Å; V12-A16 PolarHBondContact O-N 3.37Å
13H93.7Very high93.7Very high135 Ų13598 Ų9863%0.62554%0.537SS*.Hα-helixtrans-63.9-37.2175.9-86.4-65000113Q9 V10 A11 R17Q9-H13 PolarHBondContact O-CD2 3.1Å; Q9-H13 VanDerWaalsContact O-CD2 3.28Å; Q9-H13 PolarHBondContact O-N 3.47Å; V10-H13 PolarHBondContact O-N 3.45Å; A11-H13 PolarHBondContact O-N 3.12Å; H13-R17 WeakPolarHBondContact O-CG 3.44Å; H13-R17 PolarHBondContact O-N 3.45Å; H13-R17 VanDerWaalsContact O-N 3.07Å
14L95.1Very high93.6Very high101 Ų10193.8 Ų93.853%0.52952%0.521SS..Hα-helixtrans-67.5-44176.5-73.7171.3000111.7V10 A11 V12 R17 L18V10-L14 HydrophobicContact CG1-CD1 4.02Å; V10-L14 HydrophobicContact CG1-CG 4.41Å; V10-L14 WeakPolarHBondContact O-CG 3.38Å; V10-L14 PolarHBondContact O-N 3.01Å; A11-L14 PolarHBondContact O-N 3.14Å; V12-L14 VanDerWaalsContact C-N 3.34Å; V12-L14 PolarHBondContact O-N 3.49Å; L14-R17 PolarHBondContact O-N 2.99Å; L14-L18 WeakPolarHBondContact O-CG 3.39Å; L14-L18 PolarHBondContact O-N 3.14Å
15V95.7Very high93.5Very high82 Ų8298.1 Ų98.150%0.49753%0.53SS..Hα-helixtrans-59.8-49175.2173.10000110.6A11 V12 R17 L18 D19A11-V15 WeakPolarHBondContact O-CG2 3.47Å; A11-V15 PolarHBondContact O-N 3.34Å; V12-V15 PolarHBondContact O-N 3Å; V15-R17 VanDerWaalsContact C-N 3.26Å; V15-R17 PolarHBondContact O-N 3.16Å; V15-L18 WeakPolarHBondContact O-CB 3.45Å; V15-L18 PolarHBondContact O-N 2.93Å; V15-D19 PolarHBondContact O-N 3.37Å
16A93.7Very high93.5Very high56 Ų5698.3 Ų98.346%0.46353%0.533SS..Hα-helixtrans-60.4-33.6177.800000113.2V12 N20V12-A16 WeakPolarHBondContact O-CB 3.46Å; V12-A16 PolarHBondContact O-N 3.37Å; A16-N20 WeakPolarHBondContact O-CB 3.09Å; A16-N20 PolarHBondContact O-N 2.95Å; A16-N20 VanDerWaalsContact O-N 3.14Å
17R93.7Very high93.4Very high181 Ų181102.5 Ų102.568%0.68354%0.544SS*.Hα-helixtrans-70.4-39.9173.6-76.4-178.180.5159.64.8112.3H13 L14 V15 N20 I21H13-R17 WeakPolarHBondContact O-CG 3.44Å; H13-R17 PolarHBondContact O-N 3.45Å; H13-R17 VanDerWaalsContact O-N 3.07Å; L14-R17 PolarHBondContact O-N 2.99Å; V15-R17 VanDerWaalsContact C-N 3.26Å; V15-R17 PolarHBondContact O-N 3.16Å; R17-N20 PolarHBondContact O-N 2.79Å; R17-I21 WeakPolarHBondContact O-CB 3.46Å; R17-I21 VanDerWaalsContact O-CG1 3.24Å; R17-I21 WeakPolarHBondContact O-CG1 3.46Å; R17-I21 PolarHBondContact O-N 2.74Å
18L94.3Very high93.2Very high107 Ų107102.5 Ų102.556%0.5654%0.541SS*.Hα-helixtrans-64.4-42175.7-73.8170.9000111.5L14 V15 N20 I21 T22L14-L18 WeakPolarHBondContact O-CG 3.39Å; L14-L18 PolarHBondContact O-N 3.14Å; V15-L18 WeakPolarHBondContact O-CB 3.45Å; V15-L18 PolarHBondContact O-N 2.93Å; L18-N20 PolarHBondContact O-N 3.4Å; L18-I21 PolarHBondContact O-N 3.2Å; L18-T22 WeakPolarHBondContact O-CB 3.46Å; L18-T22 PolarHBondContact O-N 3.13Å; L18-T22 PolarHBondContact O-OG1 2.93Å
19D94.1Very high93Very high104 Ų104102.1 Ų102.156%0.55654%0.539SS*.Hα-helixtrans-62-43.6176.2-69.3-22.3000111.3V15 T22 A23V15-D19 PolarHBondContact O-N 3.37Å; D19-T22 PolarHBondContact O-N 3.41Å; D19-A23 WeakPolarHBondContact O-CB 3.49Å; D19-A23 PolarHBondContact O-N 3.19Å
20N93.5Very high92.9Very high108 Ų108100.5 Ų100.558%0.57853%0.534SS*.Hα-helixtrans-64.4-44.1176.9-168.42.3000111.9A16 R17 L18 T22 A23 V24A16-N20 WeakPolarHBondContact O-CB 3.09Å; A16-N20 PolarHBondContact O-N 2.95Å; A16-N20 VanDerWaalsContact O-N 3.14Å; R17-N20 PolarHBondContact O-N 2.79Å; L18-N20 PolarHBondContact O-N 3.4Å; N20-T22 VanDerWaalsContact C-N 3.33Å; N20-T22 PolarHBondContact O-N 3.05Å; N20-A23 PolarHBondContact O-N 3.03Å; N20-V24 WeakPolarHBondContact O-CG2 3.35Å; N20-V24 PolarHBondContact O-N 3.44Å
21I91.8Very high92.7Very high83 Ų8399.2 Ų99.243%0.42653%0.529SS..Hα-helixtrans-60.2-45.1175.5-71.7167.1000110.4R17 L18 V24 F25R17-I21 WeakPolarHBondContact O-CB 3.46Å; R17-I21 VanDerWaalsContact O-CG1 3.24Å; R17-I21 WeakPolarHBondContact O-CG1 3.46Å; R17-I21 PolarHBondContact O-N 2.74Å; L18-I21 PolarHBondContact O-N 3.2Å; I21-V24 PolarHBondContact O-N 3.01Å; I21-F25 HydrophobicContact CG2-CD2 3.51Å; I21-F25 HydrophobicContact CG2-CE2 3.48Å; I21-F25 VanDerWaalsContact CG2-CE2 3.48Å; I21-F25 VanDerWaalsContact O-CD2 3.23Å; I21-F25 WeakPolarHBondContact O-CD2 3.47Å; I21-F25 PolarHBondContact O-N 3.49Å
22T92.9Very high92.5Very high70 Ų70100.3 Ų100.343%0.42953%0.534SS..Hα-helixtrans-62.2-45.4179.2-540000111.1L18 D19 N20 V24 F25 E26L18-T22 WeakPolarHBondContact O-CB 3.46Å; L18-T22 PolarHBondContact O-N 3.13Å; L18-T22 PolarHBondContact O-OG1 2.93Å; D19-T22 PolarHBondContact O-N 3.41Å; N20-T22 VanDerWaalsContact C-N 3.33Å; N20-T22 PolarHBondContact O-N 3.05Å; T22-V24 PolarHBondContact O-N 3.48Å; T22-F25 PolarHBondContact O-N 3.23Å; T22-E26 HydrophobicContact CG2-CG 4.47Å; T22-E26 WeakPolarHBondContact O-CB 3.25Å; T22-E26 WeakPolarHBondContact O-CG 3.08Å; T22-E26 PolarHBondContact O-N 3.18Å
23A91.7Very high92.3Very high54 Ų54100 Ų10045%0.44653%0.528SS..Hα-helixtrans-62.5-38.9177.300000112.9D19 N20 K27D19-A23 WeakPolarHBondContact O-CB 3.49Å; D19-A23 PolarHBondContact O-N 3.19Å; N20-A23 PolarHBondContact O-N 3.03Å; A23-K27 WeakPolarHBondContact O-CB 3.49Å; A23-K27 PolarHBondContact O-N 3.24Å
24V89.4Confident92.2Very high71 Ų7198.4 Ų98.443%0.4352%0.52SS..Hα-helixtrans-65.3-46.7174.3172.40000110.6N20 I21 T22 E26 K27 D28N20-V24 WeakPolarHBondContact O-CG2 3.35Å; N20-V24 PolarHBondContact O-N 3.44Å; I21-V24 PolarHBondContact O-N 3.01Å; T22-V24 PolarHBondContact O-N 3.48Å; V24-E26 PolarHBondContact O-N 3.33Å; V24-K27 PolarHBondContact O-N 3.37Å; V24-D28 PolarHBondContact O-N 2.89Å
25F91.2Very high92.1Very high146 Ų146100.2 Ų100.264%0.6452%0.524SS*.Hα-helixtrans-61.6-42.9176.8-86.7-67.1000112.4I21 T22 K27 D28 L29I21-F25 HydrophobicContact CG2-CD2 3.51Å; I21-F25 HydrophobicContact CG2-CE2 3.48Å; I21-F25 VanDerWaalsContact CG2-CE2 3.48Å; I21-F25 VanDerWaalsContact O-CD2 3.23Å; I21-F25 WeakPolarHBondContact O-CD2 3.47Å; I21-F25 PolarHBondContact O-N 3.49Å; T22-F25 PolarHBondContact O-N 3.23Å; F25-K27 VanDerWaalsContact C-N 3.34Å; F25-K27 PolarHBondContact O-N 2.91Å; F25-D28 PolarHBondContact O-N 3.49Å; F25-L29 WeakPolarHBondContact O-CB 3.14Å; F25-L29 PolarHBondContact O-N 2.92Å
26E91.8Very high91.9Very high130 Ų13099.8 Ų99.861%0.60752%0.522SS*.Hα-helixtrans-60.8-43.5176.4-78.1-176.5171.200111.6T22 V24 L30T22-E26 HydrophobicContact CG2-CG 4.47Å; T22-E26 WeakPolarHBondContact O-CB 3.25Å; T22-E26 WeakPolarHBondContact O-CG 3.08Å; T22-E26 PolarHBondContact O-N 3.18Å; V24-E26 PolarHBondContact O-N 3.33Å; E26-L30 WeakPolarHBondContact O-CB 3.32Å; E26-L30 PolarHBondContact O-N 3.45Å
27K90.6Very high91.8Very high145 Ų145105.1 Ų105.163%0.6353%0.53SS*.Hα-helixtrans-64.3-47178.1-175.8-177.1177.4-176.50112.2A23 V24 F25 S31A23-K27 WeakPolarHBondContact O-CB 3.49Å; A23-K27 PolarHBondContact O-N 3.24Å; V24-K27 PolarHBondContact O-N 3.37Å; F25-K27 VanDerWaalsContact C-N 3.34Å; F25-K27 PolarHBondContact O-N 2.91Å; K27-S31 WeakPolarHBondContact O-CB 3.32Å; K27-S31 PolarHBondContact O-N 2.66Å; K27-S31 PolarHBondContact O-OG 2.96Å
28D90.1Very high91.7Very high99 Ų99101.6 Ų101.653%0.52953%0.525SS..Hα-helixtrans-69.2-41.5-178.8-73.2-11000111.2V24 F25 S31 S32V24-D28 PolarHBondContact O-N 2.89Å; F25-D28 PolarHBondContact O-N 3.49Å; D28-S31 PolarHBondContact O-N 2.66Å; D28-S32 WeakPolarHBondContact O-CB 3.32Å; D28-S32 PolarHBondContact O-N 3.01Å
29L91.9Very high91.5Very high110 Ų110100 Ų10058%0.57652%0.52SS*.Hα-helixtrans-64.5-44.9176.3-174.765.7000111.3F25 S31 S32 I33F25-L29 WeakPolarHBondContact O-CB 3.14Å; F25-L29 PolarHBondContact O-N 2.92Å; L29-S31 VanDerWaalsContact C-N 3.32Å; L29-S31 PolarHBondContact O-N 2.69Å; L29-S32 PolarHBondContact O-N 3.41Å; L29-I33 HydrophobicContact CD1-CD1 4.48Å; L29-I33 HydrophobicContact CG-CD1 4Å; L29-I33 VanDerWaalsContact O-CG1 3.29Å; L29-I33 WeakPolarHBondContact O-CG1 3.16Å; L29-I33 PolarHBondContact O-N 3.34Å
30L91.6Very high91.5Very high98 Ų9899 Ų9951%0.51352%0.517SS..Hα-helixtrans-61.9-41.4176.9-175.165.7000111.4E26 S32 I33 Q34E26-L30 WeakPolarHBondContact O-CB 3.32Å; E26-L30 PolarHBondContact O-N 3.45Å; L30-S32 VanDerWaalsContact C-N 3.34Å; L30-S32 PolarHBondContact O-N 3.13Å; L30-I33 PolarHBondContact O-N 3.34Å; L30-Q34 WeakPolarHBondContact O-CB 3.35Å; L30-Q34 VanDerWaalsContact O-CG 3.31Å; L30-Q34 WeakPolarHBondContact O-CG 3.46Å; L30-Q34 PolarHBondContact O-N 2.96Å
31S88.4Confident91.4Very high60 Ų6099.9 Ų99.942%0.4252%0.517SS..Hα-helixtrans-62.1-42.1175.8-580000111.5K27 D28 L29 Q34 F35K27-S31 WeakPolarHBondContact O-CB 3.32Å; K27-S31 PolarHBondContact O-N 2.66Å; K27-S31 PolarHBondContact O-OG 2.96Å; D28-S31 PolarHBondContact O-N 2.66Å; L29-S31 VanDerWaalsContact C-N 3.32Å; L29-S31 PolarHBondContact O-N 2.69Å; S31-Q34 PolarHBondContact O-N 2.95Å; S31-F35 WeakPolarHBondContact O-CB 3.38Å; S31-F35 PolarHBondContact O-N 2.91Å
32S91.4Very high91.3Very high67 Ų67105.6 Ų105.647%0.46953%0.534SS..Hα-helixtrans-66.1-40.4176.2-171.70000112.8D28 L29 L30 F35 T36D28-S32 WeakPolarHBondContact O-CB 3.32Å; D28-S32 PolarHBondContact O-N 3.01Å; L29-S32 PolarHBondContact O-N 3.41Å; L30-S32 VanDerWaalsContact C-N 3.34Å; L30-S32 PolarHBondContact O-N 3.13Å; S32-F35 PolarHBondContact O-N 3.09Å; S32-T36 WeakPolarHBondContact O-CB 3.5Å; S32-T36 PolarHBondContact O-N 3.35Å; S32-T36 PolarHBondContact O-OG1 2.76Å
33I92.6Very high91.2Very high92 Ų92111.4 Ų111.447%0.47255%0.548SS..Hα-helixtrans-63.5-45.2174.5-70.1167.2000110.6L29 L30 T36 R37L29-I33 HydrophobicContact CD1-CD1 4.48Å; L29-I33 HydrophobicContact CG-CD1 4Å; L29-I33 VanDerWaalsContact O-CG1 3.29Å; L29-I33 WeakPolarHBondContact O-CG1 3.16Å; L29-I33 PolarHBondContact O-N 3.34Å; L30-I33 PolarHBondContact O-N 3.34Å; I33-T36 PolarHBondContact O-N 3.29Å; I33-R37 WeakPolarHBondContact O-CB 3.44Å; I33-R37 PolarHBondContact O-N 3.46Å
34Q90.8Very high91.2Very high102 Ų102112.2 Ų112.248%0.47755%0.545SS..Hα-helixtrans-62.6-43.2177.2-74.7177.6-3.700111.9L30 S31 R37 N38L30-Q34 WeakPolarHBondContact O-CB 3.35Å; L30-Q34 VanDerWaalsContact O-CG 3.31Å; L30-Q34 WeakPolarHBondContact O-CG 3.46Å; L30-Q34 PolarHBondContact O-N 2.96Å; S31-Q34 PolarHBondContact O-N 2.95Å; Q34-R37 PolarHBondContact O-N 3.26Å; Q34-N38 VanDerWaalsContact O-CG 3.22Å; Q34-N38 PolarHBondContact O-N 2.81Å; Q34-N38 PolarHBondContact O-ND2 3.26Å
35F92Very high91.2Very high139 Ų139111 Ų11161%0.6154%0.542SS*.Hα-helixtrans-58.2-49.1173.7176.1-98.1000111.4S31 S32 R37 N38 V39S31-F35 WeakPolarHBondContact O-CB 3.38Å; S31-F35 PolarHBondContact O-N 2.91Å; S32-F35 PolarHBondContact O-N 3.09Å; F35-R37 VanDerWaalsContact C-N 3.33Å; F35-R37 PolarHBondContact O-N 3.31Å; F35-N38 WeakPolarHBondContact O-CB 3.17Å; F35-N38 PolarHBondContact O-N 3.12Å; F35-N38 VanDerWaalsContact O-N 3.16Å; F35-V39 HydrophobicContact CD1-CG2 4.26Å; F35-V39 HydrophobicContact CE1-CG2 3.82Å; F35-V39 HydrophobicContact CE2-CG2 4.25Å; F35-V39 HydrophobicContact CZ-CG2 3.81Å; F35-V39 WeakPolarHBondContact O-CG2 3.49Å; F35-V39 PolarHBondContact O-N 2.62Å
36T92.6Very high91.1Very high74 Ų74106.4 Ų106.445%0.45453%0.528SS..Hα-helixtrans-60.1-42.9178.8-54.80000111.5S32 I33 N38 V39 V40S32-T36 WeakPolarHBondContact O-CB 3.5Å; S32-T36 PolarHBondContact O-N 3.35Å; S32-T36 PolarHBondContact O-OG1 2.76Å; I33-T36 PolarHBondContact O-N 3.29Å; T36-N38 VanDerWaalsContact C-N 3.34Å; T36-N38 PolarHBondContact O-N 3.23Å; T36-V39 PolarHBondContact O-N 3.48Å; T36-V40 WeakPolarHBondContact O-CG2 3.29Å; T36-V40 PolarHBondContact O-N 3.35Å
37R92.4Very high91.1Very high167 Ų167107.1 Ų107.163%0.6353%0.526SS*.Hα-helixtrans-59.1-43.6175.3-169.8-176.3-143.5149.56.5112.1I33 Q34 F35 V40 H41I33-R37 WeakPolarHBondContact O-CB 3.44Å; I33-R37 PolarHBondContact O-N 3.46Å; Q34-R37 PolarHBondContact O-N 3.26Å; F35-R37 VanDerWaalsContact C-N 3.33Å; F35-R37 PolarHBondContact O-N 3.31Å; R37-V40 PolarHBondContact O-N 2.85Å; R37-H41 PolarHBondContact O-N 2.87Å
38N90.7Very high91.2Very high108 Ų108105.9 Ų105.958%0.57852%0.521SS*.Hα-helixtrans-65.5-40.6178.4-69.3-16.7000111.8Q34 F35 T36 H41 R42Q34-N38 VanDerWaalsContact O-CG 3.22Å; Q34-N38 PolarHBondContact O-N 2.81Å; Q34-N38 PolarHBondContact O-ND2 3.26Å; F35-N38 WeakPolarHBondContact O-CB 3.17Å; F35-N38 PolarHBondContact O-N 3.12Å; F35-N38 VanDerWaalsContact O-N 3.16Å; T36-N38 VanDerWaalsContact C-N 3.34Å; T36-N38 PolarHBondContact O-N 3.23Å; N38-H41 PolarHBondContact O-N 2.83Å; N38-R42 WeakPolarHBondContact O-CB 3.43Å; N38-R42 PolarHBondContact O-N 3.06Å
39V90.6Very high91.2Very high74 Ų74107.3 Ų107.345%0.44852%0.524SS..Hα-helixtrans-61.4-47174.7172.50000110.8F35 T36 R42 W43F35-V39 HydrophobicContact CD1-CG2 4.26Å; F35-V39 HydrophobicContact CE1-CG2 3.82Å; F35-V39 HydrophobicContact CE2-CG2 4.25Å; F35-V39 HydrophobicContact CZ-CG2 3.81Å; F35-V39 WeakPolarHBondContact O-CG2 3.49Å; F35-V39 PolarHBondContact O-N 2.62Å; T36-V39 PolarHBondContact O-N 3.48Å; V39-R42 PolarHBondContact O-N 2.99Å; V39-W43 WeakPolarHBondContact O-CB 3.44Å; V39-W43 PolarHBondContact O-N 3.05Å
40V93.2Very high91.1Very high82 Ų82106.4 Ų106.450%0.49752%0.52SS..Hα-helixtrans-62.2-44.7178172.80000111.5T36 R37 R42 W43 D44T36-V40 WeakPolarHBondContact O-CG2 3.29Å; T36-V40 PolarHBondContact O-N 3.35Å; R37-V40 PolarHBondContact O-N 2.85Å; V40-R42 PolarHBondContact O-N 2.93Å; V40-W43 PolarHBondContact O-N 3.43Å; V40-D44 PolarHBondContact O-N 2.9Å
41H91.9Very high91.2Very high126 Ų126107.7 Ų107.758%0.58352%0.523SS*.Hα-helixtrans-60.5-42.8176.7-106.5-74000112.7R37 N38 W43 D44 A45R37-H41 PolarHBondContact O-N 2.87Å; N38-H41 PolarHBondContact O-N 2.83Å; H41-W43 VanDerWaalsContact C-N 3.31Å; H41-D44 PolarHBondContact O-N 3.44Å; H41-A45 PolarHBondContact O-N 3Å
42R88.9Confident91.4Very high204 Ų204107.5 Ų107.577%0.7753%0.526SS*.Hα-helixtrans-67.9-33.7177.9-174.5165.7164.1170.5-6.2111.7N38 V39 V40 S46N38-R42 WeakPolarHBondContact O-CB 3.43Å; N38-R42 PolarHBondContact O-N 3.06Å; V39-R42 PolarHBondContact O-N 2.99Å; V40-R42 PolarHBondContact O-N 2.93Å; R42-S46 WeakPolarHBondContact O-CB 3.45Å; R42-S46 PolarHBondContact O-N 2.85Å
43W91.6Very high91.4Very high192 Ų192109.1 Ų109.173%0.72753%0.529SS*.Hα-helixtrans-68.6-42174.4-16825.7000112.3V39 V40 H41 S46 Y47V39-W43 WeakPolarHBondContact O-CB 3.44Å; V39-W43 PolarHBondContact O-N 3.05Å; V40-W43 PolarHBondContact O-N 3.43Å; H41-W43 VanDerWaalsContact C-N 3.31Å; W43-S46 PolarHBondContact O-N 3.39Å; W43-Y47 WeakPolarHBondContact O-CB 3.42Å; W43-Y47 PolarHBondContact O-N 3.1Å
44D92.2Very high91.4Very high71 Ų71108.3 Ų108.338%0.3853%0.531SS..Hα-helixtrans-62.6-42.4174.5-178.963.6000112.3V40 H41 Y47 K48V40-D44 PolarHBondContact O-N 2.9Å; H41-D44 PolarHBondContact O-N 3.44Å; D44-Y47 PolarHBondContact O-N 3.28Å; D44-K48 WeakPolarHBondContact O-CG 3.36Å; D44-K48 PolarHBondContact O-N 3.42Å; D44-K48 IonicContact OD1-NZ 3.97Å; D44-K48 VanDerWaalsContact OD2-CE 3.31Å; D44-K48 WeakPolarHBondContact OD2-CE 3.27Å; D44-K48 IonicContact OD2-NZ 2.69Å; D44-K48 PolarHBondContact OD2-NZ 3.4Å
45A89.4Confident91.4Very high45 Ų45107.1 Ų107.137%0.37253%0.534SS..Hα-helixtrans-60.2-48.3174.200000111.6H41 Y47 K48 E49H41-A45 PolarHBondContact O-N 3Å; A45-Y47 VanDerWaalsContact C-N 3.3Å; A45-Y47 PolarHBondContact O-N 3.1Å; A45-K48 PolarHBondContact O-N 3.02Å; A45-E49 PolarHBondContact O-N 3.48Å
46S88.7Confident91.5Very high50 Ų50104.4 Ų104.435%0.3553%0.525SS..Hα-helixtrans-62.9-35.9176.5-175.60000112.4R42 W43 E49 N50R42-S46 WeakPolarHBondContact O-CB 3.45Å; R42-S46 PolarHBondContact O-N 2.85Å; W43-S46 PolarHBondContact O-N 3.39Å; S46-E49 PolarHBondContact O-N 3.46Å; S46-N50 WeakPolarHBondContact O-CB 3.48Å; S46-N50 VanDerWaalsContact O-CG 3.3Å; S46-N50 PolarHBondContact O-N 2.93Å; S46-N50 PolarHBondContact O-ND2 3.12Å
47Y92Very high91.4Very high145 Ų145104.7 Ų104.757%0.56953%0.527SS*.Hα-helixtrans-63.9-43.9175.1-178.7-98.4000111.9W43 D44 A45 N50 Q51W43-Y47 WeakPolarHBondContact O-CB 3.42Å; W43-Y47 PolarHBondContact O-N 3.1Å; D44-Y47 PolarHBondContact O-N 3.28Å; A45-Y47 VanDerWaalsContact C-N 3.3Å; A45-Y47 PolarHBondContact O-N 3.1Å; Y47-N50 PolarHBondContact O-N 3.47Å; Y47-Q51 PolarHBondContact O-N 3.42Å
48K92.3Very high91.4Very high119 Ų11999.7 Ų99.752%0.51752%0.515SS..Hα-helixtrans-62.8-43.1175.1-74168176.6159.80112.3D44 A45 Q51 A52D44-K48 WeakPolarHBondContact O-CG 3.36Å; D44-K48 PolarHBondContact O-N 3.42Å; D44-K48 IonicContact OD1-NZ 3.97Å; D44-K48 VanDerWaalsContact OD2-CE 3.31Å; D44-K48 WeakPolarHBondContact OD2-CE 3.27Å; D44-K48 IonicContact OD2-NZ 2.69Å; D44-K48 PolarHBondContact OD2-NZ 3.4Å; A45-K48 PolarHBondContact O-N 3.02Å; K48-Q51 PolarHBondContact O-N 2.77Å; K48-A52 PolarHBondContact O-N 3.42Å
49E91.1Very high91.5Very high129 Ų12997.1 Ų97.160%0.60351%0.506SS*.Hα-helixtrans-60.3-44.7174.1-73.9175.7-17800111.7A45 S46 Q51 A52 L53A45-E49 PolarHBondContact O-N 3.48Å; S46-E49 PolarHBondContact O-N 3.46Å; E49-Q51 VanDerWaalsContact C-N 3.31Å; E49-Q51 PolarHBondContact O-N 3.34Å; E49-A52 PolarHBondContact O-N 3.37Å; E49-L53 WeakPolarHBondContact O-CG 3.35Å; E49-L53 PolarHBondContact O-N 2.89Å
50N89.5Confident91.7Very high91 Ų91100.4 Ų100.449%0.48751%0.511SS..Hα-helixtrans-61.9-37.7176.1-77.2-43.2000112.4S46 Y47 L53 S54S46-N50 WeakPolarHBondContact O-CB 3.48Å; S46-N50 VanDerWaalsContact O-CG 3.3Å; S46-N50 PolarHBondContact O-N 2.93Å; S46-N50 PolarHBondContact O-ND2 3.12Å; Y47-N50 PolarHBondContact O-N 3.47Å; N50-L53 PolarHBondContact O-N 2.85Å; N50-S54 WeakPolarHBondContact O-CB 3.47Å; N50-S54 PolarHBondContact O-N 3.43Å
51Q92.9Very high91.6Very high124 Ų124102.1 Ų102.158%0.57951%0.514SS*.Hα-helixtrans-66-41.1175.2-166.5178.715.400111.9Y47 K48 E49 S54 S55Y47-Q51 PolarHBondContact O-N 3.42Å; K48-Q51 PolarHBondContact O-N 2.77Å; E49-Q51 VanDerWaalsContact C-N 3.31Å; E49-Q51 PolarHBondContact O-N 3.34Å; Q51-S54 PolarHBondContact O-N 3.04Å; Q51-S55 PolarHBondContact O-N 3.45Å
52A92.1Very high91.7Very high57 Ų57102.5 Ų102.547%0.47151%0.513SS..Hα-helixtrans-65.4-40.1174.500000112.3K48 E49 S55 L56K48-A52 PolarHBondContact O-N 3.42Å; E49-A52 PolarHBondContact O-N 3.37Å; A52-S55 PolarHBondContact O-N 3.39Å; A52-S55 PolarHBondContact O-OG 2.76Å; A52-L56 WeakPolarHBondContact O-CB 3.39Å; A52-L56 PolarHBondContact O-N 2.87Å
53L92.1Very high91.9Very high101 Ų10197 Ų9753%0.52950%0.499SS..Hα-helixtrans-64.5-41.5173.7-73.2171.9000111.6E49 N50 S55 L56 V57E49-L53 WeakPolarHBondContact O-CG 3.35Å; E49-L53 PolarHBondContact O-N 2.89Å; N50-L53 PolarHBondContact O-N 2.85Å; L53-S55 VanDerWaalsContact C-N 3.34Å; L53-S55 PolarHBondContact O-N 3.46Å; L53-L56 PolarHBondContact O-N 3.36Å; L53-V57 WeakPolarHBondContact O-CG2 3.37Å; L53-V57 PolarHBondContact O-N 3.2Å
54S91.5Very high91.8Very high75 Ų7592.3 Ų92.352%0.52449%0.488SS..Hα-helixtrans-62.9-39.1177.6-1690000112.4N50 Q51 T58N50-S54 WeakPolarHBondContact O-CB 3.47Å; N50-S54 PolarHBondContact O-N 3.43Å; Q51-S54 PolarHBondContact O-N 3.04Å; S54-T58 PolarHBondContact O-N 3.32Å; S54-T58 VanDerWaalsContact O-N 3.09Å; S54-T58 PolarHBondContact O-OG1 2.89Å
55S92.4Very high91.8Very high76 Ų7692.7 Ų92.753%0.53149%0.493SS..Hα-helixtrans-68.9-38.1176.3710000111.7Q51 A52 L53 T58 S59Q51-S55 PolarHBondContact O-N 3.45Å; A52-S55 PolarHBondContact O-N 3.39Å; A52-S55 PolarHBondContact O-OG 2.76Å; L53-S55 VanDerWaalsContact C-N 3.34Å; L53-S55 PolarHBondContact O-N 3.46Å; S55-T58 PolarHBondContact O-N 3.39Å; S55-S59 PolarHBondContact O-N 2.73Å
56L92.5Very high92Very high82 Ų8294.9 Ų94.943%0.42950%0.501SS..Hα-helixtrans-64.5-44.2175-174.563.5000112.1A52 L53 T58 S59 Y60A52-L56 WeakPolarHBondContact O-CB 3.39Å; A52-L56 PolarHBondContact O-N 2.87Å; L53-L56 PolarHBondContact O-N 3.36Å; L56-T58 VanDerWaalsContact C-N 3.34Å; L56-T58 PolarHBondContact O-N 2.84Å; L56-S59 WeakPolarHBondContact O-CB 3.2Å; L56-S59 PolarHBondContact O-N 3.14Å; L56-Y60 HydrophobicContact CD1-CD2 4.11Å; L56-Y60 HydrophobicContact CD1-CE2 3.63Å; L56-Y60 HydrophobicContact CD2-CE2 4.01Å; L56-Y60 HydrophobicContact CG-CD2 3.87Å; L56-Y60 HydrophobicContact CG-CE2 3.56Å; L56-Y60 VanDerWaalsContact O-CD2 3.25Å; L56-Y60 WeakPolarHBondContact O-CD2 3.2Å; L56-Y60 PolarHBondContact O-N 2.78Å
57V90.6Very high92.2Very high80 Ų8098.4 Ų98.449%0.48551%0.514SS..Hα-helixtrans-59-46.7174.8169.50000110.7L53 S59 Y60 E61L53-V57 WeakPolarHBondContact O-CG2 3.37Å; L53-V57 PolarHBondContact O-N 3.2Å; V57-S59 VanDerWaalsContact C-N 3.27Å; V57-S59 PolarHBondContact O-N 2.77Å; V57-Y60 PolarHBondContact O-N 3.32Å; V57-Y60 VanDerWaalsContact O-N 3.14Å; V57-E61 HydrophobicContact CG1-CG 4.45Å; V57-E61 WeakPolarHBondContact O-CG 3.2Å; V57-E61 PolarHBondContact O-N 3.34Å
58T93.1Very high92.3Very high62 Ų6298.9 Ų98.938%0.3852%0.515SS..Hα-helixtrans-59-38.8177.1-54.10000111.7S54 S55 L56 K62S54-T58 PolarHBondContact O-N 3.32Å; S54-T58 VanDerWaalsContact O-N 3.09Å; S54-T58 PolarHBondContact O-OG1 2.89Å; S55-T58 PolarHBondContact O-N 3.39Å; L56-T58 VanDerWaalsContact C-N 3.34Å; L56-T58 PolarHBondContact O-N 2.84Å; T58-K62 WeakPolarHBondContact O-CG 3.21Å; T58-K62 PolarHBondContact O-N 3.03Å; T58-K62 VanDerWaalsContact O-N 3.13Å
59S93.2Very high92.4Very high55 Ų5598 Ų9839%0.38551%0.512SS..Hα-helixtrans-64.9-45.7174.7-177.80000112.3S55 L56 V57 E61 K62 N63S55-S59 PolarHBondContact O-N 2.73Å; L56-S59 WeakPolarHBondContact O-CB 3.2Å; L56-S59 PolarHBondContact O-N 3.14Å; V57-S59 VanDerWaalsContact C-N 3.27Å; V57-S59 PolarHBondContact O-N 2.77Å; S59-E61 VanDerWaalsContact C-N 3.35Å; S59-E61 PolarHBondContact O-N 3.02Å; S59-K62 WeakPolarHBondContact O-CB 3.37Å; S59-K62 PolarHBondContact O-N 2.98Å; S59-N63 PolarHBondContact O-N 2.96Å; S59-N63 PolarHBondContact O-ND2 3.39Å
60Y94.6Very high92.5Very high143 Ų14396.7 Ų96.756%0.56151%0.506SS*.Hα-helixtrans-62.7-39.1176.1-81.4-63000112.9L56 V57 N63 L64L56-Y60 HydrophobicContact CD1-CD2 4.11Å; L56-Y60 HydrophobicContact CD1-CE2 3.63Å; L56-Y60 HydrophobicContact CD2-CE2 4.01Å; L56-Y60 HydrophobicContact CG-CD2 3.87Å; L56-Y60 HydrophobicContact CG-CE2 3.56Å; L56-Y60 VanDerWaalsContact O-CD2 3.25Å; L56-Y60 WeakPolarHBondContact O-CD2 3.2Å; L56-Y60 PolarHBondContact O-N 2.78Å; V57-Y60 PolarHBondContact O-N 3.32Å; V57-Y60 VanDerWaalsContact O-N 3.14Å; Y60-N63 PolarHBondContact O-N 3.02Å; Y60-L64 WeakPolarHBondContact O-CB 3.48Å; Y60-L64 WeakPolarHBondContact O-CG 3.27Å; Y60-L64 PolarHBondContact O-N 3.28Å
61E91.3Very high92.7Very high118 Ų11898.4 Ų98.455%0.55151%0.511SS*.Hα-helixtrans-62.4-44.1175.4-72.9-178159.800111.6V57 S59 N63 L64 T65V57-E61 HydrophobicContact CG1-CG 4.45Å; V57-E61 WeakPolarHBondContact O-CG 3.2Å; V57-E61 PolarHBondContact O-N 3.34Å; S59-E61 VanDerWaalsContact C-N 3.35Å; S59-E61 PolarHBondContact O-N 3.02Å; E61-N63 PolarHBondContact O-N 3.04Å; E61-L64 PolarHBondContact O-N 3.29Å; E61-T65 WeakPolarHBondContact O-CG2 3.4Å; E61-T65 PolarHBondContact O-N 3.38Å
62K93.7Very high92.8Very high134 Ų134100 Ų10058%0.58351%0.511SS*.Hα-helixtrans-57.7-48.9172.5-72.3175.4-178.6-178.90111.1T58 S59 L64 T65 V66T58-K62 WeakPolarHBondContact O-CG 3.21Å; T58-K62 PolarHBondContact O-N 3.03Å; T58-K62 VanDerWaalsContact O-N 3.13Å; S59-K62 WeakPolarHBondContact O-CB 3.37Å; S59-K62 PolarHBondContact O-N 2.98Å; K62-L64 VanDerWaalsContact C-N 3.31Å; K62-L64 PolarHBondContact O-N 3.07Å; K62-T65 PolarHBondContact O-N 3.45Å; K62-T65 VanDerWaalsContact O-N 3.09Å; K62-T65 PolarHBondContact O-OG1 3.33Å; K62-V66 PolarHBondContact O-N 3.06Å; K62-V66 VanDerWaalsContact O-N 3.1Å
63N92.3Very high92.9Very high88 Ų88101.7 Ų101.747%0.47151%0.51SS..Hα-helixtrans-59.5-40.6177.3-69.7-21.9000112.4S59 Y60 E61 T65 V66 M67S59-N63 PolarHBondContact O-N 2.96Å; S59-N63 PolarHBondContact O-ND2 3.39Å; Y60-N63 PolarHBondContact O-N 3.02Å; E61-N63 PolarHBondContact O-N 3.04Å; N63-T65 VanDerWaalsContact C-N 3.34Å; N63-T65 PolarHBondContact O-N 3.34Å; N63-V66 PolarHBondContact O-N 2.93Å; N63-M67 WeakPolarHBondContact O-CB 3.28Å; N63-M67 WeakPolarHBondContact O-CG 3.32Å; N63-M67 PolarHBondContact O-N 2.54Å
64L91Very high93Very high93 Ų93100.4 Ų100.449%0.48751%0.506SS..Hα-helixtrans-64-36.8175.5-76.4171.3000112.5Y60 E61 K62 R68Y60-L64 WeakPolarHBondContact O-CB 3.48Å; Y60-L64 WeakPolarHBondContact O-CG 3.27Å; Y60-L64 PolarHBondContact O-N 3.28Å; E61-L64 PolarHBondContact O-N 3.29Å; K62-L64 VanDerWaalsContact C-N 3.31Å; K62-L64 PolarHBondContact O-N 3.07Å; L64-R68 WeakPolarHBondContact O-CB 3.45Å; L64-R68 VanDerWaalsContact O-CG 3.22Å; L64-R68 WeakPolarHBondContact O-CG 3.44Å; L64-R68 PolarHBondContact O-N 3.08Å
65T91.7Very high93.1Very high80 Ų80103 Ų10349%0.49151%0.508SS..Hα-helixtrans-65.5-42.4175.360.40000112.2E61 K62 N63 R68 Q69E61-T65 WeakPolarHBondContact O-CG2 3.4Å; E61-T65 PolarHBondContact O-N 3.38Å; K62-T65 PolarHBondContact O-N 3.45Å; K62-T65 VanDerWaalsContact O-N 3.09Å; K62-T65 PolarHBondContact O-OG1 3.33Å; N63-T65 VanDerWaalsContact C-N 3.34Å; N63-T65 PolarHBondContact O-N 3.34Å; T65-R68 PolarHBondContact O-N 2.87Å; T65-Q69 PolarHBondContact O-N 3.23Å
66V93.3Very high93.1Very high90 Ų90101.3 Ų101.355%0.54550%0.502SS..Hα-helixtrans-62-47.9175.1175.50000110.7K62 N63 R68 Q69 H70K62-V66 PolarHBondContact O-N 3.06Å; K62-V66 VanDerWaalsContact O-N 3.1Å; N63-V66 PolarHBondContact O-N 2.93Å; V66-R68 VanDerWaalsContact C-N 3.34Å; V66-R68 PolarHBondContact O-N 3.26Å; V66-Q69 WeakPolarHBondContact O-CB 3.22Å; V66-Q69 PolarHBondContact O-N 3.47Å; V66-Q69 VanDerWaalsContact O-N 3.16Å; V66-H70 PolarHBondContact O-N 3.28Å
67M92.9Very high93.3Very high124 Ų124104.3 Ų104.361%0.61151%0.512SS*.Hα-helixtrans-61.6-39.7177.9-73.1-62.1-67.100112.8N63 H70 H71N63-M67 WeakPolarHBondContact O-CB 3.28Å; N63-M67 WeakPolarHBondContact O-CG 3.32Å; N63-M67 PolarHBondContact O-N 2.54Å; M67-H70 PolarHBondContact O-N 2.99Å; M67-H71 WeakPolarHBondContact O-CB 3.3Å; M67-H71 PolarHBondContact O-N 2.71Å
68R93.4Very high93.5Very high156 Ų156104.6 Ų104.659%0.58951%0.51SS*.Hα-helixtrans-65.7-38.7175.2-76.4171.3177.8166.71.6112L64 T65 V66 R72L64-R68 WeakPolarHBondContact O-CB 3.45Å; L64-R68 VanDerWaalsContact O-CG 3.22Å; L64-R68 WeakPolarHBondContact O-CG 3.44Å; L64-R68 PolarHBondContact O-N 3.08Å; T65-R68 PolarHBondContact O-N 2.87Å; V66-R68 VanDerWaalsContact C-N 3.34Å; V66-R68 PolarHBondContact O-N 3.26Å; R68-R72 WeakPolarHBondContact O-CG 3.44Å; R68-R72 PolarHBondContact O-N 3.47Å; R68-R72 VanDerWaalsContact O-N 3.09Å
69Q94.5Very high93.4Very high100 Ų100105.8 Ų105.847%0.46752%0.517SS..Hα-helixtrans-64.1-49.3174.4177.9175.8-16.900111T65 V66 H71 R72 E73T65-Q69 PolarHBondContact O-N 3.23Å; V66-Q69 WeakPolarHBondContact O-CB 3.22Å; V66-Q69 PolarHBondContact O-N 3.47Å; V66-Q69 VanDerWaalsContact O-N 3.16Å; Q69-H71 VanDerWaalsContact C-N 3.29Å; Q69-H71 PolarHBondContact O-N 3.35Å; Q69-R72 WeakPolarHBondContact O-CA 3.31Å; Q69-R72 WeakPolarHBondContact O-CB 3.39Å; Q69-R72 PolarHBondContact O-N 2.86Å; Q69-E73 WeakPolarHBondContact CG-OE1 3.4Å; Q69-E73 PolarHBondContact NE2-OE1 3.38Å; Q69-E73 VanDerWaalsContact NE2-OE1 3.08Å; Q69-E73 PolarHBondContact O-N 2.9Å
70H94.5Very high93.5Very high102 Ų102108.8 Ų108.847%0.47253%0.525SS..Hα-helixtrans-56.7-43.6176.6-17565.2000111.9V66 M67 R72 E73 V74V66-H70 PolarHBondContact O-N 3.28Å; M67-H70 PolarHBondContact O-N 2.99Å; H70-R72 VanDerWaalsContact C-N 3.32Å; H70-R72 PolarHBondContact O-N 2.99Å; H70-E73 PolarHBondContact O-N 3.07Å; H70-V74 WeakPolarHBondContact O-CG2 3.34Å; H70-V74 PolarHBondContact O-N 2.9Å
71H93.1Very high93.6Very high127 Ų127105.1 Ų105.159%0.58852%0.518SS*.Hα-helixtrans-61.3-37.5175.1-180-89.6000112.8M67 Q69 K75M67-H71 WeakPolarHBondContact O-CB 3.3Å; M67-H71 PolarHBondContact O-N 2.71Å; Q69-H71 VanDerWaalsContact C-N 3.29Å; Q69-H71 PolarHBondContact O-N 3.35Å; H71-K75 VanDerWaalsContact O-CB 3.23Å; H71-K75 WeakPolarHBondContact O-CB 3.38Å; H71-K75 PolarHBondContact O-N 3.49Å
72R94.3Very high93.7Very high156 Ų156107.3 Ų107.359%0.58952%0.521SS*.Hα-helixtrans-65.3-42.1174.6-74.6-174.9-66.7-113.31.3111.8R68 Q69 H70 K75 G76R68-R72 WeakPolarHBondContact O-CG 3.44Å; R68-R72 PolarHBondContact O-N 3.47Å; R68-R72 VanDerWaalsContact O-N 3.09Å; Q69-R72 WeakPolarHBondContact O-CA 3.31Å; Q69-R72 WeakPolarHBondContact O-CB 3.39Å; Q69-R72 PolarHBondContact O-N 2.86Å; H70-R72 VanDerWaalsContact C-N 3.32Å; H70-R72 PolarHBondContact O-N 2.99Å; R72-K75 PolarHBondContact O-N 3.39Å; R72-G76 PolarHBondContact O-N 3.5Å
73E94.7Very high93.8Very high93 Ų93104.8 Ų104.844%0.43552%0.52SS..Hα-helixtrans-64.2-47.8178-69.7168.3-16800111.7Q69 H70 K75 G76 K77Q69-E73 WeakPolarHBondContact CG-OE1 3.4Å; Q69-E73 PolarHBondContact NE2-OE1 3.38Å; Q69-E73 VanDerWaalsContact NE2-OE1 3.08Å; Q69-E73 PolarHBondContact O-N 2.9Å; H70-E73 PolarHBondContact O-N 3.07Å; E73-K75 VanDerWaalsContact C-N 3.33Å; E73-K75 PolarHBondContact O-N 2.96Å; E73-G76 PolarHBondContact O-N 2.99Å; E73-K77 PolarHBondContact O-N 3.41Å
74V94.3Very high94Very high75 Ų75105.5 Ų105.546%0.45552%0.52SS..Hα-helixtrans-60.8-43.4176.21730000111.1H70 G76 K77 L78H70-V74 WeakPolarHBondContact O-CG2 3.34Å; H70-V74 PolarHBondContact O-N 2.9Å; V74-G76 VanDerWaalsContact C-N 3.32Å; V74-G76 PolarHBondContact O-N 3.09Å; V74-K77 PolarHBondContact O-N 2.9Å; V74-L78 WeakPolarHBondContact O-CB 2.92Å; V74-L78 PolarHBondContact O-N 3.02Å
75K92.8Very high94.2Very high130 Ų130105.7 Ų105.757%0.56552%0.521SS*.Hα-helixtrans-62.9-39.1175.9-173178.6178.8-176.60111.9H71 R72 E73 L78 V79H71-K75 VanDerWaalsContact O-CB 3.23Å; H71-K75 WeakPolarHBondContact O-CB 3.38Å; H71-K75 PolarHBondContact O-N 3.49Å; R72-K75 PolarHBondContact O-N 3.39Å; E73-K75 VanDerWaalsContact C-N 3.33Å; E73-K75 PolarHBondContact O-N 2.96Å; K75-L78 PolarHBondContact O-N 2.97Å; K75-V79 WeakPolarHBondContact O-CG2 3.28Å; K75-V79 PolarHBondContact O-N 3.5Å; K75-V79 VanDerWaalsContact O-N 3.08Å
76G94.1Very high94.2Very high39 Ų39104.6 Ų104.640%0.40252%0.52SS..Hα-helixtrans-59.7-52.4174.600000112R72 E73 V74 L78 V79 E80R72-G76 PolarHBondContact O-N 3.5Å; E73-G76 PolarHBondContact O-N 2.99Å; V74-G76 VanDerWaalsContact C-N 3.32Å; V74-G76 PolarHBondContact O-N 3.09Å; G76-L78 VanDerWaalsContact C-N 3.3Å; G76-L78 PolarHBondContact O-N 3.47Å; G76-V79 PolarHBondContact O-N 3.32Å; G76-V79 VanDerWaalsContact O-N 3.15Å; G76-E80 PolarHBondContact O-N 3.35Å
77K95.8Very high94.3Very high146 Ų146103.7 Ų103.764%0.63552%0.518SS*.Hα-helixtrans-56.7-42.8176-69.5-179.4179.5-178.40112.1E73 V74 V79 E80 T81E73-K77 PolarHBondContact O-N 3.41Å; V74-K77 PolarHBondContact O-N 2.9Å; K77-V79 PolarHBondContact O-N 2.83Å; K77-E80 PolarHBondContact O-N 3.41Å; K77-T81 PolarHBondContact O-N 3.47Å; K77-T81 PolarHBondContact O-OG1 3.21Å
78L94.1Very high94.4Very high85 Ų85103.3 Ų103.345%0.44552%0.517SS..Hα-helixtrans-63.3-39.7178.3-179.263.4000112.8V74 K75 G76 R82V74-L78 WeakPolarHBondContact O-CB 2.92Å; V74-L78 PolarHBondContact O-N 3.02Å; K75-L78 PolarHBondContact O-N 2.97Å; G76-L78 VanDerWaalsContact C-N 3.3Å; G76-L78 PolarHBondContact O-N 3.47Å; L78-R82 WeakPolarHBondContact O-CB 3.16Å; L78-R82 VanDerWaalsContact O-CG 3.3Å; L78-R82 WeakPolarHBondContact O-CG 3.5Å; L78-R82 PolarHBondContact O-N 3.5Å
79V92.9Very high94.5Very high87 Ų8799.3 Ų99.353%0.52751%0.51SS..Hα-helixtrans-66.2-41.8176.7170.30000110.6K75 G76 K77 R82 S83K75-V79 WeakPolarHBondContact O-CG2 3.28Å; K75-V79 PolarHBondContact O-N 3.5Å; K75-V79 VanDerWaalsContact O-N 3.08Å; G76-V79 PolarHBondContact O-N 3.32Å; G76-V79 VanDerWaalsContact O-N 3.15Å; K77-V79 PolarHBondContact O-N 2.83Å; V79-R82 PolarHBondContact O-N 3.22Å; V79-S83 PolarHBondContact O-N 2.9Å
80E95.2Very high94.5Very high119 Ų11998.8 Ų98.856%0.55651%0.514SS*.Hα-helixtrans-62.2-49.1176.3-174178.2-176.700112G76 K77 R82 S83 Q84G76-E80 PolarHBondContact O-N 3.35Å; K77-E80 PolarHBondContact O-N 3.41Å; E80-R82 VanDerWaalsContact C-N 3.3Å; E80-R82 PolarHBondContact O-N 2.98Å; E80-S83 WeakPolarHBondContact O-CB 3.39Å; E80-S83 PolarHBondContact O-N 3.12Å; E80-Q84 WeakPolarHBondContact O-CG 3.36Å; E80-Q84 PolarHBondContact O-N 3.22Å
81T95.3Very high94.6Very high66 Ų66100.1 Ų100.141%0.40552%0.518SS..Hα-helixtrans-59.6-40.5176.7-52.80000111.9K77 S83 Q84 I85K77-T81 PolarHBondContact O-N 3.47Å; K77-T81 PolarHBondContact O-OG1 3.21Å; T81-S83 VanDerWaalsContact C-N 3.32Å; T81-S83 PolarHBondContact O-N 2.9Å; T81-Q84 PolarHBondContact O-N 3.04Å; T81-I85 HydrophobicContact CG2-CD1 4.06Å; T81-I85 WeakPolarHBondContact O-CG1 3.36Å; T81-I85 PolarHBondContact O-N 2.73Å
82R94.8Very high94.7Very high163 Ų163100.8 Ų100.862%0.61552%0.519SS*.Hα-helixtrans-62.3-39.2175.2-77.6176175.6179.9-0.9112.1L78 V79 E80 I85 A86L78-R82 WeakPolarHBondContact O-CB 3.16Å; L78-R82 VanDerWaalsContact O-CG 3.3Å; L78-R82 WeakPolarHBondContact O-CG 3.5Å; L78-R82 PolarHBondContact O-N 3.5Å; V79-R82 PolarHBondContact O-N 3.22Å; E80-R82 VanDerWaalsContact C-N 3.3Å; E80-R82 PolarHBondContact O-N 2.98Å; R82-I85 PolarHBondContact O-N 2.84Å; R82-A86 WeakPolarHBondContact O-CB 3.35Å; R82-A86 PolarHBondContact O-N 3.46Å
83S94.7Very high94.7Very high82 Ų8297.9 Ų97.957%0.57351%0.512SS*.Hα-helixtrans-64.7-40.9175.6-167.50000112V79 E80 T81 A86 S87V79-S83 PolarHBondContact O-N 2.9Å; E80-S83 WeakPolarHBondContact O-CB 3.39Å; E80-S83 PolarHBondContact O-N 3.12Å; T81-S83 VanDerWaalsContact C-N 3.32Å; T81-S83 PolarHBondContact O-N 2.9Å; S83-A86 PolarHBondContact O-N 3.49Å; S83-S87 PolarHBondContact O-N 2.8Å; S83-S87 VanDerWaalsContact O-N 3.1Å
84Q95.7Very high94.7Very high102 Ų10299.1 Ų99.148%0.47752%0.518SS..Hα-helixtrans-66.1-41.6176-68173.4-300112.2E80 T81 A86 S87 L88E80-Q84 WeakPolarHBondContact O-CG 3.36Å; E80-Q84 PolarHBondContact O-N 3.22Å; T81-Q84 PolarHBondContact O-N 3.04Å; Q84-A86 VanDerWaalsContact C-N 3.33Å; Q84-A86 PolarHBondContact O-N 3.22Å; Q84-S87 PolarHBondContact O-N 3.32Å; Q84-S87 PolarHBondContact O-OG 2.64Å; Q84-L88 WeakPolarHBondContact O-CG 3.48Å; Q84-L88 PolarHBondContact O-N 3.33Å; Q84-L88 VanDerWaalsContact O-N 3.1Å
85I95.3Very high94.7Very high98 Ų98100.2 Ų100.250%0.50352%0.52SS..Hα-helixtrans-62.5-43.2174.9-68.2168.2000110.2T81 R82 S87 L88 V89T81-I85 HydrophobicContact CG2-CD1 4.06Å; T81-I85 WeakPolarHBondContact O-CG1 3.36Å; T81-I85 PolarHBondContact O-N 2.73Å; R82-I85 PolarHBondContact O-N 2.84Å; I85-S87 PolarHBondContact O-N 2.98Å; I85-L88 PolarHBondContact O-N 3.16Å; I85-V89 HydrophobicContact CG2-CG2 4.36Å; I85-V89 WeakPolarHBondContact O-CG2 3.47Å; I85-V89 PolarHBondContact O-N 3.02Å
86A93.3Very high94.7Very high56 Ų5697.8 Ų97.846%0.46351%0.513SS..Hα-helixtrans-60.6-42.4178.800000112.4R82 S83 Q84 V89 V90R82-A86 WeakPolarHBondContact O-CB 3.35Å; R82-A86 PolarHBondContact O-N 3.46Å; S83-A86 PolarHBondContact O-N 3.49Å; Q84-A86 VanDerWaalsContact C-N 3.33Å; Q84-A86 PolarHBondContact O-N 3.22Å; A86-V89 PolarHBondContact O-N 3.12Å; A86-V90 WeakPolarHBondContact O-CG2 3.34Å; A86-V90 PolarHBondContact O-N 3Å; A86-V90 VanDerWaalsContact O-N 3.13Å
87S95.2Very high94.6Very high72 Ų72103.8 Ų103.850%0.50352%0.524SS..Hα-helixtrans-67-37.8177.165.80000112.7S83 Q84 I85 V89 V90 K91S83-S87 PolarHBondContact O-N 2.8Å; S83-S87 VanDerWaalsContact O-N 3.1Å; Q84-S87 PolarHBondContact O-N 3.32Å; Q84-S87 PolarHBondContact O-OG 2.64Å; I85-S87 PolarHBondContact O-N 2.98Å; S87-V89 VanDerWaalsContact C-N 3.35Å; S87-V90 PolarHBondContact O-N 3.5Å; S87-K91 PolarHBondContact O-N 3.13Å
88L95Very high94.4Very high115 Ų115102.7 Ų102.760%0.60252%0.521SS*.Hα-helixtrans-64.8-37.1174.4-71.1172.9000112.5Q84 I85 K91 K92Q84-L88 WeakPolarHBondContact O-CG 3.48Å; Q84-L88 PolarHBondContact O-N 3.33Å; Q84-L88 VanDerWaalsContact O-N 3.1Å; I85-L88 PolarHBondContact O-N 3.16Å; L88-K91 PolarHBondContact O-N 3.02Å; L88-K92 WeakPolarHBondContact O-CB 3.36Å; L88-K92 PolarHBondContact O-N 2.8Å
89V95.6Very high94.3Very high72 Ų72104.6 Ų104.644%0.43653%0.526SS..Hα-helixtrans-64.2-46.6175.5170.80000110.8I85 A86 S87 K91 K92 E93I85-V89 HydrophobicContact CG2-CG2 4.36Å; I85-V89 WeakPolarHBondContact O-CG2 3.47Å; I85-V89 PolarHBondContact O-N 3.02Å; A86-V89 PolarHBondContact O-N 3.12Å; S87-V89 VanDerWaalsContact C-N 3.35Å; V89-K91 VanDerWaalsContact C-N 3.34Å; V89-K91 PolarHBondContact O-N 3.22Å; V89-K92 WeakPolarHBondContact O-CB 3.3Å; V89-K92 PolarHBondContact O-N 3.01Å; V89-E93 PolarHBondContact O-N 3.17Å
90V94.9Very high94.1Very high89 Ų89106.2 Ų106.254%0.53953%0.527SS..Hα-helixtrans-59.7-45.2176.4173.20000111A86 S87 K92 E93 E94A86-V90 WeakPolarHBondContact O-CG2 3.34Å; A86-V90 PolarHBondContact O-N 3Å; A86-V90 VanDerWaalsContact O-N 3.13Å; S87-V90 PolarHBondContact O-N 3.5Å; V90-K92 VanDerWaalsContact C-N 3.32Å; V90-K92 PolarHBondContact O-N 2.91Å; V90-E93 PolarHBondContact O-N 3.46Å; V90-E94 PolarHBondContact O-N 3.42Å
91K95.4Very high93.6Very high130 Ų130105.8 Ų105.857%0.56553%0.528SS*.Hα-helixtrans-62.2-38.1177.4-170.7172.5-176.5175.40112.4S87 L88 V89 E94 I95S87-K91 PolarHBondContact O-N 3.13Å; L88-K91 PolarHBondContact O-N 3.02Å; V89-K91 VanDerWaalsContact C-N 3.34Å; V89-K91 PolarHBondContact O-N 3.22Å; K91-E94 PolarHBondContact O-N 2.71Å; K91-I95 HydrophobicContact CG-CD1 4.33Å; K91-I95 WeakPolarHBondContact O-CG1 3.28Å; K91-I95 PolarHBondContact O-N 3.46Å; K91-I95 VanDerWaalsContact O-N 3.13Å
92K95.1Very high93.1Very high142 Ų142107.5 Ų107.562%0.61753%0.534SS*.Hα-helixtrans-63.6-41.9174.8-178.5-174.9175.5-176.70111.7L88 V89 V90 E94 I95 L96L88-K92 WeakPolarHBondContact O-CB 3.36Å; L88-K92 PolarHBondContact O-N 2.8Å; V89-K92 WeakPolarHBondContact O-CB 3.3Å; V89-K92 PolarHBondContact O-N 3.01Å; V90-K92 VanDerWaalsContact C-N 3.32Å; V90-K92 PolarHBondContact O-N 2.91Å; K92-E94 VanDerWaalsContact C-N 3.34Å; K92-I95 PolarHBondContact O-N 2.79Å; K92-L96 HydrophobicContact CG-CD1 4.12Å; K92-L96 WeakPolarHBondContact O-CB 3.26Å; K92-L96 WeakPolarHBondContact O-CG 3.29Å; K92-L96 PolarHBondContact O-N 3.19Å
93E94.2Very high92.5Very high94 Ų94105.3 Ų105.344%0.43953%0.529SS..Hα-helixtrans-64.6-38.1177.3-71.5179.7-179.800112.3V89 V90 L96 R97V89-E93 PolarHBondContact O-N 3.17Å; V90-E93 PolarHBondContact O-N 3.46Å; E93-L96 PolarHBondContact O-N 2.77Å; E93-R97 WeakPolarHBondContact O-CG 3.46Å; E93-R97 PolarHBondContact O-N 3.11Å; E93-R97 IonicContact OE2-NH2 3.92Å
94E94.5Very high91.6Very high120 Ų120109 Ų10956%0.56154%0.535SS*.Hα-helixtrans-62.7-48.4175.5-171.8170.6-159.500111.8V90 K91 K92 L96 R97 E98V90-E94 PolarHBondContact O-N 3.42Å; K91-E94 PolarHBondContact O-N 2.71Å; K92-E94 VanDerWaalsContact C-N 3.34Å; E94-L96 VanDerWaalsContact C-N 3.29Å; E94-L96 PolarHBondContact O-N 3.47Å; E94-R97 WeakPolarHBondContact O-CB 3.3Å; E94-R97 PolarHBondContact O-N 3.44Å; E94-R97 VanDerWaalsContact O-N 3.12Å; E94-E98 PolarHBondContact O-N 2.87Å
95I94.2Very high90.5Very high97 Ų97109.7 Ų109.750%0.49754%0.542SS..Hα-helixtrans-59.8-39.5175.3-66.1166.3000111.4K91 K92 E98 K99K91-I95 HydrophobicContact CG-CD1 4.33Å; K91-I95 WeakPolarHBondContact O-CG1 3.28Å; K91-I95 PolarHBondContact O-N 3.46Å; K91-I95 VanDerWaalsContact O-N 3.13Å; K92-I95 PolarHBondContact O-N 2.79Å; I95-E98 PolarHBondContact O-N 3.34Å; I95-K99 WeakPolarHBondContact O-CB 3.34Å; I95-K99 PolarHBondContact O-N 2.93Å
96L93.1Very high89.2Confident80 Ų80111.6 Ų111.642%0.41955%0.553SS.*Hα-helixtrans-63.6-41.5176.3-81.6162.8000111.8K92 E93 E94 K99 H100K92-L96 HydrophobicContact CG-CD1 4.12Å; K92-L96 WeakPolarHBondContact O-CB 3.26Å; K92-L96 WeakPolarHBondContact O-CG 3.29Å; K92-L96 PolarHBondContact O-N 3.19Å; E93-L96 PolarHBondContact O-N 2.77Å; E94-L96 VanDerWaalsContact C-N 3.29Å; E94-L96 PolarHBondContact O-N 3.47Å; L96-K99 PolarHBondContact O-N 2.78Å; L96-H100 PolarHBondContact O-CD2 3.31Å; L96-H100 PolarHBondContact O-N 3.15Å
97R92.5Very high87.4Confident165 Ų165116.9 Ų116.962%0.62357%0.568SS**Hα-helixtrans-64.2-44176.2-71.1-178.7-137.4155.34.4111.8E93 E94 H100 L101E93-R97 WeakPolarHBondContact O-CG 3.46Å; E93-R97 PolarHBondContact O-N 3.11Å; E93-R97 IonicContact OE2-NH2 3.92Å; E94-R97 WeakPolarHBondContact O-CB 3.3Å; E94-R97 PolarHBondContact O-N 3.44Å; E94-R97 VanDerWaalsContact O-N 3.12Å; R97-H100 PolarHBondContact O-N 3.23Å; R97-L101 PolarHBondContact O-N 3.5Å
98E91.6Very high85.1Confident122 Ų122116.4 Ų116.457%0.5758%0.575SS**Hα-helixtrans-62.2-44.3177.5-170.4176.9-17100111.5E94 I95 H100 L101 L102E94-E98 PolarHBondContact O-N 2.87Å; I95-E98 PolarHBondContact O-N 3.34Å; E98-H100 VanDerWaalsContact C-N 3.31Å; E98-H100 PolarHBondContact O-N 3.34Å; E98-L101 WeakPolarHBondContact O-CB 3.4Å; E98-L101 PolarHBondContact O-N 3.17Å; E98-L101 VanDerWaalsContact O-N 3.1Å; E98-L102 PolarHBondContact O-N 2.89Å
99K91.2Very high82.4Confident126 Ų126117.1 Ų117.155%0.54858%0.584SS.*Hα-helixtrans-59.6-39.9174-175177.2-178.71750112.6I95 L96 L101 K103I95-K99 WeakPolarHBondContact O-CB 3.34Å; I95-K99 PolarHBondContact O-N 2.93Å; L96-K99 PolarHBondContact O-N 2.78Å; K99-L101 VanDerWaalsContact C-N 3.33Å; K99-K103 WeakPolarHBondContact O-CG 3.31Å; K99-K103 PolarHBondContact O-N 2.71Å
100H88.6Confident79.4Confident121 Ų121122.3 Ų122.356%0.5660%0.603SS**Hα-helixtrans-66.5-34175.6-85.7-67.1000112.7L96 R97 E98 K104L96-H100 PolarHBondContact O-CD2 3.31Å; L96-H100 PolarHBondContact O-N 3.15Å; R97-H100 PolarHBondContact O-N 3.23Å; E98-H100 VanDerWaalsContact C-N 3.31Å; E98-H100 PolarHBondContact O-N 3.34Å; H100-K104 PolarHBondContact O-N 2.92Å
101L85.7Confident76.3Confident109 Ų109125.1 Ų125.157%0.57162%0.616SS**Hα-helixtrans-70.1-43.1177.2-167.467.6000111.5R97 E98 K99 K103 K104 N105R97-L101 PolarHBondContact O-N 3.5Å; E98-L101 WeakPolarHBondContact O-CB 3.4Å; E98-L101 PolarHBondContact O-N 3.17Å; E98-L101 VanDerWaalsContact O-N 3.1Å; K99-L101 VanDerWaalsContact C-N 3.33Å; L101-K103 PolarHBondContact O-N 3.46Å; L101-K104 PolarHBondContact O-N 3.13Å; L101-N105 PolarHBondContact O-N 3.45Å
102L83.7Confident73.4Confident103 Ų103126.6 Ų126.654%0.53963%0.63SS.*Hα-helixtrans-61.2-43.5176.5-70.3168.4000112.1E98 K104 N105 D106E98-L102 PolarHBondContact O-N 2.89Å; L102-K104 VanDerWaalsContact C-N 3.32Å; L102-K104 PolarHBondContact O-N 3.08Å; L102-N105 PolarHBondContact O-N 3.43Å; L102-N105 VanDerWaalsContact O-N 3.14Å; L102-D106 PolarHBondContact O-N 3.4Å
103K82.8Confident70.7Confident117 Ų117125.5 Ų125.551%0.50964%0.637SS.*Hα-helixtrans-59.7-38.4176.3-78.8-172.5169.5-157.30113.8K99 L101 N105 D106 E107K99-K103 WeakPolarHBondContact O-CG 3.31Å; K99-K103 PolarHBondContact O-N 2.71Å; L101-K103 PolarHBondContact O-N 3.46Å; K103-N105 VanDerWaalsContact C-N 3.28Å; K103-N105 PolarHBondContact O-N 2.98Å; K103-D106 PolarHBondContact O-N 2.97Å; K103-E107 PolarHBondContact O-N 3Å
104K76.2Confident67.7Low159 Ų159125.5 Ų125.569%0.69165%0.653SS**Hα-helixtrans-68.4-29.8178.2-76.3-174.9176-172.30112.7H100 L101 L102H100-K104 PolarHBondContact O-N 2.92Å; L101-K104 PolarHBondContact O-N 3.13Å; L102-K104 VanDerWaalsContact C-N 3.32Å; L102-K104 PolarHBondContact O-N 3.08Å
105N71.6Confident64.7Low117 Ų117127.5 Ų127.563%0.62667%0.667SS**Hα-helixtrans-76.1-30.8177.5-67.5-7.5000111.7L101 L102 K103L101-N105 PolarHBondContact O-N 3.45Å; L102-N105 PolarHBondContact O-N 3.43Å; L102-N105 VanDerWaalsContact O-N 3.14Å; K103-N105 VanDerWaalsContact C-N 3.28Å; K103-N105 PolarHBondContact O-N 2.98Å
106D69.2Low61.6Low138 Ų138128 Ų12874%0.73868%0.679SS**Hα-helixtrans-77.1-27.7177-73-21.1000113.4L102 K103 G108L102-D106 PolarHBondContact O-N 3.4Å; K103-D106 PolarHBondContact O-N 2.97Å; D106-G108 PolarHBondContact O-N 3.28Å
107E54.3Low58.6Low166 Ų166131.6 Ų131.678%0.77670%0.697SS**THydrogen-bonded Turntrans-84.716.1-179.8-72179.417900114.1K103 T109K103-E107 PolarHBondContact O-N 3Å; E107-T109 PolarHBondContact O-N 2.95Å
108G47.9Very low55.7Low62 Ų62128.2 Ų128.264%0.63970%0.699SS**  trans-88.561.5174.500000114.3D106D106-G108 PolarHBondContact O-N 3.28Å
109T38Very low52.8Low131 Ų131128.3 Ų128.380%0.80471%0.712SS**SBendtrans-149.6128.4151.12.70000110.6E107E107-T109 PolarHBondContact O-N 2.95Å
110Q33.4Very low50.1Low180 Ų180128 Ų12884%0.84172%0.721SS**  trans86.396.7168.4-110.5171.9-19.600119.6
111D29.4Very low47.4Very low149 Ų149126.6 Ų126.680%0.79773%0.725SS**  21.2114.2127.5-54.6-40.8000118.8
112D34.6Very low45Very low161 Ų161129.4 Ų129.486%0.86174%0.74SS**  -174.8144.9103.8-115.8-24.1000111.7
113P38.9Very low42.6Very low119 Ų119127.6 Ų127.677%0.77375%0.745SS**  trans-106.7112.1-173.335.6-23.7000112.4
114A30.2Very low40.5Very low93 Ų93125.9 Ų125.977%0.76975%0.748SS**  trans-161.6137156.200000112.6
115L31.6Very low38.8Very low163 Ų163123.1 Ų123.185%0.85375%0.749SS**  trans88.583.3160.2-61.9161.3000118.4
116S28.3Very low37.2Very low108 Ų108124.3 Ų124.376%0.75576%0.755SS**  trans-33.7121.6138.551.90000115.6
117I31.7Very low35.8Very low155 Ų155124 Ų12480%0.79575%0.753SS**  trans-143.5114.3145.3-64.9-172000110.2
118S30.7Very low35.1Very low94 Ų94123.8 Ų123.866%0.65775%0.75SS**  trans31.9112.1156.366.30000120.8V120S118-V120 PolarHBondContact O-N 3.44Å
119S31.7Very low34.4Very low123 Ų123130.4 Ų130.486%0.8676%0.755SS**  trans-53.7111.5155.852.80000112.6
120V33.2Very low34.3Very low119 Ų119130.5 Ų130.572%0.72175%0.75SS**  trans-91.8106161.5-163.40000107.6S118 L122S118-V120 PolarHBondContact O-N 3.44Å; V120-L122 PolarHBondContact O-N 3.17Å; V120-L122 VanDerWaalsContact O-N 3.1Å
121S32.7Very low34.7Very low93 Ų93126.2 Ų126.265%0.6574%0.74SS**  trans-54.9107.9172.81770000110.7
122L34.1Very low35Very low168 Ų168127 Ų12788%0.8874%0.739SS**  trans-102.313.3174.4-119.1122.5000112.9V120V120-L122 PolarHBondContact O-N 3.17Å; V120-L122 VanDerWaalsContact O-N 3.1Å
123G34.6Very low34.9Very low64 Ų64123.9 Ų123.966%0.6673%0.729SS**SBendtrans-99.4-15.8-170.900000117.3
124S38.7Very low34.3Very low81 Ų81121.7 Ų121.757%0.56673%0.727SS**SBendtrans-108.1-0.2-166.851.50000116.5
125S40.4Very low34.2Very low101 Ų101124.6 Ų124.671%0.70673%0.729SS**SBendtrans-91.5-15.2-178.8-86.40000116.1
126L38Very low34.2Very low143 Ų143125.8 Ų125.875%0.74973%0.73SS**SBendtrans-91.3-37.2-178.7-90156.8000113.5K128 R129L126-K128 VanDerWaalsContact C-N 3.3Å; L126-K128 PolarHBondContact O-N 2.91Å; L126-R129 PolarHBondContact O-N 3.25Å
127N38.9Very low34.1Very low130 Ų130127 Ų12770%0.69573%0.733SS**Hα-helixtrans-72.5-22.4178.1-80.7-11.5000113.5R129N127-R129 VanDerWaalsContact C-N 3.33Å; N127-R129 PolarHBondContact O-N 3.3Å
128K40.1Very low33.9Very low163 Ų163122.5 Ų122.571%0.70972%0.724SS**Hα-helixtrans-77-16.3179.3-137.6174.8-174.3179.70113.9L126 S131L126-K128 VanDerWaalsContact C-N 3.3Å; L126-K128 PolarHBondContact O-N 2.91Å; K128-S131 PolarHBondContact O-OG 3.21Å
129R33.3Very low33.5Very low200 Ų200127.5 Ų127.576%0.75573%0.734SS**Hα-helixtrans-93.9-13.2177.8-74.8-172.1169.3-167.8-1.5114.2L126 N127L126-R129 PolarHBondContact O-N 3.25Å; N127-R129 VanDerWaalsContact C-N 3.33Å; N127-R129 PolarHBondContact O-N 3.3Å
130L36.1Very low33.1Very low133 Ų133128.2 Ų128.270%0.69673%0.734SS**Hα-helixtrans-84.9-21.4177.1-77.4159.5000112.8
131S41.5Very low32.6Very low90 Ų90128.5 Ų128.563%0.62974%0.735SS**SBendtrans-82.2-12.4177.457.40000114.9K128K128-S131 PolarHBondContact O-OG 3.21Å
132E36.2Very low32.1Very low165 Ų165129.9 Ų129.977%0.77174%0.74SS**SBendtrans-82.9-13.6177.3-74.5-177.2162.300113.3G134E132-G134 PolarHBondContact O-N 2.77Å
133C31.9Very low31.6Very low97 Ų97127.5 Ų127.566%0.65573%0.732SS**SBendtrans-96.975.4171.7-71.40000109.3L135C133-L135 PolarHBondContact O-N 2.65Å
134G26.8Very low31.1Very low72 Ų72133.4 Ų133.474%0.74274%0.739SS**  trans-58.466.4-175.400000116.6E132E132-G134 PolarHBondContact O-N 2.77Å
135L28.1Very low30.3Very low154 Ų154136.3 Ų136.381%0.80675%0.749SS**  trans-10281.5168.1-82.2158.4000108.6C133 V137C133-L135 PolarHBondContact O-N 2.65Å; L135-V137 PolarHBondContact O-N 3.08Å
136H30.3Very low29.8Very low188 Ų188139.9 Ų139.987%0.8776%0.759SS**  trans-68.1108.1158.6-83.1-74.5000108.3G138H136-G138 PolarHBondContact O-N 2.88Å
137V27.2Very low29.2Very low135 Ų135139.2 Ų139.282%0.81876%0.761SS**  trans-73.974162.7-175.70000107.3L135 K139L135-V137 PolarHBondContact O-N 3.08Å; V137-K139 PolarHBondContact O-N 3.2Å
138G26.6Very low28.6Very low59 Ų59138.4 Ų138.461%0.60876%0.763SS**  trans-73.9103.4169.700000109.1H136 T140H136-G138 PolarHBondContact O-N 2.88Å; G138-T140 PolarHBondContact O-N 3.35Å
139K22.5Very low27.9Very low199 Ų199139.6 Ų139.687%0.86577%0.768SS**  trans-60.7102.3163.1-73.8175.3176.5175.10108.3V137V137-K139 PolarHBondContact O-N 3.2Å
140T24.7Very low27.5Very low139 Ų139139.9 Ų139.985%0.85378%0.775SS**  trans-131.2106.7160.816.40000108.6G138G138-T140 PolarHBondContact O-N 3.35Å
141V21.8Very low27.1Very low125 Ų125137.4 Ų137.476%0.75877%0.769SS**  trans-79.9157.5169.8-174.80000107.7
142V22.7Very low26.7Very low122 Ų122141.2 Ų141.274%0.73978%0.781SS**  trans85.5124.4163.5-165.50000113.1
143T23.3Very low26.5Very low117 Ų117138 Ų13872%0.71878%0.777SS**  cis-162.4149.612.316.80000111.2
144K23.2Very low26.3Very low188 Ų188137.8 Ų137.882%0.81778%0.782SS**  trans38.9141.8139-72.5-179.9172.7178.10122.1
145D23.6Very low26.4Very low143 Ų143142.1 Ų142.177%0.76579%0.786SS**  trans87.266.5163.7-52.4-21.9000118.3
146L28.6Very low26.6Very low175 Ų175139.4 Ų139.492%0.91678%0.78SS**  trans-120.596.3141.3-77.7162.9000107.5
147T25.2Very low26.6Very low130 Ų130136.2 Ų136.280%0.79878%0.779SS**  trans-52.8124.1171.8490000110
148P27.8Very low26.7Very low112 Ų112132.6 Ų132.673%0.72776%0.76SS**  trans-77.1157.9168.432.4-29.7000109.4
149F25.1Very low27.5Very low189 Ų189135 Ų13583%0.82977%0.765SS**  trans82.5108.4174.3-91.8-103.3000118.6
150K25.1Very low27.7Very low206 Ų206135.1 Ų135.190%0.89676%0.76SS**  -143.9119.8107.4-101.9175.8-174.7179.70109.5
151S27.3Very low28.1Very low80 Ų80139.1 Ų139.156%0.55976%0.76SS**  trans-42131.5171.3-176.80000112S153S151-S153 PolarHBondContact O-N 2.95Å; S151-S153 PolarHBondContact OG-OG 3.37Å
152L32.5Very low29Very low170 Ų170136.8 Ų136.889%0.8975%0.746SS**SBendtrans-69.373.7165.4-100.480.2000108.8
153S31.5Very low29.9Very low97 Ų97134.8 Ų134.868%0.67873%0.73SS**  trans-13440.7172.154.60000111.2S151S151-S153 PolarHBondContact O-N 2.95Å; S151-S153 PolarHBondContact OG-OG 3.37Å
154A27.8Very low31.3Very low93 Ų93132.4 Ų132.477%0.76972%0.718SS**  trans-147.662.717100000110.8
155I30.5Very low33.1Very low163 Ų163128.4 Ų128.484%0.83670%0.701SS**  trans-104.183.8154-56.9178.5000105.8
156S31.5Very low35.2Very low97 Ų97130.2 Ų130.268%0.67870%0.702SS**  trans-58.3132.4165.9168.70000109.1S158S156-S158 PolarHBondContact O-N 3.42Å; S156-S158 VanDerWaalsContact O-N 3.08Å
157S30.2Very low37.3Very low121 Ų121123.5 Ų123.585%0.84667%0.666SS**SBendtrans-5697.9179.228.70000112.4
158S29.7Very low39.9Very low60 Ų60123.7 Ų123.742%0.4266%0.656SS.*  trans-151116.8154.739.60000109.9S156 W160S156-S158 PolarHBondContact O-N 3.42Å; S156-S158 VanDerWaalsContact O-N 3.08Å; S158-W160 PolarHBondContact O-N 3.35Å
159P42.3Very low42.6Very low109 Ų109119.8 Ų119.871%0.70863%0.628SS**G310 helixtrans-61-14.9-174.1-25.434.2000115.5R161P159-R161 PolarHBondContact O-N 2.96Å
160W27.4Very low45.3Very low202 Ų202113.8 Ų113.877%0.76560%0.601SS**G310 helixtrans-79.4-8.9-171.7-62.6101.2000115.6S158S158-W160 PolarHBondContact O-N 3.35Å
161R32.4Very low48.2Very low222 Ų222108.2 Ų108.284%0.83859%0.586SS**G310 helixtrans-96-2.5179.9-74.2-163-155.4-156.76.1116.4P159P159-R161 PolarHBondContact O-N 2.96Å
162V40.9Very low50.6Low77 Ų77108.9 Ų108.947%0.46758%0.579SS.*SBendtrans-82.1-20.4173.8-166.80000111.4S164 M229V162-S164 PolarHBondContact O-N 3.02Å; V162-M229 HydrophobicContact CB-CE 3.72Å; V162-M229 HydrophobicContact CG1-CE 3.52Å
163L42.9Very low52.8Low79 Ų79103.5 Ų103.541%0.41455%0.553SS.*THydrogen-bonded Turntrans-67.8126.9167.6-93.375.9000108.9
164S51.8Low54.7Low67 Ų6799 Ų9947%0.46952%0.521SS..THydrogen-bonded Turntrans71.952.9174.576.60000116.9V162 K166V162-S164 PolarHBondContact O-N 3.02Å; S164-K166 PolarHBondContact O-N 3.28Å
165K61Low56.8Low104 Ų104100.6 Ų100.645%0.45251%0.512SS..  trans-58.3106.8162.8-160.8-173.5-171.1-162.50108.4D198 C215K165-D198 WeakPolarHBondContact CE-OD2 3.23Å; K165-D198 VanDerWaalsContact NZ-CG 3.3Å; K165-D198 IonicContact NZ-OD1 3.33Å; K165-D198 PolarHBondContact NZ-OD1 3.34Å; K165-D198 IonicContact NZ-OD2 3.96Å; K165-D198 PolarHBondContact NZ-OD2 3.43Å; K165-C215 WeakPolarHBondContact O-CB 3.32Å; K165-C215 PolarHBondContact O-N 3.37Å
166K67.3Low58.6Low182 Ų182101.4 Ų101.479%0.79151%0.509SS*.  trans-63.2144.4172.7-67-172.8178.3-175.80108.4S164 F168S164-K166 PolarHBondContact O-N 3.28Å; K166-F168 PolarHBondContact O-N 3.11Å
167H73.8Confident60.6Low34 Ų3498.8 Ų98.816%0.15750%0.497CS..  trans-61.8134.2174.1-69.1-81.1000110.4F169 C196 C199 Q213 C215H167-F169 HydrophobicContact CB-CD1 4.32Å; H167-F169 HydrophobicContact CB-CD2 3.87Å; H167-F169 HydrophobicContact CB-CE1 3.75Å; H167-F169 HydrophobicContact CB-CE2 3.27Å; H167-F169 HydrophobicContact CB-CG 4.35Å; H167-F169 HydrophobicContact CB-CZ 3.15Å; H167-F169 AromaticContact CD2-CZ 3.9Å; H167-F169 AromaticContact CG-CZ 3.54Å; H167-F169 PolarHBondContact O-N 3.06Å; H167-C196 HydrophobicContact CB-CB 4.07Å; H167-C196 PolarHBondContact ND1-SG 3.44Å; H167-C196 VanDerWaalsContact ND1-SG 3.44Å; H167-C199 PolarHBondContact CE1-SG 2.7Å; H167-C199 PolarHBondContact ND1-SG 2.69Å; H167-Q213 PolarHBondContact NE2-O 3.28Å; H167-C215 HydrophobicContact CB-CB 4.32Å; H167-C215 VanDerWaalsContact CE1-CA 3.42Å; H167-C215 WeakPolarHBondContact CE1-CA 3.38Å; H167-C215 WeakPolarHBondContact ND1-CB 3.27Å
168F79.9Confident63.1Low134 Ų13495.5 Ų95.559%0.58847%0.469SS*.  trans-92.395.6170.2-170.6-120.1000109.6K166 C196 L197K166-F168 PolarHBondContact O-N 3.11Å; F168-C196 CarbonylContact O-C 3.57Å; F168-C196 WeakPolarHBondContact O-CA 3.1Å; F168-L197 HydrophobicContact CD1-CB 4.2Å; F168-L197 HydrophobicContact CD1-CD1 3.37Å; F168-L197 HydrophobicContact CD1-CG 4.21Å; F168-L197 HydrophobicContact CE1-CD1 3.42Å; F168-L197 VanDerWaalsContact CE1-CD1 3.42Å; F168-L197 PolarHBondContact O-N 2.84Å
169F83Confident65.7Low30 Ų3096 Ų9613%0.13247%0.469CS..EExtended strand (participates in β ladder)trans-86.5140.3-175-67.2-68.1000113.1H167 L194 R195 C196 V201 M203 R208H167-F169 HydrophobicContact CB-CD1 4.32Å; H167-F169 HydrophobicContact CB-CD2 3.87Å; H167-F169 HydrophobicContact CB-CE1 3.75Å; H167-F169 HydrophobicContact CB-CE2 3.27Å; H167-F169 HydrophobicContact CB-CG 4.35Å; H167-F169 HydrophobicContact CB-CZ 3.15Å; H167-F169 AromaticContact CD2-CZ 3.9Å; H167-F169 AromaticContact CG-CZ 3.54Å; H167-F169 PolarHBondContact O-N 3.06Å; F169-L194 HydrophobicContact CB-CB 4.12Å; F169-L194 HydrophobicContact CB-CD2 4.41Å; F169-L194 HydrophobicContact CD1-CB 3.82Å; F169-L194 HydrophobicContact CE1-CB 4.5Å; F169-L194 HydrophobicContact CG-CB 4.04Å; F169-L194 HydrophobicContact CG-CD1 4.5Å; F169-R195 CarbonylContact C-O 3.56Å; F169-R195 WeakPolarHBondContact CA-O 3.4Å; F169-C196 HydrophobicContact CD1-CB 4Å; F169-C196 HydrophobicContact CE1-CB 3.87Å; F169-V201 HydrophobicContact CE1-CG1 3.64Å; F169-V201 HydrophobicContact CZ-CG1 4.11Å; F169-M203 HydrophobicContact CE1-CE 3.66Å; F169-M203 HydrophobicContact CE1-CG 4.18Å; F169-M203 HydrophobicContact CE1-SD 3.87Å; F169-M203 HydrophobicContact CE2-CE 4.26Å; F169-M203 HydrophobicContact CE2-SD 3.99Å; F169-M203 HydrophobicContact CZ-CE 3.25Å; F169-M203 HydrophobicContact CZ-CG 4.35Å; F169-M203 HydrophobicContact CZ-SD 3.44Å; F169-M203 WeakPolarHBondContact CZ-SD 3.25Å; F169-R208 HydrophobicContact CD2-CG 4.31Å; F169-R208 HydrophobicContact CE2-CG 4.43Å
170F83Confident67.7Low62 Ų6290.9 Ų90.927%0.27244%0.436SS..EExtended strand (participates in β ladder)trans-116.3143161.369.7-80.3000110.4K172 R195 L197F170-K172 HydrophobicContact CE2-CB 4.21Å; F170-R195 HydrophobicContact CD1-CB 4.17Å; F170-R195 WeakPolarHBondContact CD1-O 3.15Å; F170-R195 HydrophobicContact CE1-CB 3.7Å; F170-R195 HydrophobicContact CE1-CG 3.64Å; F170-R195 WeakPolarHBondContact CE1-O 3.42Å; F170-R195 HydrophobicContact CE2-CB 4.34Å; F170-R195 HydrophobicContact CZ-CB 3.82Å; F170-R195 HydrophobicContact CZ-CG 3.81Å; F170-R195 PolarHBondContact N-O 3.21Å; F170-R195 PolarHBondContact O-N 3.01Å; F170-L197 HydrophobicContact CD1-CD1 4.48Å; F170-L197 HydrophobicContact CD1-CD2 3.57Å; F170-L197 HydrophobicContact CD1-CG 3.61Å; F170-L197 HydrophobicContact CE1-CD2 3.55Å; F170-L197 HydrophobicContact CE1-CG 4Å; F170-L197 HydrophobicContact CG-CD2 4.44Å; F170-L197 HydrophobicContact CZ-CD2 4.42Å
171P85.9Confident70.1Confident90 Ų9083.5 Ų83.558%0.58441%0.41SS*.EExtended strand (participates in β ladder)trans-72.8139.3174.529.7-32.8000110.8V192 M193 L194P171-V192 HydrophobicContact CB-CG1 3.56Å; P171-M193 CarbonylContact C-O 3.54Å; P171-M193 WeakPolarHBondContact CA-O 3.44Å; P171-L194 HydrophobicContact CB-CD2 4.49Å
172K78.1Confident72.5Confident93 Ų9374.5 Ų74.540%0.40438%0.379SS..EExtended strand (participates in β ladder)trans-140.1134.5172179.4171176.9-178.90109.9F170 M193F170-K172 HydrophobicContact CE2-CB 4.21Å; K172-M193 HydrophobicContact CB-CE 3.94Å; K172-M193 HydrophobicContact CB-CG 4.24Å; K172-M193 HydrophobicContact CD-CE 3.67Å; K172-M193 HydrophobicContact CG-CE 3.87Å; K172-M193 PolarHBondContact N-O 3.27Å; K172-M193 WeakPolarHBondContact O-CG 3.38Å; K172-M193 PolarHBondContact O-N 3.47Å
173T79.1Confident74.5Confident57 Ų5773 Ų7335%0.3537%0.372SS..EExtended strand (participates in β ladder)trans-73.5133175.3-45.40000110.9F175T173-F175 HydrophobicContact CG2-CE1 4.36Å; T173-F175 HydrophobicContact CG2-CE2 4.3Å; T173-F175 HydrophobicContact CG2-CZ 4.02Å; T173-F175 WeakPolarHBondContact O-CD2 3.39Å
174V70.3Confident76.3Confident2 Ų273.9 Ų73.91%0.01239%0.385CS..  trans-87.2107.9-179179.20000110.1F176 E178 I187 A190 K191 M193V174-F176 WeakPolarHBondContact CG1-O 3.27Å; V174-E178 HydrophobicContact CG1-CB 4.03Å; V174-E178 HydrophobicContact CG1-CG 3.95Å; V174-E178 HydrophobicContact CG2-CB 4.35Å; V174-E178 HydrophobicContact CG2-CG 4.35Å; V174-I187 HydrophobicContact CB-CG2 4.41Å; V174-I187 HydrophobicContact CG2-CB 4.19Å; V174-I187 HydrophobicContact CG2-CG2 3.7Å; V174-A190 WeakPolarHBondContact O-CA 3.36Å; V174-A190 PolarHBondContact O-N 3.15Å; V174-K191 WeakPolarHBondContact CB-O 3.46Å; V174-K191 WeakPolarHBondContact CG2-O 3.2Å; V174-K191 PolarHBondContact N-O 2.72Å; V174-M193 HydrophobicContact CG2-CB 3.59Å; V174-M193 HydrophobicContact CG2-CG 3.49Å; V174-M193 VanDerWaalsContact CG2-CG 3.49Å; V174-M193 HydrophobicContact CG2-SD 3.88Å
175F72.1Confident78Confident128 Ų12877.9 Ų77.956%0.56139%0.394SS*.SBendtrans-96.7-25.7174.4-61.9-77.9000113T173 F189T173-F175 HydrophobicContact CG2-CE1 4.36Å; T173-F175 HydrophobicContact CG2-CE2 4.3Å; T173-F175 HydrophobicContact CG2-CZ 4.02Å; T173-F175 WeakPolarHBondContact O-CD2 3.39Å; F175-F189 WeakPolarHBondContact O-CD2 3.48Å; F175-F189 VanDerWaalsContact O-CE2 3.3Å; F175-F189 WeakPolarHBondContact O-CE2 3.32Å
176F67.7Low79.2Confident180 Ų18081.6 Ų81.679%0.78941%0.405SS*.SBendtrans-120.6135.3176.3-67.2-84.6000107.7V174 E178V174-F176 WeakPolarHBondContact CG1-O 3.27Å; F176-E178 WeakPolarHBondContact O-CG 3.5Å; F176-E178 PolarHBondContact O-N 3.26Å
177G74.3Confident80.1Confident41 Ų4173 Ų7342%0.42337%0.368SS..  trans-54.1106.6-170.100000113.2
178E83.1Confident80.5Confident53 Ų5372.7 Ų72.725%0.24837%0.374CS..EExtended strand (participates in β ladder)trans-96.8153174.7-66.1-74.4-168.600109.5V174 F176 R186 I187 M193 K202V174-E178 HydrophobicContact CG1-CB 4.03Å; V174-E178 HydrophobicContact CG1-CG 3.95Å; V174-E178 HydrophobicContact CG2-CB 4.35Å; V174-E178 HydrophobicContact CG2-CG 4.35Å; F176-E178 WeakPolarHBondContact O-CG 3.5Å; F176-E178 PolarHBondContact O-N 3.26Å; E178-R186 WeakPolarHBondContact O-CG 3.11Å; E178-I187 HydrophobicContact CB-CD1 4.29Å; E178-I187 WeakPolarHBondContact O-CB 3.39Å; E178-I187 PolarHBondContact O-N 3.26Å; E178-M193 HydrophobicContact CB-SD 4.23Å; E178-M193 HydrophobicContact CG-CE 4.34Å; E178-M193 HydrophobicContact CG-SD 3.97Å; E178-K202 HydrophobicContact CG-CD 4.42Å; E178-K202 IonicContact OE1-NZ 2.66Å; E178-K202 PolarHBondContact OE1-NZ 3.44Å; E178-K202 WeakPolarHBondContact OE2-CD 3.48Å; E178-K202 IonicContact OE2-NZ 2.58Å; E178-K202 PolarHBondContact OE2-NZ 3.41Å
179T83.8Confident80.8Confident71 Ų7173.9 Ų73.944%0.43638%0.379SS..EExtended strand (participates in β ladder)trans-108.4135.1175.4-54.70000109.4E181 S184T179-E181 PolarHBondContact O-N 2.88Å; T179-S184 VanDerWaalsContact CG2-O 3.32Å; T179-S184 WeakPolarHBondContact CG2-O 3.06Å
180C84.6Confident80.7Confident0 Ų075.2 Ų75.20%040%0.396CS..  trans-71.5126.2174.5170.30000110V182 S184 K185 I187 M203 H204 C207C180-V182 VanDerWaalsContact C-N 3.26Å; C180-V182 PolarHBondContact O-N 2.97Å; C180-V182 PolarHBondContact SG-N 2.87Å; C180-V182 VanDerWaalsContact SG-N 3.43Å; C180-S184 WeakPolarHBondContact O-CA 3.48Å; C180-S184 PolarHBondContact O-N 3.36Å; C180-K185 WeakPolarHBondContact CB-O 2.91Å; C180-K185 PolarHBondContact N-O 3.19Å; C180-I187 HydrophobicContact CB-CD1 4.17Å; C180-I187 HydrophobicContact CB-CG1 3.94Å; C180-M203 WeakPolarHBondContact SG-CA 3.22Å; C180-H204 WeakPolarHBondContact CB-CE1 3.49Å; C180-H204 WeakPolarHBondContact CB-ND1 3.29Å; C180-H204 PolarHBondContact SG-N 2.93Å; C180-H204 VanDerWaalsContact SG-N 3.35Å; C180-H204 PolarHBondContact SG-ND1 3.42Å; C180-H204 VanDerWaalsContact SG-ND1 3.37Å; C180-C207 VanDerWaalsContact SG-SG 3.7Å
181E78.3Confident80.8Confident47 Ų4778.6 Ų78.622%0.2241%0.41CS..THydrogen-bonded Turntrans-73.7-16.4-177.1-64.7-179-130.700113.2T179 V201 K202 F212 R281T179-E181 PolarHBondContact O-N 2.88Å; E181-V201 HydrophobicContact CB-CG2 3.75Å; E181-V201 VanDerWaalsContact CD-CG2 3.47Å; E181-V201 HydrophobicContact CG-CG2 4.12Å; E181-V201 WeakPolarHBondContact OE1-CA 3.23Å; E181-V201 WeakPolarHBondContact OE2-CG2 3.47Å; E181-K202 WeakPolarHBondContact CB-O 3.4Å; E181-K202 WeakPolarHBondContact CG-O 3.36Å; E181-K202 PolarHBondContact N-O 2.98Å; E181-K202 PolarHBondContact OE1-N 3.01Å; E181-F212 HydrophobicContact CB-CZ 4.28Å; E181-F212 WeakPolarHBondContact O-CE2 3.32Å; E181-R281 VanDerWaalsContact OE1-CD 3.27Å; E181-R281 WeakPolarHBondContact OE1-CD 3.28Å; E181-R281 IonicContact OE1-CZ 2.66Å; E181-R281 IonicContact OE1-NE 3.97Å; E181-R281 PolarHBondContact OE1-NE 3.01Å
182V80.9Confident80.7Confident33 Ų3376.7 Ų76.720%0.240%0.397CS..THydrogen-bonded Turntrans-82.4-56.8178.3-178.40000112.3C180 M203 C207 S210 F212C180-V182 VanDerWaalsContact C-N 3.26Å; C180-V182 PolarHBondContact O-N 2.97Å; C180-V182 PolarHBondContact SG-N 2.87Å; C180-V182 VanDerWaalsContact SG-N 3.43Å; V182-M203 HydrophobicContact CG2-CB 3.83Å; V182-M203 HydrophobicContact CG2-CE 3.59Å; V182-M203 HydrophobicContact CG2-SD 3.98Å; V182-C207 HydrophobicContact CB-CB 3.78Å; V182-C207 HydrophobicContact CG1-CB 3.98Å; V182-C207 HydrophobicContact CG2-CB 3.99Å; V182-S210 WeakPolarHBondContact CG1-OG 3.49Å; V182-F212 HydrophobicContact CB-CD2 4.48Å; V182-F212 HydrophobicContact CG2-CB 3.98Å; V182-F212 HydrophobicContact CG2-CD2 4.02Å; V182-F212 HydrophobicContact CG2-CG 3.96Å
183C83.9Confident81Confident47 Ų4772.4 Ų72.432%0.31838%0.378SS..THydrogen-bonded Turntrans-96.3-2.6-17768.40000113.8K185 H204C183-K185 PolarHBondContact O-N 3.38Å; C183-K185 PolarHBondContact SG-N 2.81Å; C183-H204 PolarHBondContact SG-CE1 2.98Å; C183-H204 PolarHBondContact SG-ND1 2.97Å
184S80.5Confident81.3Confident97 Ų9770.3 Ų70.368%0.67837%0.365SS*.  trans5710-174.8-52.70000115.3T179 C180T179-S184 VanDerWaalsContact CG2-O 3.32Å; T179-S184 WeakPolarHBondContact CG2-O 3.06Å; C180-S184 WeakPolarHBondContact O-CA 3.48Å; C180-S184 PolarHBondContact O-N 3.36Å
185K88.4Confident81.7Confident150 Ų15074.3 Ų74.365%0.65238%0.38SS*.PPolyproline II helixtrans-89.2152.6175.7-61177.6-177.6179.60111C180 C183 H204C180-K185 WeakPolarHBondContact CB-O 2.91Å; C180-K185 PolarHBondContact N-O 3.19Å; C183-K185 PolarHBondContact O-N 3.38Å; C183-K185 PolarHBondContact SG-N 2.81Å; K185-H204 PolarHBondContact O-CE1 3.24Å
186R86Confident82Confident183 Ų18368.3 Ų68.369%0.69135%0.353SS*.EExtended strand (participates in β ladder)trans-65.8139.1178.5-151.5176.8-146.7-153.65.5111.4E178 H204E178-R186 WeakPolarHBondContact O-CG 3.11Å; R186-H204 PolarHBondContact O-NE2 2.88Å; R186-H204 VanDerWaalsContact O-NE2 3.14Å
187I85.6Confident82.1Confident1 Ų164.7 Ų64.71%0.00534%0.342CS..EExtended strand (participates in β ladder)trans-84.5121.6168.7-47.2-179.6000106.8V174 E178 C180 K191 M193V174-I187 HydrophobicContact CB-CG2 4.41Å; V174-I187 HydrophobicContact CG2-CB 4.19Å; V174-I187 HydrophobicContact CG2-CG2 3.7Å; E178-I187 HydrophobicContact CB-CD1 4.29Å; E178-I187 WeakPolarHBondContact O-CB 3.39Å; E178-I187 PolarHBondContact O-N 3.26Å; C180-I187 HydrophobicContact CB-CD1 4.17Å; C180-I187 HydrophobicContact CB-CG1 3.94Å; I187-K191 HydrophobicContact CG2-CB 4.26Å; I187-M193 HydrophobicContact CD1-CB 3.56Å; I187-M193 HydrophobicContact CD1-SD 4.45Å; I187-M193 HydrophobicContact CG2-CB 4.26Å
188G82.6Confident81.5Confident28 Ų2865.2 Ų65.229%0.28934%0.335SS..PPolyproline II helixtrans-60.8152.9-175.700000112.7K191G188-K191 WeakPolarHBondContact O-CB 3.47Å; G188-K191 PolarHBondContact O-N 2.82Å; G188-K191 VanDerWaalsContact O-N 3.16Å
189F85.7Confident80.7Confident159 Ų15963.4 Ų63.470%0.69733%0.328SS*.THydrogen-bonded Turntrans-54.4140.4171.7180-97.8000110.7F175 K191F175-F189 WeakPolarHBondContact O-CD2 3.48Å; F175-F189 VanDerWaalsContact O-CE2 3.3Å; F175-F189 WeakPolarHBondContact O-CE2 3.32Å; F189-K191 PolarHBondContact O-N 3.05Å
190A80Confident80.2Confident58 Ų5860.4 Ų60.448%0.47931%0.311SS..THydrogen-bonded Turntrans58.84.6-176.300000116V174V174-A190 WeakPolarHBondContact O-CA 3.36Å; V174-A190 PolarHBondContact O-N 3.15Å
191K86.4Confident79.8Confident132 Ų13260.7 Ų60.757%0.57431%0.313SS*.PPolyproline II helixtrans-79.5151.7172.6-64.5-167.9175.9-175.30110.9V174 I187 G188 F189V174-K191 WeakPolarHBondContact CB-O 3.46Å; V174-K191 WeakPolarHBondContact CG2-O 3.2Å; V174-K191 PolarHBondContact N-O 2.72Å; I187-K191 HydrophobicContact CG2-CB 4.26Å; G188-K191 WeakPolarHBondContact O-CB 3.47Å; G188-K191 PolarHBondContact O-N 2.82Å; G188-K191 VanDerWaalsContact O-N 3.16Å; F189-K191 PolarHBondContact O-N 3.05Å
192V83.5Confident80.1Confident51 Ų5159.6 Ų59.631%0.30931%0.308SS..EExtended strand (participates in β ladder)trans-78.4123.2174.5-177.50000109.5P171 Q205P171-V192 HydrophobicContact CB-CG1 3.56Å; V192-Q205 HydrophobicContact CB-CG 4.42Å; V192-Q205 HydrophobicContact CG1-CG 4.27Å
193M84.1Confident80.3Confident2 Ų258.1 Ų58.11%0.0130%0.298CS..EExtended strand (participates in β ladder)trans-99.2155.2165.967.9165.3178.200110.8P171 K172 V174 E178 I187 K202 M203P171-M193 CarbonylContact C-O 3.54Å; P171-M193 WeakPolarHBondContact CA-O 3.44Å; K172-M193 HydrophobicContact CB-CE 3.94Å; K172-M193 HydrophobicContact CB-CG 4.24Å; K172-M193 HydrophobicContact CD-CE 3.67Å; K172-M193 HydrophobicContact CG-CE 3.87Å; K172-M193 PolarHBondContact N-O 3.27Å; K172-M193 WeakPolarHBondContact O-CG 3.38Å; K172-M193 PolarHBondContact O-N 3.47Å; V174-M193 HydrophobicContact CG2-CB 3.59Å; V174-M193 HydrophobicContact CG2-CG 3.49Å; V174-M193 VanDerWaalsContact CG2-CG 3.49Å; V174-M193 HydrophobicContact CG2-SD 3.88Å; E178-M193 HydrophobicContact CB-SD 4.23Å; E178-M193 HydrophobicContact CG-CE 4.34Å; E178-M193 HydrophobicContact CG-SD 3.97Å; I187-M193 HydrophobicContact CD1-CB 3.56Å; I187-M193 HydrophobicContact CD1-SD 4.45Å; I187-M193 HydrophobicContact CG2-CB 4.26Å; M193-K202 HydrophobicContact CE-CD 4.21Å; M193-K202 HydrophobicContact SD-CB 4.04Å; M193-K202 HydrophobicContact SD-CD 3.85Å; M193-K202 HydrophobicContact SD-CG 4.03Å; M193-M203 WeakPolarHBondContact CA-O 3.43Å
194L84.8Confident80.6Confident13 Ų1357.3 Ų57.37%0.06829%0.29CS..EExtended strand (participates in β ladder)trans-96.6130.5168.2-62.3179.6000109.1F169 P171 K202 M203 Q205 R208F169-L194 HydrophobicContact CB-CB 4.12Å; F169-L194 HydrophobicContact CB-CD2 4.41Å; F169-L194 HydrophobicContact CD1-CB 3.82Å; F169-L194 HydrophobicContact CE1-CB 4.5Å; F169-L194 HydrophobicContact CG-CB 4.04Å; F169-L194 HydrophobicContact CG-CD1 4.5Å; P171-L194 HydrophobicContact CB-CD2 4.49Å; L194-K202 CarbonylContact O-C 3.55Å; L194-K202 VanDerWaalsContact O-CA 3.29Å; L194-K202 WeakPolarHBondContact O-CA 3.32Å; L194-M203 HydrophobicContact CB-CG 3.93Å; L194-M203 PolarHBondContact N-O 3.38Å; L194-M203 PolarHBondContact O-N 3.38Å; L194-Q205 HydrophobicContact CD2-CG 4.18Å; L194-Q205 HydrophobicContact CG-CG 4.12Å; L194-R208 HydrophobicContact CD1-CB 3.62Å; L194-R208 HydrophobicContact CD1-CG 3.74Å
195R80.4Confident81Confident87 Ų8757.9 Ų57.933%0.32828%0.282SS..EExtended strand (participates in β ladder)trans-121.2130.4174.1-178.8172.7171.6-171.31.9110.4F169 F170 V201 K202F169-R195 CarbonylContact C-O 3.56Å; F169-R195 WeakPolarHBondContact CA-O 3.4Å; F170-R195 HydrophobicContact CD1-CB 4.17Å; F170-R195 WeakPolarHBondContact CD1-O 3.15Å; F170-R195 HydrophobicContact CE1-CB 3.7Å; F170-R195 HydrophobicContact CE1-CG 3.64Å; F170-R195 WeakPolarHBondContact CE1-O 3.42Å; F170-R195 HydrophobicContact CE2-CB 4.34Å; F170-R195 HydrophobicContact CZ-CB 3.82Å; F170-R195 HydrophobicContact CZ-CG 3.81Å; F170-R195 PolarHBondContact N-O 3.21Å; F170-R195 PolarHBondContact O-N 3.01Å; R195-V201 CarbonylContact C-O 3.55Å; R195-V201 VanDerWaalsContact CA-O 3.28Å; R195-V201 WeakPolarHBondContact CA-O 3.33Å; R195-K202 HydrophobicContact CG-CG 4.46Å
196C77.4Confident80.8Confident1 Ų159.3 Ų59.31%0.00729%0.291CS..EExtended strand (participates in β ladder)trans-77.3134.1176.7-1780000111.1H167 F168 F169 C199 G200 V201H167-C196 HydrophobicContact CB-CB 4.07Å; H167-C196 PolarHBondContact ND1-SG 3.44Å; H167-C196 VanDerWaalsContact ND1-SG 3.44Å; F168-C196 CarbonylContact O-C 3.57Å; F168-C196 WeakPolarHBondContact O-CA 3.1Å; F169-C196 HydrophobicContact CD1-CB 4Å; F169-C196 HydrophobicContact CE1-CB 3.87Å; C196-C199 WeakPolarHBondContact CB-SG 3.44Å; C196-G200 WeakPolarHBondContact O-CA 3.25Å; C196-G200 PolarHBondContact O-N 3.28Å; C196-V201 HydrophobicContact CB-CG1 3.72Å; C196-V201 PolarHBondContact N-O 3.25Å
197L70Confident80.9Confident105 Ų10551.4 Ų51.455%0.5526%0.264SS..THydrogen-bonded Turntrans-69.1-35176.9-78.4170.9000112.7F168 F170F168-L197 HydrophobicContact CD1-CB 4.2Å; F168-L197 HydrophobicContact CD1-CD1 3.37Å; F168-L197 HydrophobicContact CD1-CG 4.21Å; F168-L197 HydrophobicContact CE1-CD1 3.42Å; F168-L197 VanDerWaalsContact CE1-CD1 3.42Å; F168-L197 PolarHBondContact O-N 2.84Å; F170-L197 HydrophobicContact CD1-CD1 4.48Å; F170-L197 HydrophobicContact CD1-CD2 3.57Å; F170-L197 HydrophobicContact CD1-CG 3.61Å; F170-L197 HydrophobicContact CE1-CD2 3.55Å; F170-L197 HydrophobicContact CE1-CG 4Å; F170-L197 HydrophobicContact CG-CD2 4.44Å; F170-L197 HydrophobicContact CZ-CD2 4.42Å
198D61.6Low80.6Confident51 Ų5158.3 Ų58.327%0.27329%0.29SS..THydrogen-bonded Turntrans-81.4-50.2-174.2-71.8-38.3000112.4K165 C215 P217 R218K165-D198 WeakPolarHBondContact CE-OD2 3.23Å; K165-D198 VanDerWaalsContact NZ-CG 3.3Å; K165-D198 IonicContact NZ-OD1 3.33Å; K165-D198 PolarHBondContact NZ-OD1 3.34Å; K165-D198 IonicContact NZ-OD2 3.96Å; K165-D198 PolarHBondContact NZ-OD2 3.43Å; D198-C215 WeakPolarHBondContact CB-SG 3.19Å; D198-P217 HydrophobicContact CB-CB 4.12Å; D198-P217 HydrophobicContact CB-CG 4.13Å; D198-P217 CarbonylContact O-C 3.58Å; D198-P217 VanDerWaalsContact O-CA 3.23Å; D198-P217 WeakPolarHBondContact O-CA 3.47Å; D198-R218 PolarHBondContact O-N 3.2Å
199C66Low80.3Confident15 Ų1564.1 Ų64.110%0.10131%0.314CS..THydrogen-bonded Turntrans-106-17.8-174.2760000114.1H167 C196 V201 V216 R218H167-C199 PolarHBondContact CE1-SG 2.7Å; H167-C199 PolarHBondContact ND1-SG 2.69Å; C196-C199 WeakPolarHBondContact CB-SG 3.44Å; C199-V201 VanDerWaalsContact SG-CG1 3.59Å; C199-V201 PolarHBondContact SG-N 3.46Å; C199-V201 VanDerWaalsContact SG-N 3.39Å; C199-V216 WeakPolarHBondContact CB-O 3.48Å; C199-R218 WeakPolarHBondContact O-CD 3.08Å; C199-R218 PolarHBondContact O-NE 2.96Å
200G72.6Confident79.7Confident9 Ų959.7 Ų59.79%0.09330%0.303CS..  trans789.6-178.800000116.5C196 R281C196-G200 WeakPolarHBondContact O-CA 3.25Å; C196-G200 PolarHBondContact O-N 3.28Å; G200-R281 PolarHBondContact O-NH2 2.79Å
201V77.6Confident78.8Confident6 Ų662.1 Ų62.14%0.03631%0.308CS..  trans-59.3141.9175.274.60000110.5F169 E181 R195 C196 C199 M203 F212F169-V201 HydrophobicContact CE1-CG1 3.64Å; F169-V201 HydrophobicContact CZ-CG1 4.11Å; E181-V201 HydrophobicContact CB-CG2 3.75Å; E181-V201 VanDerWaalsContact CD-CG2 3.47Å; E181-V201 HydrophobicContact CG-CG2 4.12Å; E181-V201 WeakPolarHBondContact OE1-CA 3.23Å; E181-V201 WeakPolarHBondContact OE2-CG2 3.47Å; R195-V201 CarbonylContact C-O 3.55Å; R195-V201 VanDerWaalsContact CA-O 3.28Å; R195-V201 WeakPolarHBondContact CA-O 3.33Å; C196-V201 HydrophobicContact CB-CG1 3.72Å; C196-V201 PolarHBondContact N-O 3.25Å; C199-V201 VanDerWaalsContact SG-CG1 3.59Å; C199-V201 PolarHBondContact SG-N 3.46Å; C199-V201 VanDerWaalsContact SG-N 3.39Å; V201-M203 HydrophobicContact CG1-CE 3.98Å; V201-M203 HydrophobicContact CG2-CE 4.28Å; V201-F212 HydrophobicContact CG2-CD1 4.3Å; V201-F212 HydrophobicContact CG2-CE1 3.59Å; V201-F212 HydrophobicContact CG2-CZ 4.06Å
202K84.4Confident77.8Confident23 Ų2358.5 Ų58.510%0.129%0.292CS..EExtended strand (participates in β ladder)trans-115.7134.3178.1-55.9177.2-165.8176.20111.3E178 E181 M193 L194 R195E178-K202 HydrophobicContact CG-CD 4.42Å; E178-K202 IonicContact OE1-NZ 2.66Å; E178-K202 PolarHBondContact OE1-NZ 3.44Å; E178-K202 WeakPolarHBondContact OE2-CD 3.48Å; E178-K202 IonicContact OE2-NZ 2.58Å; E178-K202 PolarHBondContact OE2-NZ 3.41Å; E181-K202 WeakPolarHBondContact CB-O 3.4Å; E181-K202 WeakPolarHBondContact CG-O 3.36Å; E181-K202 PolarHBondContact N-O 2.98Å; E181-K202 PolarHBondContact OE1-N 3.01Å; M193-K202 HydrophobicContact CE-CD 4.21Å; M193-K202 HydrophobicContact SD-CB 4.04Å; M193-K202 HydrophobicContact SD-CD 3.85Å; M193-K202 HydrophobicContact SD-CG 4.03Å; L194-K202 CarbonylContact O-C 3.55Å; L194-K202 VanDerWaalsContact O-CA 3.29Å; L194-K202 WeakPolarHBondContact O-CA 3.32Å; R195-K202 HydrophobicContact CG-CG 4.46Å
203M85.6Confident77.1Confident2 Ų260.6 Ų60.61%0.0130%0.299CS..EExtended strand (participates in β ladder)trans-149.9163.2179.262.8-177.164.100113.5F169 C180 V182 M193 L194 V201 C207 F212F169-M203 HydrophobicContact CE1-CE 3.66Å; F169-M203 HydrophobicContact CE1-CG 4.18Å; F169-M203 HydrophobicContact CE1-SD 3.87Å; F169-M203 HydrophobicContact CE2-CE 4.26Å; F169-M203 HydrophobicContact CE2-SD 3.99Å; F169-M203 HydrophobicContact CZ-CE 3.25Å; F169-M203 HydrophobicContact CZ-CG 4.35Å; F169-M203 HydrophobicContact CZ-SD 3.44Å; F169-M203 WeakPolarHBondContact CZ-SD 3.25Å; C180-M203 WeakPolarHBondContact SG-CA 3.22Å; V182-M203 HydrophobicContact CG2-CB 3.83Å; V182-M203 HydrophobicContact CG2-CE 3.59Å; V182-M203 HydrophobicContact CG2-SD 3.98Å; M193-M203 WeakPolarHBondContact CA-O 3.43Å; L194-M203 HydrophobicContact CB-CG 3.93Å; L194-M203 PolarHBondContact N-O 3.38Å; L194-M203 PolarHBondContact O-N 3.38Å; V201-M203 HydrophobicContact CG1-CE 3.98Å; V201-M203 HydrophobicContact CG2-CE 4.28Å; M203-C207 HydrophobicContact CB-CB 4.16Å; M203-F212 HydrophobicContact CE-CD1 4.48Å
204H90.3Very high76.4Confident31 Ų3162.7 Ų62.714%0.14431%0.31CS..EExtended strand (participates in β ladder)trans-62.7152168.3-60.4105.9000110.2C180 C183 K185 R186 Q206 C207C180-H204 WeakPolarHBondContact CB-CE1 3.49Å; C180-H204 WeakPolarHBondContact CB-ND1 3.29Å; C180-H204 PolarHBondContact SG-N 2.93Å; C180-H204 VanDerWaalsContact SG-N 3.35Å; C180-H204 PolarHBondContact SG-ND1 3.42Å; C180-H204 VanDerWaalsContact SG-ND1 3.37Å; C183-H204 PolarHBondContact SG-CE1 2.98Å; C183-H204 PolarHBondContact SG-ND1 2.97Å; K185-H204 PolarHBondContact O-CE1 3.24Å; R186-H204 PolarHBondContact O-NE2 2.88Å; R186-H204 VanDerWaalsContact O-NE2 3.14Å; H204-Q206 HydrophobicContact CB-CB 4.47Å; H204-Q206 PolarHBondContact O-N 3.44Å; H204-C207 HydrophobicContact CB-CB 4.19Å; H204-C207 PolarHBondContact O-N 3.43Å
205Q87.7Confident75.3Confident108 Ų10862.4 Ų62.451%0.50531%0.309SS..G310 helixtrans-54.4-38.3169.3-75.2-178.2-23.600112.2V192 L194 C207 R208V192-Q205 HydrophobicContact CB-CG 4.42Å; V192-Q205 HydrophobicContact CG1-CG 4.27Å; L194-Q205 HydrophobicContact CD2-CG 4.18Å; L194-Q205 HydrophobicContact CG-CG 4.12Å; Q205-C207 PolarHBondContact O-N 3.44Å; Q205-R208 VanDerWaalsContact O-CB 3.31Å; Q205-R208 WeakPolarHBondContact O-CB 3.28Å; Q205-R208 PolarHBondContact O-N 3.23Å
206Q85.3Confident74.5Confident181 Ų18160.3 Ų60.385%0.84631%0.306SS*.G310 helixtrans-66.9-23.4177.9-53.3172.4600113.1H204 R208H204-Q206 HydrophobicContact CB-CB 4.47Å; H204-Q206 PolarHBondContact O-N 3.44Å; Q206-R208 VanDerWaalsContact C-N 3.34Å
207C86.8Confident73.7Confident17 Ų1762.7 Ų62.712%0.11532%0.321CS..G310 helixtrans-90.62.3-178.5-68.60000113.1C180 V182 M203 H204 Q205 D209 S210C180-C207 VanDerWaalsContact SG-SG 3.7Å; V182-C207 HydrophobicContact CB-CB 3.78Å; V182-C207 HydrophobicContact CG1-CB 3.98Å; V182-C207 HydrophobicContact CG2-CB 3.99Å; M203-C207 HydrophobicContact CB-CB 4.16Å; H204-C207 HydrophobicContact CB-CB 4.19Å; H204-C207 PolarHBondContact O-N 3.43Å; Q205-C207 PolarHBondContact O-N 3.44Å; C207-D209 VanDerWaalsContact C-N 3.34Å; C207-D209 PolarHBondContact O-N 3.47Å; C207-S210 WeakPolarHBondContact O-CB 3.27Å; C207-S210 PolarHBondContact O-N 3.17Å
208R80.7Confident72.9Confident145 Ų14563.3 Ų63.355%0.54732%0.316SS..THydrogen-bonded Turntrans-57-44.4-175.5-173.8-177.6-174176.91.3113.4F169 L194 Q205 Q206F169-R208 HydrophobicContact CD2-CG 4.31Å; F169-R208 HydrophobicContact CE2-CG 4.43Å; L194-R208 HydrophobicContact CD1-CB 3.62Å; L194-R208 HydrophobicContact CD1-CG 3.74Å; Q205-R208 VanDerWaalsContact O-CB 3.31Å; Q205-R208 WeakPolarHBondContact O-CB 3.28Å; Q205-R208 PolarHBondContact O-N 3.23Å; Q206-R208 VanDerWaalsContact C-N 3.34Å
209D75.3Confident72.4Confident151 Ų15164.9 Ų64.981%0.80733%0.328SS*.THydrogen-bonded Turntrans-95.97.2-172.8-56.4-43.3000112.5C207C207-D209 VanDerWaalsContact C-N 3.34Å; C207-D209 PolarHBondContact O-N 3.47Å
210S73.4Confident71.3Confident66 Ų6668.6 Ų68.646%0.46236%0.359SS..SBendtrans-73.1142.3174.6-1620000110.3V182 C207 F212V182-S210 WeakPolarHBondContact CG1-OG 3.49Å; C207-S210 WeakPolarHBondContact O-CB 3.27Å; C207-S210 PolarHBondContact O-N 3.17Å; S210-F212 PolarHBondContact O-N 3.27Å
211D61.4Low69.7Low109 Ų10974.1 Ų74.158%0.58339%0.387SS*.  trans-68.273.4178.9-120.1-8.6000111R235D211-R235 IonicContact OD2-CZ 3.2Å; D211-R235 IonicContact OD2-NE 3.02Å; D211-R235 PolarHBondContact OD2-NE 3.34Å; D211-R235 IonicContact OD2-NH2 2.77Å; D211-R235 PolarHBondContact OD2-NH2 3.09Å
212F65.6Low67.9Low55 Ų5580.9 Ų80.924%0.24142%0.416CS..PPolyproline II helixtrans-93.4164.6174.3-173.9-101.6000110.8E181 V182 V201 M203 S210E181-F212 HydrophobicContact CB-CZ 4.28Å; E181-F212 WeakPolarHBondContact O-CE2 3.32Å; V182-F212 HydrophobicContact CB-CD2 4.48Å; V182-F212 HydrophobicContact CG2-CB 3.98Å; V182-F212 HydrophobicContact CG2-CD2 4.02Å; V182-F212 HydrophobicContact CG2-CG 3.96Å; V201-F212 HydrophobicContact CG2-CD1 4.3Å; V201-F212 HydrophobicContact CG2-CE1 3.59Å; V201-F212 HydrophobicContact CG2-CZ 4.06Å; M203-F212 HydrophobicContact CE-CD1 4.48Å; S210-F212 PolarHBondContact O-N 3.27Å
213Q67.6Low66Low96 Ų9689.1 Ų89.145%0.44945%0.451SS..PPolyproline II helixtrans-49.8143.9179.1-69.7-178.8-56.200112.5H167H167-Q213 PolarHBondContact NE2-O 3.28Å
214N68.9Low64.3Low45 Ų4592.5 Ų92.524%0.24148%0.475CS..PPolyproline II helixtrans-57.2155.3175.7-68.4-30.9000112.2V216 I232N214-V216 PolarHBondContact O-N 3.42Å; N214-I232 PolarHBondContact ND2-O 3.14Å
215C61.8Low62.9Low8 Ų898.6 Ų98.65%0.05450%0.497CS..  trans-72.7112.4-178.2-177.40000112.1K165 H167 D198 P217K165-C215 WeakPolarHBondContact O-CB 3.32Å; K165-C215 PolarHBondContact O-N 3.37Å; H167-C215 HydrophobicContact CB-CB 4.32Å; H167-C215 VanDerWaalsContact CE1-CA 3.42Å; H167-C215 WeakPolarHBondContact CE1-CA 3.38Å; H167-C215 WeakPolarHBondContact ND1-CB 3.27Å; D198-C215 WeakPolarHBondContact CB-SG 3.19Å; C215-P217 WeakPolarHBondContact O-CD 3.45Å
216V65.1Low62.1Low42 Ų4294.7 Ų94.726%0.25548%0.477SS..  trans-105.9106.1173.9-163.70000110.3C199 N214 R218 R226 D230C199-V216 WeakPolarHBondContact CB-O 3.48Å; N214-V216 PolarHBondContact O-N 3.42Å; V216-R218 PolarHBondContact O-N 3.24Å; V216-R226 VanDerWaalsContact CG1-CZ 3.42Å; V216-D230 HydrophobicContact CG1-CB 4.49Å; V216-D230 VanDerWaalsContact CG2-O 3.25Å; V216-D230 WeakPolarHBondContact CG2-O 3.43Å
217P59.8Low61.8Low51 Ų5191.5 Ų91.533%0.33146%0.457SS..  trans-65.5132.6-172.7-20.731.6000114D198 C215 V219 R226D198-P217 HydrophobicContact CB-CB 4.12Å; D198-P217 HydrophobicContact CB-CG 4.13Å; D198-P217 CarbonylContact O-C 3.58Å; D198-P217 VanDerWaalsContact O-CA 3.23Å; D198-P217 WeakPolarHBondContact O-CA 3.47Å; C215-P217 WeakPolarHBondContact O-CD 3.45Å; P217-V219 PolarHBondContact O-N 3.47Å; P217-V219 VanDerWaalsContact O-N 3.13Å; P217-R226 PolarHBondContact O-NH2 2.77Å
218R53.8Low61.7Low118 Ų11891.4 Ų91.445%0.44546%0.455SS..  trans-81.785.4176.1-69.8-177.4-173.2-137.4-11.9110D198 C199 V216 A220 Y279D198-R218 PolarHBondContact O-N 3.2Å; C199-R218 WeakPolarHBondContact O-CD 3.08Å; C199-R218 PolarHBondContact O-NE 2.96Å; V216-R218 PolarHBondContact O-N 3.24Å; R218-A220 PolarHBondContact O-N 3.43Å; R218-Y279 VanDerWaalsContact CZ-O 3.28Å; R218-Y279 PolarHBondContact NH1-O 3.48Å; R218-Y279 PolarHBondContact NH2-O 3.16Å
219V50.8Low61.6Low85 Ų8587.3 Ų87.352%0.51544%0.443SS..  trans-73.3117.3162.1-130.70000107P217 N221P217-V219 PolarHBondContact O-N 3.47Å; P217-V219 VanDerWaalsContact O-N 3.13Å; V219-N221 PolarHBondContact O-N 2.85Å
220A41.8Very low61.8Low93 Ų9382.7 Ų82.777%0.76942%0.419SS*.SBendtrans-64.51-174.900000114.7R218R218-A220 PolarHBondContact O-N 3.43Å
221N39.5Very low62.3Low124 Ų12481.9 Ų81.966%0.66341%0.406SS*.  trans-96.1109.2175.6-75-22.5000110.2V219 K223 C224V219-N221 PolarHBondContact O-N 2.85Å; N221-K223 PolarHBondContact O-N 3.19Å; N221-C224 PolarHBondContact O-N 2.95Å
222F40.4Very low63.4Low149 Ų14977.4 Ų77.465%0.65438%0.382SS*.THydrogen-bonded Turntrans-47-8.5170.2-76.8-91.3000115.9Y275 Y279F222-Y275 AromaticContact CE1-CD2 3.72Å; F222-Y275 HydrophobicContact CE1-CD2 3.72Å; F222-Y275 AromaticContact CE1-CE2 3.67Å; F222-Y275 HydrophobicContact CE1-CE2 3.67Å; F222-Y275 HydrophobicContact CZ-CD2 4.2Å; F222-Y275 AromaticContact CZ-CE2 3.69Å; F222-Y275 HydrophobicContact CZ-CE2 3.69Å; F222-Y279 HydrophobicContact CE1-CE2 4.49Å
223K44.1Very low64Low195 Ų19576 Ų7685%0.84838%0.378SS*.THydrogen-bonded Turntrans-99.3-6.7-175-68.4-170.8177.6-176.30115N221 R225N221-K223 PolarHBondContact O-N 3.19Å; K223-R225 VanDerWaalsContact C-N 3.31Å; K223-R225 PolarHBondContact O-N 3.01Å
224C49.6Very low64.3Low74 Ų7474.1 Ų74.150%0.537%0.374SS..  trans-78.589.6171.2-163.10000107.9N221 R226N221-C224 PolarHBondContact O-N 2.95Å; C224-R226 PolarHBondContact O-N 3.45Å
225R60.5Low64.7Low159 Ų15980.2 Ų80.260%0.639%0.394SS*.  trans-48.7139.3163.1-67.8-171.3-176.7-174.81.1107K223 Q305 V307K223-R225 VanDerWaalsContact C-N 3.31Å; K223-R225 PolarHBondContact O-N 3.01Å; R225-Q305 WeakPolarHBondContact CB-O 3.24Å; R225-Q305 WeakPolarHBondContact CG-O 3.35Å; R225-V307 HydrophobicContact CB-CB 4.35Å; R225-V307 HydrophobicContact CB-CG2 3.63Å; R225-V307 WeakPolarHBondContact O-CG2 3.4Å
226R71.2Confident65.4Low26 Ų2684.2 Ų84.210%0.09841%0.412CS..BIsolated β-bridgetrans-107.5157.2-180-72.4-171.2-178.4157.1-3.3110.6V216 P217 C224 D230 Y231 L306 V307V216-R226 VanDerWaalsContact CG1-CZ 3.42Å; P217-R226 PolarHBondContact O-NH2 2.77Å; C224-R226 PolarHBondContact O-N 3.45Å; R226-D230 HydrophobicContact CB-CB 4.31Å; R226-D230 WeakPolarHBondContact CB-OD2 3.33Å; R226-Y231 HydrophobicContact CB-CE2 3.73Å; R226-Y231 WeakPolarHBondContact CB-OH 3.46Å; R226-Y231 WeakPolarHBondContact CD-OH 3.46Å; R226-L306 CarbonylContact O-C 3.52Å; R226-L306 VanDerWaalsContact O-CA 3.31Å; R226-L306 WeakPolarHBondContact O-CA 3.49Å; R226-V307 PolarHBondContact O-N 3.31Å
227R79.3Confident66.4Low114 Ų11484.4 Ų84.443%0.4341%0.414SS..  trans-82.4157.4176.9-68.5179.9-64.2-179.84.1109.2M229 D230 Y231 V307R227-M229 HydrophobicContact CB-CG 3.72Å; R227-M229 HydrophobicContact CB-SD 3.93Å; R227-M229 HydrophobicContact CG-SD 4.47Å; R227-M229 PolarHBondContact NE-SD 3.14Å; R227-M229 PolarHBondContact NH2-SD 2.96Å; R227-M229 PolarHBondContact O-N 2.58Å; R227-D230 PolarHBondContact N-OD2 3.37Å; R227-D230 WeakPolarHBondContact O-CB 3.47Å; R227-D230 PolarHBondContact O-N 2.72Å; R227-D230 VanDerWaalsContact O-N 3.07Å; R227-Y231 WeakPolarHBondContact O-CD2 3.41Å; R227-V307 HydrophobicContact CG-CB 4.13Å; R227-V307 HydrophobicContact CG-CG2 4.18Å
228L85.1Confident67.8Low14 Ų1483.2 Ų83.27%0.07340%0.404CS..G310 helixtrans-52.6-42.1176.2178.360.2000111.5D230 Y231 I232 P240 F302 L306 L310 P346 T350L228-D230 PolarHBondContact O-N 3.06Å; L228-D230 VanDerWaalsContact O-N 3.08Å; L228-Y231 PolarHBondContact O-N 2.95Å; L228-I232 HydrophobicContact CD1-CD1 4.22Å; L228-I232 HydrophobicContact CG-CD1 4.12Å; L228-I232 WeakPolarHBondContact O-CG1 3.37Å; L228-P240 HydrophobicContact CD1-CG 3.64Å; L228-F302 HydrophobicContact CD1-CE1 4.47Å; L228-F302 HydrophobicContact CD1-CZ 4.32Å; L228-L306 HydrophobicContact CB-CD1 4.28Å; L228-L306 HydrophobicContact CD1-CD1 4.41Å; L228-L310 HydrophobicContact CD2-CD1 3.64Å; L228-P346 HydrophobicContact CD2-CB 4.16Å; L228-P346 HydrophobicContact CG-CB 4.36Å; L228-T350 HydrophobicContact CD1-CG2 4.41Å
229M78.6Confident69.5Low60 Ų6077.7 Ų77.730%0.29638%0.383SS..G310 helixtrans-54-26.7179.269.3-157-64.200114.9V162 R227 Y231 I232V162-M229 HydrophobicContact CB-CE 3.72Å; V162-M229 HydrophobicContact CG1-CE 3.52Å; R227-M229 HydrophobicContact CB-CG 3.72Å; R227-M229 HydrophobicContact CB-SD 3.93Å; R227-M229 HydrophobicContact CG-SD 4.47Å; R227-M229 PolarHBondContact NE-SD 3.14Å; R227-M229 PolarHBondContact NH2-SD 2.96Å; R227-M229 PolarHBondContact O-N 2.58Å; M229-Y231 PolarHBondContact O-N 3.17Å; M229-I232 PolarHBondContact O-N 2.76Å
230D79.5Confident71.4Confident53 Ų5373.7 Ų73.728%0.28336%0.359SS..G310 helixtrans-71.9-13.1-179.6-58.6-38.6000112.3V216 R226 R227 L228V216-D230 HydrophobicContact CG1-CB 4.49Å; V216-D230 VanDerWaalsContact CG2-O 3.25Å; V216-D230 WeakPolarHBondContact CG2-O 3.43Å; R226-D230 HydrophobicContact CB-CB 4.31Å; R226-D230 WeakPolarHBondContact CB-OD2 3.33Å; R227-D230 PolarHBondContact N-OD2 3.37Å; R227-D230 WeakPolarHBondContact O-CB 3.47Å; R227-D230 PolarHBondContact O-N 2.72Å; R227-D230 VanDerWaalsContact O-N 3.07Å; L228-D230 PolarHBondContact O-N 3.06Å; L228-D230 VanDerWaalsContact O-N 3.08Å
231Y83.9Confident73.6Confident49 Ų4973.7 Ų73.719%0.19234%0.342CS..G310 helixtrans-109.81.7-177-56.6-72.9000113.8R226 R227 L228 M229 P240 L278 F302 L306R226-Y231 HydrophobicContact CB-CE2 3.73Å; R226-Y231 WeakPolarHBondContact CB-OH 3.46Å; R226-Y231 WeakPolarHBondContact CD-OH 3.46Å; R227-Y231 WeakPolarHBondContact O-CD2 3.41Å; L228-Y231 PolarHBondContact O-N 2.95Å; M229-Y231 PolarHBondContact O-N 3.17Å; Y231-P240 WeakPolarHBondContact O-CA 3.31Å; Y231-L278 HydrophobicContact CD1-CD2 4.26Å; Y231-L278 HydrophobicContact CE1-CD2 3.36Å; Y231-F302 HydrophobicContact CD1-CE2 4.29Å; Y231-F302 AromaticContact CD2-CE2 3.59Å; Y231-F302 HydrophobicContact CD2-CE2 3.59Å; Y231-F302 AromaticContact CD2-CZ 3.83Å; Y231-F302 HydrophobicContact CD2-CZ 3.83Å; Y231-F302 HydrophobicContact CE1-CE2 4.39Å; Y231-F302 AromaticContact CE2-CE2 3.68Å; Y231-F302 HydrophobicContact CE2-CE2 3.68Å; Y231-F302 HydrophobicContact CE2-CZ 4.33Å; Y231-F302 AromaticContact CG-CE2 3.88Å; Y231-F302 HydrophobicContact CG-CE2 3.88Å; Y231-F302 HydrophobicContact CG-CZ 4.08Å; Y231-L306 HydrophobicContact CD2-CD2 4.26Å; Y231-L306 HydrophobicContact CE2-CD2 3.97Å
232I84.1Confident76.1Confident16 Ų1668.5 Ų68.58%0.08231%0.313CS..  trans-85.3134.3-169.6-59.3-59.2000111.5N214 L228 M229 F238 P240 P346N214-I232 PolarHBondContact ND2-O 3.14Å; L228-I232 HydrophobicContact CD1-CD1 4.22Å; L228-I232 HydrophobicContact CG-CD1 4.12Å; L228-I232 WeakPolarHBondContact O-CG1 3.37Å; M229-I232 PolarHBondContact O-N 2.76Å; I232-F238 WeakPolarHBondContact CD1-O 3.34Å; I232-F238 HydrophobicContact CG2-CB 3.67Å; I232-F238 HydrophobicContact CG2-CD1 3.74Å; I232-F238 HydrophobicContact CG2-CG 4.11Å; I232-P240 HydrophobicContact CD1-CG 3.9Å; I232-P346 HydrophobicContact CD1-CB 3.78Å; I232-P346 HydrophobicContact CG1-CB 3.78Å; I232-P346 HydrophobicContact CG1-CG 4.14Å; I232-P346 HydrophobicContact CG2-CG 4.44Å
233P78.9Confident78.7Confident24 Ų2461.4 Ų61.416%0.15628%0.282CS..  trans-63.7154.1172.127.8-35.5000111.7R235 P237 I239P233-R235 PolarHBondContact O-N 3.08Å; P233-P237 VanDerWaalsContact CG-O 3.28Å; P233-P237 WeakPolarHBondContact CG-O 3.4Å; P233-I239 WeakPolarHBondContact CD-O 3.47Å
234P73.6Confident81.1Confident58 Ų5854 Ų5438%0.37725%0.252SS..SBendtrans-68.2-19.2-178.427.3-34.8000114.1
235R76.7Confident83.1Confident172 Ų17251.2 Ų51.265%0.64923%0.232SC*.SBendtrans-123.9155.9179.5-56.3-170-166.9-151.63.8110D211 P233D211-R235 IonicContact OD2-CZ 3.2Å; D211-R235 IonicContact OD2-NE 3.02Å; D211-R235 PolarHBondContact OD2-NE 3.34Å; D211-R235 IonicContact OD2-NH2 2.77Å; D211-R235 PolarHBondContact OD2-NH2 3.09Å; P233-R235 PolarHBondContact O-N 3.08Å
236E77.9Confident84.9Confident92 Ų9243.6 Ų43.643%0.4320%0.203SC..SBendtrans-58.7149.4173.6-72.5-176.3-175.100112.6F238 H349 S425E236-F238 HydrophobicContact CG-CD1 4.42Å; E236-F238 HydrophobicContact CG-CD2 3.71Å; E236-F238 HydrophobicContact CG-CE1 4.07Å; E236-F238 HydrophobicContact CG-CE2 3.29Å; E236-F238 HydrophobicContact CG-CG 4.25Å; E236-F238 HydrophobicContact CG-CZ 3.5Å; E236-F238 WeakPolarHBondContact OE1-CE2 3.1Å; E236-H349 IonicContact OE1-CE1 3.97Å; E236-S425 WeakPolarHBondContact OE2-CB 3.47Å; E236-S425 PolarHBondContact OE2-OG 2.99Å
237P84.6Confident86.1Confident47 Ų4742.4 Ų42.431%0.30520%0.198SC..SBendcis-75.1137.9-1.931-35.1000112.1P233 I239P233-P237 VanDerWaalsContact CG-O 3.28Å; P233-P237 WeakPolarHBondContact CG-O 3.4Å; P237-I239 HydrophobicContact CB-CD1 3.83Å; P237-I239 HydrophobicContact CB-CG1 4.17Å; P237-I239 HydrophobicContact CG-CD1 4.24Å; P237-I239 PolarHBondContact O-N 2.95Å
238F88.9Confident86.9Confident26 Ų2641 Ų4111%0.11420%0.2CC..  trans-74.861.5-179.1-60.2-55.5000112.2I232 E236 L345 H349 T350I232-F238 WeakPolarHBondContact CD1-O 3.34Å; I232-F238 HydrophobicContact CG2-CB 3.67Å; I232-F238 HydrophobicContact CG2-CD1 3.74Å; I232-F238 HydrophobicContact CG2-CG 4.11Å; E236-F238 HydrophobicContact CG-CD1 4.42Å; E236-F238 HydrophobicContact CG-CD2 3.71Å; E236-F238 HydrophobicContact CG-CE1 4.07Å; E236-F238 HydrophobicContact CG-CE2 3.29Å; E236-F238 HydrophobicContact CG-CG 4.25Å; E236-F238 HydrophobicContact CG-CZ 3.5Å; E236-F238 WeakPolarHBondContact OE1-CE2 3.1Å; F238-L345 HydrophobicContact CD2-CB 3.97Å; F238-L345 HydrophobicContact CE2-CB 4.36Å; F238-L345 HydrophobicContact CE2-CD1 4.08Å; F238-H349 HydrophobicContact CB-CB 4.38Å; F238-H349 AromaticContact CD2-CE1 3.58Å; F238-H349 AromaticContact CD2-ND1 3.85Å; F238-H349 PolarHBondContact N-ND1 3.31Å; F238-T350 PolarHBondContact O-OG1 3.47Å
239I91.2Very high87.5Confident1 Ų141.2 Ų41.21%0.00520%0.2CC..  trans-122.6132.6-177.7-55.2165.1000108.3P233 P237 K241 V243 I244 H349 F353 I423P233-I239 WeakPolarHBondContact CD-O 3.47Å; P237-I239 HydrophobicContact CB-CD1 3.83Å; P237-I239 HydrophobicContact CB-CG1 4.17Å; P237-I239 HydrophobicContact CG-CD1 4.24Å; P237-I239 PolarHBondContact O-N 2.95Å; I239-K241 PolarHBondContact O-N 3.36Å; I239-V243 HydrophobicContact CG2-CB 4.29Å; I239-V243 HydrophobicContact CG2-CG1 4.17Å; I239-I244 HydrophobicContact CB-CD1 4.16Å; I239-I244 HydrophobicContact CB-CG1 4.28Å; I239-I244 HydrophobicContact CG2-CD1 4.22Å; I239-I244 HydrophobicContact CG2-CG1 3.78Å; I239-H349 HydrophobicContact CG1-CB 3.87Å; I239-F353 HydrophobicContact CD1-CB 3.61Å; I239-F353 HydrophobicContact CD1-CD2 4Å; I239-F353 HydrophobicContact CD1-CG 3.82Å; I239-F353 HydrophobicContact CG1-CB 4.37Å; I239-F353 HydrophobicContact CG2-CD1 4.04Å; I239-F353 HydrophobicContact CG2-CG 4.33Å; I239-I423 HydrophobicContact CD1-CG2 4.26Å
240P90.3Very high88.4Confident2 Ų238.3 Ų38.31%0.01319%0.186CC..  trans-55.1129.7175.7-2634.3000112.2L228 Y231 I232 M242 V243 I244 F302 T350L228-P240 HydrophobicContact CD1-CG 3.64Å; Y231-P240 WeakPolarHBondContact O-CA 3.31Å; I232-P240 HydrophobicContact CD1-CG 3.9Å; P240-M242 PolarHBondContact O-N 3.09Å; P240-M242 VanDerWaalsContact O-N 3.17Å; P240-V243 HydrophobicContact CB-CB 4.29Å; P240-V243 HydrophobicContact CB-CG2 3.91Å; P240-V243 HydrophobicContact CG-CG2 4.16Å; P240-V243 WeakPolarHBondContact O-CB 3.49Å; P240-V243 PolarHBondContact O-N 3.09Å; P240-I244 PolarHBondContact O-N 3.32Å; P240-F302 HydrophobicContact CB-CE1 4.39Å; P240-F302 HydrophobicContact CB-CZ 4.16Å; P240-F302 HydrophobicContact CG-CE1 4.12Å; P240-F302 HydrophobicContact CG-CZ 3.95Å; P240-T350 VanDerWaalsContact CD-OG1 3.3Å; P240-T350 WeakPolarHBondContact CD-OG1 3.44Å
241K88.4Confident89.3Confident93 Ų9338 Ų3840%0.40418%0.182SC..Hα-helixtrans-55.9-37.1-179.1-67.4-173.7179.1-177.80113I239 V243 I244 D245I239-K241 PolarHBondContact O-N 3.36Å; K241-V243 VanDerWaalsContact C-N 3.32Å; K241-V243 PolarHBondContact O-N 3.13Å; K241-I244 PolarHBondContact O-N 3.38Å; K241-D245 VanDerWaalsContact O-CG 3.25Å; K241-D245 PolarHBondContact O-N 3.45Å
242M91.3Very high89.8Confident15 Ų1540.5 Ų40.57%0.07421%0.206CC..Hα-helixtrans-59.7-40.5174.5171.3177.159.900112.4P240 I244 D245 L246 L274 F277 L278 F302P240-M242 PolarHBondContact O-N 3.09Å; P240-M242 VanDerWaalsContact O-N 3.17Å; M242-I244 VanDerWaalsContact C-N 3.33Å; M242-D245 PolarHBondContact O-N 3.32Å; M242-L246 HydrophobicContact CG-CD1 3.7Å; M242-L246 HydrophobicContact CG-CG 4.27Å; M242-L246 WeakPolarHBondContact O-CB 3.15Å; M242-L246 VanDerWaalsContact O-CG 3.3Å; M242-L246 WeakPolarHBondContact O-CG 3.44Å; M242-L246 PolarHBondContact O-N 2.97Å; M242-L246 HydrophobicContact SD-CD1 4.33Å; M242-L274 HydrophobicContact CE-CD1 4.14Å; M242-L274 HydrophobicContact SD-CD1 3.98Å; M242-F277 HydrophobicContact CB-CD1 3.61Å; M242-F277 HydrophobicContact CB-CE1 3.79Å; M242-F277 HydrophobicContact CB-CG 4.12Å; M242-F277 HydrophobicContact CB-CZ 4.43Å; M242-F277 HydrophobicContact CG-CB 4.13Å; M242-F277 HydrophobicContact CG-CD1 3.51Å; M242-F277 HydrophobicContact CG-CD2 3.78Å; M242-F277 HydrophobicContact CG-CE1 3.64Å; M242-F277 HydrophobicContact CG-CE2 3.91Å; M242-F277 HydrophobicContact CG-CG 3.56Å; M242-F277 HydrophobicContact CG-CZ 3.82Å; M242-F277 HydrophobicContact SD-CB 3.26Å; M242-F277 WeakPolarHBondContact SD-CB 3.45Å; M242-F277 HydrophobicContact SD-CD1 3.85Å; M242-F277 HydrophobicContact SD-CD2 3.5Å; M242-F277 VanDerWaalsContact SD-CD2 3.5Å; M242-F277 HydrophobicContact SD-CE1 4.48Å; M242-F277 HydrophobicContact SD-CE2 4.2Å; M242-F277 HydrophobicContact SD-CG 3.28Å; M242-F277 WeakPolarHBondContact SD-CG 3.44Å; M242-L278 HydrophobicContact CE-CD2 4.4Å; M242-F302 HydrophobicContact CE-CB 3.69Å; M242-F302 HydrophobicContact CE-CD1 3.93Å; M242-F302 HydrophobicContact CE-CD2 3.06Å; M242-F302 HydrophobicContact CE-CE1 4.32Å; M242-F302 HydrophobicContact CE-CE2 3.51Å; M242-F302 HydrophobicContact CE-CG 3.26Å; M242-F302 HydrophobicContact CE-CZ 4.13Å
243V95.2Very high90.4Very high0 Ų044.2 Ų44.20%022%0.219CC..Hα-helixtrans-63.6-44.7178.8169.80000109.4I239 P240 K241 D245 L246 V247 L299 F302 F303 F353I239-V243 HydrophobicContact CG2-CB 4.29Å; I239-V243 HydrophobicContact CG2-CG1 4.17Å; P240-V243 HydrophobicContact CB-CB 4.29Å; P240-V243 HydrophobicContact CB-CG2 3.91Å; P240-V243 HydrophobicContact CG-CG2 4.16Å; P240-V243 WeakPolarHBondContact O-CB 3.49Å; P240-V243 PolarHBondContact O-N 3.09Å; K241-V243 VanDerWaalsContact C-N 3.32Å; K241-V243 PolarHBondContact O-N 3.13Å; V243-D245 PolarHBondContact O-N 2.99Å; V243-L246 PolarHBondContact O-N 3.08Å; V243-V247 HydrophobicContact CG1-CG2 4.37Å; V243-V247 VanDerWaalsContact O-CB 3.29Å; V243-V247 WeakPolarHBondContact O-CB 3.4Å; V243-V247 VanDerWaalsContact O-CG2 3.25Å; V243-V247 WeakPolarHBondContact O-CG2 3.49Å; V243-V247 PolarHBondContact O-N 3Å; V243-L299 HydrophobicContact CB-CD1 4.25Å; V243-L299 HydrophobicContact CG1-CD1 4.08Å; V243-L299 HydrophobicContact CG2-CD1 3.99Å; V243-F302 HydrophobicContact CG2-CD1 3.73Å; V243-F302 HydrophobicContact CG2-CE1 3.52Å; V243-F303 HydrophobicContact CG1-CZ 4.26Å; V243-F303 HydrophobicContact CG2-CE2 4.41Å; V243-F303 HydrophobicContact CG2-CZ 3.9Å; V243-F353 HydrophobicContact CG1-CD1 3.83Å; V243-F353 HydrophobicContact CG1-CE1 3.91Å
244I93.5Very high91.2Very high40 Ų4043 Ų4321%0.20521%0.212CC..Hα-helixtrans-59.6-45.6175.7-60.4173.9000111.1I239 P240 K241 M242 V247 N248 F353I239-I244 HydrophobicContact CB-CD1 4.16Å; I239-I244 HydrophobicContact CB-CG1 4.28Å; I239-I244 HydrophobicContact CG2-CD1 4.22Å; I239-I244 HydrophobicContact CG2-CG1 3.78Å; P240-I244 PolarHBondContact O-N 3.32Å; K241-I244 PolarHBondContact O-N 3.38Å; M242-I244 VanDerWaalsContact C-N 3.33Å; I244-V247 PolarHBondContact O-N 3.48Å; I244-N248 WeakPolarHBondContact CG2-ND2 3.39Å; I244-N248 VanDerWaalsContact O-CB 3.29Å; I244-N248 WeakPolarHBondContact O-CB 3.4Å; I244-N248 PolarHBondContact O-N 3.06Å; I244-N248 PolarHBondContact O-ND2 3.08Å; I244-F353 HydrophobicContact CB-CZ 4.36Å; I244-F353 HydrophobicContact CG1-CE1 4.22Å; I244-F353 HydrophobicContact CG1-CZ 4.13Å; I244-F353 HydrophobicContact CG2-CZ 4.45Å
245D92.5Very high92.3Very high14 Ų1441.6 Ų41.68%0.07520%0.2CC..Hα-helixtrans-61.3-49.6-179.7-70.8-27.4000113.2K241 M242 V243 E249 F277 R283 V286K241-D245 VanDerWaalsContact O-CG 3.25Å; K241-D245 PolarHBondContact O-N 3.45Å; M242-D245 PolarHBondContact O-N 3.32Å; V243-D245 PolarHBondContact O-N 2.99Å; D245-E249 WeakPolarHBondContact O-CB 3.28Å; D245-E249 PolarHBondContact O-N 3.16Å; D245-E249 VanDerWaalsContact O-N 3.09Å; D245-F277 HydrophobicContact CB-CE1 4.42Å; D245-F277 HydrophobicContact CB-CZ 4.34Å; D245-R283 IonicContact OD1-CZ 2.77Å; D245-R283 IonicContact OD1-NE 2.99Å; D245-R283 PolarHBondContact OD1-NE 2.86Å; D245-R283 IonicContact OD1-NH2 3.65Å; D245-R283 PolarHBondContact OD1-NH2 3.2Å; D245-R283 WeakPolarHBondContact OD2-CG 3.38Å; D245-R283 IonicContact OD2-CZ 3.74Å; D245-R283 IonicContact OD2-NE 3.52Å; D245-R283 PolarHBondContact OD2-NE 2.95Å; D245-R283 IonicContact OD2-NH2 2.77Å; D245-V286 HydrophobicContact CB-CG1 4.22Å; D245-V286 HydrophobicContact CB-CG2 4.44Å
246L97.1Very high93.3Very high0 Ų036.8 Ų36.80%019%0.188CC..Hα-helixtrans-64.3-46.3-179.7-69.9171000110.3M242 V243 E249 I250 L273 F277 V286 L295 C298 L299M242-L246 HydrophobicContact CG-CD1 3.7Å; M242-L246 HydrophobicContact CG-CG 4.27Å; M242-L246 WeakPolarHBondContact O-CB 3.15Å; M242-L246 VanDerWaalsContact O-CG 3.3Å; M242-L246 WeakPolarHBondContact O-CG 3.44Å; M242-L246 PolarHBondContact O-N 2.97Å; M242-L246 HydrophobicContact SD-CD1 4.33Å; V243-L246 PolarHBondContact O-N 3.08Å; L246-E249 PolarHBondContact O-N 2.67Å; L246-I250 WeakPolarHBondContact O-CB 3.38Å; L246-I250 VanDerWaalsContact O-CD1 3.27Å; L246-I250 WeakPolarHBondContact O-CD1 3.45Å; L246-I250 WeakPolarHBondContact O-CG1 3.44Å; L246-I250 PolarHBondContact O-N 3.23Å; L246-L273 HydrophobicContact CD2-CD2 4.15Å; L246-F277 HydrophobicContact CD1-CE2 4.36Å; L246-F277 HydrophobicContact CD2-CE2 3.96Å; L246-F277 HydrophobicContact CD2-CZ 4.27Å; L246-F277 HydrophobicContact CG-CE2 4.17Å; L246-F277 HydrophobicContact CG-CZ 4.21Å; L246-V286 HydrophobicContact CD2-CG1 4.13Å; L246-L295 HydrophobicContact CD2-CB 4.27Å; L246-L295 HydrophobicContact CD2-CD2 3.88Å; L246-C298 HydrophobicContact CD1-CB 4.26Å; L246-C298 HydrophobicContact CD2-CB 4.43Å; L246-L299 HydrophobicContact CB-CB 4.44Å; L246-L299 HydrophobicContact CB-CD1 4.34Å; L246-L299 HydrophobicContact CD1-CB 4.02Å; L246-L299 HydrophobicContact CD1-CD1 4.15Å
247V97.9Very high94.3Very high0 Ų036.5 Ų36.50%018%0.183CC..Hα-helixtrans-62.4-48.6179.6164.90000111.5V243 I244 E249 I250 E251 L299 F353 H357V243-V247 HydrophobicContact CG1-CG2 4.37Å; V243-V247 VanDerWaalsContact O-CB 3.29Å; V243-V247 WeakPolarHBondContact O-CB 3.4Å; V243-V247 VanDerWaalsContact O-CG2 3.25Å; V243-V247 WeakPolarHBondContact O-CG2 3.49Å; V243-V247 PolarHBondContact O-N 3Å; I244-V247 PolarHBondContact O-N 3.48Å; V247-E249 VanDerWaalsContact C-N 3.3Å; V247-E249 PolarHBondContact O-N 3.07Å; V247-I250 PolarHBondContact O-N 3.21Å; V247-E251 HydrophobicContact CG1-CG 4.36Å; V247-E251 WeakPolarHBondContact O-CG 3.46Å; V247-E251 PolarHBondContact O-N 2.91Å; V247-L299 HydrophobicContact CG2-CD2 3.88Å; V247-F353 HydrophobicContact CB-CE1 3.62Å; V247-F353 HydrophobicContact CB-CZ 3.86Å; V247-F353 HydrophobicContact CG1-CE1 3.69Å; V247-F353 HydrophobicContact CG1-CZ 3.58Å; V247-F353 HydrophobicContact CG2-CD1 4.44Å; V247-F353 HydrophobicContact CG2-CE1 3.7Å; V247-F353 HydrophobicContact CG2-CZ 4.43Å; V247-H357 HydrophobicContact CG1-CB 3.83Å; V247-H357 HydrophobicContact CG2-CB 4.43Å
248N95.9Very high94.9Very high86 Ų8637.2 Ų37.246%0.4619%0.193SC..Hα-helixtrans-60.3-41.3179.8-73.2-14000111.8I244 E251 C252I244-N248 WeakPolarHBondContact CG2-ND2 3.39Å; I244-N248 VanDerWaalsContact O-CB 3.29Å; I244-N248 WeakPolarHBondContact O-CB 3.4Å; I244-N248 PolarHBondContact O-N 3.06Å; I244-N248 PolarHBondContact O-ND2 3.08Å; N248-E251 PolarHBondContact O-N 2.96Å; N248-C252 VanDerWaalsContact O-CB 3.28Å; N248-C252 WeakPolarHBondContact O-CB 3.36Å; N248-C252 PolarHBondContact O-N 3.38Å
249E96.8Very high95.3Very high17 Ų1736 Ų368%0.07919%0.188CC..Hα-helixtrans-69-40177.9-172.563.7-156.600112D245 L246 V247 C252 R253 V286 R287 L295D245-E249 WeakPolarHBondContact O-CB 3.28Å; D245-E249 PolarHBondContact O-N 3.16Å; D245-E249 VanDerWaalsContact O-N 3.09Å; L246-E249 PolarHBondContact O-N 2.67Å; V247-E249 VanDerWaalsContact C-N 3.3Å; V247-E249 PolarHBondContact O-N 3.07Å; E249-C252 PolarHBondContact O-N 3.08Å; E249-R253 PolarHBondContact O-N 3.49Å; E249-R253 WeakPolarHBondContact OE1-CD 3.3Å; E249-R253 IonicContact OE1-CZ 3.05Å; E249-R253 IonicContact OE1-NE 3.68Å; E249-R253 PolarHBondContact OE1-NE 2.89Å; E249-R253 IonicContact OE1-NH2 3.88Å; E249-V286 HydrophobicContact CB-CB 4.3Å; E249-V286 HydrophobicContact CB-CG2 3.79Å; E249-V286 HydrophobicContact CG-CB 4.19Å; E249-V286 HydrophobicContact CG-CG2 3.96Å; E249-R287 WeakPolarHBondContact OE2-CG 3.37Å; E249-L295 HydrophobicContact CB-CD1 4.03Å; E249-L295 HydrophobicContact CG-CD1 3.44Å; E249-L295 VanDerWaalsContact CG-CD1 3.44Å
250I98.2Very high95.6Very high0 Ų036 Ų360%019%0.188CC..Hα-helixtrans-64.7-41.9175.3-68.2160.9000110.6L246 V247 C252 G254 L255 L260 Y261 L295 T296 L299L246-I250 WeakPolarHBondContact O-CB 3.38Å; L246-I250 VanDerWaalsContact O-CD1 3.27Å; L246-I250 WeakPolarHBondContact O-CD1 3.45Å; L246-I250 WeakPolarHBondContact O-CG1 3.44Å; L246-I250 PolarHBondContact O-N 3.23Å; V247-I250 PolarHBondContact O-N 3.21Å; I250-C252 VanDerWaalsContact C-N 3.33Å; I250-C252 PolarHBondContact O-N 2.93Å; I250-G254 CarbonylContact O-C 3.54Å; I250-G254 WeakPolarHBondContact O-CA 3.43Å; I250-G254 PolarHBondContact O-N 3.46Å; I250-L255 PolarHBondContact O-N 3.06Å; I250-L260 HydrophobicContact CG2-CD1 4.18Å; I250-L260 HydrophobicContact CG2-CD2 3.93Å; I250-Y261 WeakPolarHBondContact CD1-OH 3.25Å; I250-L295 HydrophobicContact CD1-CB 4.01Å; I250-L295 HydrophobicContact CG1-CB 3.78Å; I250-L295 HydrophobicContact CG1-CD1 4.15Å; I250-T296 HydrophobicContact CD1-CG2 3.86Å; I250-T296 HydrophobicContact CG1-CG2 4.24Å; I250-T296 HydrophobicContact CG2-CG2 4.37Å; I250-L299 HydrophobicContact CD1-CD2 4.47Å
251E97.5Very high96Very high45 Ų4535.9 Ų35.921%0.2119%0.187CC..Hα-helixtrans-66.3-35.8176.1-71.3-171.3-175.300112.3V247 N248 R253 L255 H357 K360V247-E251 HydrophobicContact CG1-CG 4.36Å; V247-E251 WeakPolarHBondContact O-CG 3.46Å; V247-E251 PolarHBondContact O-N 2.91Å; N248-E251 PolarHBondContact O-N 2.96Å; E251-R253 VanDerWaalsContact C-N 3.34Å; E251-R253 PolarHBondContact O-N 3.46Å; E251-L255 HydrophobicContact CG-CD2 4.36Å; E251-H357 VanDerWaalsContact CG-ND1 3.27Å; E251-H357 WeakPolarHBondContact CG-ND1 3.44Å; E251-H357 IonicContact OE1-CE1 3.99Å; E251-H357 IonicContact OE1-CG 3.63Å; E251-H357 IonicContact OE1-ND1 2.64Å; E251-H357 PolarHBondContact OE1-ND1 3.23Å; E251-K360 VanDerWaalsContact OE1-CD 3.28Å; E251-K360 WeakPolarHBondContact OE1-CD 3.44Å; E251-K360 IonicContact OE1-NZ 3.21Å; E251-K360 PolarHBondContact OE1-NZ 3.39Å; E251-K360 VanDerWaalsContact OE1-NZ 3.08Å; E251-K360 IonicContact OE2-NZ 2.84Å; E251-K360 PolarHBondContact OE2-NZ 2.88Å
252C96.2Very high96.4Very high102 Ų10237.8 Ų37.869%0.68919%0.192SC*.Hα-helixtrans-65.1-32.8-177.4-171.90000113.6N248 E249 I250N248-C252 VanDerWaalsContact O-CB 3.28Å; N248-C252 WeakPolarHBondContact O-CB 3.36Å; N248-C252 PolarHBondContact O-N 3.38Å; E249-C252 PolarHBondContact O-N 3.08Å; I250-C252 VanDerWaalsContact C-N 3.33Å; I250-C252 PolarHBondContact O-N 2.93Å
253R95.9Very high96.7Very high94 Ų9439.5 Ų39.536%0.35520%0.203SC..Hα-helixtrans-145.2-5.1-172.868.3-173.8175.493.54.9116.2E249 E251 I289 S290 V292E249-R253 PolarHBondContact O-N 3.49Å; E249-R253 WeakPolarHBondContact OE1-CD 3.3Å; E249-R253 IonicContact OE1-CZ 3.05Å; E249-R253 IonicContact OE1-NE 3.68Å; E249-R253 PolarHBondContact OE1-NE 2.89Å; E249-R253 IonicContact OE1-NH2 3.88Å; E251-R253 VanDerWaalsContact C-N 3.34Å; E251-R253 PolarHBondContact O-N 3.46Å; R253-I289 PolarHBondContact NH2-O 2.87Å; R253-S290 PolarHBondContact NH1-O 2.94Å; R253-V292 HydrophobicContact CG-CG2 4.36Å
254G94.8Very high96.7Very high0 Ų044.6 Ų44.60%024%0.236CC..  trans-108.3-8.7-169.700000115.2I250 D256 Y257I250-G254 CarbonylContact O-C 3.54Å; I250-G254 WeakPolarHBondContact O-CA 3.43Å; I250-G254 PolarHBondContact O-N 3.46Å; G254-D256 PolarHBondContact O-N 3.25Å; G254-D256 VanDerWaalsContact O-N 3.16Å; G254-Y257 WeakPolarHBondContact O-CB 3.27Å; G254-Y257 PolarHBondContact O-N 3.42Å
255L97.9Very high96.8Very high27 Ų2743.2 Ų43.214%0.14123%0.232CC..THydrogen-bonded Turntrans-62.1-26.7-173.2-68.9-179.9000114I250 E251 V361 R364 N368I250-L255 PolarHBondContact O-N 3.06Å; E251-L255 HydrophobicContact CG-CD2 4.36Å; L255-V361 HydrophobicContact CD2-CG2 3.85Å; L255-R364 HydrophobicContact CB-CG 4.28Å; L255-N368 VanDerWaalsContact O-CB 3.32Å; L255-N368 WeakPolarHBondContact O-CB 3.41Å; L255-N368 PolarHBondContact O-ND2 3.21Å
256D97.8Very high97Very high72 Ų7245.2 Ų45.239%0.38525%0.246SC..THydrogen-bonded Turntrans-93.40.6178.1-68.1-45.4000113.8G254 A258 R364 T367G254-D256 PolarHBondContact O-N 3.25Å; G254-D256 VanDerWaalsContact O-N 3.16Å; D256-A258 PolarHBondContact O-N 3.1Å; D256-A258 VanDerWaalsContact O-N 3.17Å; D256-R364 IonicContact OD1-CZ 2.99Å; D256-R364 IonicContact OD1-NE 2.73Å; D256-R364 PolarHBondContact OD1-NE 2.83Å; D256-R364 IonicContact OD1-NH2 2.71Å; D256-R364 PolarHBondContact OD1-NH2 3.23Å; D256-R364 IonicContact OD2-CZ 3.49Å; D256-R364 IonicContact OD2-NH2 3.67Å; D256-R364 PolarHBondContact OD2-NH2 3.19Å; D256-T367 HydrophobicContact CB-CG2 3.78Å; D256-T367 WeakPolarHBondContact OD1-CB 3.4Å; D256-T367 WeakPolarHBondContact OD1-CG2 3.37Å
257Y97.7Very high96.9Very high85 Ų8550.8 Ų50.833%0.33327%0.272SS..SBendtrans-67.2115.1-179.8-172.8-80.8000110.7G254 G259 L260 V263 V292 N368G254-Y257 WeakPolarHBondContact O-CB 3.27Å; G254-Y257 PolarHBondContact O-N 3.42Å; Y257-G259 PolarHBondContact O-N 3.03Å; Y257-L260 HydrophobicContact CD1-CD1 4.45Å; Y257-L260 WeakPolarHBondContact O-CB 3.34Å; Y257-L260 PolarHBondContact O-N 3.08Å; Y257-V263 HydrophobicContact CE1-CB 4.27Å; Y257-V292 HydrophobicContact CD2-CB 4.15Å; Y257-N368 WeakPolarHBondContact O-CB 3.49Å
258A97.7Very high96.8Very high62 Ų6255.1 Ų55.151%0.51230%0.302SS..THydrogen-bonded Turntrans-57.4122.3-178.900000112.1D256D256-A258 PolarHBondContact O-N 3.1Å; D256-A258 VanDerWaalsContact O-N 3.17Å
259G97.2Very high96.8Very high0 Ų056.5 Ų56.50%030%0.304CS..THydrogen-bonded Turntrans71.930.6-176.400000114.1Y257 Y261 R262 V263 N368Y257-G259 PolarHBondContact O-N 3.03Å; G259-Y261 PolarHBondContact O-N 2.96Å; G259-R262 WeakPolarHBondContact O-CA 3.41Å; G259-R262 WeakPolarHBondContact O-CB 3.36Å; G259-R262 PolarHBondContact O-N 2.74Å; G259-V263 PolarHBondContact O-N 3.35Å; G259-N368 PolarHBondContact N-O 3.48Å
260L98Very high96.8Very high1 Ų156.1 Ų56.11%0.00530%0.303CS..THydrogen-bonded Turntrans-46.3132.9174.4-168.770.4000111.3I250 Y257 R262 V292 T296 V361 M370I250-L260 HydrophobicContact CG2-CD1 4.18Å; I250-L260 HydrophobicContact CG2-CD2 3.93Å; Y257-L260 HydrophobicContact CD1-CD1 4.45Å; Y257-L260 WeakPolarHBondContact O-CB 3.34Å; Y257-L260 PolarHBondContact O-N 3.08Å; L260-R262 PolarHBondContact O-N 3.23Å; L260-V292 HydrophobicContact CD1-CG1 3.51Å; L260-T296 HydrophobicContact CD1-CG2 3.44Å; L260-T296 VanDerWaalsContact CD1-CG2 3.44Å; L260-T296 HydrophobicContact CG-CG2 3.98Å; L260-V361 HydrophobicContact CB-CG1 4.48Å; L260-V361 HydrophobicContact CD2-CB 4.45Å; L260-V361 HydrophobicContact CD2-CG1 3.82Å; L260-V361 HydrophobicContact CD2-CG2 3.74Å; L260-M370 WeakPolarHBondContact O-CE 3.39Å; L260-M370 WeakPolarHBondContact O-CG 3.48Å
261Y98.3Very high96.5Very high1 Ų160.7 Ų60.70%0.00432%0.323CS..THydrogen-bonded Turntrans65.3-23.4-170.1-61.9-75.6000117.1I250 G259 T296 L299 K300 H357 L358 V361 L375 F379I250-Y261 WeakPolarHBondContact CD1-OH 3.25Å; G259-Y261 PolarHBondContact O-N 2.96Å; Y261-T296 VanDerWaalsContact CD1-CB 3.49Å; Y261-T296 HydrophobicContact CD1-CG2 3.75Å; Y261-T296 HydrophobicContact CD2-CG2 4.32Å; Y261-T296 HydrophobicContact CE1-CG2 3.6Å; Y261-T296 HydrophobicContact CE2-CG2 4.19Å; Y261-T296 HydrophobicContact CG-CG2 4.1Å; Y261-L299 HydrophobicContact CE1-CD2 4.01Å; Y261-L299 VanDerWaalsContact OH-CD2 3.32Å; Y261-L299 WeakPolarHBondContact OH-CD2 3.43Å; Y261-K300 HydrophobicContact CD1-CD 4.19Å; Y261-K300 HydrophobicContact CD1-CG 4.04Å; Y261-K300 WeakPolarHBondContact O-CE 3.35Å; Y261-K300 PolarHBondContact O-NZ 3.14Å; Y261-H357 AromaticContact CE2-NE2 3.45Å; Y261-H357 WeakPolarHBondContact CE2-NE2 3.26Å; Y261-H357 AromaticContact CZ-NE2 3.47Å; Y261-H357 PolarHBondContact OH-CD2 2.93Å; Y261-H357 PolarHBondContact OH-NE2 3.08Å; Y261-L358 HydrophobicContact CD2-CD2 4.2Å; Y261-L358 HydrophobicContact CE2-CD2 3.95Å; Y261-V361 HydrophobicContact CE2-CG2 4.21Å; Y261-L375 HydrophobicContact CD2-CD2 4.28Å; Y261-F379 AromaticContact CD1-CE2 3.76Å; Y261-F379 HydrophobicContact CD1-CE2 3.76Å; Y261-F379 AromaticContact CD1-CZ 3.46Å; Y261-F379 HydrophobicContact CD1-CZ 3.46Å; Y261-F379 VanDerWaalsContact CD1-CZ 3.46Å; Y261-F379 AromaticContact CD2-CE2 3.99Å; Y261-F379 HydrophobicContact CD2-CE2 3.99Å; Y261-F379 HydrophobicContact CD2-CZ 4.29Å; Y261-F379 HydrophobicContact CE1-CE2 4.28Å; Y261-F379 AromaticContact CE1-CZ 3.64Å; Y261-F379 HydrophobicContact CE1-CZ 3.64Å; Y261-F379 HydrophobicContact CE2-CE2 4.48Å; Y261-F379 HydrophobicContact CE2-CZ 4.42Å; Y261-F379 AromaticContact CG-CE2 3.61Å; Y261-F379 HydrophobicContact CG-CE2 3.61Å; Y261-F379 AromaticContact CG-CZ 3.81Å; Y261-F379 HydrophobicContact CG-CZ 3.81Å
262R96.9Very high96.3Very high132 Ų13262.4 Ų62.450%0.49833%0.333SS..THydrogen-bonded Turntrans-79.2-47.7174.2-174.5-177.771.3-162.61.5111.7G259 L260 P264 M370 V378G259-R262 WeakPolarHBondContact O-CA 3.41Å; G259-R262 WeakPolarHBondContact O-CB 3.36Å; G259-R262 PolarHBondContact O-N 2.74Å; L260-R262 PolarHBondContact O-N 3.23Å; R262-P264 WeakPolarHBondContact O-CD 3.34Å; R262-M370 HydrophobicContact CB-CE 3.89Å; R262-M370 HydrophobicContact CB-SD 3.76Å; R262-V378 HydrophobicContact CB-CG2 4.49Å
263V97.5Very high96.3Very high52 Ų5257.9 Ų57.932%0.31530%0.302SS..SBendtrans-74.2119.7-180179.20000109.4Y257 G259Y257-V263 HydrophobicContact CE1-CB 4.27Å; G259-V263 PolarHBondContact O-N 3.35Å
264P95.7Very high96.1Very high106 Ų10653.6 Ų53.669%0.68829%0.286SS*.PPolyproline II helixtrans-77136178.631-33.2000111.2R262R262-P264 WeakPolarHBondContact O-CD 3.34Å
265G94.9Very high95.7Very high12 Ų1257.9 Ų57.912%0.12430%0.303CS..PPolyproline II helixtrans-78.3169.6167.400000112.5E267 A293G265-E267 PolarHBondContact O-N 2.84Å; G265-E267 VanDerWaalsContact O-N 3.13Å; G265-A293 PolarHBondContact N-O 2.93Å
266P96.8Very high95.2Very high55 Ų5560 Ų6036%0.35731%0.311SS..PPolyproline II helixtrans-54.2118.1177.6-25.733.5000112.2S268 K269 V270 D291P266-S268 VanDerWaalsContact C-N 3.27Å; P266-S268 PolarHBondContact O-N 3.34Å; P266-K269 HydrophobicContact CB-CB 4.32Å; P266-K269 HydrophobicContact CB-CD 4.25Å; P266-K269 HydrophobicContact CB-CG 4.2Å; P266-K269 HydrophobicContact CG-CD 4.31Å; P266-K269 PolarHBondContact O-N 3.2Å; P266-V270 PolarHBondContact O-N 3.39Å; P266-D291 VanDerWaalsContact CD-OD2 3.3Å; P266-D291 WeakPolarHBondContact CD-OD2 3.47Å
267E94.7Very high94.7Very high117 Ų11758.3 Ų58.355%0.54730%0.3SS..Hα-helixtrans-59.7-38.6-170.1-158.7-160.2177.400112G265 K269 V270 K271G265-E267 PolarHBondContact O-N 2.84Å; G265-E267 VanDerWaalsContact O-N 3.13Å; E267-K269 PolarHBondContact O-N 3.4Å; E267-V270 WeakPolarHBondContact O-CB 3.3Å; E267-V270 PolarHBondContact O-N 2.97Å; E267-K271 VanDerWaalsContact CD-CE 3.48Å; E267-K271 HydrophobicContact CG-CG 4.28Å; E267-K271 WeakPolarHBondContact O-CG 3.34Å; E267-K271 PolarHBondContact O-N 3.39Å; E267-K271 WeakPolarHBondContact OE1-CE 3.29Å; E267-K271 IonicContact OE1-NZ 2.54Å; E267-K271 PolarHBondContact OE1-NZ 3.03Å; E267-K271 IonicContact OE2-NZ 3.56Å; E267-K271 PolarHBondContact OE2-NZ 2.92Å
268S95.9Very high94.1Very high91 Ų9155.3 Ų55.364%0.63629%0.29SS*.Hα-helixtrans-58.1-44.4176.6570000112.4P266 K271 N272P266-S268 VanDerWaalsContact C-N 3.27Å; P266-S268 PolarHBondContact O-N 3.34Å; S268-K271 PolarHBondContact O-N 2.92Å; S268-N272 VanDerWaalsContact O-CB 3.27Å; S268-N272 WeakPolarHBondContact O-CB 3.43Å; S268-N272 PolarHBondContact O-N 3.41Å
269K96.8Very high93.2Very high116 Ų11654.7 Ų54.750%0.50428%0.275SS..Hα-helixtrans-67.9-39.4176.6-66.7-173.5-179.7178.50111.5P266 E267 N272 L273 V294P266-K269 HydrophobicContact CB-CB 4.32Å; P266-K269 HydrophobicContact CB-CD 4.25Å; P266-K269 HydrophobicContact CB-CG 4.2Å; P266-K269 HydrophobicContact CG-CD 4.31Å; P266-K269 PolarHBondContact O-N 3.2Å; E267-K269 PolarHBondContact O-N 3.4Å; K269-N272 PolarHBondContact O-N 2.82Å; K269-L273 WeakPolarHBondContact O-CB 3.08Å; K269-L273 PolarHBondContact O-N 3.42Å; K269-V294 HydrophobicContact CB-CG1 3.94Å; K269-V294 HydrophobicContact CB-CG2 3.79Å; K269-V294 HydrophobicContact CD-CG2 4.14Å
270V96.9Very high91.9Very high9 Ų958.7 Ų58.76%0.05529%0.293CS..Hα-helixtrans-62.1-48.1174.3172.60000111P266 E267 N272 L273 L274 V294 G297 K301P266-V270 PolarHBondContact O-N 3.39Å; E267-V270 WeakPolarHBondContact O-CB 3.3Å; E267-V270 PolarHBondContact O-N 2.97Å; V270-N272 VanDerWaalsContact C-N 3.32Å; V270-N272 PolarHBondContact O-N 3.29Å; V270-L273 PolarHBondContact O-N 3.38Å; V270-L274 WeakPolarHBondContact O-CB 3.5Å; V270-L274 PolarHBondContact O-N 2.85Å; V270-V294 HydrophobicContact CG2-CB 4.49Å; V270-V294 HydrophobicContact CG2-CG1 4.24Å; V270-G297 VanDerWaalsContact CG1-C 3.48Å; V270-K301 HydrophobicContact CG1-CB 4.25Å; V270-K301 HydrophobicContact CG1-CD 3.86Å
271K92Very high90Very high95 Ų9564 Ų6441%0.41331%0.313SS..Hα-helixtrans-60.1-44.3176.6-53.8-139.8167103.10110.5E267 S268 Y275 K301E267-K271 VanDerWaalsContact CD-CE 3.48Å; E267-K271 HydrophobicContact CG-CG 4.28Å; E267-K271 WeakPolarHBondContact O-CG 3.34Å; E267-K271 PolarHBondContact O-N 3.39Å; E267-K271 WeakPolarHBondContact OE1-CE 3.29Å; E267-K271 IonicContact OE1-NZ 2.54Å; E267-K271 PolarHBondContact OE1-NZ 3.03Å; E267-K271 IonicContact OE2-NZ 3.56Å; E267-K271 PolarHBondContact OE2-NZ 2.92Å; S268-K271 PolarHBondContact O-N 2.92Å; K271-Y275 VanDerWaalsContact O-CB 3.31Å; K271-Y275 WeakPolarHBondContact O-CB 3.38Å; K271-Y275 PolarHBondContact O-N 3.48Å; K271-K301 VanDerWaalsContact CD-NZ 3.34Å; K271-K301 VanDerWaalsContact CE-NZ 3.29Å
272N93.4Very high88.5Confident81 Ų8166.7 Ų66.743%0.43334%0.341SS..Hα-helixtrans-63.8-49.6-179.8-174.4-92.2000111.2S268 K269 V270 L274 Y275 K276S268-N272 VanDerWaalsContact O-CB 3.27Å; S268-N272 WeakPolarHBondContact O-CB 3.43Å; S268-N272 PolarHBondContact O-N 3.41Å; K269-N272 PolarHBondContact O-N 2.82Å; V270-N272 VanDerWaalsContact C-N 3.32Å; V270-N272 PolarHBondContact O-N 3.29Å; N272-L274 PolarHBondContact O-N 3.38Å; N272-Y275 WeakPolarHBondContact O-CA 3.31Å; N272-Y275 VanDerWaalsContact O-CB 3.32Å; N272-Y275 WeakPolarHBondContact O-CB 3.41Å; N272-Y275 PolarHBondContact O-N 3.17Å; N272-Y275 VanDerWaalsContact O-N 3.12Å; N272-K276 WeakPolarHBondContact O-CG 3.39Å; N272-K276 PolarHBondContact O-N 2.79Å; N272-K276 WeakPolarHBondContact OD1-CE 3.49Å
273L95Very high87.4Confident7 Ų768.7 Ų68.74%0.03735%0.349CS..Hα-helixtrans-58.6-47178-179.856.1000111.9L246 K269 V270 Y275 K276 F277 P284 I289 V294 L295 C298L246-L273 HydrophobicContact CD2-CD2 4.15Å; K269-L273 WeakPolarHBondContact O-CB 3.08Å; K269-L273 PolarHBondContact O-N 3.42Å; V270-L273 PolarHBondContact O-N 3.38Å; L273-Y275 VanDerWaalsContact C-N 3.28Å; L273-Y275 PolarHBondContact O-N 3.27Å; L273-K276 WeakPolarHBondContact O-CB 3.38Å; L273-K276 PolarHBondContact O-N 2.84Å; L273-F277 HydrophobicContact CD1-CD2 3.94Å; L273-F277 HydrophobicContact CD1-CE2 3.69Å; L273-F277 HydrophobicContact CD2-CE2 4.33Å; L273-F277 HydrophobicContact CG-CD2 4.01Å; L273-F277 HydrophobicContact CG-CE2 3.88Å; L273-F277 WeakPolarHBondContact O-CD2 3.37Å; L273-F277 PolarHBondContact O-N 3.5Å; L273-F277 VanDerWaalsContact O-N 3.08Å; L273-P284 HydrophobicContact CD1-CB 4.41Å; L273-P284 HydrophobicContact CD1-CG 4.48Å; L273-I289 HydrophobicContact CD1-CD1 3.26Å; L273-I289 HydrophobicContact CD2-CD1 3.43Å; L273-I289 VanDerWaalsContact CD2-CD1 3.43Å; L273-I289 HydrophobicContact CG-CD1 3.89Å; L273-V294 HydrophobicContact CB-CG1 4.48Å; L273-V294 HydrophobicContact CD2-CG1 4.16Å; L273-L295 HydrophobicContact CD2-CD2 3.96Å; L273-C298 HydrophobicContact CD2-CB 3.72Å; L273-C298 HydrophobicContact CG-CB 4.23Å
274L91.5Very high86.6Confident4 Ų467.3 Ų67.32%0.02134%0.341CS..Hα-helixtrans-61.2-41.4177.2-17458.4000110.8M242 V270 N272 K276 F277 L278 K301 F302M242-L274 HydrophobicContact CE-CD1 4.14Å; M242-L274 HydrophobicContact SD-CD1 3.98Å; V270-L274 WeakPolarHBondContact O-CB 3.5Å; V270-L274 PolarHBondContact O-N 2.85Å; N272-L274 PolarHBondContact O-N 3.38Å; L274-K276 VanDerWaalsContact C-N 3.29Å; L274-K276 PolarHBondContact O-N 2.72Å; L274-F277 PolarHBondContact O-N 2.88Å; L274-L278 HydrophobicContact CD1-CD1 3.86Å; L274-L278 HydrophobicContact CD1-CD2 4.49Å; L274-L278 HydrophobicContact CD1-CG 3.99Å; L274-L278 HydrophobicContact CD2-CD1 4.44Å; L274-L278 HydrophobicContact CG-CD1 3.76Å; L274-L278 HydrophobicContact CG-CG 4.24Å; L274-L278 WeakPolarHBondContact O-CB 3.4Å; L274-L278 WeakPolarHBondContact O-CG 3.22Å; L274-L278 PolarHBondContact O-N 2.81Å; L274-K301 HydrophobicContact CD2-CB 4.04Å; L274-K301 HydrophobicContact CD2-CD 3.86Å; L274-K301 HydrophobicContact CD2-CG 3.71Å; L274-F302 HydrophobicContact CD1-CB 4.08Å
275Y86.9Confident86.1Confident91 Ų9166.7 Ų66.736%0.35733%0.332SS..Hα-helixtrans-58.4-41.4173.5179.1-90000112F222 K271 N272 L273 F277 L278 Y279 E280F222-Y275 AromaticContact CE1-CD2 3.72Å; F222-Y275 HydrophobicContact CE1-CD2 3.72Å; F222-Y275 AromaticContact CE1-CE2 3.67Å; F222-Y275 HydrophobicContact CE1-CE2 3.67Å; F222-Y275 HydrophobicContact CZ-CD2 4.2Å; F222-Y275 AromaticContact CZ-CE2 3.69Å; F222-Y275 HydrophobicContact CZ-CE2 3.69Å; K271-Y275 VanDerWaalsContact O-CB 3.31Å; K271-Y275 WeakPolarHBondContact O-CB 3.38Å; K271-Y275 PolarHBondContact O-N 3.48Å; N272-Y275 WeakPolarHBondContact O-CA 3.31Å; N272-Y275 VanDerWaalsContact O-CB 3.32Å; N272-Y275 WeakPolarHBondContact O-CB 3.41Å; N272-Y275 PolarHBondContact O-N 3.17Å; N272-Y275 VanDerWaalsContact O-N 3.12Å; L273-Y275 VanDerWaalsContact C-N 3.28Å; L273-Y275 PolarHBondContact O-N 3.27Å; Y275-F277 PolarHBondContact O-N 3.21Å; Y275-L278 PolarHBondContact O-N 3.33Å; Y275-Y279 AromaticContact CD2-CD2 3.23Å; Y275-Y279 HydrophobicContact CD2-CD2 3.23Å; Y275-Y279 AromaticContact CD2-CE2 3.91Å; Y275-Y279 HydrophobicContact CD2-CE2 3.91Å; Y275-Y279 AromaticContact CD2-CG 3.98Å; Y275-Y279 HydrophobicContact CD2-CG 3.98Å; Y275-Y279 AromaticContact CE2-CD2 3.56Å; Y275-Y279 HydrophobicContact CE2-CD2 3.56Å; Y275-Y279 HydrophobicContact CE2-CE2 4.37Å; Y275-Y279 AromaticContact CE2-CG 3.84Å; Y275-Y279 HydrophobicContact CE2-CG 3.84Å; Y275-Y279 AromaticContact CG-CD2 3.91Å; Y275-Y279 HydrophobicContact CG-CD2 3.91Å; Y275-Y279 PolarHBondContact O-N 3.46Å; Y275-E280 HydrophobicContact CD1-CG 3.98Å; Y275-E280 HydrophobicContact CE1-CG 3.81Å; Y275-E280 PolarHBondContact O-N 3.4Å
276K88.3Confident85.9Confident72 Ų7266.7 Ų66.731%0.31333%0.329SS..Hα-helixtrans-59.3-47176.5-54.2-154.5161.9161.90112.1N272 L273 L274 L278 E280 P284N272-K276 WeakPolarHBondContact O-CG 3.39Å; N272-K276 PolarHBondContact O-N 2.79Å; N272-K276 WeakPolarHBondContact OD1-CE 3.49Å; L273-K276 WeakPolarHBondContact O-CB 3.38Å; L273-K276 PolarHBondContact O-N 2.84Å; L274-K276 VanDerWaalsContact C-N 3.29Å; L274-K276 PolarHBondContact O-N 2.72Å; K276-L278 PolarHBondContact O-N 2.82Å; K276-E280 HydrophobicContact CB-CB 4.32Å; K276-E280 HydrophobicContact CB-CG 4.34Å; K276-E280 WeakPolarHBondContact CD-OE2 2.9Å; K276-E280 WeakPolarHBondContact CE-OE2 3.31Å; K276-E280 VanDerWaalsContact CG-CD 3.46Å; K276-E280 HydrophobicContact CG-CG 4.39Å; K276-E280 WeakPolarHBondContact CG-OE2 3.14Å; K276-E280 WeakPolarHBondContact O-CB 3.5Å; K276-E280 PolarHBondContact O-N 2.98Å; K276-P284 HydrophobicContact CB-CB 4.05Å; K276-P284 HydrophobicContact CB-CG 4.24Å
277F87.7Confident85.6Confident35 Ų3573.4 Ų73.415%0.15435%0.348CS..Hα-helixtrans-64.8-37.4178-83.5-70.9000113.7M242 D245 L246 L273 L274 Y275 P284 V286M242-F277 HydrophobicContact CB-CD1 3.61Å; M242-F277 HydrophobicContact CB-CE1 3.79Å; M242-F277 HydrophobicContact CB-CG 4.12Å; M242-F277 HydrophobicContact CB-CZ 4.43Å; M242-F277 HydrophobicContact CG-CB 4.13Å; M242-F277 HydrophobicContact CG-CD1 3.51Å; M242-F277 HydrophobicContact CG-CD2 3.78Å; M242-F277 HydrophobicContact CG-CE1 3.64Å; M242-F277 HydrophobicContact CG-CE2 3.91Å; M242-F277 HydrophobicContact CG-CG 3.56Å; M242-F277 HydrophobicContact CG-CZ 3.82Å; M242-F277 HydrophobicContact SD-CB 3.26Å; M242-F277 WeakPolarHBondContact SD-CB 3.45Å; M242-F277 HydrophobicContact SD-CD1 3.85Å; M242-F277 HydrophobicContact SD-CD2 3.5Å; M242-F277 VanDerWaalsContact SD-CD2 3.5Å; M242-F277 HydrophobicContact SD-CE1 4.48Å; M242-F277 HydrophobicContact SD-CE2 4.2Å; M242-F277 HydrophobicContact SD-CG 3.28Å; M242-F277 WeakPolarHBondContact SD-CG 3.44Å; D245-F277 HydrophobicContact CB-CE1 4.42Å; D245-F277 HydrophobicContact CB-CZ 4.34Å; L246-F277 HydrophobicContact CD1-CE2 4.36Å; L246-F277 HydrophobicContact CD2-CE2 3.96Å; L246-F277 HydrophobicContact CD2-CZ 4.27Å; L246-F277 HydrophobicContact CG-CE2 4.17Å; L246-F277 HydrophobicContact CG-CZ 4.21Å; L273-F277 HydrophobicContact CD1-CD2 3.94Å; L273-F277 HydrophobicContact CD1-CE2 3.69Å; L273-F277 HydrophobicContact CD2-CE2 4.33Å; L273-F277 HydrophobicContact CG-CD2 4.01Å; L273-F277 HydrophobicContact CG-CE2 3.88Å; L273-F277 WeakPolarHBondContact O-CD2 3.37Å; L273-F277 PolarHBondContact O-N 3.5Å; L273-F277 VanDerWaalsContact O-N 3.08Å; L274-F277 PolarHBondContact O-N 2.88Å; Y275-F277 PolarHBondContact O-N 3.21Å; F277-P284 HydrophobicContact CB-CG 4.49Å; F277-P284 HydrophobicContact CD1-CG 3.39Å; F277-P284 HydrophobicContact CD2-CG 3.73Å; F277-P284 HydrophobicContact CE1-CG 3.41Å; F277-P284 VanDerWaalsContact CE1-CG 3.41Å; F277-P284 HydrophobicContact CE2-CG 3.73Å; F277-P284 HydrophobicContact CG-CG 3.58Å; F277-P284 HydrophobicContact CZ-CG 3.6Å; F277-V286 HydrophobicContact CE2-CG1 4.03Å; F277-V286 HydrophobicContact CZ-CG1 3.46Å; F277-V286 VanDerWaalsContact CZ-CG1 3.46Å
278L83.9Confident85.5Confident22 Ų2273 Ų7312%0.11535%0.353CS..Hα-helixtrans-88.7-30.9-171.8-63.7-177.9000113.9Y231 M242 L274 Y275 K276Y231-L278 HydrophobicContact CD1-CD2 4.26Å; Y231-L278 HydrophobicContact CE1-CD2 3.36Å; M242-L278 HydrophobicContact CE-CD2 4.4Å; L274-L278 HydrophobicContact CD1-CD1 3.86Å; L274-L278 HydrophobicContact CD1-CD2 4.49Å; L274-L278 HydrophobicContact CD1-CG 3.99Å; L274-L278 HydrophobicContact CD2-CD1 4.44Å; L274-L278 HydrophobicContact CG-CD1 3.76Å; L274-L278 HydrophobicContact CG-CG 4.24Å; L274-L278 WeakPolarHBondContact O-CB 3.4Å; L274-L278 WeakPolarHBondContact O-CG 3.22Å; L274-L278 PolarHBondContact O-N 2.81Å; Y275-L278 PolarHBondContact O-N 3.33Å; K276-L278 PolarHBondContact O-N 2.82Å
279Y78.9Confident85.4Confident49 Ų4970.1 Ų70.119%0.19233%0.33CS..Hα-helixtrans-133.2-29.4-166.9-53-74.3000114.5R218 F222 Y275R218-Y279 VanDerWaalsContact CZ-O 3.28Å; R218-Y279 PolarHBondContact NH1-O 3.48Å; R218-Y279 PolarHBondContact NH2-O 3.16Å; F222-Y279 HydrophobicContact CE1-CE2 4.49Å; Y275-Y279 AromaticContact CD2-CD2 3.23Å; Y275-Y279 HydrophobicContact CD2-CD2 3.23Å; Y275-Y279 AromaticContact CD2-CE2 3.91Å; Y275-Y279 HydrophobicContact CD2-CE2 3.91Å; Y275-Y279 AromaticContact CD2-CG 3.98Å; Y275-Y279 HydrophobicContact CD2-CG 3.98Å; Y275-Y279 AromaticContact CE2-CD2 3.56Å; Y275-Y279 HydrophobicContact CE2-CD2 3.56Å; Y275-Y279 HydrophobicContact CE2-CE2 4.37Å; Y275-Y279 AromaticContact CE2-CG 3.84Å; Y275-Y279 HydrophobicContact CE2-CG 3.84Å; Y275-Y279 AromaticContact CG-CD2 3.91Å; Y275-Y279 HydrophobicContact CG-CD2 3.91Å; Y275-Y279 PolarHBondContact O-N 3.46Å
280E70.3Confident85.1Confident84 Ų8469.4 Ų69.439%0.39334%0.34SS..SBendtrans-71.8154.4172.2-63.3-178.3-173.700110.2Y275 K276Y275-E280 HydrophobicContact CD1-CG 3.98Å; Y275-E280 HydrophobicContact CE1-CG 3.81Å; Y275-E280 PolarHBondContact O-N 3.4Å; K276-E280 HydrophobicContact CB-CB 4.32Å; K276-E280 HydrophobicContact CB-CG 4.34Å; K276-E280 WeakPolarHBondContact CD-OE2 2.9Å; K276-E280 WeakPolarHBondContact CE-OE2 3.31Å; K276-E280 VanDerWaalsContact CG-CD 3.46Å; K276-E280 HydrophobicContact CG-CG 4.39Å; K276-E280 WeakPolarHBondContact CG-OE2 3.14Å; K276-E280 WeakPolarHBondContact O-CB 3.5Å; K276-E280 PolarHBondContact O-N 2.98Å
281R57.7Low85Confident113 Ų11370.9 Ų70.943%0.42635%0.348SS..SBendtrans-84134.1179.7-72.8-175.9170118.75.1109.3E181 G200E181-R281 VanDerWaalsContact OE1-CD 3.27Å; E181-R281 WeakPolarHBondContact OE1-CD 3.28Å; E181-R281 IonicContact OE1-CZ 2.66Å; E181-R281 IonicContact OE1-NE 3.97Å; E181-R281 PolarHBondContact OE1-NE 3.01Å; G200-R281 PolarHBondContact O-NH2 2.79Å
282G66.7Low85.3Confident57 Ų5766.8 Ų66.859%0.58833%0.331SS*.SBendtrans94.8174178.200000113.8P284G282-P284 WeakPolarHBondContact O-CD 3.25Å
283R73.7Confident85.5Confident174 Ų17463 Ų6366%0.65731%0.311SS*.  trans-86.9113.5177-166.2-173.2-160.1173.18.4107.7D245 N285D245-R283 IonicContact OD1-CZ 2.77Å; D245-R283 IonicContact OD1-NE 2.99Å; D245-R283 PolarHBondContact OD1-NE 2.86Å; D245-R283 IonicContact OD1-NH2 3.65Å; D245-R283 PolarHBondContact OD1-NH2 3.2Å; D245-R283 WeakPolarHBondContact OD2-CG 3.38Å; D245-R283 IonicContact OD2-CZ 3.74Å; D245-R283 IonicContact OD2-NE 3.52Å; D245-R283 PolarHBondContact OD2-NE 2.95Å; D245-R283 IonicContact OD2-NH2 2.77Å; R283-N285 PolarHBondContact O-N 3.02Å
284P81.3Confident85.7Confident23 Ų2362.9 Ų62.915%0.14931%0.31CS..  trans-60.8138.3175.925.8-32.7000109.1L273 K276 F277 G282 V286L273-P284 HydrophobicContact CD1-CB 4.41Å; L273-P284 HydrophobicContact CD1-CG 4.48Å; K276-P284 HydrophobicContact CB-CB 4.05Å; K276-P284 HydrophobicContact CB-CG 4.24Å; F277-P284 HydrophobicContact CB-CG 4.49Å; F277-P284 HydrophobicContact CD1-CG 3.39Å; F277-P284 HydrophobicContact CD2-CG 3.73Å; F277-P284 HydrophobicContact CE1-CG 3.41Å; F277-P284 VanDerWaalsContact CE1-CG 3.41Å; F277-P284 HydrophobicContact CE2-CG 3.73Å; F277-P284 HydrophobicContact CG-CG 3.58Å; F277-P284 HydrophobicContact CZ-CG 3.6Å; G282-P284 WeakPolarHBondContact O-CD 3.25Å; P284-V286 PolarHBondContact O-N 2.77Å
285N86Confident86Confident93 Ų9362.7 Ų62.750%0.49731%0.309SS..  trans-76.295.8177.8-1731.9000109.5R283 R287 T288R283-N285 PolarHBondContact O-N 3.02Å; N285-R287 PolarHBondContact O-N 2.86Å; N285-R287 VanDerWaalsContact O-N 3.12Å; N285-R287 WeakPolarHBondContact OD1-CB 3.02Å; N285-R287 PolarHBondContact OD1-N 3.41Å; N285-T288 HydrophobicContact CB-CG2 3.98Å; N285-T288 PolarHBondContact O-N 3.24Å; N285-T288 VanDerWaalsContact O-N 3.09Å; N285-T288 PolarHBondContact O-OG1 2.97Å
286V90.1Very high86.5Confident12 Ų1258.4 Ų58.47%0.07329%0.292CS..G310 helixtrans-58.6-24.5-179.5-67.60000113.5D245 L246 E249 F277 P284 T288 I289 L295D245-V286 HydrophobicContact CB-CG1 4.22Å; D245-V286 HydrophobicContact CB-CG2 4.44Å; L246-V286 HydrophobicContact CD2-CG1 4.13Å; E249-V286 HydrophobicContact CB-CB 4.3Å; E249-V286 HydrophobicContact CB-CG2 3.79Å; E249-V286 HydrophobicContact CG-CB 4.19Å; E249-V286 HydrophobicContact CG-CG2 3.96Å; F277-V286 HydrophobicContact CE2-CG1 4.03Å; F277-V286 HydrophobicContact CZ-CG1 3.46Å; F277-V286 VanDerWaalsContact CZ-CG1 3.46Å; P284-V286 PolarHBondContact O-N 2.77Å; V286-T288 PolarHBondContact O-N 3.49Å; V286-I289 WeakPolarHBondContact O-CB 3.03Å; V286-I289 PolarHBondContact O-N 2.64Å; V286-L295 HydrophobicContact CB-CD2 4.38Å
287R90.4Very high87Confident196 Ų19655.5 Ų55.574%0.7428%0.283SS*.G310 helixtrans-65.4-24.7177.3-66.3174.9175.7163.6-1.7113.5E249 N285 I289E249-R287 WeakPolarHBondContact OE2-CG 3.37Å; N285-R287 PolarHBondContact O-N 2.86Å; N285-R287 VanDerWaalsContact O-N 3.12Å; N285-R287 WeakPolarHBondContact OD1-CB 3.02Å; N285-R287 PolarHBondContact OD1-N 3.41Å; R287-I289 PolarHBondContact O-N 3.36Å
288T91.9Very high87.5Confident109 Ų10953.8 Ų53.867%0.66928%0.276SS*.G310 helixtrans-75.7-7.1179.765.80000112.8N285 V286N285-T288 HydrophobicContact CB-CG2 3.98Å; N285-T288 PolarHBondContact O-N 3.24Å; N285-T288 VanDerWaalsContact O-N 3.09Å; N285-T288 PolarHBondContact O-OG1 2.97Å; V286-T288 PolarHBondContact O-N 3.49Å
289I93.8Very high88.1Confident30 Ų3052.8 Ų52.815%0.15427%0.27CS..  trans-95.5101.4-174-58.4167000107.3R253 L273 V286 R287 D291 V294 L295R253-I289 PolarHBondContact NH2-O 2.87Å; L273-I289 HydrophobicContact CD1-CD1 3.26Å; L273-I289 HydrophobicContact CD2-CD1 3.43Å; L273-I289 VanDerWaalsContact CD2-CD1 3.43Å; L273-I289 HydrophobicContact CG-CD1 3.89Å; V286-I289 WeakPolarHBondContact O-CB 3.03Å; V286-I289 PolarHBondContact O-N 2.64Å; R287-I289 PolarHBondContact O-N 3.36Å; I289-D291 VanDerWaalsContact C-N 3.33Å; I289-D291 PolarHBondContact O-N 3.34Å; I289-V294 HydrophobicContact CG2-CB 4Å; I289-V294 HydrophobicContact CG2-CG1 3.96Å; I289-L295 HydrophobicContact CB-CD2 4.05Å; I289-L295 HydrophobicContact CD1-CD2 3.87Å; I289-L295 HydrophobicContact CG2-CD2 3.96Å; I289-L295 HydrophobicContact CG2-CG 4.44Å
290S90.8Very high89Confident101 Ų10152 Ų5271%0.70627%0.268SS*.  trans-63.2-35.8-17553.60000113.9R253 V292R253-S290 PolarHBondContact NH1-O 2.94Å; S290-V292 PolarHBondContact O-N 3.34Å
291D95.7Very high90.2Very high40 Ų4049.4 Ų49.421%0.21426%0.255CS..  trans-86.2114.4-173.8-174.62.5000112.7P266 I289 A293 V294P266-D291 VanDerWaalsContact CD-OD2 3.3Å; P266-D291 WeakPolarHBondContact CD-OD2 3.47Å; I289-D291 VanDerWaalsContact C-N 3.33Å; I289-D291 PolarHBondContact O-N 3.34Å; D291-A293 PolarHBondContact O-N 3.09Å; D291-A293 VanDerWaalsContact OD1-CB 3.22Å; D291-A293 WeakPolarHBondContact OD1-CB 3.25Å; D291-A293 PolarHBondContact OD1-N 2.91Å; D291-V294 HydrophobicContact CB-CB 4.4Å; D291-V294 HydrophobicContact CB-CG2 3.85Å; D291-V294 WeakPolarHBondContact O-CB 3.46Å; D291-V294 PolarHBondContact O-N 3.1Å; D291-V294 VanDerWaalsContact O-N 3.14Å
292V97.5Very high92Very high10 Ų1044.2 Ų44.26%0.06124%0.236CC..Hα-helixtrans-63.3-30.4176.3179.30000111.5R253 Y257 L260 S290 V294 L295 T296R253-V292 HydrophobicContact CG-CG2 4.36Å; Y257-V292 HydrophobicContact CD2-CB 4.15Å; L260-V292 HydrophobicContact CD1-CG1 3.51Å; S290-V292 PolarHBondContact O-N 3.34Å; V292-V294 PolarHBondContact O-N 3.46Å; V292-L295 WeakPolarHBondContact O-CB 3.32Å; V292-L295 PolarHBondContact O-N 3.22Å; V292-L295 VanDerWaalsContact O-N 3.12Å; V292-T296 HydrophobicContact CG1-CG2 4.38Å; V292-T296 PolarHBondContact O-N 2.95Å; V292-T296 PolarHBondContact O-OG1 3.36Å
293A97.8Very high93.4Very high2 Ų241.6 Ų41.62%0.01721%0.208CC..Hα-helixtrans-65.7-27.117700000111.9G265 D291 T296 G297G265-A293 PolarHBondContact N-O 2.93Å; D291-A293 PolarHBondContact O-N 3.09Å; D291-A293 VanDerWaalsContact OD1-CB 3.22Å; D291-A293 WeakPolarHBondContact OD1-CB 3.25Å; D291-A293 PolarHBondContact OD1-N 2.91Å; A293-T296 WeakPolarHBondContact CA-OG1 3.44Å; A293-T296 PolarHBondContact O-OG1 2.99Å; A293-T296 VanDerWaalsContact O-OG1 3.12Å; A293-G297 PolarHBondContact O-N 3.24Å
294V98.2Very high94.3Very high3 Ų338.1 Ų38.12%0.01820%0.199CC..Hα-helixtrans-70.9-40.4172.1177.30000111.1K269 V270 L273 I289 D291 V292 C298K269-V294 HydrophobicContact CB-CG1 3.94Å; K269-V294 HydrophobicContact CB-CG2 3.79Å; K269-V294 HydrophobicContact CD-CG2 4.14Å; V270-V294 HydrophobicContact CG2-CB 4.49Å; V270-V294 HydrophobicContact CG2-CG1 4.24Å; L273-V294 HydrophobicContact CB-CG1 4.48Å; L273-V294 HydrophobicContact CD2-CG1 4.16Å; I289-V294 HydrophobicContact CG2-CB 4Å; I289-V294 HydrophobicContact CG2-CG1 3.96Å; D291-V294 HydrophobicContact CB-CB 4.4Å; D291-V294 HydrophobicContact CB-CG2 3.85Å; D291-V294 WeakPolarHBondContact O-CB 3.46Å; D291-V294 PolarHBondContact O-N 3.1Å; D291-V294 VanDerWaalsContact O-N 3.14Å; V292-V294 PolarHBondContact O-N 3.46Å; V294-C298 VanDerWaalsContact O-CB 3.32Å; V294-C298 WeakPolarHBondContact O-CB 3.49Å; V294-C298 PolarHBondContact O-N 2.98Å
295L98.2Very high94.6Very high0 Ų040.6 Ų40.60%021%0.209CC..Hα-helixtrans-64.7-50.4178-59.9-176000111.5L246 E249 I250 L273 V286 I289 V292 G297 C298 L299L246-L295 HydrophobicContact CD2-CB 4.27Å; L246-L295 HydrophobicContact CD2-CD2 3.88Å; E249-L295 HydrophobicContact CB-CD1 4.03Å; E249-L295 HydrophobicContact CG-CD1 3.44Å; E249-L295 VanDerWaalsContact CG-CD1 3.44Å; I250-L295 HydrophobicContact CD1-CB 4.01Å; I250-L295 HydrophobicContact CG1-CB 3.78Å; I250-L295 HydrophobicContact CG1-CD1 4.15Å; L273-L295 HydrophobicContact CD2-CD2 3.96Å; V286-L295 HydrophobicContact CB-CD2 4.38Å; I289-L295 HydrophobicContact CB-CD2 4.05Å; I289-L295 HydrophobicContact CD1-CD2 3.87Å; I289-L295 HydrophobicContact CG2-CD2 3.96Å; I289-L295 HydrophobicContact CG2-CG 4.44Å; V292-L295 WeakPolarHBondContact O-CB 3.32Å; V292-L295 PolarHBondContact O-N 3.22Å; V292-L295 VanDerWaalsContact O-N 3.12Å; L295-G297 VanDerWaalsContact C-N 3.34Å; L295-G297 PolarHBondContact O-N 3.06Å; L295-C298 WeakPolarHBondContact O-CB 3.23Å; L295-C298 PolarHBondContact O-N 3.19Å; L295-L299 PolarHBondContact O-N 3.15Å
296T98.3Very high94.7Very high1 Ų136.5 Ų36.51%0.00619%0.187CC..Hα-helixtrans-62.8-41177.554.50000111.7I250 L260 Y261 V292 A293 C298 L299 K300I250-T296 HydrophobicContact CD1-CG2 3.86Å; I250-T296 HydrophobicContact CG1-CG2 4.24Å; I250-T296 HydrophobicContact CG2-CG2 4.37Å; L260-T296 HydrophobicContact CD1-CG2 3.44Å; L260-T296 VanDerWaalsContact CD1-CG2 3.44Å; L260-T296 HydrophobicContact CG-CG2 3.98Å; Y261-T296 VanDerWaalsContact CD1-CB 3.49Å; Y261-T296 HydrophobicContact CD1-CG2 3.75Å; Y261-T296 HydrophobicContact CD2-CG2 4.32Å; Y261-T296 HydrophobicContact CE1-CG2 3.6Å; Y261-T296 HydrophobicContact CE2-CG2 4.19Å; Y261-T296 HydrophobicContact CG-CG2 4.1Å; V292-T296 HydrophobicContact CG1-CG2 4.38Å; V292-T296 PolarHBondContact O-N 2.95Å; V292-T296 PolarHBondContact O-OG1 3.36Å; A293-T296 WeakPolarHBondContact CA-OG1 3.44Å; A293-T296 PolarHBondContact O-OG1 2.99Å; A293-T296 VanDerWaalsContact O-OG1 3.12Å; T296-C298 VanDerWaalsContact C-N 3.35Å; T296-C298 PolarHBondContact O-N 3.36Å; T296-L299 PolarHBondContact O-N 3.43Å; T296-K300 WeakPolarHBondContact O-CG 3.42Å; T296-K300 PolarHBondContact O-N 3.45Å
297G98Very high94.2Very high11 Ų1139.4 Ų39.411%0.11320%0.204CC..Hα-helixtrans-59.7-43.2173.500000112.4V270 A293 L295 K301V270-G297 VanDerWaalsContact CG1-C 3.48Å; A293-G297 PolarHBondContact O-N 3.24Å; L295-G297 VanDerWaalsContact C-N 3.34Å; L295-G297 PolarHBondContact O-N 3.06Å; G297-K301 WeakPolarHBondContact O-CB 3.48Å; G297-K301 PolarHBondContact O-N 3.05Å
298C97.4Very high93.7Very high0 Ų033.1 Ų33.10%018%0.183CC..Hα-helixtrans-64.8-43.3177.4-173.20000112L246 L273 V294 L295 T296 K301 F302L246-C298 HydrophobicContact CD1-CB 4.26Å; L246-C298 HydrophobicContact CD2-CB 4.43Å; L273-C298 HydrophobicContact CD2-CB 3.72Å; L273-C298 HydrophobicContact CG-CB 4.23Å; V294-C298 VanDerWaalsContact O-CB 3.32Å; V294-C298 WeakPolarHBondContact O-CB 3.49Å; V294-C298 PolarHBondContact O-N 2.98Å; L295-C298 WeakPolarHBondContact O-CB 3.23Å; L295-C298 PolarHBondContact O-N 3.19Å; T296-C298 VanDerWaalsContact C-N 3.35Å; T296-C298 PolarHBondContact O-N 3.36Å; C298-K301 PolarHBondContact O-N 3.41Å; C298-F302 PolarHBondContact O-N 2.88Å
299L98.2Very high93.7Very high0 Ų028.6 Ų28.60%016%0.156CC..Hα-helixtrans-61.6-49.7178-175.664.6000111.4V243 L246 V247 I250 Y261 L295 T296 K301 F302 F303 L354V243-L299 HydrophobicContact CB-CD1 4.25Å; V243-L299 HydrophobicContact CG1-CD1 4.08Å; V243-L299 HydrophobicContact CG2-CD1 3.99Å; L246-L299 HydrophobicContact CB-CB 4.44Å; L246-L299 HydrophobicContact CB-CD1 4.34Å; L246-L299 HydrophobicContact CD1-CB 4.02Å; L246-L299 HydrophobicContact CD1-CD1 4.15Å; V247-L299 HydrophobicContact CG2-CD2 3.88Å; I250-L299 HydrophobicContact CD1-CD2 4.47Å; Y261-L299 HydrophobicContact CE1-CD2 4.01Å; Y261-L299 VanDerWaalsContact OH-CD2 3.32Å; Y261-L299 WeakPolarHBondContact OH-CD2 3.43Å; L295-L299 PolarHBondContact O-N 3.15Å; T296-L299 PolarHBondContact O-N 3.43Å; L299-K301 VanDerWaalsContact C-N 3.32Å; L299-K301 PolarHBondContact O-N 3.41Å; L299-F302 WeakPolarHBondContact O-CB 3.47Å; L299-F302 PolarHBondContact O-N 2.69Å; L299-F303 HydrophobicContact CD1-CD2 4.43Å; L299-F303 HydrophobicContact CD1-CE2 3.74Å; L299-F303 HydrophobicContact CG-CD2 4.43Å; L299-F303 HydrophobicContact CG-CE2 4.02Å; L299-F303 VanDerWaalsContact O-CD2 3.27Å; L299-F303 WeakPolarHBondContact O-CD2 3.23Å; L299-F303 PolarHBondContact O-N 2.97Å; L299-L354 HydrophobicContact CD2-CD1 4.38Å
300K97.3Very high93.8Very high33 Ų3327.2 Ų27.214%0.14315%0.149CC..Hα-helixtrans-58.4-46.3176.1-71.4-170.8-60.1176.30111.3Y261 T296 F302 F303 Q304 V378 F379Y261-K300 HydrophobicContact CD1-CD 4.19Å; Y261-K300 HydrophobicContact CD1-CG 4.04Å; Y261-K300 WeakPolarHBondContact O-CE 3.35Å; Y261-K300 PolarHBondContact O-NZ 3.14Å; T296-K300 WeakPolarHBondContact O-CG 3.42Å; T296-K300 PolarHBondContact O-N 3.45Å; K300-F302 VanDerWaalsContact C-N 3.3Å; K300-F302 PolarHBondContact O-N 3.39Å; K300-F303 PolarHBondContact O-N 3.24Å; K300-Q304 VanDerWaalsContact O-CG 3.29Å; K300-Q304 WeakPolarHBondContact O-CG 3.49Å; K300-Q304 PolarHBondContact O-N 3.4Å; K300-V378 HydrophobicContact CD-CG1 3.87Å; K300-F379 HydrophobicContact CG-CE1 4.24Å; K300-F379 HydrophobicContact CG-CZ 4.2Å
301K95Very high94Very high30 Ų3022.4 Ų22.413%0.1312%0.115CC..Hα-helixtrans-65.7-33.4-176.2-165.3173.9-171.3-165.40112.8V270 K271 L274 G297 C298 L299 Q304 Q305V270-K301 HydrophobicContact CG1-CB 4.25Å; V270-K301 HydrophobicContact CG1-CD 3.86Å; K271-K301 VanDerWaalsContact CD-NZ 3.34Å; K271-K301 VanDerWaalsContact CE-NZ 3.29Å; L274-K301 HydrophobicContact CD2-CB 4.04Å; L274-K301 HydrophobicContact CD2-CD 3.86Å; L274-K301 HydrophobicContact CD2-CG 3.71Å; G297-K301 WeakPolarHBondContact O-CB 3.48Å; G297-K301 PolarHBondContact O-N 3.05Å; C298-K301 PolarHBondContact O-N 3.41Å; L299-K301 VanDerWaalsContact C-N 3.32Å; L299-K301 PolarHBondContact O-N 3.41Å; K301-Q304 PolarHBondContact O-N 2.77Å; K301-Q305 HydrophobicContact CG-CG 4.33Å; K301-Q305 WeakPolarHBondContact O-CB 3.33Å; K301-Q305 VanDerWaalsContact O-CG 3.27Å; K301-Q305 WeakPolarHBondContact O-CG 3.39Å; K301-Q305 PolarHBondContact O-N 2.96Å; K301-Q305 VanDerWaalsContact O-N 3.09Å
302F95.4Very high93.6Very high3 Ų320.7 Ų20.71%0.01311%0.106CC..Hα-helixtrans-57-53.7171.9166.5-112.7000111.4L228 Y231 P240 M242 V243 L274 C298 L299 K300 Q304 Q305 L306L228-F302 HydrophobicContact CD1-CE1 4.47Å; L228-F302 HydrophobicContact CD1-CZ 4.32Å; Y231-F302 HydrophobicContact CD1-CE2 4.29Å; Y231-F302 AromaticContact CD2-CE2 3.59Å; Y231-F302 HydrophobicContact CD2-CE2 3.59Å; Y231-F302 AromaticContact CD2-CZ 3.83Å; Y231-F302 HydrophobicContact CD2-CZ 3.83Å; Y231-F302 HydrophobicContact CE1-CE2 4.39Å; Y231-F302 AromaticContact CE2-CE2 3.68Å; Y231-F302 HydrophobicContact CE2-CE2 3.68Å; Y231-F302 HydrophobicContact CE2-CZ 4.33Å; Y231-F302 AromaticContact CG-CE2 3.88Å; Y231-F302 HydrophobicContact CG-CE2 3.88Å; Y231-F302 HydrophobicContact CG-CZ 4.08Å; P240-F302 HydrophobicContact CB-CE1 4.39Å; P240-F302 HydrophobicContact CB-CZ 4.16Å; P240-F302 HydrophobicContact CG-CE1 4.12Å; P240-F302 HydrophobicContact CG-CZ 3.95Å; M242-F302 HydrophobicContact CE-CB 3.69Å; M242-F302 HydrophobicContact CE-CD1 3.93Å; M242-F302 HydrophobicContact CE-CD2 3.06Å; M242-F302 HydrophobicContact CE-CE1 4.32Å; M242-F302 HydrophobicContact CE-CE2 3.51Å; M242-F302 HydrophobicContact CE-CG 3.26Å; M242-F302 HydrophobicContact CE-CZ 4.13Å; V243-F302 HydrophobicContact CG2-CD1 3.73Å; V243-F302 HydrophobicContact CG2-CE1 3.52Å; L274-F302 HydrophobicContact CD1-CB 4.08Å; C298-F302 PolarHBondContact O-N 2.88Å; L299-F302 WeakPolarHBondContact O-CB 3.47Å; L299-F302 PolarHBondContact O-N 2.69Å; K300-F302 VanDerWaalsContact C-N 3.3Å; K300-F302 PolarHBondContact O-N 3.39Å; F302-Q304 VanDerWaalsContact C-N 3.34Å; F302-Q304 PolarHBondContact O-N 2.93Å; F302-Q305 PolarHBondContact O-N 3.48Å; F302-Q305 VanDerWaalsContact O-N 3.17Å; F302-L306 HydrophobicContact CE2-CD2 4.05Å; F302-L306 HydrophobicContact CZ-CD2 4.1Å; F302-L306 PolarHBondContact O-N 3.41Å
303F96.3Very high93Very high2 Ų223.7 Ų23.71%0.00912%0.119CC..Hα-helixtrans-62.2-40.2179.3-70.1-64.5000112.3V243 L299 K300 Q305 L306 L310 T350 L354 T382V243-F303 HydrophobicContact CG1-CZ 4.26Å; V243-F303 HydrophobicContact CG2-CE2 4.41Å; V243-F303 HydrophobicContact CG2-CZ 3.9Å; L299-F303 HydrophobicContact CD1-CD2 4.43Å; L299-F303 HydrophobicContact CD1-CE2 3.74Å; L299-F303 HydrophobicContact CG-CD2 4.43Å; L299-F303 HydrophobicContact CG-CE2 4.02Å; L299-F303 VanDerWaalsContact O-CD2 3.27Å; L299-F303 WeakPolarHBondContact O-CD2 3.23Å; L299-F303 PolarHBondContact O-N 2.97Å; K300-F303 PolarHBondContact O-N 3.24Å; F303-Q305 PolarHBondContact O-N 3.2Å; F303-L306 HydrophobicContact CD1-CD1 4.07Å; F303-L306 PolarHBondContact O-N 3.21Å; F303-L310 HydrophobicContact CD1-CB 4.29Å; F303-L310 HydrophobicContact CD1-CD2 4.24Å; F303-L310 HydrophobicContact CE1-CD1 4.29Å; F303-L310 HydrophobicContact CE1-CD2 3.86Å; F303-L310 HydrophobicContact CE1-CG 4.49Å; F303-L310 HydrophobicContact CZ-CD2 4.39Å; F303-T350 HydrophobicContact CE1-CG2 3.7Å; F303-T350 HydrophobicContact CZ-CG2 3.88Å; F303-L354 HydrophobicContact CD2-CD2 4.5Å; F303-L354 HydrophobicContact CE2-CD1 4.26Å; F303-L354 HydrophobicContact CE2-CD2 3.99Å; F303-L354 HydrophobicContact CZ-CD2 4.16Å; F303-T382 HydrophobicContact CB-CG2 3.63Å
304Q92Very high92.4Very high102 Ų10229 Ų2948%0.47715%0.152SC..Hα-helixtrans-64.6-23.7177-69.2171-9.300114.1K300 K301 F302 T382K300-Q304 VanDerWaalsContact O-CG 3.29Å; K300-Q304 WeakPolarHBondContact O-CG 3.49Å; K300-Q304 PolarHBondContact O-N 3.4Å; K301-Q304 PolarHBondContact O-N 2.77Å; F302-Q304 VanDerWaalsContact C-N 3.34Å; F302-Q304 PolarHBondContact O-N 2.93Å; Q304-T382 HydrophobicContact CG-CG2 3.88Å; Q304-T382 PolarHBondContact NE2-OG1 3.43Å
305Q88.6Confident92Very high75 Ų7529.7 Ų29.735%0.3516%0.156SC..THydrogen-bonded Turntrans-94.9-2.2-177.8-74.8-170.5-15.800114R225 K301 F302 F303R225-Q305 WeakPolarHBondContact CB-O 3.24Å; R225-Q305 WeakPolarHBondContact CG-O 3.35Å; K301-Q305 HydrophobicContact CG-CG 4.33Å; K301-Q305 WeakPolarHBondContact O-CB 3.33Å; K301-Q305 VanDerWaalsContact O-CG 3.27Å; K301-Q305 WeakPolarHBondContact O-CG 3.39Å; K301-Q305 PolarHBondContact O-N 2.96Å; K301-Q305 VanDerWaalsContact O-N 3.09Å; F302-Q305 PolarHBondContact O-N 3.48Å; F302-Q305 VanDerWaalsContact O-N 3.17Å; F303-Q305 PolarHBondContact O-N 3.2Å
306L87.4Confident91.6Very high6 Ų629.9 Ų29.93%0.03116%0.157CC..BIsolated β-bridgetrans-62.1148.8172.3-60.9175.7000110R226 L228 Y231 F302 F303 E308R226-L306 CarbonylContact O-C 3.52Å; R226-L306 VanDerWaalsContact O-CA 3.31Å; R226-L306 WeakPolarHBondContact O-CA 3.49Å; L228-L306 HydrophobicContact CB-CD1 4.28Å; L228-L306 HydrophobicContact CD1-CD1 4.41Å; Y231-L306 HydrophobicContact CD2-CD2 4.26Å; Y231-L306 HydrophobicContact CE2-CD2 3.97Å; F302-L306 HydrophobicContact CE2-CD2 4.05Å; F302-L306 HydrophobicContact CZ-CD2 4.1Å; F302-L306 PolarHBondContact O-N 3.41Å; F303-L306 HydrophobicContact CD1-CD1 4.07Å; F303-L306 PolarHBondContact O-N 3.21Å; L306-E308 WeakPolarHBondContact CB-O 3.15Å; L306-E308 PolarHBondContact O-N 3.17Å
307V79.8Confident91.3Very high73 Ų7334.7 Ų34.744%0.44218%0.182SC..SBendtrans-56.5-42.4173.1175.70000109.9R225 R226 R227R225-V307 HydrophobicContact CB-CB 4.35Å; R225-V307 HydrophobicContact CB-CG2 3.63Å; R225-V307 WeakPolarHBondContact O-CG2 3.4Å; R226-V307 PolarHBondContact O-N 3.31Å; R227-V307 HydrophobicContact CG-CB 4.13Å; R227-V307 HydrophobicContact CG-CG2 4.18Å
308E81.1Confident91.1Very high64 Ų6438.1 Ų38.130%0.29920%0.195SC..SBendtrans-125.3137.1-180-178.1169.5-138.100108.1L306 P312 F313L306-E308 WeakPolarHBondContact CB-O 3.15Å; L306-E308 PolarHBondContact O-N 3.17Å; E308-P312 VanDerWaalsContact CD-CA 3.49Å; E308-P312 HydrophobicContact CG-CB 4.25Å; E308-P312 VanDerWaalsContact OE1-CA 3.23Å; E308-P312 WeakPolarHBondContact OE1-CA 3.23Å; E308-P312 WeakPolarHBondContact OE1-CB 3.26Å; E308-F313 HydrophobicContact CG-CD2 4.04Å; E308-F313 PolarHBondContact OE1-N 3.26Å
309P91.6Very high91Very high15 Ų1538.1 Ų38.110%0.09720%0.195CC..  trans-55.3167.1174.920.5-32.4000112.9I311 F313 V383 V384P309-I311 VanDerWaalsContact C-N 3.28Å; P309-I311 VanDerWaalsContact CG-O 3.26Å; P309-I311 WeakPolarHBondContact CG-O 3.42Å; P309-I311 CarbonylContact O-C 3.55Å; P309-I311 PolarHBondContact O-N 3.37Å; P309-F313 HydrophobicContact CG-CD1 4.01Å; P309-F313 HydrophobicContact CG-CD2 4.4Å; P309-F313 HydrophobicContact CG-CE1 3.69Å; P309-F313 HydrophobicContact CG-CE2 4.12Å; P309-F313 HydrophobicContact CG-CG 4.35Å; P309-F313 HydrophobicContact CG-CZ 3.76Å; P309-V383 WeakPolarHBondContact CB-O 3.37Å; P309-V384 WeakPolarHBondContact CG-O 3.46Å
310L95.3Very high90.8Very high0 Ų038.9 Ų38.90%020%0.199CC..SBendtrans-60.6-38.8-178.6179.558.1000112.1L228 F303 P312 S347 T350 L351 L354 V383L228-L310 HydrophobicContact CD2-CD1 3.64Å; F303-L310 HydrophobicContact CD1-CB 4.29Å; F303-L310 HydrophobicContact CD1-CD2 4.24Å; F303-L310 HydrophobicContact CE1-CD1 4.29Å; F303-L310 HydrophobicContact CE1-CD2 3.86Å; F303-L310 HydrophobicContact CE1-CG 4.49Å; F303-L310 HydrophobicContact CZ-CD2 4.39Å; L310-P312 WeakPolarHBondContact O-CD 3.3Å; L310-S347 WeakPolarHBondContact O-CB 3.38Å; L310-S347 PolarHBondContact O-OG 3.16Å; L310-T350 HydrophobicContact CD1-CG2 3.91Å; L310-T350 HydrophobicContact CD2-CG2 4.46Å; L310-L351 HydrophobicContact CD2-CB 4.1Å; L310-L351 HydrophobicContact CD2-CD1 3.89Å; L310-L351 HydrophobicContact CG-CB 4.25Å; L310-L351 HydrophobicContact CG-CD1 4.36Å; L310-L354 HydrophobicContact CD2-CD2 3.92Å; L310-V383 HydrophobicContact CB-CG1 4.25Å; L310-V383 HydrophobicContact CD2-CG1 4.28Å; L310-V383 PolarHBondContact N-O 3.3Å
311I95Very high90.7Very high0 Ų040.1 Ų40.10%021%0.212CC..SBendtrans-88.4110.7162.2-64.7172.3000106.9P309 F319 L351 V383 V384 V407 L411P309-I311 VanDerWaalsContact C-N 3.28Å; P309-I311 VanDerWaalsContact CG-O 3.26Å; P309-I311 WeakPolarHBondContact CG-O 3.42Å; P309-I311 CarbonylContact O-C 3.55Å; P309-I311 PolarHBondContact O-N 3.37Å; I311-F319 HydrophobicContact CD1-CD1 3.83Å; I311-F319 HydrophobicContact CD1-CE1 3.95Å; I311-F319 HydrophobicContact CD1-CG 4.41Å; I311-F319 HydrophobicContact CG2-CD2 4.06Å; I311-F319 HydrophobicContact CG2-CE2 4.2Å; I311-F319 HydrophobicContact CG2-CG 4.25Å; I311-L351 HydrophobicContact CG1-CD2 4.31Å; I311-V383 HydrophobicContact CD1-CG1 3.92Å; I311-V383 HydrophobicContact CG1-CG1 4.03Å; I311-V383 PolarHBondContact N-O 3.12Å; I311-V384 HydrophobicContact CD1-CG2 4.23Å; I311-V407 HydrophobicContact CD1-CG1 4.47Å; I311-L411 HydrophobicContact CD1-CD1 3.87Å
312P86.3Confident90.7Very high4 Ų439.1 Ų39.13%0.02621%0.208CC..  trans-51.2148.2179.9-30.740.2000113.4E308 L310 T314 S315 R316 L343 P344E308-P312 VanDerWaalsContact CD-CA 3.49Å; E308-P312 HydrophobicContact CG-CB 4.25Å; E308-P312 VanDerWaalsContact OE1-CA 3.23Å; E308-P312 WeakPolarHBondContact OE1-CA 3.23Å; E308-P312 WeakPolarHBondContact OE1-CB 3.26Å; L310-P312 WeakPolarHBondContact O-CD 3.3Å; P312-T314 PolarHBondContact O-N 3.09Å; P312-S315 PolarHBondContact O-N 3.19Å; P312-R316 PolarHBondContact O-N 3.28Å; P312-R316 VanDerWaalsContact O-N 3.16Å; P312-L343 HydrophobicContact CG-CD2 4.27Å; P312-P344 HydrophobicContact CG-CG 4.5Å
313F85.9Confident90.6Very high73 Ų7339.3 Ų39.332%0.3221%0.21SC..Hα-helixtrans-61.5-29.2176.8-69.3-60.6000111.5E308 P309 S315 R316 F387E308-F313 HydrophobicContact CG-CD2 4.04Å; E308-F313 PolarHBondContact OE1-N 3.26Å; P309-F313 HydrophobicContact CG-CD1 4.01Å; P309-F313 HydrophobicContact CG-CD2 4.4Å; P309-F313 HydrophobicContact CG-CE1 3.69Å; P309-F313 HydrophobicContact CG-CE2 4.12Å; P309-F313 HydrophobicContact CG-CG 4.35Å; P309-F313 HydrophobicContact CG-CZ 3.76Å; F313-S315 VanDerWaalsContact C-N 3.25Å; F313-S315 PolarHBondContact O-N 3.38Å; F313-R316 WeakPolarHBondContact O-CB 3.5Å; F313-R316 PolarHBondContact O-N 3.32Å; F313-F387 HydrophobicContact CD1-CD1 4.29Å; F313-F387 AromaticContact CD1-CE1 3.66Å; F313-F387 HydrophobicContact CD1-CE1 3.66Å; F313-F387 HydrophobicContact CD1-CZ 4.14Å; F313-F387 HydrophobicContact CE1-CD1 4.29Å; F313-F387 HydrophobicContact CE1-CE1 4.11Å; F313-F387 HydrophobicContact CG-CE1 4.26Å
314T86.1Confident90.4Very high115 Ų11542.3 Ų42.371%0.70623%0.229SC*.Hα-helixtrans-67.9-19.8176.955.90000114.5P312P312-T314 PolarHBondContact O-N 3.09Å
315S88.9Confident90.5Very high16 Ų1640 Ų4011%0.11222%0.218CC..Hα-helixtrans-109.5-3.2178.3-53.50000111.8P312 F313 D317 E318 F319P312-S315 PolarHBondContact O-N 3.19Å; F313-S315 VanDerWaalsContact C-N 3.25Å; F313-S315 PolarHBondContact O-N 3.38Å; S315-D317 PolarHBondContact O-N 2.93Å; S315-E318 WeakPolarHBondContact CA-OE2 3.4Å; S315-F319 WeakPolarHBondContact O-CD2 3.29Å; S315-F319 PolarHBondContact O-N 2.77Å
316R90Very high90.5Very high4 Ų444.3 Ų44.32%0.01524%0.243CC..Hα-helixtrans-65.8-44.2-167.4176.2179.8173.7-174.62.6112.1P312 F313 E318 F319 M320 V384 G385 E400P312-R316 PolarHBondContact O-N 3.28Å; P312-R316 VanDerWaalsContact O-N 3.16Å; F313-R316 WeakPolarHBondContact O-CB 3.5Å; F313-R316 PolarHBondContact O-N 3.32Å; R316-E318 VanDerWaalsContact C-N 3.3Å; R316-E318 PolarHBondContact O-N 3.28Å; R316-F319 PolarHBondContact O-N 2.88Å; R316-M320 HydrophobicContact CG-CG 4.15Å; R316-M320 WeakPolarHBondContact O-CB 3.21Å; R316-M320 WeakPolarHBondContact O-CG 3.4Å; R316-M320 PolarHBondContact O-N 3.15Å; R316-V384 HydrophobicContact CG-CG1 3.81Å; R316-G385 PolarHBondContact NH1-O 3.34Å; R316-G385 VanDerWaalsContact NH1-O 3.17Å; R316-G385 PolarHBondContact NH2-O 2.84Å; R316-E400 IonicContact CZ-OE1 3.41Å; R316-E400 IonicContact NH1-OE1 3.35Å; R316-E400 PolarHBondContact NH1-OE1 3.45Å; R316-E400 IonicContact NH2-OE1 2.62Å; R316-E400 PolarHBondContact NH2-OE1 2.84Å
317D91Very high90.7Very high102 Ų10246.8 Ų46.855%0.54526%0.256SS..Hα-helixtrans-67.3-34.5-173.5-70.3-24.4000111.3S315 M320 S321S315-D317 PolarHBondContact O-N 2.93Å; D317-M320 PolarHBondContact O-N 3.31Å; D317-S321 WeakPolarHBondContact O-CB 3.43Å; D317-S321 PolarHBondContact O-N 3.38Å
318E93.8Very high91.2Very high83 Ų8345.1 Ų45.139%0.38825%0.253SS..Hα-helixtrans-63.2-50.8174.2-67.172.9-160.800111.2S315 R316 M320 S321 I322 E339S315-E318 WeakPolarHBondContact CA-OE2 3.4Å; R316-E318 VanDerWaalsContact C-N 3.3Å; R316-E318 PolarHBondContact O-N 3.28Å; E318-M320 VanDerWaalsContact C-N 3.33Å; E318-M320 PolarHBondContact O-N 3.12Å; E318-S321 PolarHBondContact O-N 3.44Å; E318-I322 WeakPolarHBondContact O-CD1 3.26Å; E318-I322 VanDerWaalsContact O-CG1 3.27Å; E318-I322 WeakPolarHBondContact O-CG1 3.46Å; E318-I322 PolarHBondContact O-N 3.38Å; E318-E339 HydrophobicContact CB-CG 4.12Å; E318-E339 WeakPolarHBondContact CB-OE2 3.35Å
319F96.6Very high91.6Very high0 Ų045.3 Ų45.30%026%0.256CS..Hα-helixtrans-58.1-45.9176.3-83.7-108.4000111.3I311 S315 R316 I322 A323 I336 E339 I340 L343 V407 L411I311-F319 HydrophobicContact CD1-CD1 3.83Å; I311-F319 HydrophobicContact CD1-CE1 3.95Å; I311-F319 HydrophobicContact CD1-CG 4.41Å; I311-F319 HydrophobicContact CG2-CD2 4.06Å; I311-F319 HydrophobicContact CG2-CE2 4.2Å; I311-F319 HydrophobicContact CG2-CG 4.25Å; S315-F319 WeakPolarHBondContact O-CD2 3.29Å; S315-F319 PolarHBondContact O-N 2.77Å; R316-F319 PolarHBondContact O-N 2.88Å; F319-I322 PolarHBondContact O-N 2.93Å; F319-A323 PolarHBondContact O-N 3.35Å; F319-I336 HydrophobicContact CB-CD1 4.34Å; F319-I336 HydrophobicContact CD1-CD1 3.41Å; F319-I336 VanDerWaalsContact CD1-CD1 3.41Å; F319-I336 HydrophobicContact CD1-CG1 4.13Å; F319-I336 HydrophobicContact CE1-CD1 3.86Å; F319-I336 HydrophobicContact CE1-CG1 4.11Å; F319-I336 HydrophobicContact CG-CD1 3.95Å; F319-E339 HydrophobicContact CD2-CB 3.81Å; F319-E339 HydrophobicContact CD2-CG 4.41Å; F319-E339 HydrophobicContact CE2-CB 3.39Å; F319-E339 HydrophobicContact CE2-CG 4.43Å; F319-E339 HydrophobicContact CZ-CB 3.8Å; F319-I340 HydrophobicContact CE1-CG1 4.1Å; F319-I340 HydrophobicContact CZ-CG1 4.01Å; F319-L343 HydrophobicContact CE2-CD1 4.49Å; F319-L343 HydrophobicContact CE2-CD2 4.12Å; F319-L343 HydrophobicContact CE2-CG 4.37Å; F319-L343 HydrophobicContact CZ-CD1 3.91Å; F319-L343 HydrophobicContact CZ-CD2 4.35Å; F319-L343 HydrophobicContact CZ-CG 4.2Å; F319-V407 HydrophobicContact CB-CG1 4.16Å; F319-V407 HydrophobicContact CB-CG2 4.46Å; F319-V407 HydrophobicContact CD1-CG1 4.11Å; F319-V407 WeakPolarHBondContact O-CG2 3.4Å; F319-L411 HydrophobicContact CD1-CD1 4.46Å; F319-L411 HydrophobicContact CD1-CD2 4.44Å; F319-L411 HydrophobicContact CE1-CD1 4.44Å; F319-L411 HydrophobicContact CE1-CD2 4.01Å
320M94.4Very high91.5Very high16 Ų1650.7 Ų50.78%0.07928%0.275CS..Hα-helixtrans-65.7-39.3-179.5-66.5-77.9-83.400111.9R316 D317 E318 V324 V384 E400 K403 Q404 V407R316-M320 HydrophobicContact CG-CG 4.15Å; R316-M320 WeakPolarHBondContact O-CB 3.21Å; R316-M320 WeakPolarHBondContact O-CG 3.4Å; R316-M320 PolarHBondContact O-N 3.15Å; D317-M320 PolarHBondContact O-N 3.31Å; E318-M320 VanDerWaalsContact C-N 3.33Å; E318-M320 PolarHBondContact O-N 3.12Å; M320-V324 VanDerWaalsContact O-CG2 3.32Å; M320-V324 WeakPolarHBondContact O-CG2 3.32Å; M320-V324 PolarHBondContact O-N 2.92Å; M320-V384 HydrophobicContact CG-CG1 4.46Å; M320-V384 HydrophobicContact SD-CG1 4.1Å; M320-E400 HydrophobicContact CE-CG 4.32Å; M320-K403 HydrophobicContact CE-CB 3.25Å; M320-K403 HydrophobicContact CE-CD 4.02Å; M320-K403 HydrophobicContact CE-CG 4.28Å; M320-K403 HydrophobicContact SD-CB 3.84Å; M320-Q404 HydrophobicContact CE-CG 3.99Å; M320-Q404 HydrophobicContact SD-CG 3.97Å; M320-V407 HydrophobicContact CG-CG2 4.25Å; M320-V407 HydrophobicContact SD-CG2 3.69Å
321S94.8Very high91.4Very high60 Ų6052.3 Ų52.342%0.4229%0.288SS..Hα-helixtrans-63.6-47.9176.8-177.90000111.3D317 E318 A323 V324 Q325D317-S321 WeakPolarHBondContact O-CB 3.43Å; D317-S321 PolarHBondContact O-N 3.38Å; E318-S321 PolarHBondContact O-N 3.44Å; S321-A323 VanDerWaalsContact C-N 3.33Å; S321-A323 PolarHBondContact O-N 3Å; S321-V324 PolarHBondContact O-N 2.99Å; S321-Q325 VanDerWaalsContact O-CG 3.25Å; S321-Q325 WeakPolarHBondContact O-CG 3.28Å; S321-Q325 PolarHBondContact O-N 3.47Å; S321-Q325 PolarHBondContact OG-NE2 3.02Å
322I95.4Very high91.4Very high8 Ų853.8 Ų53.84%0.04130%0.295CS..Hα-helixtrans-59.9-43.4179.8-66.8161000111.5E318 F319 V324 Q325 Q332 R335 I336 E339 L410E318-I322 WeakPolarHBondContact O-CD1 3.26Å; E318-I322 VanDerWaalsContact O-CG1 3.27Å; E318-I322 WeakPolarHBondContact O-CG1 3.46Å; E318-I322 PolarHBondContact O-N 3.38Å; F319-I322 PolarHBondContact O-N 2.93Å; I322-V324 PolarHBondContact O-N 2.95Å; I322-Q325 PolarHBondContact O-N 3.39Å; I322-Q332 HydrophobicContact CG2-CB 4.25Å; I322-Q332 HydrophobicContact CG2-CG 4.48Å; I322-R335 HydrophobicContact CD1-CB 3.73Å; I322-R335 HydrophobicContact CG1-CB 3.86Å; I322-R335 HydrophobicContact CG2-CB 3.91Å; I322-I336 HydrophobicContact CB-CD1 4.41Å; I322-I336 HydrophobicContact CD1-CD1 4.25Å; I322-I336 HydrophobicContact CG2-CB 4.48Å; I322-I336 HydrophobicContact CG2-CD1 4.27Å; I322-E339 HydrophobicContact CD1-CG 3.39Å; I322-L410 HydrophobicContact CG2-CD2 3.96Å
323A92.6Very high91.7Very high7 Ų753.8 Ų53.86%0.05830%0.295CS..Hα-helixtrans-69.5-19.4-17600000114.3F319 S321 K406 V407F319-A323 PolarHBondContact O-N 3.35Å; S321-A323 VanDerWaalsContact C-N 3.33Å; S321-A323 PolarHBondContact O-N 3Å; A323-K406 HydrophobicContact CB-CB 3.99Å; A323-V407 HydrophobicContact CB-CB 4.24Å; A323-V407 HydrophobicContact CB-CG2 3.54Å
324V93Very high91.9Very high65 Ų6553.4 Ų53.439%0.39429%0.293SS..Hα-helixtrans-97.6-21180-179.80000112M320 S321 I322 K403M320-V324 VanDerWaalsContact O-CG2 3.32Å; M320-V324 WeakPolarHBondContact O-CG2 3.32Å; M320-V324 PolarHBondContact O-N 2.92Å; S321-V324 PolarHBondContact O-N 2.99Å; I322-V324 PolarHBondContact O-N 2.95Å; V324-K403 HydrophobicContact CG2-CB 4.33Å; V324-K403 HydrophobicContact CG2-CD 4.16Å; V324-K403 HydrophobicContact CG2-CG 3.67Å
325Q92.2Very high92.3Very high53 Ų5353.3 Ų53.325%0.24828%0.279CS..  trans-66.1131180-78.4167.821.500112.2S321 I322 I327 Q332S321-Q325 VanDerWaalsContact O-CG 3.25Å; S321-Q325 WeakPolarHBondContact O-CG 3.28Å; S321-Q325 PolarHBondContact O-N 3.47Å; S321-Q325 PolarHBondContact OG-NE2 3.02Å; I322-Q325 PolarHBondContact O-N 3.39Å; Q325-I327 VanDerWaalsContact C-N 3.29Å; Q325-I327 HydrophobicContact CB-CD1 4.38Å; Q325-I327 HydrophobicContact CB-CG1 4.13Å; Q325-I327 HydrophobicContact CB-CG2 4.2Å; Q325-I327 PolarHBondContact O-N 3.19Å; Q325-I327 VanDerWaalsContact O-N 3.08Å; Q325-Q332 PolarHBondContact O-NE2 3.3Å
326D89.9Confident92.6Very high166 Ų16652.6 Ų52.689%0.88827%0.274SS*.  trans-86.568.7174.1-166.416.6000111.2
327I90.9Very high92.7Very high59 Ų5953.6 Ų53.630%0.30328%0.279SS..SBendtrans-111.46.4-179.657.3171000112.6Q325 A331 Q332 R335Q325-I327 VanDerWaalsContact C-N 3.29Å; Q325-I327 HydrophobicContact CB-CD1 4.38Å; Q325-I327 HydrophobicContact CB-CG1 4.13Å; Q325-I327 HydrophobicContact CB-CG2 4.2Å; Q325-I327 PolarHBondContact O-N 3.19Å; Q325-I327 VanDerWaalsContact O-N 3.08Å; I327-A331 HydrophobicContact CB-CB 4.11Å; I327-A331 HydrophobicContact CD1-CB 3.84Å; I327-A331 HydrophobicContact CG1-CB 3.97Å; I327-A331 VanDerWaalsContact O-CB 3.27Å; I327-A331 WeakPolarHBondContact O-CB 3.45Å; I327-Q332 HydrophobicContact CD1-CG 4.13Å; I327-Q332 HydrophobicContact CG1-CG 3.73Å; I327-R335 HydrophobicContact CD1-CG 4.48Å
328G90.6Very high92.7Very high37 Ų3755.4 Ų55.438%0.38128%0.282SS..  trans77.9150.9-172.700000114.1R330 A331 Q332G328-R330 VanDerWaalsContact C-N 3.33Å; G328-R330 PolarHBondContact O-N 2.9Å; G328-A331 PolarHBondContact O-N 3.28Å; G328-Q332 WeakPolarHBondContact O-CG 3.3Å; G328-Q332 PolarHBondContact O-N 3.44Å
329L90.1Very high92.8Very high69 Ų6953.6 Ų53.636%0.36127%0.274SS..Hα-helixtrans-57.6-40.8-172-176.261000113.1A331 Q332 M333 L410 L438L329-A331 PolarHBondContact O-N 3.13Å; L329-Q332 PolarHBondContact O-N 3.08Å; L329-M333 HydrophobicContact CD1-CE 3.99Å; L329-M333 HydrophobicContact CD1-CG 4.42Å; L329-M333 HydrophobicContact CD2-CE 4.03Å; L329-M333 HydrophobicContact CG-CE 3.88Å; L329-M333 HydrophobicContact CG-CG 4.48Å; L329-M333 HydrophobicContact CG-SD 4.27Å; L329-M333 WeakPolarHBondContact O-CB 3.07Å; L329-M333 VanDerWaalsContact O-CG 3.3Å; L329-M333 WeakPolarHBondContact O-CG 3.49Å; L329-M333 PolarHBondContact O-N 3.31Å; L329-L410 HydrophobicContact CD1-CD1 3.79Å; L329-L438 HydrophobicContact CD2-CD2 3.78Å; L329-L438 HydrophobicContact CG-CD2 4.38Å
330R89.8Confident92.7Very high128 Ų12853.9 Ų53.948%0.48328%0.275SS..Hα-helixtrans-63.8-41.9-179.8-168.6178-172.7-172.70.9112.3G328 M333 K334G328-R330 VanDerWaalsContact C-N 3.33Å; G328-R330 PolarHBondContact O-N 2.9Å; R330-M333 PolarHBondContact O-N 3.14Å; R330-K334 WeakPolarHBondContact O-CG 3.37Å; R330-K334 PolarHBondContact O-N 3.49Å
331A92.9Very high92.5Very high34 Ų3456.3 Ų56.328%0.28129%0.291SS..Hα-helixtrans-71.8-37.6177.900000111.4I327 G328 L329 M333 K334 R335I327-A331 HydrophobicContact CB-CB 4.11Å; I327-A331 HydrophobicContact CD1-CB 3.84Å; I327-A331 HydrophobicContact CG1-CB 3.97Å; I327-A331 VanDerWaalsContact O-CB 3.27Å; I327-A331 WeakPolarHBondContact O-CB 3.45Å; G328-A331 PolarHBondContact O-N 3.28Å; L329-A331 PolarHBondContact O-N 3.13Å; A331-M333 VanDerWaalsContact C-N 3.35Å; A331-K334 PolarHBondContact O-N 2.97Å; A331-R335 WeakPolarHBondContact O-CG 3.46Å; A331-R335 PolarHBondContact O-N 2.87Å
332Q93.8Very high92.3Very high31 Ų3160.3 Ų60.315%0.14530%0.303CS..Hα-helixtrans-58.6-45.7171-71.3-178.2-1300111.4I322 Q325 I327 G328 L329 K334 R335 I336 L410I322-Q332 HydrophobicContact CG2-CB 4.25Å; I322-Q332 HydrophobicContact CG2-CG 4.48Å; Q325-Q332 PolarHBondContact O-NE2 3.3Å; I327-Q332 HydrophobicContact CD1-CG 4.13Å; I327-Q332 HydrophobicContact CG1-CG 3.73Å; G328-Q332 WeakPolarHBondContact O-CG 3.3Å; G328-Q332 PolarHBondContact O-N 3.44Å; L329-Q332 PolarHBondContact O-N 3.08Å; Q332-K334 PolarHBondContact O-N 2.68Å; Q332-R335 PolarHBondContact O-N 3.45Å; Q332-I336 WeakPolarHBondContact O-CB 3.45Å; Q332-I336 PolarHBondContact O-N 3.24Å; Q332-L410 HydrophobicContact CB-CD1 3.86Å; Q332-L410 HydrophobicContact CB-CD2 3.94Å
333M92.3Very high92Very high4 Ų460.2 Ų60.22%0.0230%0.302CS..Hα-helixtrans-61.2-42176.2-74.3179.3169.700112.5L329 R330 A331 R335 I336 H337 L410 S413 L414 F436L329-M333 HydrophobicContact CD1-CE 3.99Å; L329-M333 HydrophobicContact CD1-CG 4.42Å; L329-M333 HydrophobicContact CD2-CE 4.03Å; L329-M333 HydrophobicContact CG-CE 3.88Å; L329-M333 HydrophobicContact CG-CG 4.48Å; L329-M333 HydrophobicContact CG-SD 4.27Å; L329-M333 WeakPolarHBondContact O-CB 3.07Å; L329-M333 VanDerWaalsContact O-CG 3.3Å; L329-M333 WeakPolarHBondContact O-CG 3.49Å; L329-M333 PolarHBondContact O-N 3.31Å; R330-M333 PolarHBondContact O-N 3.14Å; A331-M333 VanDerWaalsContact C-N 3.35Å; M333-R335 VanDerWaalsContact C-N 3.34Å; M333-R335 PolarHBondContact O-N 2.94Å; M333-I336 WeakPolarHBondContact O-CG2 3.3Å; M333-H337 WeakPolarHBondContact O-CB 3.43Å; M333-H337 PolarHBondContact O-N 3.38Å; M333-L410 HydrophobicContact CG-CD1 4.15Å; M333-S413 VanDerWaalsContact CE-O 3.29Å; M333-S413 WeakPolarHBondContact CE-O 3.41Å; M333-L414 HydrophobicContact CB-CD2 4.42Å; M333-L414 HydrophobicContact CG-CD2 4.12Å; M333-F436 HydrophobicContact CB-CD1 4.01Å; M333-F436 HydrophobicContact CB-CD2 4.28Å; M333-F436 HydrophobicContact CB-CE1 4.28Å; M333-F436 HydrophobicContact CB-CG 4.02Å; M333-F436 HydrophobicContact CG-CD1 4.41Å; M333-F436 HydrophobicContact SD-CB 4.28Å; M333-F436 HydrophobicContact SD-CD1 3.93Å; M333-F436 HydrophobicContact SD-CG 4.33Å
334K91.1Very high91.7Very high64 Ų6463.2 Ų63.228%0.27832%0.321SS..Hα-helixtrans-62.1-39.7175-75.5-170.2179.5-158.30112.6R330 A331 Q332 A433 D434 F436R330-K334 WeakPolarHBondContact O-CG 3.37Å; R330-K334 PolarHBondContact O-N 3.49Å; A331-K334 PolarHBondContact O-N 2.97Å; Q332-K334 PolarHBondContact O-N 2.68Å; K334-A433 VanDerWaalsContact CE-O 3.26Å; K334-A433 WeakPolarHBondContact CE-O 3.28Å; K334-A433 WeakPolarHBondContact CG-O 3.4Å; K334-D434 IonicContact NZ-OD1 2.71Å; K334-D434 PolarHBondContact NZ-OD1 2.95Å; K334-F436 HydrophobicContact CG-CD2 4.43Å
335R94.4Very high91.5Very high114 Ų11463.6 Ų63.643%0.4332%0.321SS..Hα-helixtrans-73.4-45.6178.9-68.2-176.6-174-157.7-6111.6I322 I327 A331 Q332 M333 H337 K338 E339I322-R335 HydrophobicContact CD1-CB 3.73Å; I322-R335 HydrophobicContact CG1-CB 3.86Å; I322-R335 HydrophobicContact CG2-CB 3.91Å; I327-R335 HydrophobicContact CD1-CG 4.48Å; A331-R335 WeakPolarHBondContact O-CG 3.46Å; A331-R335 PolarHBondContact O-N 2.87Å; Q332-R335 PolarHBondContact O-N 3.45Å; M333-R335 VanDerWaalsContact C-N 3.34Å; M333-R335 PolarHBondContact O-N 2.94Å; R335-H337 PolarHBondContact O-N 3.19Å; R335-K338 WeakPolarHBondContact O-CB 3.4Å; R335-K338 PolarHBondContact O-N 2.84Å; R335-E339 PolarHBondContact O-N 2.99Å
336I95.1Very high91.2Very high0 Ų062 Ų620%032%0.315CS..Hα-helixtrans-62.5-32.6179-149.369.6000111.4F319 I322 Q332 M333 E339 I340 L410 L411 L414F319-I336 HydrophobicContact CB-CD1 4.34Å; F319-I336 HydrophobicContact CD1-CD1 3.41Å; F319-I336 VanDerWaalsContact CD1-CD1 3.41Å; F319-I336 HydrophobicContact CD1-CG1 4.13Å; F319-I336 HydrophobicContact CE1-CD1 3.86Å; F319-I336 HydrophobicContact CE1-CG1 4.11Å; F319-I336 HydrophobicContact CG-CD1 3.95Å; I322-I336 HydrophobicContact CB-CD1 4.41Å; I322-I336 HydrophobicContact CD1-CD1 4.25Å; I322-I336 HydrophobicContact CG2-CB 4.48Å; I322-I336 HydrophobicContact CG2-CD1 4.27Å; Q332-I336 WeakPolarHBondContact O-CB 3.45Å; Q332-I336 PolarHBondContact O-N 3.24Å; M333-I336 WeakPolarHBondContact O-CG2 3.3Å; I336-E339 PolarHBondContact O-N 2.98Å; I336-I340 HydrophobicContact CG2-CD1 4.44Å; I336-I340 VanDerWaalsContact O-CG1 3.25Å; I336-I340 WeakPolarHBondContact O-CG1 3.49Å; I336-I340 PolarHBondContact O-N 2.81Å; I336-L410 HydrophobicContact CB-CD2 3.99Å; I336-L410 HydrophobicContact CB-CG 4.49Å; I336-L410 HydrophobicContact CD1-CD2 4.03Å; I336-L410 HydrophobicContact CG1-CD2 4.03Å; I336-L410 HydrophobicContact CG1-CG 4.45Å; I336-L410 HydrophobicContact CG2-CD2 4.38Å; I336-L410 HydrophobicContact CG2-CG 4.38Å; I336-L411 HydrophobicContact CG1-CD2 3.78Å; I336-L414 HydrophobicContact CG2-CD1 4.21Å; I336-L414 HydrophobicContact CG2-CD2 3.84Å; I336-L414 HydrophobicContact CG2-CG 4.46Å
337H92Very high91.3Very high26 Ų2654.6 Ų54.612%0.1228%0.276CS..Hα-helixtrans-58.5-46.8172.7169.754.5000112.2M333 R335 E339 I340 V341 Y418 F436M333-H337 WeakPolarHBondContact O-CB 3.43Å; M333-H337 PolarHBondContact O-N 3.38Å; R335-H337 PolarHBondContact O-N 3.19Å; H337-E339 VanDerWaalsContact C-N 3.31Å; H337-E339 PolarHBondContact O-N 3.42Å; H337-I340 PolarHBondContact O-N 3.34Å; H337-V341 WeakPolarHBondContact O-CG2 3.46Å; H337-V341 PolarHBondContact O-N 2.85Å; H337-Y418 AromaticContact CE1-CE2 3.81Å; H337-Y418 AromaticContact ND1-CE2 3.23Å; H337-Y418 WeakPolarHBondContact ND1-CE2 3.37Å; H337-Y418 AromaticContact ND1-CZ 3.44Å; H337-Y418 PolarHBondContact ND1-OH 3.24Å; H337-F436 HydrophobicContact CB-CE2 4.06Å; H337-F436 HydrophobicContact CB-CZ 4Å
338K91.6Very high91.4Very high140 Ų14052.7 Ų52.761%0.60927%0.266SS*.Hα-helixtrans-58-47.1176.8-67-175.8176.6-171.40110.6R335 I340 V341 E342R335-K338 WeakPolarHBondContact O-CB 3.4Å; R335-K338 PolarHBondContact O-N 2.84Å; K338-I340 VanDerWaalsContact C-N 3.35Å; K338-I340 PolarHBondContact O-N 3.44Å; K338-V341 PolarHBondContact O-N 3.05Å; K338-V341 VanDerWaalsContact O-N 3.15Å; K338-E342 WeakPolarHBondContact O-CG 3.5Å; K338-E342 PolarHBondContact O-N 3.5Å
339E95.1Very high91.6Very high45 Ų4551.5 Ų51.521%0.2125%0.251CS..Hα-helixtrans-65-36.2179.5-57.4-50.613700113.2E318 F319 I322 R335 I336 H337 V341 E342 L343E318-E339 HydrophobicContact CB-CG 4.12Å; E318-E339 WeakPolarHBondContact CB-OE2 3.35Å; F319-E339 HydrophobicContact CD2-CB 3.81Å; F319-E339 HydrophobicContact CD2-CG 4.41Å; F319-E339 HydrophobicContact CE2-CB 3.39Å; F319-E339 HydrophobicContact CE2-CG 4.43Å; F319-E339 HydrophobicContact CZ-CB 3.8Å; I322-E339 HydrophobicContact CD1-CG 3.39Å; R335-E339 PolarHBondContact O-N 2.99Å; I336-E339 PolarHBondContact O-N 2.98Å; H337-E339 VanDerWaalsContact C-N 3.31Å; H337-E339 PolarHBondContact O-N 3.42Å; E339-V341 VanDerWaalsContact C-N 3.33Å; E339-V341 PolarHBondContact O-N 3.26Å; E339-E342 PolarHBondContact O-N 3.15Å; E339-L343 PolarHBondContact O-N 2.9Å
340I94.8Very high91.9Very high5 Ų548.2 Ų48.23%0.02623%0.233CC..Hα-helixtrans-63.7-40.3174.3-69.4165.1000110.8F319 I336 H337 K338 E342 L343 Q348 L411 L414 Y418 Y422F319-I340 HydrophobicContact CE1-CG1 4.1Å; F319-I340 HydrophobicContact CZ-CG1 4.01Å; I336-I340 HydrophobicContact CG2-CD1 4.44Å; I336-I340 VanDerWaalsContact O-CG1 3.25Å; I336-I340 WeakPolarHBondContact O-CG1 3.49Å; I336-I340 PolarHBondContact O-N 2.81Å; H337-I340 PolarHBondContact O-N 3.34Å; K338-I340 VanDerWaalsContact C-N 3.35Å; K338-I340 PolarHBondContact O-N 3.44Å; I340-E342 VanDerWaalsContact C-N 3.27Å; I340-E342 PolarHBondContact O-N 3.4Å; I340-L343 WeakPolarHBondContact O-CB 3.23Å; I340-L343 PolarHBondContact O-N 3.36Å; I340-Q348 VanDerWaalsContact O-CD 3.3Å; I340-Q348 VanDerWaalsContact O-CG 3.24Å; I340-Q348 WeakPolarHBondContact O-CG 3.19Å; I340-Q348 PolarHBondContact O-NE2 3Å; I340-L411 HydrophobicContact CD1-CD2 3.87Å; I340-L411 HydrophobicContact CG1-CD2 4.4Å; I340-L414 HydrophobicContact CD1-CD1 3.61Å; I340-Y418 HydrophobicContact CD1-CE1 4.35Å; I340-Y422 HydrophobicContact CG2-CE1 4.22Å; I340-Y422 HydrophobicContact CG2-CE2 4.15Å
341V91.1Very high92.3Very high68 Ų6842.2 Ų42.241%0.41221%0.211SC..Hα-helixtrans-66.1-30.3179.3171.90000112.1H337 K338 E339 L343 Q348H337-V341 WeakPolarHBondContact O-CG2 3.46Å; H337-V341 PolarHBondContact O-N 2.85Å; K338-V341 PolarHBondContact O-N 3.05Å; K338-V341 VanDerWaalsContact O-N 3.15Å; E339-V341 VanDerWaalsContact C-N 3.33Å; E339-V341 PolarHBondContact O-N 3.26Å; V341-L343 VanDerWaalsContact C-N 3.34Å; V341-Q348 PolarHBondContact O-NE2 3.01Å
342E89.2Confident92.5Very high144 Ų14440.8 Ų40.867%0.67320%0.199SC*.Hα-helixtrans-78.2-13.9176.9-64.6-57.4138.500113.8K338 E339 I340K338-E342 WeakPolarHBondContact O-CG 3.5Å; K338-E342 PolarHBondContact O-N 3.5Å; E339-E342 PolarHBondContact O-N 3.15Å; I340-E342 VanDerWaalsContact C-N 3.27Å; I340-E342 PolarHBondContact O-N 3.4Å
343L89.5Confident92.6Very high5 Ų540.8 Ų40.83%0.02620%0.198CC..SBendtrans-64.4154.1177.2-67.8-179.5000111.6P312 F319 E339 I340 V341 Q348 L351P312-L343 HydrophobicContact CG-CD2 4.27Å; F319-L343 HydrophobicContact CE2-CD1 4.49Å; F319-L343 HydrophobicContact CE2-CD2 4.12Å; F319-L343 HydrophobicContact CE2-CG 4.37Å; F319-L343 HydrophobicContact CZ-CD1 3.91Å; F319-L343 HydrophobicContact CZ-CD2 4.35Å; F319-L343 HydrophobicContact CZ-CG 4.2Å; E339-L343 PolarHBondContact O-N 2.9Å; I340-L343 WeakPolarHBondContact O-CB 3.23Å; I340-L343 PolarHBondContact O-N 3.36Å; V341-L343 VanDerWaalsContact C-N 3.34Å; L343-Q348 HydrophobicContact CB-CG 3.67Å; L343-Q348 PolarHBondContact O-NE2 3.27Å; L343-L351 HydrophobicContact CD1-CD2 3.89Å
344P86.6Confident92.9Very high70 Ų7040.6 Ų40.646%0.45520%0.197SC..  trans-58.9141.1169.1-23.834.1000111.9P312 P346 S347 Q348P312-P344 HydrophobicContact CG-CG 4.5Å; P344-P346 VanDerWaalsContact C-CD 3.48Å; P344-P346 VanDerWaalsContact C-N 3.33Å; P344-P346 VanDerWaalsContact O-N 3.15Å; P344-S347 WeakPolarHBondContact O-CA 3.37Å; P344-S347 WeakPolarHBondContact O-CB 3.4Å; P344-S347 PolarHBondContact O-N 2.88Å; P344-Q348 PolarHBondContact O-N 3.36Å
345L87.9Confident93.3Very high73 Ų7337.6 Ų37.638%0.38218%0.184SC..Hα-helixtrans-48.3-44.2-178.6-66.9174.1000114.2F238 S347 Q348 H349F238-L345 HydrophobicContact CD2-CB 3.97Å; F238-L345 HydrophobicContact CE2-CB 4.36Å; F238-L345 HydrophobicContact CE2-CD1 4.08Å; L345-S347 VanDerWaalsContact C-N 3.31Å; L345-S347 PolarHBondContact O-N 3.05Å; L345-Q348 PolarHBondContact O-N 3.2Å; L345-H349 PolarHBondContact O-CD2 3.36Å; L345-H349 PolarHBondContact O-N 3.44Å
346P87.4Confident93.5Very high21 Ų2132.5 Ų32.514%0.13617%0.166CC..Hα-helixtrans-56.6-41.7173.6-30.439.6000114.6L228 I232 P344 T350L228-P346 HydrophobicContact CD2-CB 4.16Å; L228-P346 HydrophobicContact CG-CB 4.36Å; I232-P346 HydrophobicContact CD1-CB 3.78Å; I232-P346 HydrophobicContact CG1-CB 3.78Å; I232-P346 HydrophobicContact CG1-CG 4.14Å; I232-P346 HydrophobicContact CG2-CG 4.44Å; P344-P346 VanDerWaalsContact C-CD 3.48Å; P344-P346 VanDerWaalsContact C-N 3.33Å; P344-P346 VanDerWaalsContact O-N 3.15Å; P346-T350 WeakPolarHBondContact O-CB 3.39Å; P346-T350 PolarHBondContact O-N 3.48Å; P346-T350 VanDerWaalsContact O-N 3.08Å; P346-T350 PolarHBondContact O-OG1 3.34Å
347S90.7Very high93.6Very high10 Ų1032.5 Ų32.57%0.0717%0.166CC..Hα-helixtrans-68.7-43.5177.3-67.60000110.4L310 P344 L345 L351L310-S347 WeakPolarHBondContact O-CB 3.38Å; L310-S347 PolarHBondContact O-OG 3.16Å; P344-S347 WeakPolarHBondContact O-CA 3.37Å; P344-S347 WeakPolarHBondContact O-CB 3.4Å; P344-S347 PolarHBondContact O-N 2.88Å; L345-S347 VanDerWaalsContact C-N 3.31Å; L345-S347 PolarHBondContact O-N 3.05Å; S347-L351 WeakPolarHBondContact O-CB 3.36Å; S347-L351 PolarHBondContact O-N 3.44Å
348Q93.8Very high93.9Very high19 Ų1931.3 Ų31.39%0.08916%0.16CC..Hα-helixtrans-56.1-55.4176-67.2-172.129.800112.1I340 V341 L343 P344 L345 T350 L351 A352 Y422I340-Q348 VanDerWaalsContact O-CD 3.3Å; I340-Q348 VanDerWaalsContact O-CG 3.24Å; I340-Q348 WeakPolarHBondContact O-CG 3.19Å; I340-Q348 PolarHBondContact O-NE2 3Å; V341-Q348 PolarHBondContact O-NE2 3.01Å; L343-Q348 HydrophobicContact CB-CG 3.67Å; L343-Q348 PolarHBondContact O-NE2 3.27Å; P344-Q348 PolarHBondContact O-N 3.36Å; L345-Q348 PolarHBondContact O-N 3.2Å; Q348-T350 PolarHBondContact O-N 3.36Å; Q348-L351 PolarHBondContact O-N 2.99Å; Q348-A352 WeakPolarHBondContact O-CB 3.42Å; Q348-A352 PolarHBondContact O-N 3.45Å; Q348-Y422 HydrophobicContact CB-CD1 4.18Å; Q348-Y422 VanDerWaalsContact OE1-CE1 3.24Å
349H94.4Very high94.3Very high12 Ų1225.4 Ų25.46%0.05614%0.135CC..Hα-helixtrans-66.4-42.6-174.6-66-145.8000110.7E236 F238 I239 L345 F353 Y422E236-H349 IonicContact OE1-CE1 3.97Å; F238-H349 HydrophobicContact CB-CB 4.38Å; F238-H349 AromaticContact CD2-CE1 3.58Å; F238-H349 AromaticContact CD2-ND1 3.85Å; F238-H349 PolarHBondContact N-ND1 3.31Å; I239-H349 HydrophobicContact CG1-CB 3.87Å; L345-H349 PolarHBondContact O-CD2 3.36Å; L345-H349 PolarHBondContact O-N 3.44Å; H349-F353 WeakPolarHBondContact O-CB 3.45Å; H349-F353 PolarHBondContact O-N 3.18Å; H349-Y422 PolarHBondContact CD2-O 3.28Å; H349-Y422 PolarHBondContact ND1-O 3.03Å
350T96.2Very high94.4Very high0 Ų026.3 Ų26.30%014%0.138CC..Hα-helixtrans-68.6-40.1179.7-56.70000111.7L228 F238 P240 F303 L310 P346 Q348 L354L228-T350 HydrophobicContact CD1-CG2 4.41Å; F238-T350 PolarHBondContact O-OG1 3.47Å; P240-T350 VanDerWaalsContact CD-OG1 3.3Å; P240-T350 WeakPolarHBondContact CD-OG1 3.44Å; F303-T350 HydrophobicContact CE1-CG2 3.7Å; F303-T350 HydrophobicContact CZ-CG2 3.88Å; L310-T350 HydrophobicContact CD1-CG2 3.91Å; L310-T350 HydrophobicContact CD2-CG2 4.46Å; P346-T350 WeakPolarHBondContact O-CB 3.39Å; P346-T350 PolarHBondContact O-N 3.48Å; P346-T350 VanDerWaalsContact O-N 3.08Å; P346-T350 PolarHBondContact O-OG1 3.34Å; Q348-T350 PolarHBondContact O-N 3.36Å; T350-L354 WeakPolarHBondContact O-CB 3.34Å; T350-L354 PolarHBondContact O-N 3.35Å
351L97.8Very high94.6Very high2 Ų226.1 Ų26.11%0.0114%0.137CC..Hα-helixtrans-63.7-49.2175.6-179.863.5000110.9L310 I311 L343 S347 Q348 F353 L354 L355 V383L310-L351 HydrophobicContact CD2-CB 4.1Å; L310-L351 HydrophobicContact CD2-CD1 3.89Å; L310-L351 HydrophobicContact CG-CB 4.25Å; L310-L351 HydrophobicContact CG-CD1 4.36Å; I311-L351 HydrophobicContact CG1-CD2 4.31Å; L343-L351 HydrophobicContact CD1-CD2 3.89Å; S347-L351 WeakPolarHBondContact O-CB 3.36Å; S347-L351 PolarHBondContact O-N 3.44Å; Q348-L351 PolarHBondContact O-N 2.99Å; L351-F353 VanDerWaalsContact C-N 3.33Å; L351-F353 PolarHBondContact O-N 2.62Å; L351-L354 PolarHBondContact O-N 3.05Å; L351-L355 HydrophobicContact CD1-CD1 4.06Å; L351-L355 HydrophobicContact CD1-CD2 4.46Å; L351-L355 HydrophobicContact CD1-CG 4.05Å; L351-L355 HydrophobicContact CG-CD1 3.86Å; L351-L355 HydrophobicContact CG-CG 4.27Å; L351-L355 WeakPolarHBondContact O-CB 3.17Å; L351-L355 VanDerWaalsContact O-CG 3.25Å; L351-L355 WeakPolarHBondContact O-CG 3.44Å; L351-L355 PolarHBondContact O-N 3Å; L351-V383 HydrophobicContact CD1-CG1 3.82Å
352A96.9Very high94.9Very high3 Ų323.6 Ų23.63%0.02512%0.123CC..Hα-helixtrans-57.3-47.2177.600000111.6Q348 L354 L355 I356 L419 Y422 I423Q348-A352 WeakPolarHBondContact O-CB 3.42Å; Q348-A352 PolarHBondContact O-N 3.45Å; A352-L354 PolarHBondContact O-N 2.96Å; A352-L355 PolarHBondContact O-N 3.46Å; A352-I356 VanDerWaalsContact O-CD1 3.25Å; A352-I356 WeakPolarHBondContact O-CD1 3.47Å; A352-I356 WeakPolarHBondContact O-CG1 3.3Å; A352-I356 PolarHBondContact O-N 2.83Å; A352-L419 HydrophobicContact CB-CB 4.43Å; A352-L419 HydrophobicContact CB-CD2 4.46Å; A352-Y422 HydrophobicContact CB-CD2 4.1Å; A352-Y422 HydrophobicContact CB-CG 4.24Å; A352-I423 HydrophobicContact CB-CD1 4.32Å; A352-I423 HydrophobicContact CB-CG1 4.2Å
353F97.8Very high95.3Very high31 Ų3122.2 Ų22.214%0.13612%0.116CC..Hα-helixtrans-60.6-43.8178.1-177.7-101.5000112.6I239 V243 I244 V247 H349 L351 H357 I423I239-F353 HydrophobicContact CD1-CB 3.61Å; I239-F353 HydrophobicContact CD1-CD2 4Å; I239-F353 HydrophobicContact CD1-CG 3.82Å; I239-F353 HydrophobicContact CG1-CB 4.37Å; I239-F353 HydrophobicContact CG2-CD1 4.04Å; I239-F353 HydrophobicContact CG2-CG 4.33Å; V243-F353 HydrophobicContact CG1-CD1 3.83Å; V243-F353 HydrophobicContact CG1-CE1 3.91Å; I244-F353 HydrophobicContact CB-CZ 4.36Å; I244-F353 HydrophobicContact CG1-CE1 4.22Å; I244-F353 HydrophobicContact CG1-CZ 4.13Å; I244-F353 HydrophobicContact CG2-CZ 4.45Å; V247-F353 HydrophobicContact CB-CE1 3.62Å; V247-F353 HydrophobicContact CB-CZ 3.86Å; V247-F353 HydrophobicContact CG1-CE1 3.69Å; V247-F353 HydrophobicContact CG1-CZ 3.58Å; V247-F353 HydrophobicContact CG2-CD1 4.44Å; V247-F353 HydrophobicContact CG2-CE1 3.7Å; V247-F353 HydrophobicContact CG2-CZ 4.43Å; H349-F353 WeakPolarHBondContact O-CB 3.45Å; H349-F353 PolarHBondContact O-N 3.18Å; L351-F353 VanDerWaalsContact C-N 3.33Å; L351-F353 PolarHBondContact O-N 2.62Å; F353-H357 PolarHBondContact O-N 3.32Å; F353-H357 VanDerWaalsContact O-N 3.14Å; F353-I423 VanDerWaalsContact CA-CD1 3.47Å; F353-I423 HydrophobicContact CB-CD1 3.79Å; F353-I423 HydrophobicContact CD2-CD1 4.08Å; F353-I423 HydrophobicContact CG-CD1 4.45Å
354L98.4Very high95.7Very high0 Ų026.9 Ų26.90%013%0.133CC..Hα-helixtrans-63.2-46.5175.5179.463000111.6L299 F303 L310 T350 L351 A352 I356 H357 L358 F379 V383L299-L354 HydrophobicContact CD2-CD1 4.38Å; F303-L354 HydrophobicContact CD2-CD2 4.5Å; F303-L354 HydrophobicContact CE2-CD1 4.26Å; F303-L354 HydrophobicContact CE2-CD2 3.99Å; F303-L354 HydrophobicContact CZ-CD2 4.16Å; L310-L354 HydrophobicContact CD2-CD2 3.92Å; T350-L354 WeakPolarHBondContact O-CB 3.34Å; T350-L354 PolarHBondContact O-N 3.35Å; L351-L354 PolarHBondContact O-N 3.05Å; A352-L354 PolarHBondContact O-N 2.96Å; L354-I356 PolarHBondContact O-N 3.5Å; L354-H357 WeakPolarHBondContact O-CB 3.46Å; L354-H357 PolarHBondContact O-N 3.47Å; L354-L358 HydrophobicContact CD1-CD1 4.26Å; L354-L358 HydrophobicContact CD1-CG 4.24Å; L354-L358 HydrophobicContact CG-CD1 4.09Å; L354-L358 HydrophobicContact CG-CG 4.43Å; L354-L358 VanDerWaalsContact O-CG 3.3Å; L354-L358 WeakPolarHBondContact O-CG 3.25Å; L354-L358 PolarHBondContact O-N 3.23Å; L354-F379 HydrophobicContact CD1-CE1 4.1Å; L354-F379 HydrophobicContact CD2-CD1 4.34Å; L354-F379 HydrophobicContact CD2-CE1 4.36Å; L354-V383 HydrophobicContact CD2-CG2 3.8Å
355L98.5Very high96.3Very high1 Ų125.2 Ų25.21%0.00512%0.123CC..Hα-helixtrans-62.3-43.2-179.1-70.1174.1000111.8L351 A352 H357 L358 Q359 M408 L411 L412 L419L351-L355 HydrophobicContact CD1-CD1 4.06Å; L351-L355 HydrophobicContact CD1-CD2 4.46Å; L351-L355 HydrophobicContact CD1-CG 4.05Å; L351-L355 HydrophobicContact CG-CD1 3.86Å; L351-L355 HydrophobicContact CG-CG 4.27Å; L351-L355 WeakPolarHBondContact O-CB 3.17Å; L351-L355 VanDerWaalsContact O-CG 3.25Å; L351-L355 WeakPolarHBondContact O-CG 3.44Å; L351-L355 PolarHBondContact O-N 3Å; A352-L355 PolarHBondContact O-N 3.46Å; L355-H357 VanDerWaalsContact C-N 3.31Å; L355-H357 PolarHBondContact O-N 3.33Å; L355-L358 PolarHBondContact O-N 3.42Å; L355-Q359 WeakPolarHBondContact O-CG 3.12Å; L355-Q359 PolarHBondContact O-N 3.42Å; L355-M408 HydrophobicContact CD2-CE 3.88Å; L355-L411 HydrophobicContact CD1-CB 3.92Å; L355-L411 HydrophobicContact CD1-CD2 4.48Å; L355-L411 HydrophobicContact CD2-CB 3.79Å; L355-L412 HydrophobicContact CD2-CD2 3.77Å; L355-L412 HydrophobicContact CD2-CG 4.14Å; L355-L419 HydrophobicContact CB-CD1 3.77Å; L355-L419 HydrophobicContact CD1-CD1 4.46Å; L355-L419 HydrophobicContact CD1-CD2 3.96Å
356I98.1Very high96.7Very high7 Ų729.7 Ų29.74%0.03614%0.142CC..Hα-helixtrans-61.1-42176.3-73.4153.4000111.3A352 L354 Q359 K360 R416 L419 M420 I423A352-I356 VanDerWaalsContact O-CD1 3.25Å; A352-I356 WeakPolarHBondContact O-CD1 3.47Å; A352-I356 WeakPolarHBondContact O-CG1 3.3Å; A352-I356 PolarHBondContact O-N 2.83Å; L354-I356 PolarHBondContact O-N 3.5Å; I356-Q359 PolarHBondContact O-N 3.38Å; I356-K360 PolarHBondContact O-N 3.07Å; I356-R416 HydrophobicContact CG1-CG 4.37Å; I356-L419 HydrophobicContact CD1-CB 3.49Å; I356-L419 VanDerWaalsContact CD1-CB 3.49Å; I356-L419 HydrophobicContact CG1-CB 3.63Å; I356-L419 HydrophobicContact CG1-CD1 3.92Å; I356-L419 HydrophobicContact CG1-CG 4.44Å; I356-M420 HydrophobicContact CB-CE 4.44Å; I356-M420 HydrophobicContact CD1-CE 3.1Å; I356-M420 HydrophobicContact CG1-CE 3.98Å; I356-M420 HydrophobicContact CG2-CE 3.92Å; I356-I423 HydrophobicContact CD1-CD1 3.38Å; I356-I423 HydrophobicContact CD1-CG1 4.48Å
357H98.3Very high97.2Very high1 Ų132.1 Ų32.11%0.00516%0.156CC..Hα-helixtrans-60.4-48.8174.1171.960.7000111.5V247 E251 Y261 F353 L354 L355 Q359 K360 V361V247-H357 HydrophobicContact CG1-CB 3.83Å; V247-H357 HydrophobicContact CG2-CB 4.43Å; E251-H357 VanDerWaalsContact CG-ND1 3.27Å; E251-H357 WeakPolarHBondContact CG-ND1 3.44Å; E251-H357 IonicContact OE1-CE1 3.99Å; E251-H357 IonicContact OE1-CG 3.63Å; E251-H357 IonicContact OE1-ND1 2.64Å; E251-H357 PolarHBondContact OE1-ND1 3.23Å; Y261-H357 AromaticContact CE2-NE2 3.45Å; Y261-H357 WeakPolarHBondContact CE2-NE2 3.26Å; Y261-H357 AromaticContact CZ-NE2 3.47Å; Y261-H357 PolarHBondContact OH-CD2 2.93Å; Y261-H357 PolarHBondContact OH-NE2 3.08Å; F353-H357 PolarHBondContact O-N 3.32Å; F353-H357 VanDerWaalsContact O-N 3.14Å; L354-H357 WeakPolarHBondContact O-CB 3.46Å; L354-H357 PolarHBondContact O-N 3.47Å; L355-H357 VanDerWaalsContact C-N 3.31Å; L355-H357 PolarHBondContact O-N 3.33Å; H357-Q359 VanDerWaalsContact C-N 3.29Å; H357-Q359 PolarHBondContact O-N 2.83Å; H357-K360 WeakPolarHBondContact O-CB 3.26Å; H357-K360 PolarHBondContact O-N 3.47Å; H357-K360 VanDerWaalsContact O-N 3.14Å; H357-V361 WeakPolarHBondContact O-CG2 3.41Å; H357-V361 PolarHBondContact O-N 3.18Å
358L98.6Very high97.6Very high0 Ų031.6 Ų31.60%015%0.153CC..Hα-helixtrans-64.8-32.6-180-65.7179.7000112.7Y261 L354 L355 V361 S362 L375 F379 M408 L412Y261-L358 HydrophobicContact CD2-CD2 4.2Å; Y261-L358 HydrophobicContact CE2-CD2 3.95Å; L354-L358 HydrophobicContact CD1-CD1 4.26Å; L354-L358 HydrophobicContact CD1-CG 4.24Å; L354-L358 HydrophobicContact CG-CD1 4.09Å; L354-L358 HydrophobicContact CG-CG 4.43Å; L354-L358 VanDerWaalsContact O-CG 3.3Å; L354-L358 WeakPolarHBondContact O-CG 3.25Å; L354-L358 PolarHBondContact O-N 3.23Å; L355-L358 PolarHBondContact O-N 3.42Å; L358-V361 WeakPolarHBondContact O-CB 3.37Å; L358-V361 PolarHBondContact O-N 3.26Å; L358-S362 PolarHBondContact O-N 3.14Å; L358-L375 HydrophobicContact CB-CD1 4.36Å; L358-L375 HydrophobicContact CD2-CD2 4.3Å; L358-L375 VanDerWaalsContact O-CD1 3.31Å; L358-L375 WeakPolarHBondContact O-CD1 3.47Å; L358-F379 HydrophobicContact CD1-CB 4.45Å; L358-F379 HydrophobicContact CD1-CD1 4.18Å; L358-F379 HydrophobicContact CD1-CD2 3.78Å; L358-F379 HydrophobicContact CD1-CE1 4.37Å; L358-F379 HydrophobicContact CD1-CE2 3.99Å; L358-F379 HydrophobicContact CD1-CG 3.87Å; L358-F379 HydrophobicContact CD1-CZ 4.27Å; L358-F379 HydrophobicContact CD2-CD2 3.94Å; L358-F379 HydrophobicContact CD2-CE2 3.36Å; L358-F379 HydrophobicContact CD2-CZ 3.68Å; L358-F379 HydrophobicContact CG-CE2 4.33Å; L358-M408 HydrophobicContact CD1-CE 4.38Å; L358-L412 HydrophobicContact CB-CD2 3.51Å; L358-L412 HydrophobicContact CD1-CD2 4.21Å
359Q98.5Very high97.8Very high16 Ų1636.5 Ų36.58%0.07517%0.174CC..Hα-helixtrans-59.6-48.1170.8-75.9177.8-26.600111.3L355 I356 H357 V361 S362 E363 L412 L414L355-Q359 WeakPolarHBondContact O-CG 3.12Å; L355-Q359 PolarHBondContact O-N 3.42Å; I356-Q359 PolarHBondContact O-N 3.38Å; H357-Q359 VanDerWaalsContact C-N 3.29Å; H357-Q359 PolarHBondContact O-N 2.83Å; Q359-V361 VanDerWaalsContact C-N 3.28Å; Q359-V361 PolarHBondContact O-N 3.06Å; Q359-S362 PolarHBondContact O-N 3.27Å; Q359-S362 PolarHBondContact O-OG 2.82Å; Q359-E363 WeakPolarHBondContact O-CG 3.3Å; Q359-E363 PolarHBondContact O-N 2.91Å; Q359-L412 HydrophobicContact CG-CD2 4.41Å; Q359-L412 PolarHBondContact NE2-O 3.37Å; Q359-L414 PolarHBondContact NE2-O 3.36Å
360K98.3Very high98Very high65 Ų6535.9 Ų35.928%0.28317%0.171SC..Hα-helixtrans-60.6-36.5175.5-66169.3-179.7171.40112.8E251 I356 H357 E363E251-K360 VanDerWaalsContact OE1-CD 3.28Å; E251-K360 WeakPolarHBondContact OE1-CD 3.44Å; E251-K360 IonicContact OE1-NZ 3.21Å; E251-K360 PolarHBondContact OE1-NZ 3.39Å; E251-K360 VanDerWaalsContact OE1-NZ 3.08Å; E251-K360 IonicContact OE2-NZ 2.84Å; E251-K360 PolarHBondContact OE2-NZ 2.88Å; I356-K360 PolarHBondContact O-N 3.07Å; H357-K360 WeakPolarHBondContact O-CB 3.26Å; H357-K360 PolarHBondContact O-N 3.47Å; H357-K360 VanDerWaalsContact O-N 3.14Å; K360-E363 PolarHBondContact O-N 3.09Å
361V98.5Very high98.1Very high0 Ų038.8 Ų38.80%019%0.189CC..Hα-helixtrans-62.7-45.2173.5176.30000110.4L255 L260 Y261 H357 L358 Q359 E363 R364 N368 M370 L375L255-V361 HydrophobicContact CD2-CG2 3.85Å; L260-V361 HydrophobicContact CB-CG1 4.48Å; L260-V361 HydrophobicContact CD2-CB 4.45Å; L260-V361 HydrophobicContact CD2-CG1 3.82Å; L260-V361 HydrophobicContact CD2-CG2 3.74Å; Y261-V361 HydrophobicContact CE2-CG2 4.21Å; H357-V361 WeakPolarHBondContact O-CG2 3.41Å; H357-V361 PolarHBondContact O-N 3.18Å; L358-V361 WeakPolarHBondContact O-CB 3.37Å; L358-V361 PolarHBondContact O-N 3.26Å; Q359-V361 VanDerWaalsContact C-N 3.28Å; Q359-V361 PolarHBondContact O-N 3.06Å; V361-E363 VanDerWaalsContact C-N 3.31Å; V361-E363 PolarHBondContact O-N 3.44Å; V361-R364 PolarHBondContact O-N 3.31Å; V361-R364 VanDerWaalsContact O-N 3.11Å; V361-N368 PolarHBondContact O-ND2 3.4Å; V361-M370 HydrophobicContact CG1-CB 4.21Å; V361-L375 HydrophobicContact CB-CD1 4.12Å; V361-L375 HydrophobicContact CG1-CD1 4.02Å; V361-L375 HydrophobicContact CG1-CD2 4.06Å
362S98.2Very high98.1Very high16 Ų1641.5 Ų41.511%0.11220%0.203CC..Hα-helixtrans-67.2-29.5179.874.70000113.8L358 Q359 R364 S365 M370L358-S362 PolarHBondContact O-N 3.14Å; Q359-S362 PolarHBondContact O-N 3.27Å; Q359-S362 PolarHBondContact O-OG 2.82Å; S362-R364 PolarHBondContact O-N 3.21Å; S362-S365 WeakPolarHBondContact O-CB 3.25Å; S362-S365 PolarHBondContact O-N 3Å; S362-S365 VanDerWaalsContact O-N 3.08Å; S362-S365 PolarHBondContact O-OG 3.05Å; S362-M370 WeakPolarHBondContact CA-O 3.38Å
363E97.9Very high98.1Very high115 Ų11543.5 Ų43.554%0.53722%0.216SC..Hα-helixtrans-63.9-24.4173.3-73.4172.7165.600112.3Q359 K360 V361 R416Q359-E363 WeakPolarHBondContact O-CG 3.3Å; Q359-E363 PolarHBondContact O-N 2.91Å; K360-E363 PolarHBondContact O-N 3.09Å; V361-E363 VanDerWaalsContact C-N 3.31Å; V361-E363 PolarHBondContact O-N 3.44Å; E363-R416 IonicContact OE1-CZ 2.65Å; E363-R416 VanDerWaalsContact OE1-CZ 3.29Å; E363-R416 IonicContact OE1-NH1 2.79Å; E363-R416 PolarHBondContact OE1-NH1 3.05Å; E363-R416 IonicContact OE1-NH2 2.88Å; E363-R416 PolarHBondContact OE1-NH2 2.96Å; E363-R416 IonicContact OE2-CZ 3.19Å; E363-R416 IonicContact OE2-NH1 3.36Å; E363-R416 IonicContact OE2-NH2 3.08Å; E363-R416 PolarHBondContact OE2-NH2 3.44Å
364R97.9Very high98.1Very high103 Ų10344 Ų4439%0.38922%0.221SC..THydrogen-bonded Turntrans-9819.2175.9-58.7-62.4-67.2-98.7-0.4112.9L255 D256 V361 S362 E366 T367 N368L255-R364 HydrophobicContact CB-CG 4.28Å; D256-R364 IonicContact OD1-CZ 2.99Å; D256-R364 IonicContact OD1-NE 2.73Å; D256-R364 PolarHBondContact OD1-NE 2.83Å; D256-R364 IonicContact OD1-NH2 2.71Å; D256-R364 PolarHBondContact OD1-NH2 3.23Å; D256-R364 IonicContact OD2-CZ 3.49Å; D256-R364 IonicContact OD2-NH2 3.67Å; D256-R364 PolarHBondContact OD2-NH2 3.19Å; V361-R364 PolarHBondContact O-N 3.31Å; V361-R364 VanDerWaalsContact O-N 3.11Å; S362-R364 PolarHBondContact O-N 3.21Å; R364-E366 PolarHBondContact O-N 3.47Å; R364-T367 PolarHBondContact O-N 3.32Å; R364-N368 WeakPolarHBondContact CB-ND2 3.42Å; R364-N368 PolarHBondContact O-N 3.28Å; R364-N368 PolarHBondContact O-ND2 3.47Å; R364-N368 PolarHBondContact O-OD1 3.18Å
365S97.7Very high98.1Very high34 Ų3444 Ų4424%0.23822%0.221CC..Hα-helixtrans-62.6-22.8-176.555.80000114.3S362 T367 N368 K369S362-S365 WeakPolarHBondContact O-CB 3.25Å; S362-S365 PolarHBondContact O-N 3Å; S362-S365 VanDerWaalsContact O-N 3.08Å; S362-S365 PolarHBondContact O-OG 3.05Å; S365-T367 VanDerWaalsContact C-N 3.28Å; S365-T367 PolarHBondContact O-N 3.03Å; S365-N368 WeakPolarHBondContact CA-OD1 3.44Å; S365-K369 WeakPolarHBondContact O-CA 3.38Å; S365-K369 PolarHBondContact O-N 3.03Å
366E97.8Very high98.1Very high167 Ų16744 Ų4478%0.7822%0.22SC*.Hα-helixtrans-61.1-38.1171.7-66.2-177.5-179.200112.1R364 K369R364-E366 PolarHBondContact O-N 3.47Å; E366-K369 VanDerWaalsContact O-CE 3.32Å; E366-K369 WeakPolarHBondContact O-CE 3.42Å; E366-K369 PolarHBondContact O-NZ 3.33Å
367T97.9Very high98.1Very high72 Ų7249.3 Ų49.344%0.44224%0.24SC..Hα-helixtrans-91.4-54.4179.6-48.70000111.1D256 R364 S365 K369D256-T367 HydrophobicContact CB-CG2 3.78Å; D256-T367 WeakPolarHBondContact OD1-CB 3.4Å; D256-T367 WeakPolarHBondContact OD1-CG2 3.37Å; R364-T367 PolarHBondContact O-N 3.32Å; S365-T367 VanDerWaalsContact C-N 3.28Å; S365-T367 PolarHBondContact O-N 3.03Å; T367-K369 PolarHBondContact O-N 3.01Å
368N97.9Very high98Very high0 Ų050.9 Ų50.90%025%0.25CC..Hα-helixtrans-82.6-10.2-173.470.335.7000114.1L255 Y257 G259 V361 R364 S365 M370L255-N368 VanDerWaalsContact O-CB 3.32Å; L255-N368 WeakPolarHBondContact O-CB 3.41Å; L255-N368 PolarHBondContact O-ND2 3.21Å; Y257-N368 WeakPolarHBondContact O-CB 3.49Å; G259-N368 PolarHBondContact N-O 3.48Å; V361-N368 PolarHBondContact O-ND2 3.4Å; R364-N368 WeakPolarHBondContact CB-ND2 3.42Å; R364-N368 PolarHBondContact O-N 3.28Å; R364-N368 PolarHBondContact O-ND2 3.47Å; R364-N368 PolarHBondContact O-OD1 3.18Å; S365-N368 WeakPolarHBondContact CA-OD1 3.44Å; N368-M370 PolarHBondContact O-N 3.02Å; N368-M370 WeakPolarHBondContact OD1-CA 3.42Å; N368-M370 VanDerWaalsContact OD1-CB 3.31Å; N368-M370 WeakPolarHBondContact OD1-CB 3.26Å; N368-M370 PolarHBondContact OD1-N 3.44Å
369K98Very high98Very high121 Ų12150.9 Ų50.953%0.52625%0.25SC..  trans63.917.7179.4-46.2-54.9-176.5-176.10115.4S365 E366 T367 N374S365-K369 WeakPolarHBondContact O-CA 3.38Å; S365-K369 PolarHBondContact O-N 3.03Å; E366-K369 VanDerWaalsContact O-CE 3.32Å; E366-K369 WeakPolarHBondContact O-CE 3.42Å; E366-K369 PolarHBondContact O-NZ 3.33Å; T367-K369 PolarHBondContact O-N 3.01Å; K369-N374 PolarHBondContact O-ND2 2.85Å; K369-N374 VanDerWaalsContact O-ND2 3.15Å
370M98.4Very high97.9Very high0 Ų050.1 Ų50.10%025%0.246CC..  trans-106.386.5-179.2-64.9-58.2-6100111.3L260 R262 V361 S362 N368 N374 L375 V378L260-M370 WeakPolarHBondContact O-CE 3.39Å; L260-M370 WeakPolarHBondContact O-CG 3.48Å; R262-M370 HydrophobicContact CB-CE 3.89Å; R262-M370 HydrophobicContact CB-SD 3.76Å; V361-M370 HydrophobicContact CG1-CB 4.21Å; S362-M370 WeakPolarHBondContact CA-O 3.38Å; N368-M370 PolarHBondContact O-N 3.02Å; N368-M370 WeakPolarHBondContact OD1-CA 3.42Å; N368-M370 VanDerWaalsContact OD1-CB 3.31Å; N368-M370 WeakPolarHBondContact OD1-CB 3.26Å; N368-M370 PolarHBondContact OD1-N 3.44Å; M370-N374 HydrophobicContact CE-CB 3.74Å; M370-N374 HydrophobicContact SD-CB 4.2Å; M370-L375 HydrophobicContact CB-CD2 4.07Å; M370-L375 HydrophobicContact CB-CG 4.21Å; M370-L375 HydrophobicContact CE-CD2 3.78Å; M370-L375 HydrophobicContact CE-CG 4.28Å; M370-V378 HydrophobicContact CE-CG2 4.41Å
371T98.1Very high97.6Very high60 Ų6049.6 Ų49.637%0.36825%0.249SC..  trans-69.6169172.463.90000111.9S373 N374 L375T371-S373 VanDerWaalsContact C-N 3.29Å; T371-S373 PolarHBondContact O-N 3.38Å; T371-N374 PolarHBondContact O-N 3.39Å; T371-N374 VanDerWaalsContact O-N 3.09Å; T371-N374 PolarHBondContact OG1-N 3.29Å; T371-L375 WeakPolarHBondContact O-CG 3.42Å; T371-L375 PolarHBondContact O-N 2.77Å
372I98.1Very high97.4Very high60 Ų6049.8 Ų49.831%0.30825%0.25SS..Hα-helixtrans-52.5-46.3174.4-68.1177.3000111.4N374 L375 A376 T409 L412I372-N374 PolarHBondContact O-N 3.28Å; I372-L375 PolarHBondContact O-N 3.08Å; I372-A376 VanDerWaalsContact O-CB 3.23Å; I372-A376 WeakPolarHBondContact O-CB 3.27Å; I372-A376 PolarHBondContact O-N 3.3Å; I372-T409 HydrophobicContact CG2-CG2 4.16Å; I372-L412 HydrophobicContact CG2-CB 3.78Å; I372-L412 HydrophobicContact CG2-CD1 3.98Å
373S97.4Very high97.4Very high44 Ų4449 Ų4931%0.30825%0.245SC..Hα-helixtrans-62.4-41.6177.81680000112.1T371 L375 A376 R377 E405T371-S373 VanDerWaalsContact C-N 3.29Å; T371-S373 PolarHBondContact O-N 3.38Å; S373-L375 PolarHBondContact O-N 2.59Å; S373-A376 PolarHBondContact O-N 2.83Å; S373-R377 PolarHBondContact O-N 2.97Å; S373-R377 PolarHBondContact OG-NH2 3.21Å; S373-E405 PolarHBondContact OG-OE1 2.83Å
374N97.9Very high97.3Very high42 Ų4243.5 Ų43.523%0.22522%0.22CC..Hα-helixtrans-64.8-40.6177.7-73.9-15000112.1K369 M370 T371 I372 R377 V378K369-N374 PolarHBondContact O-ND2 2.85Å; K369-N374 VanDerWaalsContact O-ND2 3.15Å; M370-N374 HydrophobicContact CE-CB 3.74Å; M370-N374 HydrophobicContact SD-CB 4.2Å; T371-N374 PolarHBondContact O-N 3.39Å; T371-N374 VanDerWaalsContact O-N 3.09Å; T371-N374 PolarHBondContact OG1-N 3.29Å; I372-N374 PolarHBondContact O-N 3.28Å; N374-R377 PolarHBondContact OD1-NH1 3.26Å; N374-R377 VanDerWaalsContact OD1-NH1 3.13Å; N374-V378 WeakPolarHBondContact O-CG2 3.32Å; N374-V378 PolarHBondContact O-N 3.46Å
375L98.6Very high96.8Very high0 Ų039 Ų390%021%0.205CC..Hα-helixtrans-68.1-41.5175.1-67.6171.7000111.5Y261 L358 V361 M370 T371 I372 S373 R377 V378 F379 L412Y261-L375 HydrophobicContact CD2-CD2 4.28Å; L358-L375 HydrophobicContact CB-CD1 4.36Å; L358-L375 HydrophobicContact CD2-CD2 4.3Å; L358-L375 VanDerWaalsContact O-CD1 3.31Å; L358-L375 WeakPolarHBondContact O-CD1 3.47Å; V361-L375 HydrophobicContact CB-CD1 4.12Å; V361-L375 HydrophobicContact CG1-CD1 4.02Å; V361-L375 HydrophobicContact CG1-CD2 4.06Å; M370-L375 HydrophobicContact CB-CD2 4.07Å; M370-L375 HydrophobicContact CB-CG 4.21Å; M370-L375 HydrophobicContact CE-CD2 3.78Å; M370-L375 HydrophobicContact CE-CG 4.28Å; T371-L375 WeakPolarHBondContact O-CG 3.42Å; T371-L375 PolarHBondContact O-N 2.77Å; I372-L375 PolarHBondContact O-N 3.08Å; S373-L375 PolarHBondContact O-N 2.59Å; L375-R377 VanDerWaalsContact C-N 3.32Å; L375-R377 PolarHBondContact O-N 3.46Å; L375-V378 PolarHBondContact O-N 2.97Å; L375-V378 VanDerWaalsContact O-N 3.16Å; L375-F379 WeakPolarHBondContact O-CB 3.49Å; L375-F379 PolarHBondContact O-N 3.4Å; L375-L412 HydrophobicContact CB-CD1 4.19Å
376A98.3Very high95.9Very high0 Ų040.4 Ų40.40%021%0.212CC..Hα-helixtrans-59.6-41.5178.400000112.2I372 S373 V378 F379 G380 E405 M408 T409 L412I372-A376 VanDerWaalsContact O-CB 3.23Å; I372-A376 WeakPolarHBondContact O-CB 3.27Å; I372-A376 PolarHBondContact O-N 3.3Å; S373-A376 PolarHBondContact O-N 2.83Å; A376-V378 PolarHBondContact O-N 3.26Å; A376-F379 PolarHBondContact O-N 3.42Å; A376-G380 WeakPolarHBondContact O-CA 3.43Å; A376-G380 PolarHBondContact O-N 2.86Å; A376-E405 HydrophobicContact CB-CG 3.92Å; A376-E405 WeakPolarHBondContact CB-O 3.25Å; A376-M408 HydrophobicContact CB-CB 3.6Å; A376-T409 WeakPolarHBondContact CB-OG1 3.19Å; A376-L412 HydrophobicContact CB-CD1 4.5Å
377R97.4Very high94.5Very high120 Ų12036 Ų3645%0.45319%0.19SC..Hα-helixtrans-63.9-38.3175.4-166.8174.1-55.8103.910.7113.3S373 N374 L375 E405S373-R377 PolarHBondContact O-N 2.97Å; S373-R377 PolarHBondContact OG-NH2 3.21Å; N374-R377 PolarHBondContact OD1-NH1 3.26Å; N374-R377 VanDerWaalsContact OD1-NH1 3.13Å; L375-R377 VanDerWaalsContact C-N 3.32Å; L375-R377 PolarHBondContact O-N 3.46Å; R377-E405 HydrophobicContact CB-CG 4.49Å; R377-E405 IonicContact CZ-OE1 2.72Å; R377-E405 IonicContact CZ-OE2 3.66Å; R377-E405 IonicContact NE-OE1 3.7Å; R377-E405 IonicContact NE-OE2 3.31Å; R377-E405 PolarHBondContact NE-OE2 2.95Å; R377-E405 VanDerWaalsContact NH2-CD 3.34Å; R377-E405 IonicContact NH2-OE1 3.77Å; R377-E405 PolarHBondContact NH2-OE1 2.99Å; R377-E405 IonicContact NH2-OE2 3.47Å; R377-E405 PolarHBondContact NH2-OE2 3.21Å
378V96.7Very high92.5Very high33 Ų3338.5 Ų38.520%0.221%0.211CC..Hα-helixtrans-73.7-42.3179173.20000111.5R262 K300 M370 N374 L375 A376R262-V378 HydrophobicContact CB-CG2 4.49Å; K300-V378 HydrophobicContact CD-CG1 3.87Å; M370-V378 HydrophobicContact CE-CG2 4.41Å; N374-V378 WeakPolarHBondContact O-CG2 3.32Å; N374-V378 PolarHBondContact O-N 3.46Å; L375-V378 PolarHBondContact O-N 2.97Å; L375-V378 VanDerWaalsContact O-N 3.16Å; A376-V378 PolarHBondContact O-N 3.26Å
379F98.1Very high90.4Very high0 Ų045 Ų450%024%0.242CC..Hα-helixtrans-90.1-18.7-173.6-82.4-86.1000114.3Y261 K300 L354 L358 L375 A376 T382 V383 M408Y261-F379 AromaticContact CD1-CE2 3.76Å; Y261-F379 HydrophobicContact CD1-CE2 3.76Å; Y261-F379 AromaticContact CD1-CZ 3.46Å; Y261-F379 HydrophobicContact CD1-CZ 3.46Å; Y261-F379 VanDerWaalsContact CD1-CZ 3.46Å; Y261-F379 AromaticContact CD2-CE2 3.99Å; Y261-F379 HydrophobicContact CD2-CE2 3.99Å; Y261-F379 HydrophobicContact CD2-CZ 4.29Å; Y261-F379 HydrophobicContact CE1-CE2 4.28Å; Y261-F379 AromaticContact CE1-CZ 3.64Å; Y261-F379 HydrophobicContact CE1-CZ 3.64Å; Y261-F379 HydrophobicContact CE2-CE2 4.48Å; Y261-F379 HydrophobicContact CE2-CZ 4.42Å; Y261-F379 AromaticContact CG-CE2 3.61Å; Y261-F379 HydrophobicContact CG-CE2 3.61Å; Y261-F379 AromaticContact CG-CZ 3.81Å; Y261-F379 HydrophobicContact CG-CZ 3.81Å; K300-F379 HydrophobicContact CG-CE1 4.24Å; K300-F379 HydrophobicContact CG-CZ 4.2Å; L354-F379 HydrophobicContact CD1-CE1 4.1Å; L354-F379 HydrophobicContact CD2-CD1 4.34Å; L354-F379 HydrophobicContact CD2-CE1 4.36Å; L358-F379 HydrophobicContact CD1-CB 4.45Å; L358-F379 HydrophobicContact CD1-CD1 4.18Å; L358-F379 HydrophobicContact CD1-CD2 3.78Å; L358-F379 HydrophobicContact CD1-CE1 4.37Å; L358-F379 HydrophobicContact CD1-CE2 3.99Å; L358-F379 HydrophobicContact CD1-CG 3.87Å; L358-F379 HydrophobicContact CD1-CZ 4.27Å; L358-F379 HydrophobicContact CD2-CD2 3.94Å; L358-F379 HydrophobicContact CD2-CE2 3.36Å; L358-F379 HydrophobicContact CD2-CZ 3.68Å; L358-F379 HydrophobicContact CG-CE2 4.33Å; L375-F379 WeakPolarHBondContact O-CB 3.49Å; L375-F379 PolarHBondContact O-N 3.4Å; A376-F379 PolarHBondContact O-N 3.42Å; F379-T382 HydrophobicContact CD1-CG2 4.46Å; F379-T382 CarbonylContact O-C 3.57Å; F379-T382 WeakPolarHBondContact O-CA 3.43Å; F379-T382 PolarHBondContact O-N 3.31Å; F379-V383 HydrophobicContact CB-CG2 4.19Å; F379-V383 HydrophobicContact CD1-CG2 4Å; F379-V383 WeakPolarHBondContact O-CB 3.27Å; F379-V383 PolarHBondContact O-N 2.87Å; F379-M408 HydrophobicContact CB-CE 3.91Å
380G97Very high88.5Confident0 Ų044 Ų440%026%0.256CS..Hα-helixtrans-49-60.5178.900000112.9A376 T382 V383 V384A376-G380 WeakPolarHBondContact O-CA 3.43Å; A376-G380 PolarHBondContact O-N 2.86Å; G380-T382 PolarHBondContact O-N 3.06Å; G380-V383 PolarHBondContact O-N 2.71Å; G380-V384 VanDerWaalsContact O-CB 3.26Å; G380-V384 WeakPolarHBondContact O-CB 3.47Å; G380-V384 WeakPolarHBondContact O-CG2 3.43Å; G380-V384 PolarHBondContact O-N 3Å
381P93.1Very high86.5Confident54 Ų5451.7 Ų51.735%0.35130%0.297SS..Hα-helixtrans-63-26.4177.1-23.233.1000113.9G385P381-G385 WeakPolarHBondContact O-CA 3.42Å; P381-G385 PolarHBondContact O-N 3.35Å
382T94.2Very high85Confident4 Ų451.1 Ų51.13%0.02529%0.291CS..Hα-helixtrans-82-37.6-175.5-61.50000112.5F303 Q304 F379 G380F303-T382 HydrophobicContact CB-CG2 3.63Å; Q304-T382 HydrophobicContact CG-CG2 3.88Å; Q304-T382 PolarHBondContact NE2-OG1 3.43Å; F379-T382 HydrophobicContact CD1-CG2 4.46Å; F379-T382 CarbonylContact O-C 3.57Å; F379-T382 WeakPolarHBondContact O-CA 3.43Å; F379-T382 PolarHBondContact O-N 3.31Å; G380-T382 PolarHBondContact O-N 3.06Å
383V97.4Very high84Confident0 Ų050.4 Ų50.40%029%0.292CS..Hα-helixtrans-94.1-40.6-175.2172.30000111.5P309 L310 I311 L351 L354 F379 G380 M408P309-V383 WeakPolarHBondContact CB-O 3.37Å; L310-V383 HydrophobicContact CB-CG1 4.25Å; L310-V383 HydrophobicContact CD2-CG1 4.28Å; L310-V383 PolarHBondContact N-O 3.3Å; I311-V383 HydrophobicContact CD1-CG1 3.92Å; I311-V383 HydrophobicContact CG1-CG1 4.03Å; I311-V383 PolarHBondContact N-O 3.12Å; L351-V383 HydrophobicContact CD1-CG1 3.82Å; L354-V383 HydrophobicContact CD2-CG2 3.8Å; F379-V383 HydrophobicContact CB-CG2 4.19Å; F379-V383 HydrophobicContact CD1-CG2 4Å; F379-V383 WeakPolarHBondContact O-CB 3.27Å; F379-V383 PolarHBondContact O-N 2.87Å; G380-V383 PolarHBondContact O-N 2.71Å; V383-M408 HydrophobicContact CB-SD 3.82Å; V383-M408 HydrophobicContact CG1-SD 3.84Å; V383-M408 HydrophobicContact CG2-CE 4.41Å; V383-M408 HydrophobicContact CG2-SD 4.19Å
384V95.1Very high83.2Confident0 Ų054.4 Ų54.40%031%0.309CS..THydrogen-bonded Turntrans-87.5-27.3-179.5-1720000111.4P309 I311 R316 M320 G380 Q404 V407P309-V384 WeakPolarHBondContact CG-O 3.46Å; I311-V384 HydrophobicContact CD1-CG2 4.23Å; R316-V384 HydrophobicContact CG-CG1 3.81Å; M320-V384 HydrophobicContact CG-CG1 4.46Å; M320-V384 HydrophobicContact SD-CG1 4.1Å; G380-V384 VanDerWaalsContact O-CB 3.26Å; G380-V384 WeakPolarHBondContact O-CB 3.47Å; G380-V384 WeakPolarHBondContact O-CG2 3.43Å; G380-V384 PolarHBondContact O-N 3Å; V384-Q404 HydrophobicContact CB-CG 3.99Å; V384-Q404 HydrophobicContact CG1-CG 4.04Å; V384-Q404 HydrophobicContact CG2-CB 4.43Å; V384-Q404 HydrophobicContact CG2-CG 4.35Å; V384-V407 HydrophobicContact CG2-CB 4.45Å; V384-V407 HydrophobicContact CG2-CG1 4.1Å
385G87.9Confident82.4Confident8 Ų855.6 Ų55.68%0.08232%0.321CS..  trans76.4147.8-174.400000112.9R316 P381 Q404R316-G385 PolarHBondContact NH1-O 3.34Å; R316-G385 VanDerWaalsContact NH1-O 3.17Å; R316-G385 PolarHBondContact NH2-O 2.84Å; P381-G385 WeakPolarHBondContact O-CA 3.42Å; P381-G385 PolarHBondContact O-N 3.35Å; G385-Q404 PolarHBondContact O-NE2 2.94Å
386T79.3Confident81.6Confident64 Ų6459.8 Ų59.839%0.39334%0.343SS..  trans-102.4136174.1-56.50000109.3S388 E400T386-S388 PolarHBondContact O-N 2.98Å; T386-E400 VanDerWaalsContact CA-OE1 3.3Å; T386-E400 WeakPolarHBondContact CA-OE1 3.36Å; T386-E400 WeakPolarHBondContact CG2-OE1 3.31Å
387F67.8Low80.8Confident73 Ų7364.5 Ų64.532%0.3237%0.366SS..  trans-71.1115.3171.4-74.8-58.4000107.7F313 Q389 I392 E400F313-F387 HydrophobicContact CD1-CD1 4.29Å; F313-F387 AromaticContact CD1-CE1 3.66Å; F313-F387 HydrophobicContact CD1-CE1 3.66Å; F313-F387 HydrophobicContact CD1-CZ 4.14Å; F313-F387 HydrophobicContact CE1-CD1 4.29Å; F313-F387 HydrophobicContact CE1-CE1 4.11Å; F313-F387 HydrophobicContact CG-CE1 4.26Å; F387-Q389 PolarHBondContact O-N 3.27Å; F387-I392 HydrophobicContact CB-CD1 4.46Å; F387-I392 WeakPolarHBondContact O-CD1 3.42Å; F387-E400 PolarHBondContact N-OE1 3.24Å
388S56.4Low80.3Confident125 Ų12564 Ų6487%0.87437%0.372SS*.  trans-9180.6169.1-171.60000107.8T386T386-S388 PolarHBondContact O-N 2.98Å
389Q54.2Low79.9Confident138 Ų13866.9 Ų66.965%0.64539%0.386SS*.  trans-89.5141.5160.2-60.9179-5.300107.7F387 N391 I392F387-Q389 PolarHBondContact O-N 3.27Å; Q389-N391 PolarHBondContact O-N 3.39Å; Q389-I392 HydrophobicContact CB-CD1 3.87Å; Q389-I392 HydrophobicContact CB-CG1 3.82Å; Q389-I392 HydrophobicContact CG-CD1 4.44Å
390A57.1Low79.5Confident100 Ų10068.2 Ų68.283%0.82639%0.392SS*.THydrogen-bonded Turntrans-62.6-17.3-170.300000114.4
391N55.6Low79.2Confident160 Ų16070.2 Ų70.286%0.85641%0.409SS*.THydrogen-bonded Turntrans-131.441.9-169.7-62-23.2000113.3Q389Q389-N391 PolarHBondContact O-N 3.39Å
392I67.4Low79.2Confident49 Ų4970.1 Ų70.125%0.25141%0.412SS..  trans-83.3136175.9-60.5172.9000109.8F387 Q389 D396F387-I392 HydrophobicContact CB-CD1 4.46Å; F387-I392 WeakPolarHBondContact O-CD1 3.42Å; Q389-I392 HydrophobicContact CB-CD1 3.87Å; Q389-I392 HydrophobicContact CB-CG1 3.82Å; Q389-I392 HydrophobicContact CG-CD1 4.44Å; I392-D396 HydrophobicContact CG2-CB 3.62Å
393S76.4Confident79.2Confident45 Ų4574.4 Ų74.432%0.31543%0.431SS..  trans-68.3151.5175.778.20000111.6S395 D396 M397S393-S395 PolarHBondContact O-N 2.94Å; S393-S395 PolarHBondContact OG-OG 3Å; S393-D396 PolarHBondContact O-N 3.02Å; S393-D396 VanDerWaalsContact O-N 3.14Å; S393-D396 WeakPolarHBondContact OG-CB 3.49Å; S393-D396 PolarHBondContact OG-N 2.97Å; S393-D396 VanDerWaalsContact OG-N 3.08Å; S393-D396 PolarHBondContact OG-OD2 3.4Å; S393-M397 PolarHBondContact O-N 3.44Å
394L80.5Confident79.1Confident127 Ų12774.5 Ų74.567%0.66543%0.431SS*.Hα-helixtrans-57.3-38.1175.6178.461.4000111.6M397 L398L394-M397 PolarHBondContact O-N 3.22Å; L394-L398 HydrophobicContact CD1-CD1 4.37Å; L394-L398 HydrophobicContact CD1-CG 4.28Å; L394-L398 HydrophobicContact CG-CD1 4.16Å; L394-L398 HydrophobicContact CG-CG 4.48Å; L394-L398 VanDerWaalsContact O-CG 3.3Å; L394-L398 WeakPolarHBondContact O-CG 3.46Å; L394-L398 PolarHBondContact O-N 3.16Å
395S81Confident79.2Confident68 Ų6876.6 Ų76.648%0.47644%0.441SS..Hα-helixtrans-60.4-44.2175.935.90000112.6S393 L398 N399S393-S395 PolarHBondContact O-N 2.94Å; S393-S395 PolarHBondContact OG-OG 3Å; S395-L398 PolarHBondContact O-N 3.4Å; S395-N399 WeakPolarHBondContact O-CB 3.46Å; S395-N399 PolarHBondContact O-N 2.98Å; S395-N399 PolarHBondContact O-ND2 3.04Å
396D82.6Confident79.6Confident88 Ų8881.7 Ų81.747%0.47146%0.461SS..Hα-helixtrans-67.5-40179.2-64.6-37.2000111.2I392 S393 L398 N399 E400I392-D396 HydrophobicContact CG2-CB 3.62Å; S393-D396 PolarHBondContact O-N 3.02Å; S393-D396 VanDerWaalsContact O-N 3.14Å; S393-D396 WeakPolarHBondContact OG-CB 3.49Å; S393-D396 PolarHBondContact OG-N 2.97Å; S393-D396 VanDerWaalsContact OG-N 3.08Å; S393-D396 PolarHBondContact OG-OD2 3.4Å; D396-L398 PolarHBondContact O-N 3.39Å; D396-N399 PolarHBondContact O-N 2.94Å; D396-E400 VanDerWaalsContact O-CB 3.26Å; D396-E400 WeakPolarHBondContact O-CB 3.46Å; D396-E400 PolarHBondContact O-N 3.01Å
397M81.6Confident80.5Confident99 Ų9978.6 Ų78.649%0.48844%0.442SS..Hα-helixtrans-60.9-43.7175.6-173.5-175.3-63.200112S393 L394 E400 A401S393-M397 PolarHBondContact O-N 3.44Å; L394-M397 PolarHBondContact O-N 3.22Å; M397-E400 PolarHBondContact O-N 2.69Å; M397-A401 WeakPolarHBondContact O-CB 3.42Å; M397-A401 PolarHBondContact O-N 3.44Å
398L86.9Confident81.9Confident108 Ų10875.1 Ų75.157%0.56543%0.427SS*.Hα-helixtrans-67-42177-69.3174.8000111.7L394 S395 D396 E400 A401 A402L394-L398 HydrophobicContact CD1-CD1 4.37Å; L394-L398 HydrophobicContact CD1-CG 4.28Å; L394-L398 HydrophobicContact CG-CD1 4.16Å; L394-L398 HydrophobicContact CG-CG 4.48Å; L394-L398 VanDerWaalsContact O-CG 3.3Å; L394-L398 WeakPolarHBondContact O-CG 3.46Å; L394-L398 PolarHBondContact O-N 3.16Å; S395-L398 PolarHBondContact O-N 3.4Å; D396-L398 PolarHBondContact O-N 3.39Å; L398-E400 VanDerWaalsContact C-N 3.34Å; L398-E400 PolarHBondContact O-N 3.45Å; L398-A401 PolarHBondContact O-N 3.28Å; L398-A402 WeakPolarHBondContact O-CB 3.47Å; L398-A402 PolarHBondContact O-N 3.22Å
399N89Confident83.9Confident94 Ų9471.7 Ų71.750%0.50340%0.401SS..Hα-helixtrans-62.7-41.3175.7-74.6-25.5000111.7S395 D396 A402 K403S395-N399 WeakPolarHBondContact O-CB 3.46Å; S395-N399 PolarHBondContact O-N 2.98Å; S395-N399 PolarHBondContact O-ND2 3.04Å; D396-N399 PolarHBondContact O-N 2.94Å; N399-A402 PolarHBondContact O-N 3.33Å; N399-K403 VanDerWaalsContact O-CG 3.3Å; N399-K403 WeakPolarHBondContact O-CG 3.07Å; N399-K403 PolarHBondContact O-N 2.95Å
400E88.7Confident85.9Confident28 Ų2865.4 Ų65.413%0.13137%0.372CS..Hα-helixtrans-62.9-47.5176.1-174.6176.6152.200111.1R316 M320 T386 F387 D396 M397 L398 A402 K403 Q404R316-E400 IonicContact CZ-OE1 3.41Å; R316-E400 IonicContact NH1-OE1 3.35Å; R316-E400 PolarHBondContact NH1-OE1 3.45Å; R316-E400 IonicContact NH2-OE1 2.62Å; R316-E400 PolarHBondContact NH2-OE1 2.84Å; M320-E400 HydrophobicContact CE-CG 4.32Å; T386-E400 VanDerWaalsContact CA-OE1 3.3Å; T386-E400 WeakPolarHBondContact CA-OE1 3.36Å; T386-E400 WeakPolarHBondContact CG2-OE1 3.31Å; F387-E400 PolarHBondContact N-OE1 3.24Å; D396-E400 VanDerWaalsContact O-CB 3.26Å; D396-E400 WeakPolarHBondContact O-CB 3.46Å; D396-E400 PolarHBondContact O-N 3.01Å; M397-E400 PolarHBondContact O-N 2.69Å; L398-E400 VanDerWaalsContact C-N 3.34Å; L398-E400 PolarHBondContact O-N 3.45Å; E400-A402 VanDerWaalsContact C-N 3.33Å; E400-A402 PolarHBondContact O-N 2.95Å; E400-K403 PolarHBondContact O-N 3.49Å; E400-Q404 VanDerWaalsContact O-CG 3.28Å; E400-Q404 WeakPolarHBondContact O-CG 3.29Å; E400-Q404 PolarHBondContact O-N 3.3Å
401A91.2Very high87.9Confident42 Ų4260.7 Ų60.735%0.34733%0.332SS..Hα-helixtrans-60.7-41176.400000112.2M397 L398 Q404 E405M397-A401 WeakPolarHBondContact O-CB 3.42Å; M397-A401 PolarHBondContact O-N 3.44Å; L398-A401 PolarHBondContact O-N 3.28Å; A401-Q404 PolarHBondContact O-N 2.94Å; A401-E405 PolarHBondContact O-N 3.42Å
402A93.4Very high89.9Confident52 Ų5253.2 Ų53.243%0.4329%0.292SS..Hα-helixtrans-64.3-40.4176.400000112.2L398 N399 E400 E405 K406L398-A402 WeakPolarHBondContact O-CB 3.47Å; L398-A402 PolarHBondContact O-N 3.22Å; N399-A402 PolarHBondContact O-N 3.33Å; E400-A402 VanDerWaalsContact C-N 3.33Å; E400-A402 PolarHBondContact O-N 2.95Å; A402-E405 PolarHBondContact O-N 2.9Å; A402-K406 PolarHBondContact O-N 2.99Å; A402-K406 VanDerWaalsContact O-N 3.12Å
403K94.5Very high91.2Very high95 Ų9552.2 Ų52.241%0.41329%0.29SS..Hα-helixtrans-64.9-42.3174-71.3178.6178.11760111.6M320 V324 N399 E400 E405 K406 V407M320-K403 HydrophobicContact CE-CB 3.25Å; M320-K403 HydrophobicContact CE-CD 4.02Å; M320-K403 HydrophobicContact CE-CG 4.28Å; M320-K403 HydrophobicContact SD-CB 3.84Å; V324-K403 HydrophobicContact CG2-CB 4.33Å; V324-K403 HydrophobicContact CG2-CD 4.16Å; V324-K403 HydrophobicContact CG2-CG 3.67Å; N399-K403 VanDerWaalsContact O-CG 3.3Å; N399-K403 WeakPolarHBondContact O-CG 3.07Å; N399-K403 PolarHBondContact O-N 2.95Å; E400-K403 PolarHBondContact O-N 3.49Å; K403-E405 VanDerWaalsContact C-N 3.32Å; K403-E405 PolarHBondContact O-N 2.88Å; K403-K406 WeakPolarHBondContact O-CB 3.13Å; K403-K406 PolarHBondContact O-N 3.34Å; K403-K406 VanDerWaalsContact O-N 3.15Å; K403-V407 WeakPolarHBondContact O-CG2 3.31Å; K403-V407 PolarHBondContact O-N 3.41Å
404Q95.4Very high92.1Very high1 Ų150.1 Ų50.11%0.00528%0.275CS..Hα-helixtrans-61.9-38.6175.2-68.8168.8-12.200112.1M320 V384 G385 E400 A401 K406 V407 M408M320-Q404 HydrophobicContact CE-CG 3.99Å; M320-Q404 HydrophobicContact SD-CG 3.97Å; V384-Q404 HydrophobicContact CB-CG 3.99Å; V384-Q404 HydrophobicContact CG1-CG 4.04Å; V384-Q404 HydrophobicContact CG2-CB 4.43Å; V384-Q404 HydrophobicContact CG2-CG 4.35Å; G385-Q404 PolarHBondContact O-NE2 2.94Å; E400-Q404 VanDerWaalsContact O-CG 3.28Å; E400-Q404 WeakPolarHBondContact O-CG 3.29Å; E400-Q404 PolarHBondContact O-N 3.3Å; A401-Q404 PolarHBondContact O-N 2.94Å; Q404-K406 VanDerWaalsContact C-N 3.34Å; Q404-V407 PolarHBondContact O-N 3.42Å; Q404-M408 PolarHBondContact O-N 3.49Å
405E96.7Very high92.7Very high45 Ų4546 Ų4621%0.2126%0.256CS..Hα-helixtrans-60.8-42.9173.2-176.8177159.500111S373 A376 R377 A401 A402 K403 M408 T409S373-E405 PolarHBondContact OG-OE1 2.83Å; A376-E405 HydrophobicContact CB-CG 3.92Å; A376-E405 WeakPolarHBondContact CB-O 3.25Å; R377-E405 HydrophobicContact CB-CG 4.49Å; R377-E405 IonicContact CZ-OE1 2.72Å; R377-E405 IonicContact CZ-OE2 3.66Å; R377-E405 IonicContact NE-OE1 3.7Å; R377-E405 IonicContact NE-OE2 3.31Å; R377-E405 PolarHBondContact NE-OE2 2.95Å; R377-E405 VanDerWaalsContact NH2-CD 3.34Å; R377-E405 IonicContact NH2-OE1 3.77Å; R377-E405 PolarHBondContact NH2-OE1 2.99Å; R377-E405 IonicContact NH2-OE2 3.47Å; R377-E405 PolarHBondContact NH2-OE2 3.21Å; A401-E405 PolarHBondContact O-N 3.42Å; A402-E405 PolarHBondContact O-N 2.9Å; K403-E405 VanDerWaalsContact C-N 3.32Å; K403-E405 PolarHBondContact O-N 2.88Å; E405-M408 PolarHBondContact O-N 3.3Å; E405-T409 WeakPolarHBondContact O-CB 3.23Å; E405-T409 PolarHBondContact O-N 3.37Å; E405-T409 PolarHBondContact O-OG1 2.88Å
406K96.3Very high93.3Very high114 Ų11447.1 Ų47.150%0.49625%0.25SC..Hα-helixtrans-63.2-43.7175.4-69.8-175.9177.4-172.90112.3A323 A402 K403 Q404 M408 T409 L410A323-K406 HydrophobicContact CB-CB 3.99Å; A402-K406 PolarHBondContact O-N 2.99Å; A402-K406 VanDerWaalsContact O-N 3.12Å; K403-K406 WeakPolarHBondContact O-CB 3.13Å; K403-K406 PolarHBondContact O-N 3.34Å; K403-K406 VanDerWaalsContact O-N 3.15Å; Q404-K406 VanDerWaalsContact C-N 3.34Å; K406-M408 PolarHBondContact O-N 3.44Å; K406-T409 PolarHBondContact O-N 3.02Å; K406-L410 PolarHBondContact O-N 2.87Å
407V97.6Very high93.7Very high0 Ų047.8 Ų47.80%025%0.25CS..Hα-helixtrans-56.9-51.5175.3172.90000110.4I311 F319 M320 A323 V384 K403 Q404 T409 L410 L411I311-V407 HydrophobicContact CD1-CG1 4.47Å; F319-V407 HydrophobicContact CB-CG1 4.16Å; F319-V407 HydrophobicContact CB-CG2 4.46Å; F319-V407 HydrophobicContact CD1-CG1 4.11Å; F319-V407 WeakPolarHBondContact O-CG2 3.4Å; M320-V407 HydrophobicContact CG-CG2 4.25Å; M320-V407 HydrophobicContact SD-CG2 3.69Å; A323-V407 HydrophobicContact CB-CB 4.24Å; A323-V407 HydrophobicContact CB-CG2 3.54Å; V384-V407 HydrophobicContact CG2-CB 4.45Å; V384-V407 HydrophobicContact CG2-CG1 4.1Å; K403-V407 WeakPolarHBondContact O-CG2 3.31Å; K403-V407 PolarHBondContact O-N 3.41Å; Q404-V407 PolarHBondContact O-N 3.42Å; V407-T409 VanDerWaalsContact C-N 3.32Å; V407-T409 PolarHBondContact O-N 2.96Å; V407-L410 PolarHBondContact O-N 3.44Å; V407-L411 HydrophobicContact CG1-CD1 3.89Å; V407-L411 HydrophobicContact CG1-CG 4.38Å; V407-L411 WeakPolarHBondContact O-CG 3.24Å; V407-L411 PolarHBondContact O-N 2.75Å
408M98Very high94.2Very high0 Ų043.3 Ų43.30%023%0.228CC..Hα-helixtrans-65.3-35.4-179.6-74.8-57.5-53.600112.7L355 L358 A376 F379 V383 Q404 E405 K406 L411 L412L355-M408 HydrophobicContact CD2-CE 3.88Å; L358-M408 HydrophobicContact CD1-CE 4.38Å; A376-M408 HydrophobicContact CB-CB 3.6Å; F379-M408 HydrophobicContact CB-CE 3.91Å; V383-M408 HydrophobicContact CB-SD 3.82Å; V383-M408 HydrophobicContact CG1-SD 3.84Å; V383-M408 HydrophobicContact CG2-CE 4.41Å; V383-M408 HydrophobicContact CG2-SD 4.19Å; Q404-M408 PolarHBondContact O-N 3.49Å; E405-M408 PolarHBondContact O-N 3.3Å; K406-M408 PolarHBondContact O-N 3.44Å; M408-L411 PolarHBondContact O-N 3.35Å; M408-L411 HydrophobicContact SD-CD1 4.12Å; M408-L412 HydrophobicContact CE-CG 4.46Å; M408-L412 WeakPolarHBondContact O-CB 3.47Å; M408-L412 VanDerWaalsContact O-CG 3.23Å; M408-L412 WeakPolarHBondContact O-CG 3.32Å; M408-L412 PolarHBondContact O-N 2.94Å
409T97.6Very high94.5Very high53 Ų5338.3 Ų38.333%0.32520%0.202SC..Hα-helixtrans-63.1-44.7174.8-59.40000110.9I372 A376 E405 K406 V407 L412 S413I372-T409 HydrophobicContact CG2-CG2 4.16Å; A376-T409 WeakPolarHBondContact CB-OG1 3.19Å; E405-T409 WeakPolarHBondContact O-CB 3.23Å; E405-T409 PolarHBondContact O-N 3.37Å; E405-T409 PolarHBondContact O-OG1 2.88Å; K406-T409 PolarHBondContact O-N 3.02Å; V407-T409 VanDerWaalsContact C-N 3.32Å; V407-T409 PolarHBondContact O-N 2.96Å; T409-L412 PolarHBondContact O-N 3.32Å; T409-S413 WeakPolarHBondContact O-CB 3.39Å; T409-S413 PolarHBondContact O-N 2.99Å; T409-S413 PolarHBondContact O-OG 3.24Å
410L97.1Very high94.7Very high6 Ų636.8 Ų36.83%0.03119%0.192CC..Hα-helixtrans-60.5-48.3174.8179.160.2000110.8I322 L329 Q332 M333 I336 K406 V407 L412 S413 L414I322-L410 HydrophobicContact CG2-CD2 3.96Å; L329-L410 HydrophobicContact CD1-CD1 3.79Å; Q332-L410 HydrophobicContact CB-CD1 3.86Å; Q332-L410 HydrophobicContact CB-CD2 3.94Å; M333-L410 HydrophobicContact CG-CD1 4.15Å; I336-L410 HydrophobicContact CB-CD2 3.99Å; I336-L410 HydrophobicContact CB-CG 4.49Å; I336-L410 HydrophobicContact CD1-CD2 4.03Å; I336-L410 HydrophobicContact CG1-CD2 4.03Å; I336-L410 HydrophobicContact CG1-CG 4.45Å; I336-L410 HydrophobicContact CG2-CD2 4.38Å; I336-L410 HydrophobicContact CG2-CG 4.38Å; K406-L410 PolarHBondContact O-N 2.87Å; V407-L410 PolarHBondContact O-N 3.44Å; L410-L412 PolarHBondContact O-N 3.46Å; L410-S413 PolarHBondContact O-N 2.83Å; L410-S413 VanDerWaalsContact O-N 3.14Å; L410-S413 PolarHBondContact O-OG 2.84Å; L410-L414 PolarHBondContact O-N 3.42Å
411L97.8Very high94.7Very high0 Ų037.2 Ų37.20%019%0.194CC..Hα-helixtrans-61.7-40.2179-68.6174.3000113.2I311 F319 I336 I340 L355 V407 M408 S413 L414I311-L411 HydrophobicContact CD1-CD1 3.87Å; F319-L411 HydrophobicContact CD1-CD1 4.46Å; F319-L411 HydrophobicContact CD1-CD2 4.44Å; F319-L411 HydrophobicContact CE1-CD1 4.44Å; F319-L411 HydrophobicContact CE1-CD2 4.01Å; I336-L411 HydrophobicContact CG1-CD2 3.78Å; I340-L411 HydrophobicContact CD1-CD2 3.87Å; I340-L411 HydrophobicContact CG1-CD2 4.4Å; L355-L411 HydrophobicContact CD1-CB 3.92Å; L355-L411 HydrophobicContact CD1-CD2 4.48Å; L355-L411 HydrophobicContact CD2-CB 3.79Å; V407-L411 HydrophobicContact CG1-CD1 3.89Å; V407-L411 HydrophobicContact CG1-CG 4.38Å; V407-L411 WeakPolarHBondContact O-CG 3.24Å; V407-L411 PolarHBondContact O-N 2.75Å; M408-L411 PolarHBondContact O-N 3.35Å; M408-L411 HydrophobicContact SD-CD1 4.12Å; L411-S413 VanDerWaalsContact C-N 3.28Å; L411-S413 PolarHBondContact O-N 3.48Å; L411-L414 HydrophobicContact CD2-CD1 4Å; L411-L414 WeakPolarHBondContact O-CB 3.49Å; L411-L414 WeakPolarHBondContact O-CG 3.47Å; L411-L414 PolarHBondContact O-N 3.06Å
412L97.6Very high94.6Very high3 Ų336.1 Ų36.12%0.01618%0.181CC..Hα-helixtrans-73.2-19177.7-71.3170.6000113.2L355 L358 Q359 I372 L375 A376 M408 T409 L410L355-L412 HydrophobicContact CD2-CD2 3.77Å; L355-L412 HydrophobicContact CD2-CG 4.14Å; L358-L412 HydrophobicContact CB-CD2 3.51Å; L358-L412 HydrophobicContact CD1-CD2 4.21Å; Q359-L412 HydrophobicContact CG-CD2 4.41Å; Q359-L412 PolarHBondContact NE2-O 3.37Å; I372-L412 HydrophobicContact CG2-CB 3.78Å; I372-L412 HydrophobicContact CG2-CD1 3.98Å; L375-L412 HydrophobicContact CB-CD1 4.19Å; A376-L412 HydrophobicContact CB-CD1 4.5Å; M408-L412 HydrophobicContact CE-CG 4.46Å; M408-L412 WeakPolarHBondContact O-CB 3.47Å; M408-L412 VanDerWaalsContact O-CG 3.23Å; M408-L412 WeakPolarHBondContact O-CG 3.32Å; M408-L412 PolarHBondContact O-N 2.94Å; T409-L412 PolarHBondContact O-N 3.32Å; L410-L412 PolarHBondContact O-N 3.46Å
413S94.8Very high94.2Very high29 Ų2935.2 Ų35.220%0.20317%0.169CC..Hα-helixtrans-84.5-8.3174.568.50000114M333 T409 L410 L411M333-S413 VanDerWaalsContact CE-O 3.29Å; M333-S413 WeakPolarHBondContact CE-O 3.41Å; T409-S413 WeakPolarHBondContact O-CB 3.39Å; T409-S413 PolarHBondContact O-N 2.99Å; T409-S413 PolarHBondContact O-OG 3.24Å; L410-S413 PolarHBondContact O-N 2.83Å; L410-S413 VanDerWaalsContact O-N 3.14Å; L410-S413 PolarHBondContact O-OG 2.84Å; L411-S413 VanDerWaalsContact C-N 3.28Å; L411-S413 PolarHBondContact O-N 3.48Å
414L95.2Very high93.3Very high0 Ų033.3 Ų33.30%016%0.163CC..SBendtrans-62.4136.9174.9-68169.9000110.8M333 I336 I340 Q359 L410 L411 R416 Y418 L419 F436M333-L414 HydrophobicContact CB-CD2 4.42Å; M333-L414 HydrophobicContact CG-CD2 4.12Å; I336-L414 HydrophobicContact CG2-CD1 4.21Å; I336-L414 HydrophobicContact CG2-CD2 3.84Å; I336-L414 HydrophobicContact CG2-CG 4.46Å; I340-L414 HydrophobicContact CD1-CD1 3.61Å; Q359-L414 PolarHBondContact NE2-O 3.36Å; L410-L414 PolarHBondContact O-N 3.42Å; L411-L414 HydrophobicContact CD2-CD1 4Å; L411-L414 WeakPolarHBondContact O-CB 3.49Å; L411-L414 WeakPolarHBondContact O-CG 3.47Å; L411-L414 PolarHBondContact O-N 3.06Å; L414-R416 PolarHBondContact O-N 2.77Å; L414-Y418 HydrophobicContact CB-CD1 4.17Å; L414-Y418 HydrophobicContact CD1-CD1 4.43Å; L414-Y418 HydrophobicContact CD1-CE1 3.98Å; L414-Y418 HydrophobicContact CD2-CE1 4.41Å; L414-L419 HydrophobicContact CB-CD2 4.39Å; L414-L419 HydrophobicContact CB-CG 4.4Å; L414-L419 HydrophobicContact CD1-CD2 4.25Å; L414-F436 HydrophobicContact CD2-CE1 3.7Å; L414-F436 HydrophobicContact CD2-CZ 4.26Å
415P94.8Very high91.6Very high41 Ų4136.3 Ų36.327%0.26618%0.184SC..  trans-55.9134.9179.8-26.534.6000112.7Q417 Y418 L419 F436P415-Q417 PolarHBondContact O-N 3.24Å; P415-Q417 VanDerWaalsContact O-N 3.17Å; P415-Y418 VanDerWaalsContact O-CB 3.3Å; P415-Y418 WeakPolarHBondContact O-CB 3.5Å; P415-Y418 PolarHBondContact O-N 3.07Å; P415-L419 PolarHBondContact O-N 3.14Å; P415-F436 HydrophobicContact CG-CD1 4.21Å
416R93.3Very high89.5Confident92 Ų9243.6 Ų43.635%0.34722%0.215SC..Hα-helixtrans-53.9-39.6178.3-178.8-177.6-67.3151.2-3.8112.3I356 E363 L414 Y418 L419 M420I356-R416 HydrophobicContact CG1-CG 4.37Å; E363-R416 IonicContact OE1-CZ 2.65Å; E363-R416 VanDerWaalsContact OE1-CZ 3.29Å; E363-R416 IonicContact OE1-NH1 2.79Å; E363-R416 PolarHBondContact OE1-NH1 3.05Å; E363-R416 IonicContact OE1-NH2 2.88Å; E363-R416 PolarHBondContact OE1-NH2 2.96Å; E363-R416 IonicContact OE2-CZ 3.19Å; E363-R416 IonicContact OE2-NH1 3.36Å; E363-R416 IonicContact OE2-NH2 3.08Å; E363-R416 PolarHBondContact OE2-NH2 3.44Å; L414-R416 PolarHBondContact O-N 2.77Å; R416-Y418 VanDerWaalsContact C-N 3.29Å; R416-Y418 PolarHBondContact O-N 2.96Å; R416-L419 PolarHBondContact O-N 3.33Å; R416-L419 VanDerWaalsContact O-N 3.15Å; R416-M420 HydrophobicContact CG-CG 4.45Å; R416-M420 VanDerWaalsContact O-CG 3.28Å; R416-M420 WeakPolarHBondContact O-CG 3.45Å; R416-M420 PolarHBondContact O-N 2.87Å
417Q90.8Very high87.1Confident102 Ų10244.7 Ų44.748%0.47722%0.22SC..Hα-helixtrans-64.6-34.1180-172.959.146.700112.4P415 F431P415-Q417 PolarHBondContact O-N 3.24Å; P415-Q417 VanDerWaalsContact O-N 3.17Å; Q417-F431 HydrophobicContact CB-CE2 4.43Å; Q417-F431 HydrophobicContact CB-CZ 4.18Å; Q417-F431 HydrophobicContact CG-CE2 3.45Å; Q417-F431 VanDerWaalsContact CG-CE2 3.45Å; Q417-F431 HydrophobicContact CG-CZ 3.41Å; Q417-F431 VanDerWaalsContact CG-CZ 3.41Å
418Y91.3Very high84.4Confident5 Ų547.5 Ų47.52%0.0224%0.243CC..Hα-helixtrans-65.4-44.7171.4161.9-90.3000111H337 I340 L414 P415 R416 M420 Q421 Y422 F431 F436H337-Y418 AromaticContact CE1-CE2 3.81Å; H337-Y418 AromaticContact ND1-CE2 3.23Å; H337-Y418 WeakPolarHBondContact ND1-CE2 3.37Å; H337-Y418 AromaticContact ND1-CZ 3.44Å; H337-Y418 PolarHBondContact ND1-OH 3.24Å; I340-Y418 HydrophobicContact CD1-CE1 4.35Å; L414-Y418 HydrophobicContact CB-CD1 4.17Å; L414-Y418 HydrophobicContact CD1-CD1 4.43Å; L414-Y418 HydrophobicContact CD1-CE1 3.98Å; L414-Y418 HydrophobicContact CD2-CE1 4.41Å; P415-Y418 VanDerWaalsContact O-CB 3.3Å; P415-Y418 WeakPolarHBondContact O-CB 3.5Å; P415-Y418 PolarHBondContact O-N 3.07Å; R416-Y418 VanDerWaalsContact C-N 3.29Å; R416-Y418 PolarHBondContact O-N 2.96Å; Y418-M420 VanDerWaalsContact C-N 3.31Å; Y418-M420 PolarHBondContact O-N 3.33Å; Y418-Q421 WeakPolarHBondContact O-CG 3.4Å; Y418-Q421 PolarHBondContact O-N 2.9Å; Y418-Q421 PolarHBondContact O-NE2 2.93Å; Y418-Y422 AromaticContact CE1-CE2 3.91Å; Y418-Y422 HydrophobicContact CE1-CE2 3.91Å; Y418-Y422 HydrophobicContact CE2-CE2 4.37Å; Y418-Y422 AromaticContact CZ-CE2 3.81Å; Y418-Y422 PolarHBondContact OH-OH 3.46Å; Y418-F431 HydrophobicContact CD2-CB 4.4Å; Y418-F436 HydrophobicContact CD1-CE1 4.49Å; Y418-F436 HydrophobicContact CD2-CE1 4.12Å; Y418-F436 AromaticContact CD2-CZ 3.88Å; Y418-F436 HydrophobicContact CD2-CZ 3.88Å; Y418-F436 HydrophobicContact CE2-CE1 4.42Å; Y418-F436 AromaticContact CE2-CZ 3.82Å; Y418-F436 HydrophobicContact CE2-CZ 3.82Å; Y418-F436 HydrophobicContact CG-CE1 4.15Å; Y418-F436 HydrophobicContact CG-CZ 4.34Å
419L93.8Very high81.6Confident3 Ų354.4 Ų54.42%0.01628%0.28CS..Hα-helixtrans-66.8-31.6179.7-63.9171.9000112.6A352 L355 I356 L414 P415 R416 Q421 Y422A352-L419 HydrophobicContact CB-CB 4.43Å; A352-L419 HydrophobicContact CB-CD2 4.46Å; L355-L419 HydrophobicContact CB-CD1 3.77Å; L355-L419 HydrophobicContact CD1-CD1 4.46Å; L355-L419 HydrophobicContact CD1-CD2 3.96Å; I356-L419 HydrophobicContact CD1-CB 3.49Å; I356-L419 VanDerWaalsContact CD1-CB 3.49Å; I356-L419 HydrophobicContact CG1-CB 3.63Å; I356-L419 HydrophobicContact CG1-CD1 3.92Å; I356-L419 HydrophobicContact CG1-CG 4.44Å; L414-L419 HydrophobicContact CB-CD2 4.39Å; L414-L419 HydrophobicContact CB-CG 4.4Å; L414-L419 HydrophobicContact CD1-CD2 4.25Å; P415-L419 PolarHBondContact O-N 3.14Å; R416-L419 PolarHBondContact O-N 3.33Å; R416-L419 VanDerWaalsContact O-N 3.15Å; L419-Q421 PolarHBondContact O-N 2.91Å; L419-Y422 PolarHBondContact O-N 3.21Å
420M92.1Very high78.9Confident62 Ų6262.6 Ų62.631%0.30531%0.305SS..Hα-helixtrans-59.9-26.3179.1-75.3-82.39900113.9I356 R416 Y418 Y422 I423 D424I356-M420 HydrophobicContact CB-CE 4.44Å; I356-M420 HydrophobicContact CD1-CE 3.1Å; I356-M420 HydrophobicContact CG1-CE 3.98Å; I356-M420 HydrophobicContact CG2-CE 3.92Å; R416-M420 HydrophobicContact CG-CG 4.45Å; R416-M420 VanDerWaalsContact O-CG 3.28Å; R416-M420 WeakPolarHBondContact O-CG 3.45Å; R416-M420 PolarHBondContact O-N 2.87Å; Y418-M420 VanDerWaalsContact C-N 3.31Å; Y418-M420 PolarHBondContact O-N 3.33Å; M420-Y422 PolarHBondContact O-N 3.47Å; M420-I423 HydrophobicContact CE-CD1 3.94Å; M420-I423 PolarHBondContact O-N 3.48Å; M420-I423 VanDerWaalsContact O-N 3.1Å; M420-D424 PolarHBondContact O-N 3.49Å
421Q90.1Very high76.4Confident36 Ų3665.6 Ų65.617%0.16832%0.318CS..THydrogen-bonded Turntrans-63.1-25.1-179.782.1-168.4-41.900113.2Y418 L419 I423Y418-Q421 WeakPolarHBondContact O-CG 3.4Å; Y418-Q421 PolarHBondContact O-N 2.9Å; Y418-Q421 PolarHBondContact O-NE2 2.93Å; L419-Q421 PolarHBondContact O-N 2.91Å; Q421-I423 VanDerWaalsContact C-N 3.33Å
422Y88.6Confident74.1Confident20 Ų2075.3 Ų75.38%0.07835%0.354CS..THydrogen-bonded Turntrans-85.8-4.2179.6-59.6-77.3000113.3I340 Q348 H349 A352 Y418 L419 M420I340-Y422 HydrophobicContact CG2-CE1 4.22Å; I340-Y422 HydrophobicContact CG2-CE2 4.15Å; Q348-Y422 HydrophobicContact CB-CD1 4.18Å; Q348-Y422 VanDerWaalsContact OE1-CE1 3.24Å; H349-Y422 PolarHBondContact CD2-O 3.28Å; H349-Y422 PolarHBondContact ND1-O 3.03Å; A352-Y422 HydrophobicContact CB-CD2 4.1Å; A352-Y422 HydrophobicContact CB-CG 4.24Å; Y418-Y422 AromaticContact CE1-CE2 3.91Å; Y418-Y422 HydrophobicContact CE1-CE2 3.91Å; Y418-Y422 HydrophobicContact CE2-CE2 4.37Å; Y418-Y422 AromaticContact CZ-CE2 3.81Å; Y418-Y422 PolarHBondContact OH-OH 3.46Å; L419-Y422 PolarHBondContact O-N 3.21Å; M420-Y422 PolarHBondContact O-N 3.47Å
423I84.7Confident71.8Confident33 Ų3376.5 Ų76.517%0.16937%0.365CS..THydrogen-bonded Turntrans-118-39.1-175.4-52.5179.4000110.9I239 A352 F353 I356 M420 Q421I239-I423 HydrophobicContact CD1-CG2 4.26Å; A352-I423 HydrophobicContact CB-CD1 4.32Å; A352-I423 HydrophobicContact CB-CG1 4.2Å; F353-I423 VanDerWaalsContact CA-CD1 3.47Å; F353-I423 HydrophobicContact CB-CD1 3.79Å; F353-I423 HydrophobicContact CD2-CD1 4.08Å; F353-I423 HydrophobicContact CG-CD1 4.45Å; I356-I423 HydrophobicContact CD1-CD1 3.38Å; I356-I423 HydrophobicContact CD1-CG1 4.48Å; M420-I423 HydrophobicContact CE-CD1 3.94Å; M420-I423 PolarHBondContact O-N 3.48Å; M420-I423 VanDerWaalsContact O-N 3.1Å; Q421-I423 VanDerWaalsContact C-N 3.33Å
424D75.8Confident69.8Low54 Ų5479.8 Ų79.829%0.28938%0.38SS..  trans-99.395.3-178.8-169.2-2.8000111.2M420 K426 K427 A428M420-D424 PolarHBondContact O-N 3.49Å; D424-K426 PolarHBondContact O-N 3.41Å; D424-K426 VanDerWaalsContact O-N 3.08Å; D424-K426 WeakPolarHBondContact OD1-CB 3.49Å; D424-K426 PolarHBondContact OD1-N 2.97Å; D424-K427 HydrophobicContact CB-CB 4.35Å; D424-K427 PolarHBondContact O-N 2.94Å; D424-K427 VanDerWaalsContact OD2-CD 3.25Å; D424-K427 WeakPolarHBondContact OD2-CD 3.37Å; D424-K427 WeakPolarHBondContact OD2-CE 3.37Å; D424-K427 WeakPolarHBondContact OD2-CG 3.41Å; D424-A428 PolarHBondContact O-N 3Å
425S59.1Low67.8Low64 Ų6483.6 Ų83.645%0.44840%0.4SS..G310 helixtrans-56.7-24.3175.7-39.30000112.6E236 K427E236-S425 WeakPolarHBondContact OE2-CB 3.47Å; E236-S425 PolarHBondContact OE2-OG 2.99Å; S425-K427 VanDerWaalsContact C-N 3.3Å; S425-K427 PolarHBondContact O-N 3.34Å
426K52.5Low65.6Low199 Ų19982 Ų8287%0.86539%0.39SS*.G310 helixtrans-78.6-11.3179.2-62.6-174.8178.4-177.90113.4D424D424-K426 PolarHBondContact O-N 3.41Å; D424-K426 VanDerWaalsContact O-N 3.08Å; D424-K426 WeakPolarHBondContact OD1-CB 3.49Å; D424-K426 PolarHBondContact OD1-N 2.97Å
427K45.7Very low63.2Low137 Ų13781.5 Ų81.560%0.59639%0.393SS*.G310 helixtrans-121.212-178.6-67.2-176.2-172.31730114D424 S425 N429D424-K427 HydrophobicContact CB-CB 4.35Å; D424-K427 PolarHBondContact O-N 2.94Å; D424-K427 VanDerWaalsContact OD2-CD 3.25Å; D424-K427 WeakPolarHBondContact OD2-CD 3.37Å; D424-K427 WeakPolarHBondContact OD2-CE 3.37Å; D424-K427 WeakPolarHBondContact OD2-CG 3.41Å; S425-K427 VanDerWaalsContact C-N 3.3Å; S425-K427 PolarHBondContact O-N 3.34Å; K427-N429 PolarHBondContact O-N 3.49Å
428A42.3Very low60.7Low59 Ų5980.8 Ų80.849%0.48839%0.392SS..  trans-62.1-4-173.400000116.1D424D424-A428 PolarHBondContact O-N 3Å
429N39.1Very low58Low145 Ų14585.5 Ų85.578%0.77542%0.424SS*.SBendtrans-100.2107.6167.7-91.4-15.2000109.3K427K427-N429 PolarHBondContact O-N 3.49Å
430R41.5Very low55.3Low224 Ų22489.2 Ų89.285%0.84546%0.463SS*.  trans175.1-5138.8-94.7157.9-163.4-154.15120
431F43.7Very low52.4Low69 Ų6990.4 Ų90.430%0.30347%0.474SS..  trans-105.3116.7-178.9-74.8-88.2000113.1Q417 Y418 D435Q417-F431 HydrophobicContact CB-CE2 4.43Å; Q417-F431 HydrophobicContact CB-CZ 4.18Å; Q417-F431 HydrophobicContact CG-CE2 3.45Å; Q417-F431 VanDerWaalsContact CG-CE2 3.45Å; Q417-F431 HydrophobicContact CG-CZ 3.41Å; Q417-F431 VanDerWaalsContact CG-CZ 3.41Å; Y418-F431 HydrophobicContact CD2-CB 4.4Å; F431-D435 WeakPolarHBondContact CA-OD2 3.45Å; F431-D435 HydrophobicContact CD1-CB 3.7Å; F431-D435 HydrophobicContact CE1-CB 4.18Å
432R50.3Low49.4Very low204 Ų20492.9 Ų92.977%0.7750%0.495SS*.  trans-96158.9166.9-74.3-175.5166.7-179.4-3.2109.4D434 D435R432-D434 PolarHBondContact O-N 3.29Å; R432-D435 PolarHBondContact N-OD2 3.28Å; R432-D435 WeakPolarHBondContact O-CB 3.35Å; R432-D435 PolarHBondContact O-N 3.41Å
433A48.9Very low46.8Very low28 Ų28102.1 Ų102.123%0.23153%0.53CS..THydrogen-bonded Turntrans-52.1-16.3177.600000114.5K334 F436K334-A433 VanDerWaalsContact CE-O 3.26Å; K334-A433 WeakPolarHBondContact CE-O 3.28Å; K334-A433 WeakPolarHBondContact CG-O 3.4Å; A433-F436 WeakPolarHBondContact O-CD2 3.32Å
434D52.6Low44.1Very low99 Ų99107.3 Ų107.353%0.52956%0.558SS.*THydrogen-bonded Turntrans-84.5-12.4179.9-64.1-42.5000114.7K334 R432 F436K334-D434 IonicContact NZ-OD1 2.71Å; K334-D434 PolarHBondContact NZ-OD1 2.95Å; R432-D434 PolarHBondContact O-N 3.29Å; D434-F436 PolarHBondContact O-N 2.93Å
435D51.9Low41.7Very low79 Ų79110.1 Ų110.142%0.42258%0.58SS.*  trans-85.56.3-171.5-63.3-37.6000115.2F431 R432 D437F431-D435 WeakPolarHBondContact CA-OD2 3.45Å; F431-D435 HydrophobicContact CD1-CB 3.7Å; F431-D435 HydrophobicContact CE1-CB 4.18Å; R432-D435 PolarHBondContact N-OD2 3.28Å; R432-D435 WeakPolarHBondContact O-CB 3.35Å; R432-D435 PolarHBondContact O-N 3.41Å; D435-D437 PolarHBondContact O-N 3.28Å
436F48.8Very low40.1Very low9 Ų9112.4 Ų112.44%0.03960%0.596CS.*  trans-75.985.9174.9-63.9-79.2000111M333 K334 H337 L414 P415 Y418 A433 D434M333-F436 HydrophobicContact CB-CD1 4.01Å; M333-F436 HydrophobicContact CB-CD2 4.28Å; M333-F436 HydrophobicContact CB-CE1 4.28Å; M333-F436 HydrophobicContact CB-CG 4.02Å; M333-F436 HydrophobicContact CG-CD1 4.41Å; M333-F436 HydrophobicContact SD-CB 4.28Å; M333-F436 HydrophobicContact SD-CD1 3.93Å; M333-F436 HydrophobicContact SD-CG 4.33Å; K334-F436 HydrophobicContact CG-CD2 4.43Å; H337-F436 HydrophobicContact CB-CE2 4.06Å; H337-F436 HydrophobicContact CB-CZ 4Å; L414-F436 HydrophobicContact CD2-CE1 3.7Å; L414-F436 HydrophobicContact CD2-CZ 4.26Å; P415-F436 HydrophobicContact CG-CD1 4.21Å; Y418-F436 HydrophobicContact CD1-CE1 4.49Å; Y418-F436 HydrophobicContact CD2-CE1 4.12Å; Y418-F436 AromaticContact CD2-CZ 3.88Å; Y418-F436 HydrophobicContact CD2-CZ 3.88Å; Y418-F436 HydrophobicContact CE2-CE1 4.42Å; Y418-F436 AromaticContact CE2-CZ 3.82Å; Y418-F436 HydrophobicContact CE2-CZ 3.82Å; Y418-F436 HydrophobicContact CG-CE1 4.15Å; Y418-F436 HydrophobicContact CG-CZ 4.34Å; A433-F436 WeakPolarHBondContact O-CD2 3.32Å; D434-F436 PolarHBondContact O-N 2.93Å
437D43.2Very low38.9Very low80 Ų80108.6 Ų108.643%0.42859%0.592SS.*PPolyproline II helixtrans-82.5141.1159.9-75-26.3000109.5D435 R443D435-D437 PolarHBondContact O-N 3.28Å; D437-R443 IonicContact OD2-NE 2.77Å; D437-R443 IonicContact OD2-NH2 3.29Å
438L38.7Very low38Very low87 Ų87109.6 Ų109.646%0.45560%0.603SS.*PPolyproline II helixtrans-66.8146.5-174.3-73.2166.1000111.7L329 G440 T441L329-L438 HydrophobicContact CD2-CD2 3.78Å; L329-L438 HydrophobicContact CG-CD2 4.38Å; L438-G440 PolarHBondContact O-N 3.45Å; L438-G440 VanDerWaalsContact O-N 3.09Å; L438-T441 HydrophobicContact CB-CG2 4.5Å; L438-T441 PolarHBondContact O-N 2.98Å; L438-T441 PolarHBondContact O-OG1 3.19Å
439P34.5Very low37.1Very low104 Ų104115 Ų11568%0.67562%0.623SS**THydrogen-bonded Turntrans-58.8117.4170.7-16.728.5000110
440G36.9Very low36.7Very low81 Ų81114.4 Ų114.484%0.83563%0.625SS**THydrogen-bonded Turntrans111.8-5.617800000116.1L438 S442L438-G440 PolarHBondContact O-N 3.45Å; L438-G440 VanDerWaalsContact O-N 3.09Å; G440-S442 PolarHBondContact O-N 3.34Å
441T30.6Very low35.8Very low87 Ų87111.9 Ų111.953%0.53462%0.623SS.*  trans-88.489170.2570000109.8L438L438-T441 HydrophobicContact CB-CG2 4.5Å; L438-T441 PolarHBondContact O-N 2.98Å; L438-T441 PolarHBondContact O-OG1 3.19Å
442S29Very low35.1Very low89 Ų89117.5 Ų117.562%0.62265%0.647SS**  trans-58.6134.1160.3174.20000108.8G440 D444G440-S442 PolarHBondContact O-N 3.34Å; S442-D444 PolarHBondContact O-N 3.45Å; S442-D444 PolarHBondContact OG-N 2.89Å; S442-D444 VanDerWaalsContact OG-N 3.12Å
443R32.5Very low34Very low213 Ų213116.4 Ų116.480%0.80465%0.648SS**SBendtrans-72.6-0.4171.5-87.6-173178.3-1740.6113.5D437 C445D437-R443 IonicContact OD2-NE 2.77Å; D437-R443 IonicContact OD2-NH2 3.29Å; R443-C445 PolarHBondContact O-N 3.47Å
444D28.7Very low32.9Very low142 Ų142120.9 Ų120.976%0.75967%0.672SS**  trans-99.872.6176.3-62.1-32.3000110.6S442S442-D444 PolarHBondContact O-N 3.45Å; S442-D444 PolarHBondContact OG-N 2.89Å; S442-D444 VanDerWaalsContact OG-N 3.12Å
445C25.7Very low31.7Very low113 Ų113123.9 Ų123.976%0.76469%0.688SS**  trans-163.381.8151.4-119.30000107.9R443 P447R443-C445 PolarHBondContact O-N 3.47Å; C445-P447 VanDerWaalsContact O-CD 3.26Å; C445-P447 WeakPolarHBondContact O-CD 3.46Å
446S24.3Very low30.5Very low112 Ų112125.5 Ų125.578%0.78370%0.701SS**  trans-75109.7150.6-60.60000106.5L448S446-L448 PolarHBondContact O-N 2.95Å
447P28.9Very low29.3Very low119 Ų119137.1 Ų137.177%0.77374%0.744SS**  trans-71.1123.1164.1-3.522.9000105.9C445 L449C445-P447 VanDerWaalsContact O-CD 3.26Å; C445-P447 WeakPolarHBondContact O-CD 3.46Å; P447-L449 PolarHBondContact O-N 3.36Å
448L24.9Very low28.7Very low158 Ų158139.1 Ų139.183%0.82776%0.759SS**  trans-42.3129.3170.8-75.3156.2000110S446 T450S446-L448 PolarHBondContact O-N 2.95Å; L448-T450 VanDerWaalsContact C-N 3.31Å; L448-T450 PolarHBondContact O-N 3.23Å
449L24.5Very low28.1Very low173 Ų173144.2 Ų144.291%0.90678%0.778SS**  trans-4995.7163.7-76.5146.6000109P447P447-L449 PolarHBondContact O-N 3.36Å
450T29.5Very low28Very low133 Ų133145.2 Ų145.282%0.81678%0.784SS**  trans-103.895.6155.649.90000107.5L448 K452L448-T450 VanDerWaalsContact C-N 3.31Å; L448-T450 PolarHBondContact O-N 3.23Å; T450-K452 PolarHBondContact O-N 3.02Å
451E23.5Very low27.5Very low171 Ų171150.2 Ų150.280%0.79979%0.786SS**  trans-43.8124.6152.5-64.117515000109.5
452K28.2Very low27.8Very low187 Ų187157.6 Ų157.681%0.81382%0.822SS**  177131.7123.8-96.3160.7-173.8175.70112.9T450T450-K452 PolarHBondContact O-N 3.02Å
453K28.2Very low27.7Very low180 Ų180161 Ų16178%0.78383%0.832SS**  trans79.493.4147.1-69.7179.7174.7-175.90118.7
454T24.8Very low27.5Very low122 Ų122158.3 Ų158.375%0.74883%0.833SS**  19.3115.2118.747.50000117
455L28.2Very low27.4Very low163 Ų163159.2 Ų159.285%0.85384%0.838SS**  trans-135.5109.4141.2-128.790.9000108.6
456T26.8Very low27.5Very low113 Ų113161.9 Ų161.969%0.69384%0.842SS**  trans-68.7126.1174.844.40000110.3T458T456-T458 PolarHBondContact O-N 3.12Å
457W24Very low27.7Very low253 Ų253165 Ų16596%0.95885%0.846SS**  trans-89.294.2164.5-82.285.3000108.8
458T30.5Very low27.6Very low121 Ų121168.1 Ų168.174%0.74285%0.85SS**PPolyproline II helixtrans-85.9127.4166.343.30000109.8T456T456-T458 PolarHBondContact O-N 3.12Å
459K26.6Very low27.8Very low194 Ų194168.8 Ų168.884%0.84385%0.852SS**PPolyproline II helixtrans-72.5134.5172.9-152.3-178.1-172.8-173.10108.9
460P32.3Very low28.1Very low125 Ų125168.5 Ų168.581%0.81285%0.848SS**PPolyproline II helixtrans-83.9123.2172.426.3-19.3000110.1
461E26.3Very low27.9Very low187 Ų187171.4 Ų171.487%0.87485%0.851SS**  trans-91.1111.4160.9-74.3178.6160.100108.4
462N36Very low28.3Very low241 Ų241171.5 Ų171.5100%1.28986%0.855SS**  trans175.30131.8-107.8-15.5000109.2

Retrieved 462 of 462 residues in 1201.2 ms (Link to these results)

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