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Dephospho-CoA kinase

Catalyzes the phosphorylation of the 3'-hydroxyl group of dephosphocoenzyme A to form coenzyme A.

AlphaFold DB , UniProt , Accession Q32JY9, Species SHIDS (Shigella dysenteriae serotype 1 (strain Sd197)), Gene coaE, Length 206 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
1M79.3Confident94.6Very high175 Ų17529.6 Ų29.686%0.86214%0.142SC*.  0171.50-56176.3-156.800108.7F200 E204M1-F200 HydrophobicContact CB-CE1 3.97Å; M1-F200 HydrophobicContact CB-CZ 4.12Å; M1-E204 WeakPolarHBondContact CB-OE1 3.36Å; M1-E204 VanDerWaalsContact CG-OE1 3.23Å; M1-E204 WeakPolarHBondContact CG-OE1 3.48Å; M1-E204 PolarHBondContact N-OE1 3.01Å; M1-E204 PolarHBondContact N-OE2 3.31Å
2R90.5Very high94.4Very high73 Ų7328.1 Ų28.128%0.27514%0.14SC..  trans-99.3146.6173.3-66.2-153.2175.5119-2.3110.1I4 I100 Q101 Q102 A103 V108R2-I4 PolarHBondContact O-N 3.08Å; R2-I100 WeakPolarHBondContact CD-O 3.27Å; R2-I100 PolarHBondContact NH1-O 3.07Å; R2-Q101 PolarHBondContact NH1-O 2.8Å; R2-Q101 PolarHBondContact NH2-O 3.22Å; R2-Q101 VanDerWaalsContact NH2-O 3.16Å; R2-Q102 VanDerWaalsContact NH1-C 3.26Å; R2-A103 WeakPolarHBondContact CD-O 3.24Å; R2-A103 VanDerWaalsContact CZ-C 3.41Å; R2-A103 PolarHBondContact NE-O 3.03Å; R2-A103 VanDerWaalsContact NH1-C 3.31Å; R2-A103 VanDerWaalsContact NH1-CA 3.3Å; R2-A103 PolarHBondContact NH1-O 3.42Å; R2-A103 PolarHBondContact NH2-O 3.26Å; R2-V108 HydrophobicContact CB-CG2 4.42Å
3Y97.4Very high94.4Very high20 Ų2026.1 Ų26.18%0.07813%0.13CC..EExtended strand (participates in β ladder)trans-73.7123.4171.6-163.8-92.6000109.2V5 Y107 V108 N125 R126 L196 A197 F200Y3-V5 HydrophobicContact CD1-CG2 4.07Å; Y3-V5 HydrophobicContact CE1-CG2 3.93Å; Y3-Y107 WeakPolarHBondContact O-CA 3.37Å; Y3-Y107 WeakPolarHBondContact O-CB 3.4Å; Y3-V108 PolarHBondContact O-N 3.23Å; Y3-N125 WeakPolarHBondContact CA-OD1 3.23Å; Y3-N125 HydrophobicContact CD1-CB 4.32Å; Y3-N125 HydrophobicContact CD2-CB 3.74Å; Y3-N125 HydrophobicContact CE1-CB 4.04Å; Y3-N125 HydrophobicContact CE2-CB 3.44Å; Y3-N125 VanDerWaalsContact CE2-CB 3.44Å; Y3-N125 HydrophobicContact CG-CB 4.18Å; Y3-R126 HydrophobicContact CE1-CB 4.18Å; Y3-L196 HydrophobicContact CE1-CB 4.03Å; Y3-L196 HydrophobicContact CE1-CD1 4.49Å; Y3-L196 HydrophobicContact CE2-CB 4.1Å; Y3-L196 WeakPolarHBondContact OH-CD1 3.49Å; Y3-A197 HydrophobicContact CD1-CB 4.35Å; Y3-A197 HydrophobicContact CG-CB 4.07Å; Y3-F200 HydrophobicContact CD2-CB 3.59Å; Y3-F200 HydrophobicContact CD2-CD1 4.16Å; Y3-F200 HydrophobicContact CD2-CD2 4.15Å; Y3-F200 AromaticContact CD2-CG 3.71Å; Y3-F200 HydrophobicContact CD2-CG 3.71Å; Y3-F200 HydrophobicContact CE2-CB 4.26Å
4I98.1Very high94.4Very high20 Ų2025.6 Ų25.610%0.10314%0.135CC..EExtended strand (participates in β ladder)trans-112.3120.8-174.5-60.8161.2000109R2 I100 W110 A124 N125 R126R2-I4 PolarHBondContact O-N 3.08Å; I4-I100 HydrophobicContact CD1-CD1 3.99Å; I4-I100 HydrophobicContact CD1-CG2 4.12Å; I4-I100 HydrophobicContact CG1-CG2 4.4Å; I4-W110 HydrophobicContact CG2-CB 3.83Å; I4-W110 HydrophobicContact CG2-CE3 4.16Å; I4-A124 HydrophobicContact CG2-CB 4.03Å; I4-N125 PolarHBondContact N-OD1 2.77Å; I4-N125 WeakPolarHBondContact O-CB 3.3Å; I4-N125 PolarHBondContact O-N 3.41Å; I4-R126 PolarHBondContact O-N 3.44Å
5V98.6Very high94.4Very high0 Ų025.7 Ų25.70%013%0.134CC..EExtended strand (participates in β ladder)trans-102.4113.7168.8-177.40000108.1Y3 Y107 V108 L109 W110 R126 L128 Y193Y3-V5 HydrophobicContact CD1-CG2 4.07Å; Y3-V5 HydrophobicContact CE1-CG2 3.93Å; V5-Y107 HydrophobicContact CG2-CD2 3.94Å; V5-Y107 HydrophobicContact CG2-CE2 4.3Å; V5-V108 PolarHBondContact N-O 2.79Å; V5-L109 HydrophobicContact CB-CD1 4.12Å; V5-L109 HydrophobicContact CG1-CD1 4Å; V5-L109 CarbonylContact O-C 3.49Å; V5-L109 WeakPolarHBondContact O-CA 3.46Å; V5-W110 PolarHBondContact O-N 2.89Å; V5-R126 CarbonylContact C-O 3.59Å; V5-R126 WeakPolarHBondContact CA-O 3.36Å; V5-R126 HydrophobicContact CG2-CB 4.36Å; V5-L128 HydrophobicContact CG1-CB 4.06Å; V5-Y193 HydrophobicContact CB-CE2 4.5Å; V5-Y193 HydrophobicContact CG1-CD2 4.28Å; V5-Y193 HydrophobicContact CG1-CE2 3.75Å; V5-Y193 HydrophobicContact CG2-CD1 4.2Å; V5-Y193 HydrophobicContact CG2-CD2 3.92Å; V5-Y193 HydrophobicContact CG2-CE1 4.49Å; V5-Y193 HydrophobicContact CG2-CE2 4.2Å; V5-Y193 HydrophobicContact CG2-CG 3.91Å
6A98.5Very high94.4Very high0 Ų028.3 Ų28.30%016%0.155CC..EExtended strand (participates in β ladder)trans-77.7126.5172.800000110.4W110 L115 A124 R126 L128A6-W110 CarbonylContact C-O 3.53Å; A6-W110 VanDerWaalsContact CA-O 3.27Å; A6-W110 WeakPolarHBondContact CA-O 3.39Å; A6-W110 HydrophobicContact CB-CE3 4.19Å; A6-L115 HydrophobicContact CB-CD1 3.84Å; A6-L115 HydrophobicContact CB-CD2 3.79Å; A6-A124 HydrophobicContact CB-CB 3.57Å; A6-R126 PolarHBondContact N-O 3.11Å; A6-L128 PolarHBondContact O-N 3.44Å
7L98.5Very high94.4Very high0 Ų031.2 Ų31.20%017%0.174CC..EExtended strand (participates in β ladder)trans-102.8121.9173-178.770.7000110K15 V18 A19 L109 W110 V111 V112 L128 V130L7-K15 HydrophobicContact CD2-CG 3.79Å; L7-K15 WeakPolarHBondContact CD2-O 3.4Å; L7-K15 HydrophobicContact CG-CG 3.89Å; L7-V18 HydrophobicContact CD1-CG1 3.86Å; L7-V18 HydrophobicContact CD2-CB 4.44Å; L7-V18 HydrophobicContact CD2-CG1 4.21Å; L7-A19 HydrophobicContact CD2-CB 3.75Å; L7-L109 HydrophobicContact CB-CD1 4.01Å; L7-L109 HydrophobicContact CB-CD2 4.49Å; L7-L109 HydrophobicContact CB-CG 4.12Å; L7-L109 HydrophobicContact CD2-CD2 4.09Å; L7-W110 PolarHBondContact N-O 3.48Å; L7-V111 HydrophobicContact CB-CG2 4.23Å; L7-V111 HydrophobicContact CD2-CG1 4.44Å; L7-V111 HydrophobicContact CD2-CG2 4Å; L7-V112 PolarHBondContact O-N 3.22Å; L7-L128 WeakPolarHBondContact CA-O 3.46Å; L7-L128 HydrophobicContact CD1-CB 4.15Å; L7-L128 HydrophobicContact CD1-CD2 3.7Å; L7-L128 HydrophobicContact CD1-CG 3.67Å; L7-V130 HydrophobicContact CD1-CG2 3.65Å
8T97.9Very high94.5Very high1 Ų129.5 Ų29.51%0.00616%0.164CC..EExtended strand (participates in β ladder)trans-135.4173.3175.2-161.10000112.1V112 P113 L115 V127 L128 V129 V130T8-V112 VanDerWaalsContact CB-O 3.32Å; T8-V112 WeakPolarHBondContact CB-O 3.21Å; T8-V112 PolarHBondContact OG1-O 3.39Å; T8-P113 PolarHBondContact OG1-O 2.81Å; T8-L115 HydrophobicContact CG2-CB 4.14Å; T8-L115 HydrophobicContact CG2-CD2 3.74Å; T8-V127 HydrophobicContact CG2-CG1 4.46Å; T8-L128 PolarHBondContact N-O 3.44Å; T8-V129 HydrophobicContact CG2-CG2 3.78Å; T8-V130 PolarHBondContact O-N 2.87Å
9G95.6Very high94.7Very high4 Ų428.2 Ų28.24%0.04116%0.157CC..  trans167.6149.1-179.300000111.1V130G9-V130 WeakPolarHBondContact CA-O 3.21Å
10G93.2Very high94.8Very high5 Ų531.9 Ų31.95%0.05218%0.177CC..  trans-66167.7177.700000112.8G12 S13G10-G12 PolarHBondContact O-N 3.48Å; G10-S13 WeakPolarHBondContact O-CB 3.33Å; G10-S13 PolarHBondContact O-N 3.29Å; G10-S13 VanDerWaalsContact O-N 3.1Å; G10-S13 PolarHBondContact O-OG 3.42Å; G10-S13 VanDerWaalsContact O-OG 3.09Å
11I92.6Very high94.9Very high28 Ų2831.4 Ų31.414%0.14418%0.177CC..THydrogen-bonded Turntrans-54.3140.5175-167.7166.9000111.1S13 Q137 T141 I155 L156I11-S13 PolarHBondContact O-N 2.71Å; I11-Q137 WeakPolarHBondContact O-CB 3.28Å; I11-Q137 WeakPolarHBondContact O-CG 3.27Å; I11-Q137 PolarHBondContact O-NE2 3.37Å; I11-T141 HydrophobicContact CD1-CG2 3.53Å; I11-T141 HydrophobicContact CG1-CG2 3.93Å; I11-I155 HydrophobicContact CB-CG2 4.48Å; I11-I155 HydrophobicContact CD1-CD1 4.18Å; I11-I155 HydrophobicContact CD1-CG2 3.75Å; I11-I155 HydrophobicContact CG2-CG2 4.22Å; I11-L156 HydrophobicContact CG2-CD2 3.58Å; I11-L156 HydrophobicContact CG2-CG 4.08Å
12G92.6Very high95.8Very high11 Ų1123 Ų2311%0.11314%0.136CC..THydrogen-bonded Turntrans72.62.9-178.200000115.5G10 G14 R140G10-G12 PolarHBondContact O-N 3.48Å; G12-G14 VanDerWaalsContact C-N 3.29Å; G12-G14 PolarHBondContact O-N 2.92Å; G12-R140 WeakPolarHBondContact O-CD 3.32Å
13S94.6Very high96.1Very high2 Ų221.5 Ų21.51%0.01414%0.139CC..SBendtrans-72-17.6-176.974.90000115.1G10 I11 K15 V130 N175G10-S13 WeakPolarHBondContact O-CB 3.33Å; G10-S13 PolarHBondContact O-N 3.29Å; G10-S13 VanDerWaalsContact O-N 3.1Å; G10-S13 PolarHBondContact O-OG 3.42Å; G10-S13 VanDerWaalsContact O-OG 3.09Å; I11-S13 PolarHBondContact O-N 2.71Å; S13-K15 PolarHBondContact OG-N 3.28Å; S13-V130 WeakPolarHBondContact CB-O 3.47Å; S13-V130 WeakPolarHBondContact O-CG1 3.41Å; S13-V130 PolarHBondContact OG-O 3.25Å; S13-N175 PolarHBondContact O-ND2 2.64Å
14G93.6Very high96.1Very high20 Ų2027.3 Ų27.321%0.20617%0.171CC..  trans87.516.5-174.500000114.5G12 S16 T17 V18G12-G14 VanDerWaalsContact C-N 3.29Å; G12-G14 PolarHBondContact O-N 2.92Å; G14-S16 VanDerWaalsContact C-N 3.26Å; G14-S16 PolarHBondContact O-N 2.81Å; G14-T17 WeakPolarHBondContact O-CA 3.35Å; G14-T17 VanDerWaalsContact O-CB 3.29Å; G14-T17 WeakPolarHBondContact O-CB 3.42Å; G14-T17 PolarHBondContact O-N 2.86Å; G14-V18 PolarHBondContact O-N 3.18Å; G14-V18 VanDerWaalsContact O-N 3.15Å
15K95Very high96.1Very high27 Ų2730.1 Ų30.112%0.11719%0.186CC..Hα-helixtrans-45.5-44174.4-177.7178.886.1-370114.3L7 S13 T17 V18 A19 V111L7-K15 HydrophobicContact CD2-CG 3.79Å; L7-K15 WeakPolarHBondContact CD2-O 3.4Å; L7-K15 HydrophobicContact CG-CG 3.89Å; S13-K15 PolarHBondContact OG-N 3.28Å; K15-T17 VanDerWaalsContact C-N 3.34Å; K15-T17 PolarHBondContact O-N 2.99Å; K15-V18 PolarHBondContact O-N 3.35Å; K15-A19 WeakPolarHBondContact O-CB 3.46Å; K15-A19 PolarHBondContact O-N 3.32Å; K15-V111 HydrophobicContact CD-CG1 3.9Å; K15-V111 HydrophobicContact CG-CG1 4.12Å
16S93.9Very high96Very high67 Ų6732.7 Ų32.747%0.46921%0.212SC..Hα-helixtrans-67.2-34.3179.2-57.90000112.7G14 A19 N20G14-S16 VanDerWaalsContact C-N 3.26Å; G14-S16 PolarHBondContact O-N 2.81Å; S16-A19 PolarHBondContact O-N 2.88Å; S16-N20 WeakPolarHBondContact O-CB 3.39Å; S16-N20 PolarHBondContact O-N 3.35Å; S16-N20 PolarHBondContact O-ND2 3.1Å; S16-N20 PolarHBondContact O-OD1 3.39Å
17T94.4Very high96Very high78 Ų7833 Ų3348%0.47921%0.214SC..Hα-helixtrans-64-44.7173.9-52.80000110.9G14 K15 N20 A21 I182G14-T17 WeakPolarHBondContact O-CA 3.35Å; G14-T17 VanDerWaalsContact O-CB 3.29Å; G14-T17 WeakPolarHBondContact O-CB 3.42Å; G14-T17 PolarHBondContact O-N 2.86Å; K15-T17 VanDerWaalsContact C-N 3.34Å; K15-T17 PolarHBondContact O-N 2.99Å; T17-N20 PolarHBondContact O-N 2.92Å; T17-A21 WeakPolarHBondContact O-CB 3.41Å; T17-A21 PolarHBondContact O-N 3.09Å; T17-I182 HydrophobicContact CG2-CD1 3.87Å
18V96.9Very high96Very high0 Ų035.6 Ų35.60%023%0.228CC..Hα-helixtrans-63.6-43.8175.6173.10000111.3L7 G14 K15 N20 A21 F22 L128 V130 I173 I182 V186L7-V18 HydrophobicContact CD1-CG1 3.86Å; L7-V18 HydrophobicContact CD2-CB 4.44Å; L7-V18 HydrophobicContact CD2-CG1 4.21Å; G14-V18 PolarHBondContact O-N 3.18Å; G14-V18 VanDerWaalsContact O-N 3.15Å; K15-V18 PolarHBondContact O-N 3.35Å; V18-N20 PolarHBondContact O-N 3.03Å; V18-A21 PolarHBondContact O-N 3.48Å; V18-F22 HydrophobicContact CG1-CD2 3.96Å; V18-F22 HydrophobicContact CG1-CE2 3.82Å; V18-F22 WeakPolarHBondContact O-CD2 3.37Å; V18-F22 PolarHBondContact O-N 3.39Å; V18-F22 VanDerWaalsContact O-N 3.1Å; V18-L128 HydrophobicContact CG1-CD2 4.36Å; V18-V130 HydrophobicContact CB-CG2 3.92Å; V18-V130 HydrophobicContact CG1-CG2 4.05Å; V18-V130 HydrophobicContact CG2-CG1 4.02Å; V18-V130 HydrophobicContact CG2-CG2 3.69Å; V18-I173 HydrophobicContact CG1-CD1 3.73Å; V18-I173 HydrophobicContact CG2-CD1 4.1Å; V18-I182 HydrophobicContact CG2-CG2 3.89Å; V18-V186 HydrophobicContact CG1-CG2 4.08Å
19A97.6Very high96Very high4 Ų437.8 Ų37.83%0.03324%0.241CC..Hα-helixtrans-58.9-46.8177.300000112L7 K15 S16 A21 F22 A23 V29 L109 V111L7-A19 HydrophobicContact CD2-CB 3.75Å; K15-A19 WeakPolarHBondContact O-CB 3.46Å; K15-A19 PolarHBondContact O-N 3.32Å; S16-A19 PolarHBondContact O-N 2.88Å; A19-A21 VanDerWaalsContact C-N 3.35Å; A19-A21 PolarHBondContact O-N 2.7Å; A19-F22 PolarHBondContact O-N 3.11Å; A19-A23 PolarHBondContact O-N 3.44Å; A19-V29 HydrophobicContact CB-CG1 4.26Å; A19-L109 HydrophobicContact CB-CD2 4.41Å; A19-V111 HydrophobicContact CB-CG2 3.93Å
20N96.5Very high96.2Very high103 Ų10337.8 Ų37.855%0.55124%0.24SC*.Hα-helixtrans-62.5-41.7177.3-69.2-10.3000111.7S16 T17 V18 F22 A23 D24S16-N20 WeakPolarHBondContact O-CB 3.39Å; S16-N20 PolarHBondContact O-N 3.35Å; S16-N20 PolarHBondContact O-ND2 3.1Å; S16-N20 PolarHBondContact O-OD1 3.39Å; T17-N20 PolarHBondContact O-N 2.92Å; V18-N20 PolarHBondContact O-N 3.03Å; N20-F22 VanDerWaalsContact C-N 3.3Å; N20-F22 PolarHBondContact O-N 3Å; N20-A23 CarbonylContact O-C 3.58Å; N20-A23 WeakPolarHBondContact O-CA 3.47Å; N20-A23 WeakPolarHBondContact O-CB 3.3Å; N20-A23 PolarHBondContact O-N 3.17Å; N20-D24 VanDerWaalsContact O-CG 3.28Å; N20-D24 PolarHBondContact O-N 3.46Å
21A96.8Very high96.4Very high21 Ų2138.9 Ų38.917%0.17425%0.245CC..Hα-helixtrans-61.8-35.7177.500000112.8T17 V18 A19 L25 V186T17-A21 WeakPolarHBondContact O-CB 3.41Å; T17-A21 PolarHBondContact O-N 3.09Å; V18-A21 PolarHBondContact O-N 3.48Å; A19-A21 VanDerWaalsContact C-N 3.35Å; A19-A21 PolarHBondContact O-N 2.7Å; A21-L25 WeakPolarHBondContact O-CG 3.2Å; A21-L25 PolarHBondContact O-N 3.22Å; A21-V186 HydrophobicContact CB-CB 4.26Å; A21-V186 HydrophobicContact CB-CG1 3.9Å; A21-V186 HydrophobicContact CB-CG2 3.98Å
22F98.3Very high96.5Very high0 Ų038.3 Ų38.30%024%0.244CC..Hα-helixtrans-70.4-37170.4-83.4-72.1000112.7V18 A19 N20 D24 L25 I27 Y107 L109 L128 V186 L189 H190 Y193V18-F22 HydrophobicContact CG1-CD2 3.96Å; V18-F22 HydrophobicContact CG1-CE2 3.82Å; V18-F22 WeakPolarHBondContact O-CD2 3.37Å; V18-F22 PolarHBondContact O-N 3.39Å; V18-F22 VanDerWaalsContact O-N 3.1Å; A19-F22 PolarHBondContact O-N 3.11Å; N20-F22 VanDerWaalsContact C-N 3.3Å; N20-F22 PolarHBondContact O-N 3Å; F22-D24 VanDerWaalsContact C-N 3.31Å; F22-D24 PolarHBondContact O-N 3.15Å; F22-L25 WeakPolarHBondContact O-CB 3.36Å; F22-L25 PolarHBondContact O-N 2.85Å; F22-L25 VanDerWaalsContact O-N 3.14Å; F22-I27 HydrophobicContact CB-CB 4.4Å; F22-I27 WeakPolarHBondContact O-CB 3.33Å; F22-I27 PolarHBondContact O-N 2.97Å; F22-Y107 WeakPolarHBondContact CD1-OH 3.2Å; F22-Y107 WeakPolarHBondContact CE1-OH 3.45Å; F22-L109 HydrophobicContact CB-CD2 3.65Å; F22-L109 HydrophobicContact CD2-CD1 4.29Å; F22-L109 HydrophobicContact CD2-CD2 3.67Å; F22-L109 HydrophobicContact CG-CD2 3.86Å; F22-L128 HydrophobicContact CE2-CD2 3.63Å; F22-L128 HydrophobicContact CZ-CD2 4.01Å; F22-V186 HydrophobicContact CD1-CG1 3.96Å; F22-V186 HydrophobicContact CD2-CG1 3.98Å; F22-V186 HydrophobicContact CD2-CG2 4.37Å; F22-V186 HydrophobicContact CE1-CG1 4.03Å; F22-V186 HydrophobicContact CE2-CG1 4.03Å; F22-V186 HydrophobicContact CE2-CG2 4.09Å; F22-V186 HydrophobicContact CG-CG1 3.94Å; F22-V186 HydrophobicContact CZ-CG1 4.07Å; F22-L189 HydrophobicContact CZ-CB 4.06Å; F22-H190 HydrophobicContact CD1-CB 4.3Å; F22-H190 HydrophobicContact CE1-CB 3.87Å; F22-Y193 HydrophobicContact CE1-CD2 4.03Å; F22-Y193 HydrophobicContact CE1-CE2 4.19Å; F22-Y193 HydrophobicContact CZ-CD2 4.15Å; F22-Y193 AromaticContact CZ-CE2 3.83Å; F22-Y193 HydrophobicContact CZ-CE2 3.83Å
23A97.9Very high96.5Very high41 Ų4141.1 Ų41.134%0.33926%0.257SS..Hα-helixtrans-61.4-40.6175.300000111.6A19 N20 L25 G26 V29A19-A23 PolarHBondContact O-N 3.44Å; N20-A23 CarbonylContact O-C 3.58Å; N20-A23 WeakPolarHBondContact O-CA 3.47Å; N20-A23 WeakPolarHBondContact O-CB 3.3Å; N20-A23 PolarHBondContact O-N 3.17Å; A23-L25 PolarHBondContact O-N 3.5Å; A23-G26 WeakPolarHBondContact O-CA 3.41Å; A23-G26 PolarHBondContact O-N 3Å; A23-V29 HydrophobicContact CB-CG2 3.8Å
24D97.2Very high96.5Very high142 Ų14245 Ų4576%0.75928%0.277SS*.Hα-helixtrans-63.1-24.7175.9-66.4-23.2000112.4N20 F22 G26N20-D24 VanDerWaalsContact O-CG 3.28Å; N20-D24 PolarHBondContact O-N 3.46Å; F22-D24 VanDerWaalsContact C-N 3.31Å; F22-D24 PolarHBondContact O-N 3.15Å; D24-G26 PolarHBondContact O-N 2.8Å
25L97.5Very high96.7Very high78 Ų7844.1 Ų44.141%0.40827%0.267SS..THydrogen-bonded Turntrans-84.88.9171.5-63.3173.6000113.3A21 F22 A23 V186 H190A21-L25 WeakPolarHBondContact O-CG 3.2Å; A21-L25 PolarHBondContact O-N 3.22Å; F22-L25 WeakPolarHBondContact O-CB 3.36Å; F22-L25 PolarHBondContact O-N 2.85Å; F22-L25 VanDerWaalsContact O-N 3.14Å; A23-L25 PolarHBondContact O-N 3.5Å; L25-V186 HydrophobicContact CD1-CG1 3.77Å; L25-H190 HydrophobicContact CD1-CB 3.77Å
26G97.9Very high96.6Very high54 Ų5444.1 Ų44.156%0.55727%0.272SS*.THydrogen-bonded Turntrans82.217176.500000114.9A23 D24 S105A23-G26 WeakPolarHBondContact O-CA 3.41Å; A23-G26 PolarHBondContact O-N 3Å; D24-G26 PolarHBondContact O-N 2.8Å; G26-S105 WeakPolarHBondContact O-CB 3.35Å
27I98.4Very high96.7Very high7 Ų746.7 Ų46.74%0.03627%0.272CS..PPolyproline II helixtrans-86.9131.3176.6-58.6-58.4000110.4F22 V29 Y107 L109F22-I27 HydrophobicContact CB-CB 4.4Å; F22-I27 WeakPolarHBondContact O-CB 3.33Å; F22-I27 PolarHBondContact O-N 2.97Å; I27-V29 PolarHBondContact O-N 2.96Å; I27-Y107 HydrophobicContact CB-CE2 4.48Å; I27-Y107 HydrophobicContact CD1-CD1 3.85Å; I27-Y107 HydrophobicContact CD1-CE1 3.35Å; I27-Y107 HydrophobicContact CD1-CE2 4.1Å; I27-Y107 HydrophobicContact CD1-CG 4.4Å; I27-Y107 VanDerWaalsContact CD1-CZ 3.49Å; I27-Y107 HydrophobicContact CG1-CE1 3.99Å; I27-Y107 HydrophobicContact CG1-CE2 4.06Å; I27-Y107 WeakPolarHBondContact CG1-OH 3.38Å; I27-Y107 HydrophobicContact CG2-CD2 4.02Å; I27-Y107 HydrophobicContact CG2-CE2 3.64Å; I27-L109 HydrophobicContact CG2-CB 3.92Å
28N98.3Very high96.8Very high54 Ų5446.3 Ų46.329%0.28927%0.265SS..EExtended strand (participates in β ladder)trans-68119.1171.7-64.8122.7000110.1A103 T104 S105 L109N28-A103 HydrophobicContact CB-CB 3.66Å; N28-A103 VanDerWaalsContact OD1-CA 3.27Å; N28-A103 WeakPolarHBondContact OD1-CA 3.35Å; N28-T104 PolarHBondContact OD1-N 2.83Å; N28-S105 WeakPolarHBondContact CB-OG 3.45Å; N28-S105 PolarHBondContact N-OG 2.94Å; N28-S105 WeakPolarHBondContact OD1-CB 3.37Å; N28-S105 PolarHBondContact OD1-N 3.39Å; N28-S105 PolarHBondContact OD1-OG 3.06Å; N28-S105 VanDerWaalsContact OD1-OG 3.08Å; N28-L109 PolarHBondContact O-N 3.44Å
29V98.4Very high96.7Very high48 Ų4847.4 Ų47.429%0.29127%0.271SS..EExtended strand (participates in β ladder)trans-96.5123.6174.7-178.70000108.7A19 A23 I27 L109 V111A19-V29 HydrophobicContact CB-CG1 4.26Å; A23-V29 HydrophobicContact CB-CG2 3.8Å; I27-V29 PolarHBondContact O-N 2.96Å; V29-L109 CarbonylContact C-O 3.51Å; V29-L109 WeakPolarHBondContact CA-O 3.17Å; V29-L109 HydrophobicContact CG2-CB 4.34Å; V29-L109 HydrophobicContact CG2-CD2 4.12Å; V29-V111 HydrophobicContact CG1-CG2 3.51Å
30I98Very high96.7Very high4 Ų447.3 Ų47.32%0.02127%0.27CS..EExtended strand (participates in β ladder)trans-113.7109.2176.2-60.9-179.2000106.9I35 T96 Q99 I100 V108 L109 W110 V111I30-I35 HydrophobicContact CG2-CD1 3.6Å; I30-T96 HydrophobicContact CG2-CG2 4.32Å; I30-Q99 HydrophobicContact CD1-CB 3.69Å; I30-Q99 HydrophobicContact CG1-CB 4.12Å; I30-Q99 HydrophobicContact CG2-CB 4.14Å; I30-I100 VanDerWaalsContact CD1-CA 3.49Å; I30-I100 HydrophobicContact CD1-CB 4.13Å; I30-I100 HydrophobicContact CD1-CG1 3.48Å; I30-I100 VanDerWaalsContact CD1-CG1 3.48Å; I30-I100 VanDerWaalsContact CD1-N 3.26Å; I30-V108 HydrophobicContact CB-CG1 4.34Å; I30-V108 HydrophobicContact CD1-CG1 3.56Å; I30-V108 HydrophobicContact CG1-CG1 3.91Å; I30-L109 PolarHBondContact N-O 2.8Å; I30-W110 CarbonylContact O-C 3Å; I30-W110 WeakPolarHBondContact O-CA 3.39Å; I30-V111 PolarHBondContact O-N 2.9Å
31D97.2Very high96.7Very high27 Ų2747.4 Ų47.414%0.14427%0.267CS..EExtended strand (participates in β ladder)trans-104.4117.6-173.8-169.4-37.5000111.1D33 I34 I35 V111D31-D33 PolarHBondContact O-N 3.04Å; D31-D33 WeakPolarHBondContact OD1-CB 3.29Å; D31-D33 PolarHBondContact OD1-N 3.16Å; D31-I34 HydrophobicContact CB-CB 4.06Å; D31-I34 HydrophobicContact CB-CD1 3.83Å; D31-I34 HydrophobicContact CB-CG1 3.83Å; D31-I34 PolarHBondContact O-N 2.89Å; D31-I35 WeakPolarHBondContact O-CG1 3.17Å; D31-I35 PolarHBondContact O-N 2.9Å; D31-V111 HydrophobicContact CB-CB 4.17Å
32A94.7Very high96.7Very high16 Ų1649.9 Ų49.913%0.13228%0.281CS..Hα-helixtrans-61-31.3-179.400000112.8A36 V111 V112A32-A36 VanDerWaalsContact O-CB 3.28Å; A32-A36 WeakPolarHBondContact O-CB 3.28Å; A32-A36 PolarHBondContact O-N 3.4Å; A32-V111 WeakPolarHBondContact CB-O 3.47Å; A32-V111 PolarHBondContact N-O 2.87Å; A32-V112 HydrophobicContact CB-CG2 4.36Å
33D92.8Very high96.5Very high70 Ų7052.8 Ų52.837%0.37431%0.312SS..Hα-helixtrans-72.4-33.7175.6-79.2-4.6000111.4D31 R37 P113D31-D33 PolarHBondContact O-N 3.04Å; D31-D33 WeakPolarHBondContact OD1-CB 3.29Å; D31-D33 PolarHBondContact OD1-N 3.16Å; D33-R37 VanDerWaalsContact C-NH1 3.3Å; D33-R37 WeakPolarHBondContact O-CG 3.5Å; D33-R37 PolarHBondContact O-N 3.45Å; D33-R37 PolarHBondContact O-NH1 3.18Å; D33-P113 WeakPolarHBondContact OD2-CG 3.46Å
34I95.5Very high96.4Very high85 Ų8551.7 Ų51.744%0.43630%0.303SS..Hα-helixtrans-68.4-47.3174.5-65.2-179.4000109.2D31 A36 R37 Q38D31-I34 HydrophobicContact CB-CB 4.06Å; D31-I34 HydrophobicContact CB-CD1 3.83Å; D31-I34 HydrophobicContact CB-CG1 3.83Å; D31-I34 PolarHBondContact O-N 2.89Å; I34-A36 VanDerWaalsContact C-N 3.32Å; I34-A36 PolarHBondContact O-N 3.14Å; I34-R37 WeakPolarHBondContact O-CA 3.48Å; I34-R37 WeakPolarHBondContact O-CB 3.48Å; I34-R37 PolarHBondContact O-N 3.33Å; I34-Q38 HydrophobicContact CG2-CG 4.27Å; I34-Q38 WeakPolarHBondContact O-CG 3.15Å; I34-Q38 PolarHBondContact O-N 3.15Å
35I96.8Very high96.3Very high0 Ų050.3 Ų50.30%030%0.301CS..Hα-helixtrans-58.2-45.2176.9-68.5171.3000111I30 D31 R37 Q38 V39 I92 E95 T96I30-I35 HydrophobicContact CG2-CD1 3.6Å; D31-I35 WeakPolarHBondContact O-CG1 3.17Å; D31-I35 PolarHBondContact O-N 2.9Å; I35-R37 PolarHBondContact O-N 2.75Å; I35-R37 VanDerWaalsContact O-N 3.12Å; I35-Q38 PolarHBondContact O-N 2.79Å; I35-V39 HydrophobicContact CG2-CG1 4.1Å; I35-V39 WeakPolarHBondContact O-CG1 3.18Å; I35-V39 WeakPolarHBondContact O-CG2 3.35Å; I35-V39 PolarHBondContact O-N 3.05Å; I35-I92 HydrophobicContact CG2-CB 4.23Å; I35-I92 HydrophobicContact CG2-CG1 4.33Å; I35-I92 HydrophobicContact CG2-CG2 3.92Å; I35-E95 HydrophobicContact CG1-CG 4.25Å; I35-E95 HydrophobicContact CG2-CB 3.75Å; I35-E95 HydrophobicContact CG2-CG 3.72Å; I35-T96 WeakPolarHBondContact CD1-OG1 3.38Å
36A94.2Very high96.3Very high27 Ų2746.8 Ų46.822%0.22328%0.284CS..Hα-helixtrans-59.5-23.8176.200000113.1A32 I34 I92A32-A36 VanDerWaalsContact O-CB 3.28Å; A32-A36 WeakPolarHBondContact O-CB 3.28Å; A32-A36 PolarHBondContact O-N 3.4Å; I34-A36 VanDerWaalsContact C-N 3.32Å; I34-A36 PolarHBondContact O-N 3.14Å; A36-I92 HydrophobicContact CB-CD1 3.76Å; A36-I92 HydrophobicContact CB-CG1 4.34Å
37R95.1Very high96.3Very high121 Ų12144.4 Ų44.446%0.45726%0.258SS..Hα-helixtrans-81.1-43.6171.7-66.8179.4-172.792.5-4.9112.1D33 I34 I35 V40 R67D33-R37 VanDerWaalsContact C-NH1 3.3Å; D33-R37 WeakPolarHBondContact O-CG 3.5Å; D33-R37 PolarHBondContact O-N 3.45Å; D33-R37 PolarHBondContact O-NH1 3.18Å; I34-R37 WeakPolarHBondContact O-CA 3.48Å; I34-R37 WeakPolarHBondContact O-CB 3.48Å; I34-R37 PolarHBondContact O-N 3.33Å; I35-R37 PolarHBondContact O-N 2.75Å; I35-R37 VanDerWaalsContact O-N 3.12Å; R37-V40 VanDerWaalsContact O-CG2 3.27Å; R37-V40 WeakPolarHBondContact O-CG2 3.49Å; R37-V40 PolarHBondContact O-N 2.96Å; R37-R67 VanDerWaalsContact CA-NH2 3.28Å; R37-R67 PolarHBondContact O-NH2 3.24Å
38Q95.9Very high96.2Very high71 Ų7148.6 Ų48.633%0.33228%0.277SS..Hα-helixtrans-63-42.2-177.6-71.5171.1-30.900112.8I34 I35 V40 E41I34-Q38 HydrophobicContact CG2-CG 4.27Å; I34-Q38 WeakPolarHBondContact O-CG 3.15Å; I34-Q38 PolarHBondContact O-N 3.15Å; I35-Q38 PolarHBondContact O-N 2.79Å; Q38-V40 PolarHBondContact O-N 3.18Å; Q38-E41 WeakPolarHBondContact O-CB 3.36Å; Q38-E41 PolarHBondContact O-N 2.83Å
39V96.6Very high96.2Very high22 Ų2247.2 Ų47.213%0.13327%0.274CS..THydrogen-bonded Turntrans-65.6-9.8-177.8-61.50000114I35 A44 A46 L88 L91 I92 E95I35-V39 HydrophobicContact CG2-CG1 4.1Å; I35-V39 WeakPolarHBondContact O-CG1 3.18Å; I35-V39 WeakPolarHBondContact O-CG2 3.35Å; I35-V39 PolarHBondContact O-N 3.05Å; V39-A44 WeakPolarHBondContact O-CB 3.46Å; V39-A46 VanDerWaalsContact O-CB 3.31Å; V39-A46 WeakPolarHBondContact O-CB 3.16Å; V39-L88 HydrophobicContact CG2-CD2 4.26Å; V39-L91 HydrophobicContact CB-CB 4.35Å; V39-L91 HydrophobicContact CG1-CB 4.27Å; V39-I92 HydrophobicContact CG2-CG1 3.96Å; V39-E95 HydrophobicContact CG1-CB 4.27Å
40V96.8Very high96.2Very high3 Ų345 Ų452%0.01826%0.26CS..THydrogen-bonded Turntrans-123.922.5176.9-630000112.4R37 Q38 A46 I50 L65 L88R37-V40 VanDerWaalsContact O-CG2 3.27Å; R37-V40 WeakPolarHBondContact O-CG2 3.49Å; R37-V40 PolarHBondContact O-N 2.96Å; Q38-V40 PolarHBondContact O-N 3.18Å; V40-A46 HydrophobicContact CG1-CB 4.11Å; V40-I50 HydrophobicContact CB-CD1 4.48Å; V40-I50 HydrophobicContact CG1-CD1 3.63Å; V40-L65 HydrophobicContact CB-CD2 4.23Å; V40-L65 HydrophobicContact CG2-CD2 3.81Å; V40-L88 HydrophobicContact CG1-CD2 3.58Å
41E96.4Very high96.1Very high104 Ų10445.2 Ų45.249%0.48626%0.263SS..SBendtrans-67.7160.9172.6-82.5178.5-176.300112.2Q38 G43 A44Q38-E41 WeakPolarHBondContact O-CB 3.36Å; Q38-E41 PolarHBondContact O-N 2.83Å; E41-G43 PolarHBondContact O-N 3.48Å; E41-A44 WeakPolarHBondContact O-CB 3.47Å; E41-A44 PolarHBondContact O-N 2.93Å
42P96.6Very high96.1Very high73 Ų7350.8 Ų50.847%0.47429%0.292SS..THydrogen-bonded Turntrans-49.9129.9177.1-26.233.8000112.1T64P42-T64 HydrophobicContact CG-CG2 3.89Å
43G93.4Very high96.2Very high62 Ų6253.8 Ų53.864%0.63930%0.304SS*.THydrogen-bonded Turntrans90-13.6-176.200000115E41E41-G43 PolarHBondContact O-N 3.48Å
44A96.2Very high96.4Very high18 Ų1850.8 Ų50.815%0.14929%0.287CS..  trans-67.7138.217700000111.6V39 E41 A46 L47 H48V39-A44 WeakPolarHBondContact O-CB 3.46Å; E41-A44 WeakPolarHBondContact O-CB 3.47Å; E41-A44 PolarHBondContact O-N 2.93Å; A44-A46 PolarHBondContact O-N 3.33Å; A44-L47 WeakPolarHBondContact O-CB 3.33Å; A44-L47 PolarHBondContact O-N 3.02Å; A44-L47 VanDerWaalsContact O-N 3.16Å; A44-H48 PolarHBondContact O-N 3.47Å; A44-H48 PolarHBondContact O-ND1 3.35Å
45P96.5Very high96.4Very high112 Ų11248 Ų4873%0.72728%0.279SS*.Hα-helixtrans-57.3-34.3175.2-27.435.4000113.6L47 H48 A49P45-L47 VanDerWaalsContact C-N 3.33Å; P45-L47 PolarHBondContact O-N 3.48Å; P45-H48 PolarHBondContact O-N 3.2Å; P45-A49 PolarHBondContact O-N 3.1Å
46A97.3Very high96.3Very high5 Ų552 Ų524%0.04131%0.312CS..Hα-helixtrans-66.9-34.5179.500000112.7V39 V40 A44 H48 A49 I50 L88 L91V39-A46 VanDerWaalsContact O-CB 3.31Å; V39-A46 WeakPolarHBondContact O-CB 3.16Å; V40-A46 HydrophobicContact CG1-CB 4.11Å; A44-A46 PolarHBondContact O-N 3.33Å; A46-H48 VanDerWaalsContact C-N 3.33Å; A46-A49 PolarHBondContact O-N 3.49Å; A46-I50 VanDerWaalsContact O-CG1 3.25Å; A46-I50 WeakPolarHBondContact O-CG1 3.44Å; A46-I50 PolarHBondContact O-N 3.27Å; A46-L88 HydrophobicContact CB-CD2 4.15Å; A46-L91 HydrophobicContact CB-CD1 3.49Å; A46-L91 VanDerWaalsContact CB-CD1 3.49Å
47L97.8Very high96.3Very high3 Ų355.9 Ų55.92%0.01633%0.329CS..Hα-helixtrans-63.5-42.3176.1179.959.9000111.1A44 P45 I50 A51 I59 G63 L65A44-L47 WeakPolarHBondContact O-CB 3.33Å; A44-L47 PolarHBondContact O-N 3.02Å; A44-L47 VanDerWaalsContact O-N 3.16Å; P45-L47 VanDerWaalsContact C-N 3.33Å; P45-L47 PolarHBondContact O-N 3.48Å; L47-I50 PolarHBondContact O-N 3.34Å; L47-A51 PolarHBondContact O-N 3.14Å; L47-I59 HydrophobicContact CD1-CG1 4.16Å; L47-I59 HydrophobicContact CG-CD1 4.19Å; L47-I59 HydrophobicContact CG-CG1 4.23Å; L47-G63 VanDerWaalsContact CD2-O 3.31Å; L47-G63 WeakPolarHBondContact CD2-O 3.45Å; L47-L65 HydrophobicContact CD1-CB 3.73Å; L47-L65 HydrophobicContact CD1-CD1 3.78Å; L47-L65 HydrophobicContact CD1-CG 4.28Å
48H96.1Very high96.3Very high95 Ų9550.4 Ų50.444%0.4431%0.309SS..Hα-helixtrans-64.4-46175.8-63.990.6000111.2A44 P45 A46 I50 A51 D52A44-H48 PolarHBondContact O-N 3.47Å; A44-H48 PolarHBondContact O-ND1 3.35Å; P45-H48 PolarHBondContact O-N 3.2Å; A46-H48 VanDerWaalsContact C-N 3.33Å; H48-I50 VanDerWaalsContact C-N 3.28Å; H48-I50 PolarHBondContact O-N 3.45Å; H48-A51 WeakPolarHBondContact O-CB 3.33Å; H48-A51 PolarHBondContact O-N 3.48Å; H48-D52 PolarHBondContact O-N 3.27Å
49A97.7Very high96.4Very high26 Ų2649.6 Ų49.622%0.21531%0.306CS..Hα-helixtrans-58.4-39.7176.100000112.4P45 A46 D52 H53 W83 L87P45-A49 PolarHBondContact O-N 3.1Å; A46-A49 PolarHBondContact O-N 3.49Å; A49-D52 PolarHBondContact O-N 3.34Å; A49-H53 WeakPolarHBondContact O-CB 3.37Å; A49-H53 PolarHBondContact O-N 2.96Å; A49-H53 VanDerWaalsContact O-N 3.08Å; A49-W83 WeakPolarHBondContact O-CH2 3.46Å; A49-L87 HydrophobicContact CB-CD1 4.16Å; A49-L87 HydrophobicContact CB-CD2 3.93Å
50I97.6Very high96.3Very high0 Ų049.3 Ų49.30%031%0.306CS..Hα-helixtrans-61.3-47173.4-70.8166.2000110.4V40 A46 L47 H48 D52 H53 F54 M58 L65 L70 W83 L84 L87 L88V40-I50 HydrophobicContact CB-CD1 4.48Å; V40-I50 HydrophobicContact CG1-CD1 3.63Å; A46-I50 VanDerWaalsContact O-CG1 3.25Å; A46-I50 WeakPolarHBondContact O-CG1 3.44Å; A46-I50 PolarHBondContact O-N 3.27Å; L47-I50 PolarHBondContact O-N 3.34Å; H48-I50 VanDerWaalsContact C-N 3.28Å; H48-I50 PolarHBondContact O-N 3.45Å; I50-D52 VanDerWaalsContact C-N 3.34Å; I50-D52 PolarHBondContact O-N 3.46Å; I50-H53 PolarHBondContact O-N 3.02Å; I50-F54 HydrophobicContact CB-CD2 4.5Å; I50-F54 HydrophobicContact CG2-CD2 3.79Å; I50-F54 HydrophobicContact CG2-CE2 4.4Å; I50-F54 WeakPolarHBondContact O-CB 3.42Å; I50-F54 WeakPolarHBondContact O-CD2 3.33Å; I50-F54 PolarHBondContact O-N 2.86Å; I50-M58 HydrophobicContact CG2-CB 4.27Å; I50-M58 HydrophobicContact CG2-CG 4.34Å; I50-L65 HydrophobicContact CG2-CD1 3.88Å; I50-L70 HydrophobicContact CG2-CD1 4.23Å; I50-L70 HydrophobicContact CG2-CD2 4.46Å; I50-W83 HydrophobicContact CG1-CZ3 4.33Å; I50-L84 HydrophobicContact CD1-CD1 3.77Å; I50-L84 HydrophobicContact CG1-CD1 3.8Å; I50-L87 HydrophobicContact CD1-CD2 4.46Å; I50-L87 HydrophobicContact CG1-CD2 3.75Å; I50-L88 HydrophobicContact CD1-CD2 4.38Å
51A96.9Very high96.2Very high10 Ų1054.9 Ų54.98%0.08335%0.353CS..Hα-helixtrans-63.9-38.2178.800000112.7L47 H48 H53 G55 I59L47-A51 PolarHBondContact O-N 3.14Å; H48-A51 WeakPolarHBondContact O-CB 3.33Å; H48-A51 PolarHBondContact O-N 3.48Å; A51-H53 VanDerWaalsContact C-N 3.32Å; A51-H53 PolarHBondContact O-N 3.2Å; A51-G55 CarbonylContact O-C 3.57Å; A51-G55 WeakPolarHBondContact O-CA 3.42Å; A51-G55 PolarHBondContact O-N 3.25Å; A51-I59 HydrophobicContact CB-CD1 3.57Å; A51-I59 HydrophobicContact CB-CG1 3.89Å
52D97.3Very high96.2Very high143 Ų14355.4 Ų55.477%0.76536%0.359SS*.Hα-helixtrans-64.6-36.8176.8-69.7-19.6000111.8H48 A49 I50H48-D52 PolarHBondContact O-N 3.27Å; A49-D52 PolarHBondContact O-N 3.34Å; I50-D52 VanDerWaalsContact C-N 3.34Å; I50-D52 PolarHBondContact O-N 3.46Å
53H97.5Very high96.1Very high80 Ų8053 Ų5337%0.3735%0.348SS..Hα-helixtrans-80.2-48.3-179.5-167.576.2000113.3A49 I50 A51 E80 W83A49-H53 WeakPolarHBondContact O-CB 3.37Å; A49-H53 PolarHBondContact O-N 2.96Å; A49-H53 VanDerWaalsContact O-N 3.08Å; I50-H53 PolarHBondContact O-N 3.02Å; A51-H53 VanDerWaalsContact C-N 3.32Å; A51-H53 PolarHBondContact O-N 3.2Å; H53-E80 IonicContact CD2-OE2 3.24Å; H53-E80 PolarHBondContact CD2-OE2 3.03Å; H53-E80 VanDerWaalsContact CD2-OE2 3.24Å; H53-E80 IonicContact NE2-OE2 3.07Å; H53-E80 PolarHBondContact NE2-OE2 2.87Å; H53-W83 HydrophobicContact CB-CD2 4.41Å; H53-W83 HydrophobicContact CB-CE3 4.26Å; H53-W83 HydrophobicContact CB-CH2 3.36Å; H53-W83 HydrophobicContact CB-CZ2 3.5Å; H53-W83 VanDerWaalsContact CB-CZ2 3.5Å; H53-W83 HydrophobicContact CB-CZ3 3.78Å; H53-W83 AromaticContact CD2-CD2 3.53Å; H53-W83 AromaticContact CD2-CE2 3.87Å; H53-W83 AromaticContact CD2-CE3 3.53Å; H53-W83 AromaticContact CD2-CZ3 3.93Å; H53-W83 AromaticContact CE1-CD1 3.59Å; H53-W83 AromaticContact CE1-CD2 3.78Å; H53-W83 AromaticContact CE1-CE2 3.73Å; H53-W83 AromaticContact CE1-CG 3.73Å; H53-W83 AromaticContact CE1-NE1 3.57Å; H53-W83 AromaticContact CG-CD2 3.7Å; H53-W83 AromaticContact CG-CE2 3.52Å; H53-W83 AromaticContact CG-CE3 3.85Å; H53-W83 AromaticContact CG-CH2 3.75Å; H53-W83 AromaticContact CG-CZ2 3.56Å; H53-W83 AromaticContact CG-CZ3 3.9Å; H53-W83 AromaticContact ND1-CD2 3.86Å; H53-W83 AromaticContact ND1-CE2 3.43Å; H53-W83 AromaticContact ND1-CZ2 3.74Å; H53-W83 AromaticContact ND1-NE1 3.54Å; H53-W83 AromaticContact NE2-CD1 3.92Å; H53-W83 AromaticContact NE2-CD2 3.57Å; H53-W83 AromaticContact NE2-CE2 3.98Å; H53-W83 AromaticContact NE2-CG 3.58Å
54F96.3Very high96.3Very high7 Ų752.7 Ų52.73%0.03133%0.333CS..Hα-helixtrans-94.3-17.5-170.9-72.7-77.9000113.9I50 M58 L70 R73 I74 E80 W83 L84I50-F54 HydrophobicContact CB-CD2 4.5Å; I50-F54 HydrophobicContact CG2-CD2 3.79Å; I50-F54 HydrophobicContact CG2-CE2 4.4Å; I50-F54 WeakPolarHBondContact O-CB 3.42Å; I50-F54 WeakPolarHBondContact O-CD2 3.33Å; I50-F54 PolarHBondContact O-N 2.86Å; F54-M58 HydrophobicContact CB-CG 3.38Å; F54-M58 HydrophobicContact CB-SD 4.15Å; F54-M58 HydrophobicContact CG-CG 4.32Å; F54-L70 HydrophobicContact CD1-CD1 4.34Å; F54-L70 HydrophobicContact CD2-CD1 3.86Å; F54-L70 HydrophobicContact CE1-CD1 4.17Å; F54-L70 HydrophobicContact CE2-CD1 3.69Å; F54-L70 HydrophobicContact CG-CD1 4.19Å; F54-L70 HydrophobicContact CZ-CD1 3.87Å; F54-R73 HydrophobicContact CD1-CG 3.89Å; F54-R73 HydrophobicContact CE1-CG 3.92Å; F54-R73 PolarHBondContact O-NH1 2.78Å; F54-I74 HydrophobicContact CE1-CG2 4.18Å; F54-I74 HydrophobicContact CZ-CG2 3.92Å; F54-E80 HydrophobicContact CE1-CB 3.84Å; F54-E80 VanDerWaalsContact CE1-CD 3.48Å; F54-E80 HydrophobicContact CE1-CG 4.13Å; F54-E80 WeakPolarHBondContact CE1-OE2 3.48Å; F54-E80 HydrophobicContact CZ-CB 4.15Å; F54-E80 WeakPolarHBondContact CZ-OE2 3.19Å; F54-W83 HydrophobicContact CD2-CE3 4.48Å; F54-W83 HydrophobicContact CD2-CZ3 4.07Å; F54-W83 AromaticContact CE2-CE3 3.6Å; F54-W83 HydrophobicContact CE2-CE3 3.6Å; F54-W83 AromaticContact CE2-CZ3 3.52Å; F54-W83 HydrophobicContact CE2-CZ3 3.52Å; F54-W83 HydrophobicContact CZ-CE3 4.11Å; F54-W83 HydrophobicContact CZ-CZ3 4.46Å; F54-L84 HydrophobicContact CE2-CD1 4.34Å
55G95.6Very high96.3Very high25 Ų2552.5 Ų52.526%0.25833%0.33SS..  trans113.8150.2-175.100000113A51 N57 M58A51-G55 CarbonylContact O-C 3.57Å; A51-G55 WeakPolarHBondContact O-CA 3.42Å; A51-G55 PolarHBondContact O-N 3.25Å; G55-N57 PolarHBondContact O-N 3.48Å; G55-N57 PolarHBondContact O-OD1 2.91Å; G55-M58 WeakPolarHBondContact O-CB 3.25Å; G55-M58 WeakPolarHBondContact O-CG 3.41Å; G55-M58 PolarHBondContact O-N 2.87Å
56A93.9Very high96.4Very high84 Ų8451 Ų5169%0.69431%0.313SS*.G310 helixtrans-58.4-22-17900000113.8M58 I59A56-M58 PolarHBondContact O-N 3.24Å; A56-I59 PolarHBondContact O-N 3.15Å; A56-I59 VanDerWaalsContact O-N 3.14Å
57N94.5Very high96.2Very high110 Ų11055.6 Ų55.659%0.58833%0.329SS*.G310 helixtrans-67.7-6.2174.266.6-37.8000113.9G55 I59G55-N57 PolarHBondContact O-N 3.48Å; G55-N57 PolarHBondContact O-OD1 2.91Å; N57-I59 PolarHBondContact O-N 3.26Å
58M96.1Very high95.9Very high5 Ų563.9 Ų63.93%0.02536%0.361CS..G310 helixtrans-73.2-13169.2-69.9-53.2106.800113.3I50 F54 G55 A56 L65 Q66 A69 L70I50-M58 HydrophobicContact CG2-CB 4.27Å; I50-M58 HydrophobicContact CG2-CG 4.34Å; F54-M58 HydrophobicContact CB-CG 3.38Å; F54-M58 HydrophobicContact CB-SD 4.15Å; F54-M58 HydrophobicContact CG-CG 4.32Å; G55-M58 WeakPolarHBondContact O-CB 3.25Å; G55-M58 WeakPolarHBondContact O-CG 3.41Å; G55-M58 PolarHBondContact O-N 2.87Å; A56-M58 PolarHBondContact O-N 3.24Å; M58-L65 HydrophobicContact CB-CD1 4.44Å; M58-Q66 WeakPolarHBondContact O-CB 3.45Å; M58-Q66 PolarHBondContact O-N 3.11Å; M58-A69 HydrophobicContact CE-CB 4.04Å; M58-A69 HydrophobicContact SD-CB 4.33Å; M58-L70 HydrophobicContact SD-CB 4.22Å; M58-L70 HydrophobicContact SD-CD1 4.45Å
59I96.5Very high95.8Very high54 Ų5460.8 Ų60.828%0.27735%0.351SS..BIsolated β-bridgetrans-103.5125.5175.5-61.2177.4000108.6L47 A51 A56 N57L47-I59 HydrophobicContact CD1-CG1 4.16Å; L47-I59 HydrophobicContact CG-CD1 4.19Å; L47-I59 HydrophobicContact CG-CG1 4.23Å; A51-I59 HydrophobicContact CB-CD1 3.57Å; A51-I59 HydrophobicContact CB-CG1 3.89Å; A56-I59 PolarHBondContact O-N 3.15Å; A56-I59 VanDerWaalsContact O-N 3.14Å; N57-I59 PolarHBondContact O-N 3.26Å
60A95.8Very high95.7Very high17 Ų1760.1 Ų60.114%0.1434%0.344CS..  trans-72.9166.8175.200000111.2D62 G63 T64 Q66A60-D62 WeakPolarHBondContact CB-OD1 3.33Å; A60-D62 PolarHBondContact O-N 2.8Å; A60-D62 VanDerWaalsContact O-N 3.15Å; A60-G63 PolarHBondContact O-N 2.96Å; A60-T64 WeakPolarHBondContact CB-O 3.2Å; A60-T64 PolarHBondContact N-O 3.2Å; A60-Q66 HydrophobicContact CB-CG 4.08Å; A60-Q66 VanDerWaalsContact CB-NE2 3.31Å
61A94.7Very high95.5Very high120 Ų12068.5 Ų68.599%0.99238%0.376SS*.THydrogen-bonded Turntrans-61.6-24.2-178.500000113.7G63A61-G63 VanDerWaalsContact C-N 3.28Å
62D95.1Very high95.2Very high114 Ų11473 Ų7361%0.6140%0.395SS*.THydrogen-bonded Turntrans-85.73.8174.966.7-2.3000113.6A60 T64A60-D62 WeakPolarHBondContact CB-OD1 3.33Å; A60-D62 PolarHBondContact O-N 2.8Å; A60-D62 VanDerWaalsContact O-N 3.15Å; D62-T64 VanDerWaalsContact C-N 3.33Å; D62-T64 VanDerWaalsContact OD1-CB 3.31Å; D62-T64 WeakPolarHBondContact OD1-CB 3.2Å; D62-T64 WeakPolarHBondContact OD1-CG2 3.43Å; D62-T64 PolarHBondContact OD1-N 3.46Å; D62-T64 PolarHBondContact OD1-OG1 3.46Å; D62-T64 PolarHBondContact OD2-OG1 2.96Å
63G95.6Very high95Very high24 Ų2471.4 Ų71.425%0.24738%0.378CS..SBendtrans84.4-0.1-178.100000114.5L47 A60 A61L47-G63 VanDerWaalsContact CD2-O 3.31Å; L47-G63 WeakPolarHBondContact CD2-O 3.45Å; A60-G63 PolarHBondContact O-N 2.96Å; A61-G63 VanDerWaalsContact C-N 3.28Å
64T97.1Very high94.8Very high54 Ų5469.1 Ų69.133%0.33137%0.368SS..  trans-85.1158.7-178.867.40000112.7P42 A60 D62 Q66P42-T64 HydrophobicContact CG-CG2 3.89Å; A60-T64 WeakPolarHBondContact CB-O 3.2Å; A60-T64 PolarHBondContact N-O 3.2Å; D62-T64 VanDerWaalsContact C-N 3.33Å; D62-T64 VanDerWaalsContact OD1-CB 3.31Å; D62-T64 WeakPolarHBondContact OD1-CB 3.2Å; D62-T64 WeakPolarHBondContact OD1-CG2 3.43Å; D62-T64 PolarHBondContact OD1-N 3.46Å; D62-T64 PolarHBondContact OD1-OG1 3.46Å; D62-T64 PolarHBondContact OD2-OG1 2.96Å; T64-Q66 PolarHBondContact O-N 3.35Å
65L97.5Very high94.2Very high14 Ų1477.7 Ų77.77%0.07341%0.406CS..BIsolated β-bridgetrans-66.3129.3174.8-178.562.9000111.8V40 L47 I50 M58 R67 L70V40-L65 HydrophobicContact CB-CD2 4.23Å; V40-L65 HydrophobicContact CG2-CD2 3.81Å; L47-L65 HydrophobicContact CD1-CB 3.73Å; L47-L65 HydrophobicContact CD1-CD1 3.78Å; L47-L65 HydrophobicContact CD1-CG 4.28Å; I50-L65 HydrophobicContact CG2-CD1 3.88Å; M58-L65 HydrophobicContact CB-CD1 4.44Å; L65-R67 HydrophobicContact CB-CG 4.34Å; L65-R67 HydrophobicContact CD2-CG 4.08Å; L65-R67 HydrophobicContact CG-CG 4.13Å; L65-R67 PolarHBondContact O-N 2.87Å; L65-L70 HydrophobicContact CD1-CD2 4.16Å; L65-L70 HydrophobicContact CD2-CD2 3.8Å; L65-L70 HydrophobicContact CG-CD2 4.38Å
66Q96.7Very high94Very high82 Ų8280.5 Ų80.538%0.38343%0.427SS..  trans-71.171.6168.6-71.4-74.72.100111M58 A60 T64 R68 A69 L70M58-Q66 WeakPolarHBondContact O-CB 3.45Å; M58-Q66 PolarHBondContact O-N 3.11Å; A60-Q66 HydrophobicContact CB-CG 4.08Å; A60-Q66 VanDerWaalsContact CB-NE2 3.31Å; T64-Q66 PolarHBondContact O-N 3.35Å; Q66-R68 PolarHBondContact O-N 3.5Å; Q66-R68 VanDerWaalsContact O-N 3.14Å; Q66-A69 HydrophobicContact CB-CB 4Å; Q66-A69 PolarHBondContact O-N 3.39Å; Q66-A69 VanDerWaalsContact O-N 3.08Å; Q66-L70 PolarHBondContact O-N 3Å
67R93.6Very high94Very high101 Ų10179.1 Ų79.138%0.38141%0.408SS..Hα-helixtrans-56.3-35.2-172.4-67-175.9-174.5-80.3-7.2113.7R37 L65 R71R37-R67 VanDerWaalsContact CA-NH2 3.28Å; R37-R67 PolarHBondContact O-NH2 3.24Å; L65-R67 HydrophobicContact CB-CG 4.34Å; L65-R67 HydrophobicContact CD2-CG 4.08Å; L65-R67 HydrophobicContact CG-CG 4.13Å; L65-R67 PolarHBondContact O-N 2.87Å; R67-R71 VanDerWaalsContact O-CB 3.28Å; R67-R71 WeakPolarHBondContact O-CB 3.43Å; R67-R71 PolarHBondContact O-N 2.84Å
68R91.6Very high93.9Very high177 Ų17778.3 Ų78.367%0.66841%0.409SS*.Hα-helixtrans-65.9-49.7176.9-174173.674.6101-10111.1Q66 L70 R71 E72Q66-R68 PolarHBondContact O-N 3.5Å; Q66-R68 VanDerWaalsContact O-N 3.14Å; R68-L70 PolarHBondContact O-N 2.94Å; R68-R71 PolarHBondContact O-N 3.3Å; R68-E72 WeakPolarHBondContact CG-OE1 3.45Å; R68-E72 IonicContact CZ-OE1 3.8Å; R68-E72 IonicContact NE-OE1 3.44Å; R68-E72 IonicContact NH1-OE1 3.2Å; R68-E72 PolarHBondContact NH1-OE1 3.45Å; R68-E72 WeakPolarHBondContact O-CG 3.41Å; R68-E72 PolarHBondContact O-N 3.09Å
69A94.5Very high93.9Very high30 Ų3085.3 Ų85.325%0.24844%0.441CS..Hα-helixtrans-62.6-42.7178.500000111.6M58 Q66 R71 E72 R73M58-A69 HydrophobicContact CE-CB 4.04Å; M58-A69 HydrophobicContact SD-CB 4.33Å; Q66-A69 HydrophobicContact CB-CB 4Å; Q66-A69 PolarHBondContact O-N 3.39Å; Q66-A69 VanDerWaalsContact O-N 3.08Å; A69-R71 PolarHBondContact O-N 2.68Å; A69-E72 PolarHBondContact O-N 3.34Å; A69-R73 WeakPolarHBondContact O-CB 3.17Å; A69-R73 PolarHBondContact O-N 2.89Å
70L95.6Very high93.9Very high12 Ų1283.8 Ų83.86%0.06343%0.433CS..Hα-helixtrans-60.5-45.8174.9-17864.7000111.2I50 F54 M58 L65 Q66 R68 R73 I74 L84I50-L70 HydrophobicContact CG2-CD1 4.23Å; I50-L70 HydrophobicContact CG2-CD2 4.46Å; F54-L70 HydrophobicContact CD1-CD1 4.34Å; F54-L70 HydrophobicContact CD2-CD1 3.86Å; F54-L70 HydrophobicContact CE1-CD1 4.17Å; F54-L70 HydrophobicContact CE2-CD1 3.69Å; F54-L70 HydrophobicContact CG-CD1 4.19Å; F54-L70 HydrophobicContact CZ-CD1 3.87Å; M58-L70 HydrophobicContact SD-CB 4.22Å; M58-L70 HydrophobicContact SD-CD1 4.45Å; L65-L70 HydrophobicContact CD1-CD2 4.16Å; L65-L70 HydrophobicContact CD2-CD2 3.8Å; L65-L70 HydrophobicContact CG-CD2 4.38Å; Q66-L70 PolarHBondContact O-N 3Å; R68-L70 PolarHBondContact O-N 2.94Å; L70-R73 PolarHBondContact O-N 2.95Å; L70-I74 HydrophobicContact CD1-CG2 4.07Å; L70-I74 HydrophobicContact CG-CG2 4.46Å; L70-I74 WeakPolarHBondContact O-CG1 3.34Å; L70-I74 PolarHBondContact O-N 3.44Å; L70-L84 HydrophobicContact CD1-CD2 4.27Å; L70-L84 HydrophobicContact CD2-CD1 4.15Å; L70-L84 HydrophobicContact CD2-CD2 3.82Å; L70-L84 HydrophobicContact CG-CD2 4.13Å
71R92.6Very high93.8Very high176 Ų17688 Ų8866%0.66445%0.448SS*.Hα-helixtrans-59.8-47.9178.2-175.9-176-65.5158.8-1.6111.6R67 R68 A69 R73 I74 F75R67-R71 VanDerWaalsContact O-CB 3.28Å; R67-R71 WeakPolarHBondContact O-CB 3.43Å; R67-R71 PolarHBondContact O-N 2.84Å; R68-R71 PolarHBondContact O-N 3.3Å; A69-R71 PolarHBondContact O-N 2.68Å; R71-R73 VanDerWaalsContact C-N 3.26Å; R71-R73 PolarHBondContact O-N 3.22Å; R71-I74 WeakPolarHBondContact O-CG1 3.39Å; R71-I74 PolarHBondContact O-N 3.1Å; R71-F75 WeakPolarHBondContact O-CB 3.28Å; R71-F75 PolarHBondContact O-N 3.43Å
72E91.2Very high93.7Very high105 Ų10587.3 Ų87.349%0.49143%0.428SS..Hα-helixtrans-57-43.2177.4-73168.1-171.200110.6R68 A69 A76R68-E72 WeakPolarHBondContact CG-OE1 3.45Å; R68-E72 IonicContact CZ-OE1 3.8Å; R68-E72 IonicContact NE-OE1 3.44Å; R68-E72 IonicContact NH1-OE1 3.2Å; R68-E72 PolarHBondContact NH1-OE1 3.45Å; R68-E72 WeakPolarHBondContact O-CG 3.41Å; R68-E72 PolarHBondContact O-N 3.09Å; A69-E72 PolarHBondContact O-N 3.34Å; E72-A76 PolarHBondContact O-N 3.29Å
73R92.7Very high93.8Very high108 Ų10885.7 Ų85.741%0.40841%0.413SS..Hα-helixtrans-67.1-49.6-179.9-172.5140177.8173.4-5.2113.7F54 A69 L70 R71 F75 A76 N77 E80F54-R73 HydrophobicContact CD1-CG 3.89Å; F54-R73 HydrophobicContact CE1-CG 3.92Å; F54-R73 PolarHBondContact O-NH1 2.78Å; A69-R73 WeakPolarHBondContact O-CB 3.17Å; A69-R73 PolarHBondContact O-N 2.89Å; L70-R73 PolarHBondContact O-N 2.95Å; R71-R73 VanDerWaalsContact C-N 3.26Å; R71-R73 PolarHBondContact O-N 3.22Å; R73-F75 VanDerWaalsContact C-N 3.26Å; R73-F75 PolarHBondContact O-N 2.93Å; R73-A76 PolarHBondContact O-N 3.5Å; R73-N77 PolarHBondContact O-N 3.05Å; R73-E80 IonicContact CZ-OE1 2.8Å; R73-E80 IonicContact NE-OE1 3.46Å; R73-E80 PolarHBondContact NE-OE1 2.66Å; R73-E80 IonicContact NH2-OE1 3.56Å; R73-E80 PolarHBondContact NH2-OE1 2.67Å
74I92.9Very high93.9Very high32 Ų3285 Ų8516%0.16440%0.403CS..Hα-helixtrans-72-21.7179.969.2-179000112.8F54 L70 R71 E80 K81 L84F54-I74 HydrophobicContact CE1-CG2 4.18Å; F54-I74 HydrophobicContact CZ-CG2 3.92Å; L70-I74 HydrophobicContact CD1-CG2 4.07Å; L70-I74 HydrophobicContact CG-CG2 4.46Å; L70-I74 WeakPolarHBondContact O-CG1 3.34Å; L70-I74 PolarHBondContact O-N 3.44Å; R71-I74 WeakPolarHBondContact O-CG1 3.39Å; R71-I74 PolarHBondContact O-N 3.1Å; I74-E80 HydrophobicContact CG2-CB 4.41Å; I74-K81 HydrophobicContact CB-CB 4.05Å; I74-L84 HydrophobicContact CD1-CD2 3.69Å; I74-L84 HydrophobicContact CG2-CB 4.42Å; I74-L84 HydrophobicContact CG2-CD2 3.92Å
75F85.2Confident93.7Very high187 Ų18784.8 Ų84.882%0.8240%0.4SS*.Hα-helixtrans-74.4-36.3174.1-167.9-92.4000111.5R71 R73R71-F75 WeakPolarHBondContact O-CB 3.28Å; R71-F75 PolarHBondContact O-N 3.43Å; R73-F75 VanDerWaalsContact C-N 3.26Å; R73-F75 PolarHBondContact O-N 2.93Å
76A91.6Very high93.6Very high84 Ų8487.5 Ų87.569%0.69443%0.425SS*.Hα-helixtrans-76.1-22.6177.400000113.6E72 R73E72-A76 PolarHBondContact O-N 3.29Å; R73-A76 PolarHBondContact O-N 3.5Å
77N93.2Very high93.6Very high56 Ų5685.6 Ų85.630%0.29942%0.417SS..  trans-133.7108.9-176.2-172.9-18.6000112.3R73 E79 E80 K81R73-N77 PolarHBondContact O-N 3.05Å; N77-E79 VanDerWaalsContact C-N 3.3Å; N77-E79 PolarHBondContact O-N 2.92Å; N77-E79 WeakPolarHBondContact OD1-CB 3.5Å; N77-E79 PolarHBondContact OD1-N 3.24Å; N77-E80 HydrophobicContact CB-CB 3.95Å; N77-E80 HydrophobicContact CB-CG 3.63Å; N77-E80 VanDerWaalsContact CG-CG 3.42Å; N77-E80 VanDerWaalsContact ND2-CG 3.31Å; N77-E80 WeakPolarHBondContact ND2-CG 3.47Å; N77-E80 WeakPolarHBondContact O-CB 3.44Å; N77-E80 PolarHBondContact O-N 2.71Å; N77-K81 PolarHBondContact O-N 3.48Å; N77-K81 VanDerWaalsContact O-N 3.14Å
78P91.7Very high93.7Very high93 Ų9381.9 Ų81.960%0.60441%0.405SS*.Hα-helixtrans-59.6-32176.6-26.335.7000115.2K81 N82P78-K81 WeakPolarHBondContact O-CB 3.17Å; P78-K81 PolarHBondContact O-N 3.26Å; P78-N82 VanDerWaalsContact O-CG 3.22Å; P78-N82 PolarHBondContact O-N 3.42Å; P78-N82 PolarHBondContact O-ND2 3.02Å
79E96.2Very high93.7Very high151 Ų15177 Ų7771%0.70639%0.39SS*.Hα-helixtrans-67.6-42.1178.6-63.2-177168.400111N77 K81 N82 W83N77-E79 VanDerWaalsContact C-N 3.3Å; N77-E79 PolarHBondContact O-N 2.92Å; N77-E79 WeakPolarHBondContact OD1-CB 3.5Å; N77-E79 PolarHBondContact OD1-N 3.24Å; E79-K81 VanDerWaalsContact C-N 3.34Å; E79-K81 PolarHBondContact O-N 3Å; E79-N82 WeakPolarHBondContact O-CB 3.49Å; E79-N82 PolarHBondContact O-N 3.49Å; E79-N82 VanDerWaalsContact O-N 3.15Å; E79-W83 PolarHBondContact O-N 3.36Å
80E96.3Very high93.7Very high22 Ų2279.2 Ų79.210%0.10340%0.401CS..Hα-helixtrans-63.6-39.7175.7-66.2-83.5-151.600111.5H53 F54 R73 I74 N77 N82 W83 L84H53-E80 IonicContact CD2-OE2 3.24Å; H53-E80 PolarHBondContact CD2-OE2 3.03Å; H53-E80 VanDerWaalsContact CD2-OE2 3.24Å; H53-E80 IonicContact NE2-OE2 3.07Å; H53-E80 PolarHBondContact NE2-OE2 2.87Å; F54-E80 HydrophobicContact CE1-CB 3.84Å; F54-E80 VanDerWaalsContact CE1-CD 3.48Å; F54-E80 HydrophobicContact CE1-CG 4.13Å; F54-E80 WeakPolarHBondContact CE1-OE2 3.48Å; F54-E80 HydrophobicContact CZ-CB 4.15Å; F54-E80 WeakPolarHBondContact CZ-OE2 3.19Å; R73-E80 IonicContact CZ-OE1 2.8Å; R73-E80 IonicContact NE-OE1 3.46Å; R73-E80 PolarHBondContact NE-OE1 2.66Å; R73-E80 IonicContact NH2-OE1 3.56Å; R73-E80 PolarHBondContact NH2-OE1 2.67Å; I74-E80 HydrophobicContact CG2-CB 4.41Å; N77-E80 HydrophobicContact CB-CB 3.95Å; N77-E80 HydrophobicContact CB-CG 3.63Å; N77-E80 VanDerWaalsContact CG-CG 3.42Å; N77-E80 VanDerWaalsContact ND2-CG 3.31Å; N77-E80 WeakPolarHBondContact ND2-CG 3.47Å; N77-E80 WeakPolarHBondContact O-CB 3.44Å; N77-E80 PolarHBondContact O-N 2.71Å; E80-N82 VanDerWaalsContact C-N 3.33Å; E80-N82 PolarHBondContact O-N 3.11Å; E80-W83 PolarHBondContact O-N 3.07Å; E80-L84 WeakPolarHBondContact O-CB 3.32Å; E80-L84 PolarHBondContact O-N 3.49Å
81K93.8Very high93.8Very high107 Ų10781.4 Ų81.447%0.46541%0.413SS..Hα-helixtrans-60.4-43.8172.1-174.7-179.1176.6-177.80111.5I74 N77 P78 E79 L84 N85I74-K81 HydrophobicContact CB-CB 4.05Å; N77-K81 PolarHBondContact O-N 3.48Å; N77-K81 VanDerWaalsContact O-N 3.14Å; P78-K81 WeakPolarHBondContact O-CB 3.17Å; P78-K81 PolarHBondContact O-N 3.26Å; E79-K81 VanDerWaalsContact C-N 3.34Å; E79-K81 PolarHBondContact O-N 3Å; K81-L84 PolarHBondContact O-N 3.5Å; K81-N85 WeakPolarHBondContact O-CB 3.43Å; K81-N85 PolarHBondContact O-N 3.47Å; K81-N85 PolarHBondContact O-ND2 2.91Å
82N93.9Very high93.9Very high104 Ų10474.5 Ų74.556%0.55639%0.388SS*.Hα-helixtrans-66.4-42.2179.3-70.5-21.5000111.7P78 E79 E80 N85 A86P78-N82 VanDerWaalsContact O-CG 3.22Å; P78-N82 PolarHBondContact O-N 3.42Å; P78-N82 PolarHBondContact O-ND2 3.02Å; E79-N82 WeakPolarHBondContact O-CB 3.49Å; E79-N82 PolarHBondContact O-N 3.49Å; E79-N82 VanDerWaalsContact O-N 3.15Å; E80-N82 VanDerWaalsContact C-N 3.33Å; E80-N82 PolarHBondContact O-N 3.11Å; N82-N85 PolarHBondContact O-N 3.49Å; N82-A86 WeakPolarHBondContact O-CB 3.48Å; N82-A86 PolarHBondContact O-N 2.98Å
83W97.6Very high94Very high80 Ų8074 Ų7430%0.30339%0.386SS..Hα-helixtrans-59.3-49174.9-178.491.6000111.4A49 I50 H53 F54 E79 E80 N85 A86 L87A49-W83 WeakPolarHBondContact O-CH2 3.46Å; I50-W83 HydrophobicContact CG1-CZ3 4.33Å; H53-W83 HydrophobicContact CB-CD2 4.41Å; H53-W83 HydrophobicContact CB-CE3 4.26Å; H53-W83 HydrophobicContact CB-CH2 3.36Å; H53-W83 HydrophobicContact CB-CZ2 3.5Å; H53-W83 VanDerWaalsContact CB-CZ2 3.5Å; H53-W83 HydrophobicContact CB-CZ3 3.78Å; H53-W83 AromaticContact CD2-CD2 3.53Å; H53-W83 AromaticContact CD2-CE2 3.87Å; H53-W83 AromaticContact CD2-CE3 3.53Å; H53-W83 AromaticContact CD2-CZ3 3.93Å; H53-W83 AromaticContact CE1-CD1 3.59Å; H53-W83 AromaticContact CE1-CD2 3.78Å; H53-W83 AromaticContact CE1-CE2 3.73Å; H53-W83 AromaticContact CE1-CG 3.73Å; H53-W83 AromaticContact CE1-NE1 3.57Å; H53-W83 AromaticContact CG-CD2 3.7Å; H53-W83 AromaticContact CG-CE2 3.52Å; H53-W83 AromaticContact CG-CE3 3.85Å; H53-W83 AromaticContact CG-CH2 3.75Å; H53-W83 AromaticContact CG-CZ2 3.56Å; H53-W83 AromaticContact CG-CZ3 3.9Å; H53-W83 AromaticContact ND1-CD2 3.86Å; H53-W83 AromaticContact ND1-CE2 3.43Å; H53-W83 AromaticContact ND1-CZ2 3.74Å; H53-W83 AromaticContact ND1-NE1 3.54Å; H53-W83 AromaticContact NE2-CD1 3.92Å; H53-W83 AromaticContact NE2-CD2 3.57Å; H53-W83 AromaticContact NE2-CE2 3.98Å; H53-W83 AromaticContact NE2-CG 3.58Å; F54-W83 HydrophobicContact CD2-CE3 4.48Å; F54-W83 HydrophobicContact CD2-CZ3 4.07Å; F54-W83 AromaticContact CE2-CE3 3.6Å; F54-W83 HydrophobicContact CE2-CE3 3.6Å; F54-W83 AromaticContact CE2-CZ3 3.52Å; F54-W83 HydrophobicContact CE2-CZ3 3.52Å; F54-W83 HydrophobicContact CZ-CE3 4.11Å; F54-W83 HydrophobicContact CZ-CZ3 4.46Å; E79-W83 PolarHBondContact O-N 3.36Å; E80-W83 PolarHBondContact O-N 3.07Å; W83-N85 VanDerWaalsContact C-N 3.33Å; W83-N85 PolarHBondContact O-N 2.98Å; W83-A86 PolarHBondContact O-N 3.15Å; W83-A86 VanDerWaalsContact O-N 3.17Å; W83-L87 HydrophobicContact CH2-CD2 3.62Å; W83-L87 HydrophobicContact CZ2-CD2 4.43Å; W83-L87 HydrophobicContact CZ3-CD2 3.84Å; W83-L87 PolarHBondContact O-N 2.91Å
84L96.5Very high94.2Very high9 Ų975.6 Ų75.65%0.04740%0.398CS..Hα-helixtrans-60.2-44.2179.1-177.369.2000111.4I50 F54 L70 I74 E80 K81 A86 L87 L88I50-L84 HydrophobicContact CD1-CD1 3.77Å; I50-L84 HydrophobicContact CG1-CD1 3.8Å; F54-L84 HydrophobicContact CE2-CD1 4.34Å; L70-L84 HydrophobicContact CD1-CD2 4.27Å; L70-L84 HydrophobicContact CD2-CD1 4.15Å; L70-L84 HydrophobicContact CD2-CD2 3.82Å; L70-L84 HydrophobicContact CG-CD2 4.13Å; I74-L84 HydrophobicContact CD1-CD2 3.69Å; I74-L84 HydrophobicContact CG2-CB 4.42Å; I74-L84 HydrophobicContact CG2-CD2 3.92Å; E80-L84 WeakPolarHBondContact O-CB 3.32Å; E80-L84 PolarHBondContact O-N 3.49Å; K81-L84 PolarHBondContact O-N 3.5Å; L84-A86 PolarHBondContact O-N 3.2Å; L84-L87 PolarHBondContact O-N 2.95Å; L84-L88 HydrophobicContact CD1-CD1 3.79Å; L84-L88 HydrophobicContact CD1-CG 4.1Å; L84-L88 HydrophobicContact CD2-CD1 4.45Å; L84-L88 HydrophobicContact CG-CD1 3.9Å; L84-L88 HydrophobicContact CG-CG 4.37Å; L84-L88 WeakPolarHBondContact O-CB 3.42Å; L84-L88 WeakPolarHBondContact O-CG 3.48Å; L84-L88 PolarHBondContact O-N 3.49Å
85N93.1Very high94.4Very high50 Ų5076.9 Ų76.927%0.26740%0.404SS..Hα-helixtrans-62.5-42176.8-73.7-14.6000111.9K81 N82 W83 L87 L88 H89K81-N85 WeakPolarHBondContact O-CB 3.43Å; K81-N85 PolarHBondContact O-N 3.47Å; K81-N85 PolarHBondContact O-ND2 2.91Å; N82-N85 PolarHBondContact O-N 3.49Å; W83-N85 VanDerWaalsContact C-N 3.33Å; W83-N85 PolarHBondContact O-N 2.98Å; N85-L87 VanDerWaalsContact C-N 3.29Å; N85-L87 PolarHBondContact O-N 3.12Å; N85-L88 PolarHBondContact O-N 3.41Å; N85-H89 WeakPolarHBondContact O-CB 3.23Å; N85-H89 PolarHBondContact O-CD2 3.31Å; N85-H89 PolarHBondContact O-N 3.44Å
86A95.8Very high94.9Very high71 Ų7168.5 Ų68.559%0.58737%0.368SS*.Hα-helixtrans-62.9-36.2177.700000112.3N82 W83 L84 P90N82-A86 WeakPolarHBondContact O-CB 3.48Å; N82-A86 PolarHBondContact O-N 2.98Å; W83-A86 PolarHBondContact O-N 3.15Å; W83-A86 VanDerWaalsContact O-N 3.17Å; L84-A86 PolarHBondContact O-N 3.2Å; A86-P90 VanDerWaalsContact O-CD 3.22Å; A86-P90 WeakPolarHBondContact O-CD 3.38Å
87L97.1Very high95.1Very high43 Ų4368.8 Ų68.823%0.22535%0.354CS..Hα-helixtrans-68.2-50.1173.2175.965.7000112A49 I50 W83 L84 N85A49-L87 HydrophobicContact CB-CD1 4.16Å; A49-L87 HydrophobicContact CB-CD2 3.93Å; I50-L87 HydrophobicContact CD1-CD2 4.46Å; I50-L87 HydrophobicContact CG1-CD2 3.75Å; W83-L87 HydrophobicContact CH2-CD2 3.62Å; W83-L87 HydrophobicContact CZ2-CD2 4.43Å; W83-L87 HydrophobicContact CZ3-CD2 3.84Å; W83-L87 PolarHBondContact O-N 2.91Å; L84-L87 PolarHBondContact O-N 2.95Å; N85-L87 VanDerWaalsContact C-N 3.29Å; N85-L87 PolarHBondContact O-N 3.12Å
88L95.6Very high95.2Very high22 Ų2270.3 Ų70.312%0.11536%0.36CS..Hα-helixtrans-83.6-33.3-167.8-64.9-175.5000113.9V39 V40 A46 I50 L84 N85 L91 I92V39-L88 HydrophobicContact CG2-CD2 4.26Å; V40-L88 HydrophobicContact CG1-CD2 3.58Å; A46-L88 HydrophobicContact CB-CD2 4.15Å; I50-L88 HydrophobicContact CD1-CD2 4.38Å; L84-L88 HydrophobicContact CD1-CD1 3.79Å; L84-L88 HydrophobicContact CD1-CG 4.1Å; L84-L88 HydrophobicContact CD2-CD1 4.45Å; L84-L88 HydrophobicContact CG-CD1 3.9Å; L84-L88 HydrophobicContact CG-CG 4.37Å; L84-L88 WeakPolarHBondContact O-CB 3.42Å; L84-L88 WeakPolarHBondContact O-CG 3.48Å; L84-L88 PolarHBondContact O-N 3.49Å; N85-L88 PolarHBondContact O-N 3.41Å; L88-L91 PolarHBondContact O-N 3.16Å; L88-I92 HydrophobicContact CB-CD1 4.04Å; L88-I92 VanDerWaalsContact O-CG1 3.31Å; L88-I92 WeakPolarHBondContact O-CG1 3.26Å; L88-I92 PolarHBondContact O-N 3.38Å
89H92.1Very high95.5Very high76 Ų7668 Ų6835%0.35234%0.341SS..Hα-helixtrans-57.8-45.3-174.6-74.5-179.7000113.9N85 L91 Q93N85-H89 WeakPolarHBondContact O-CB 3.23Å; N85-H89 PolarHBondContact O-CD2 3.31Å; N85-H89 PolarHBondContact O-N 3.44Å; H89-L91 VanDerWaalsContact C-N 3.35Å; H89-L91 PolarHBondContact O-N 3.35Å; H89-Q93 WeakPolarHBondContact O-CB 3.26Å; H89-Q93 VanDerWaalsContact O-CG 3.26Å; H89-Q93 WeakPolarHBondContact O-CG 3.42Å; H89-Q93 PolarHBondContact O-N 2.88Å
90P94.5Very high95.5Very high75 Ų7561.4 Ų61.449%0.48731%0.31SS..Hα-helixtrans-62.8-40.9177.1-23.335.2000112.5A86 Q93 Q94A86-P90 VanDerWaalsContact O-CD 3.22Å; A86-P90 WeakPolarHBondContact O-CD 3.38Å; P90-Q93 PolarHBondContact O-N 3.42Å; P90-Q94 WeakPolarHBondContact O-CB 3.27Å; P90-Q94 PolarHBondContact O-N 3.35Å
91L96.4Very high95.5Very high59 Ų5965.9 Ų65.931%0.30933%0.331SS..Hα-helixtrans-66.6-45.5-179-59.9176.4000111.6V39 A46 L88 H89 Q93 Q94 E95V39-L91 HydrophobicContact CB-CB 4.35Å; V39-L91 HydrophobicContact CG1-CB 4.27Å; A46-L91 HydrophobicContact CB-CD1 3.49Å; A46-L91 VanDerWaalsContact CB-CD1 3.49Å; L88-L91 PolarHBondContact O-N 3.16Å; H89-L91 VanDerWaalsContact C-N 3.35Å; H89-L91 PolarHBondContact O-N 3.35Å; L91-Q93 VanDerWaalsContact C-N 3.3Å; L91-Q93 PolarHBondContact O-N 2.92Å; L91-Q94 PolarHBondContact O-N 3.3Å; L91-E95 WeakPolarHBondContact O-CB 3.25Å; L91-E95 PolarHBondContact O-N 3.14Å
92I95.2Very high95.6Very high30 Ų3066.6 Ų66.615%0.15434%0.336CS..Hα-helixtrans-61.1-42175.8-67166.8000110.2I35 A36 V39 L88 T96I35-I92 HydrophobicContact CG2-CB 4.23Å; I35-I92 HydrophobicContact CG2-CG1 4.33Å; I35-I92 HydrophobicContact CG2-CG2 3.92Å; A36-I92 HydrophobicContact CB-CD1 3.76Å; A36-I92 HydrophobicContact CB-CG1 4.34Å; V39-I92 HydrophobicContact CG2-CG1 3.96Å; L88-I92 HydrophobicContact CB-CD1 4.04Å; L88-I92 VanDerWaalsContact O-CG1 3.31Å; L88-I92 WeakPolarHBondContact O-CG1 3.26Å; L88-I92 PolarHBondContact O-N 3.38Å; I92-T96 VanDerWaalsContact O-CB 3.24Å; I92-T96 WeakPolarHBondContact O-CB 3.38Å; I92-T96 PolarHBondContact O-N 2.98Å; I92-T96 PolarHBondContact O-OG1 3.32Å
93Q93.4Very high95.7Very high95 Ų9562 Ų6244%0.44431%0.313SS..Hα-helixtrans-65.1-44.1177.9-76-179.861.200112.3H89 P90 L91 T96 Q97H89-Q93 WeakPolarHBondContact O-CB 3.26Å; H89-Q93 VanDerWaalsContact O-CG 3.26Å; H89-Q93 WeakPolarHBondContact O-CG 3.42Å; H89-Q93 PolarHBondContact O-N 2.88Å; P90-Q93 PolarHBondContact O-N 3.42Å; L91-Q93 VanDerWaalsContact C-N 3.3Å; L91-Q93 PolarHBondContact O-N 2.92Å; Q93-T96 PolarHBondContact O-N 2.74Å; Q93-Q97 WeakPolarHBondContact O-CB 3.48Å; Q93-Q97 PolarHBondContact O-N 2.95Å
94Q95.7Very high95.7Very high141 Ų14164.4 Ų64.466%0.65934%0.336SS*.Hα-helixtrans-61.2-48177.3179.8178.9-22.400111.2P90 L91 Q97 H98P90-Q94 WeakPolarHBondContact O-CB 3.27Å; P90-Q94 PolarHBondContact O-N 3.35Å; L91-Q94 PolarHBondContact O-N 3.3Å; Q94-Q97 PolarHBondContact O-N 3.41Å; Q94-H98 WeakPolarHBondContact O-CB 3.22Å; Q94-H98 PolarHBondContact O-N 3.44Å
95E97.1Very high95.7Very high60 Ų6064.4 Ų64.428%0.2834%0.337SS..Hα-helixtrans-66.8-40.1179.6-177.854.4-150.800111.8I35 V39 L91 Q97 H98 Q99I35-E95 HydrophobicContact CG1-CG 4.25Å; I35-E95 HydrophobicContact CG2-CB 3.75Å; I35-E95 HydrophobicContact CG2-CG 3.72Å; V39-E95 HydrophobicContact CG1-CB 4.27Å; L91-E95 WeakPolarHBondContact O-CB 3.25Å; L91-E95 PolarHBondContact O-N 3.14Å; E95-Q97 VanDerWaalsContact C-N 3.32Å; E95-Q97 PolarHBondContact O-N 3.22Å; E95-H98 WeakPolarHBondContact O-CB 3.48Å; E95-H98 PolarHBondContact O-N 3.34Å; E95-Q99 WeakPolarHBondContact O-CG 3.37Å; E95-Q99 PolarHBondContact O-N 3Å; E95-Q99 VanDerWaalsContact OE1-CG 3.32Å; E95-Q99 WeakPolarHBondContact OE1-CG 3.5Å; E95-Q99 PolarHBondContact OE1-NE2 3.4Å
96T96.4Very high95.9Very high10 Ų1065.9 Ų65.96%0.06135%0.349CS..Hα-helixtrans-56.7-48.4172.5-60.40000110.5I30 I35 I92 Q93 H98 Q99 I100 W110I30-T96 HydrophobicContact CG2-CG2 4.32Å; I35-T96 WeakPolarHBondContact CD1-OG1 3.38Å; I92-T96 VanDerWaalsContact O-CB 3.24Å; I92-T96 WeakPolarHBondContact O-CB 3.38Å; I92-T96 PolarHBondContact O-N 2.98Å; I92-T96 PolarHBondContact O-OG1 3.32Å; Q93-T96 PolarHBondContact O-N 2.74Å; T96-H98 VanDerWaalsContact C-N 3.32Å; T96-H98 PolarHBondContact O-N 3.3Å; T96-Q99 PolarHBondContact O-N 3.24Å; T96-I100 HydrophobicContact CG2-CD1 3.77Å; T96-I100 HydrophobicContact CG2-CG1 4.43Å; T96-I100 WeakPolarHBondContact O-CB 3.41Å; T96-I100 WeakPolarHBondContact O-CG1 3.4Å; T96-I100 PolarHBondContact O-N 2.89Å; T96-W110 HydrophobicContact CG2-CZ2 4.32Å
97Q95.6Very high96Very high90 Ų9062.5 Ų62.542%0.42132%0.321SS..Hα-helixtrans-65.9-36.6180-175.456.169.200112.1Q93 Q94 E95 I100 Q101Q93-Q97 WeakPolarHBondContact O-CB 3.48Å; Q93-Q97 PolarHBondContact O-N 2.95Å; Q94-Q97 PolarHBondContact O-N 3.41Å; E95-Q97 VanDerWaalsContact C-N 3.32Å; E95-Q97 PolarHBondContact O-N 3.22Å; Q97-I100 PolarHBondContact O-N 3.16Å; Q97-Q101 VanDerWaalsContact O-CG 3.28Å; Q97-Q101 WeakPolarHBondContact O-CG 3.42Å; Q97-Q101 PolarHBondContact O-N 3.11Å
98H96.6Very high96.1Very high89 Ų8960.4 Ų60.441%0.41231%0.311SS..Hα-helixtrans-62.1-51.9174.8-179.265.9000111Q94 E95 T96 I100 Q101 Q102Q94-H98 WeakPolarHBondContact O-CB 3.22Å; Q94-H98 PolarHBondContact O-N 3.44Å; E95-H98 WeakPolarHBondContact O-CB 3.48Å; E95-H98 PolarHBondContact O-N 3.34Å; T96-H98 VanDerWaalsContact C-N 3.32Å; T96-H98 PolarHBondContact O-N 3.3Å; H98-I100 VanDerWaalsContact C-N 3.31Å; H98-I100 PolarHBondContact O-N 2.88Å; H98-Q101 WeakPolarHBondContact O-CA 3.33Å; H98-Q101 WeakPolarHBondContact O-CB 3.32Å; H98-Q101 PolarHBondContact O-N 3.48Å; H98-Q102 WeakPolarHBondContact O-CG 3.44Å; H98-Q102 PolarHBondContact O-N 2.86Å; H98-Q102 VanDerWaalsContact O-N 3.09Å
99Q97.4Very high96.2Very high45 Ų4559.4 Ų59.421%0.2131%0.305CS..Hα-helixtrans-61.5-39.2177-66.6-174.723.400111.8I30 E95 T96 Q101 Q102 A103I30-Q99 HydrophobicContact CD1-CB 3.69Å; I30-Q99 HydrophobicContact CG1-CB 4.12Å; I30-Q99 HydrophobicContact CG2-CB 4.14Å; E95-Q99 WeakPolarHBondContact O-CG 3.37Å; E95-Q99 PolarHBondContact O-N 3Å; E95-Q99 VanDerWaalsContact OE1-CG 3.32Å; E95-Q99 WeakPolarHBondContact OE1-CG 3.5Å; E95-Q99 PolarHBondContact OE1-NE2 3.4Å; T96-Q99 PolarHBondContact O-N 3.24Å; Q99-Q101 PolarHBondContact O-N 2.82Å; Q99-Q102 PolarHBondContact O-N 3.01Å; Q99-A103 PolarHBondContact O-N 3.34Å
100I96.4Very high96.5Very high12 Ų1256.6 Ų56.66%0.06229%0.291CS..Hα-helixtrans-60.8-32175-73.9170.3000111.3R2 I4 I30 T96 Q97 H98 V108R2-I100 WeakPolarHBondContact CD-O 3.27Å; R2-I100 PolarHBondContact NH1-O 3.07Å; I4-I100 HydrophobicContact CD1-CD1 3.99Å; I4-I100 HydrophobicContact CD1-CG2 4.12Å; I4-I100 HydrophobicContact CG1-CG2 4.4Å; I30-I100 VanDerWaalsContact CD1-CA 3.49Å; I30-I100 HydrophobicContact CD1-CB 4.13Å; I30-I100 HydrophobicContact CD1-CG1 3.48Å; I30-I100 VanDerWaalsContact CD1-CG1 3.48Å; I30-I100 VanDerWaalsContact CD1-N 3.26Å; T96-I100 HydrophobicContact CG2-CD1 3.77Å; T96-I100 HydrophobicContact CG2-CG1 4.43Å; T96-I100 WeakPolarHBondContact O-CB 3.41Å; T96-I100 WeakPolarHBondContact O-CG1 3.4Å; T96-I100 PolarHBondContact O-N 2.89Å; Q97-I100 PolarHBondContact O-N 3.16Å; H98-I100 VanDerWaalsContact C-N 3.31Å; H98-I100 PolarHBondContact O-N 2.88Å; I100-V108 HydrophobicContact CG1-CG1 4.31Å
101Q95.1Very high96.7Very high116 Ų11653 Ų5354%0.54227%0.268SS..Hα-helixtrans-79.6-22.8176.2-72.4168.69.900113R2 Q97 H98 Q99R2-Q101 PolarHBondContact NH1-O 2.8Å; R2-Q101 PolarHBondContact NH2-O 3.22Å; R2-Q101 VanDerWaalsContact NH2-O 3.16Å; Q97-Q101 VanDerWaalsContact O-CG 3.28Å; Q97-Q101 WeakPolarHBondContact O-CG 3.42Å; Q97-Q101 PolarHBondContact O-N 3.11Å; H98-Q101 WeakPolarHBondContact O-CA 3.33Å; H98-Q101 WeakPolarHBondContact O-CB 3.32Å; H98-Q101 PolarHBondContact O-N 3.48Å; Q99-Q101 PolarHBondContact O-N 2.82Å
102Q96.3Very high96.7Very high122 Ų12250.4 Ų50.457%0.5726%0.255SS*.Hα-helixtrans-90.9-28.9178.9-63-56.8-40.300114.5R2 H98 Q99 T104R2-Q102 VanDerWaalsContact NH1-C 3.26Å; H98-Q102 WeakPolarHBondContact O-CG 3.44Å; H98-Q102 PolarHBondContact O-N 2.86Å; H98-Q102 VanDerWaalsContact O-N 3.09Å; Q99-Q102 PolarHBondContact O-N 3.01Å; Q102-T104 PolarHBondContact O-N 3.36Å
103A97Very high96.2Very high7 Ų750 Ų506%0.05825%0.254CS..  trans-47.5106.717800000117.9R2 N28 Q99 S105 V108R2-A103 WeakPolarHBondContact CD-O 3.24Å; R2-A103 VanDerWaalsContact CZ-C 3.41Å; R2-A103 PolarHBondContact NE-O 3.03Å; R2-A103 VanDerWaalsContact NH1-C 3.31Å; R2-A103 VanDerWaalsContact NH1-CA 3.3Å; R2-A103 PolarHBondContact NH1-O 3.42Å; R2-A103 PolarHBondContact NH2-O 3.26Å; N28-A103 HydrophobicContact CB-CB 3.66Å; N28-A103 VanDerWaalsContact OD1-CA 3.27Å; N28-A103 WeakPolarHBondContact OD1-CA 3.35Å; Q99-A103 PolarHBondContact O-N 3.34Å; A103-S105 VanDerWaalsContact C-N 3.34Å; A103-S105 PolarHBondContact O-N 3.24Å; A103-V108 HydrophobicContact CB-CG2 3.53Å
104T96.4Very high95.9Very high130 Ų13049 Ų4980%0.79825%0.251SS*.  trans-75.9-9.5-177.353.30000116.5N28 Q102N28-T104 PolarHBondContact OD1-N 2.83Å; Q102-T104 PolarHBondContact O-N 3.36Å
105S97.6Very high95.9Very high10 Ų1042.2 Ų42.27%0.0722%0.22CC..SBendtrans-71157.8-178.756.70000113.4G26 N28 A103 Y107G26-S105 WeakPolarHBondContact O-CB 3.35Å; N28-S105 WeakPolarHBondContact CB-OG 3.45Å; N28-S105 PolarHBondContact N-OG 2.94Å; N28-S105 WeakPolarHBondContact OD1-CB 3.37Å; N28-S105 PolarHBondContact OD1-N 3.39Å; N28-S105 PolarHBondContact OD1-OG 3.06Å; N28-S105 VanDerWaalsContact OD1-OG 3.08Å; A103-S105 VanDerWaalsContact C-N 3.34Å; A103-S105 PolarHBondContact O-N 3.24Å; S105-Y107 WeakPolarHBondContact CB-O 3.27Å; S105-Y107 PolarHBondContact O-N 2.8Å; S105-Y107 VanDerWaalsContact O-N 3.15Å; S105-Y107 PolarHBondContact OG-O 2.93Å
106P96.7Very high95.8Very high80 Ų8040.4 Ų40.452%0.51921%0.212SC..SBendtrans-58.1-30.5-177.6-27.436.2000114.7L194 A197P106-L194 HydrophobicContact CB-CD2 3.7Å; P106-L194 HydrophobicContact CG-CD2 3.75Å; P106-A197 WeakPolarHBondContact O-CB 3.41Å
107Y98.4Very high95.5Very high0 Ų042.8 Ų42.80%022%0.223CC..EExtended strand (participates in β ladder)trans-140.1167.9169.165.7-89.6000109.3Y3 V5 F22 I27 S105 H190 Y193 L194Y3-Y107 WeakPolarHBondContact O-CA 3.37Å; Y3-Y107 WeakPolarHBondContact O-CB 3.4Å; V5-Y107 HydrophobicContact CG2-CD2 3.94Å; V5-Y107 HydrophobicContact CG2-CE2 4.3Å; F22-Y107 WeakPolarHBondContact CD1-OH 3.2Å; F22-Y107 WeakPolarHBondContact CE1-OH 3.45Å; I27-Y107 HydrophobicContact CB-CE2 4.48Å; I27-Y107 HydrophobicContact CD1-CD1 3.85Å; I27-Y107 HydrophobicContact CD1-CE1 3.35Å; I27-Y107 HydrophobicContact CD1-CE2 4.1Å; I27-Y107 HydrophobicContact CD1-CG 4.4Å; I27-Y107 VanDerWaalsContact CD1-CZ 3.49Å; I27-Y107 HydrophobicContact CG1-CE1 3.99Å; I27-Y107 HydrophobicContact CG1-CE2 4.06Å; I27-Y107 WeakPolarHBondContact CG1-OH 3.38Å; I27-Y107 HydrophobicContact CG2-CD2 4.02Å; I27-Y107 HydrophobicContact CG2-CE2 3.64Å; S105-Y107 WeakPolarHBondContact CB-O 3.27Å; S105-Y107 PolarHBondContact O-N 2.8Å; S105-Y107 VanDerWaalsContact O-N 3.15Å; S105-Y107 PolarHBondContact OG-O 2.93Å; Y107-H190 AromaticContact CE1-ND1 3.7Å; Y107-H190 AromaticContact CZ-ND1 3.75Å; Y107-H190 PolarHBondContact OH-ND1 3.39Å; Y107-Y193 AromaticContact CE2-CD2 3.98Å; Y107-Y193 HydrophobicContact CE2-CD2 3.98Å; Y107-Y193 HydrophobicContact CE2-CG 4.45Å; Y107-Y193 AromaticContact CZ-CD2 3.97Å; Y107-L194 HydrophobicContact CD1-CD2 4.27Å; Y107-L194 HydrophobicContact CE1-CD2 4.14Å; Y107-L194 HydrophobicContact CE1-CG 4.38Å
108V98.5Very high95.3Very high0 Ų042.2 Ų42.20%022%0.223CC..EExtended strand (participates in β ladder)trans-108.2137.2176.8171.50000109.7R2 Y3 V5 I30 I100 A103R2-V108 HydrophobicContact CB-CG2 4.42Å; Y3-V108 PolarHBondContact O-N 3.23Å; V5-V108 PolarHBondContact N-O 2.79Å; I30-V108 HydrophobicContact CB-CG1 4.34Å; I30-V108 HydrophobicContact CD1-CG1 3.56Å; I30-V108 HydrophobicContact CG1-CG1 3.91Å; I100-V108 HydrophobicContact CG1-CG1 4.31Å; A103-V108 HydrophobicContact CB-CG2 3.53Å
109L98.7Very high95.1Very high0 Ų041.3 Ų41.30%023%0.226CC..EExtended strand (participates in β ladder)trans-96.7109.3166-167.273.5000109.4V5 L7 A19 F22 I27 N28 V29 I30V5-L109 HydrophobicContact CB-CD1 4.12Å; V5-L109 HydrophobicContact CG1-CD1 4Å; V5-L109 CarbonylContact O-C 3.49Å; V5-L109 WeakPolarHBondContact O-CA 3.46Å; L7-L109 HydrophobicContact CB-CD1 4.01Å; L7-L109 HydrophobicContact CB-CD2 4.49Å; L7-L109 HydrophobicContact CB-CG 4.12Å; L7-L109 HydrophobicContact CD2-CD2 4.09Å; A19-L109 HydrophobicContact CB-CD2 4.41Å; F22-L109 HydrophobicContact CB-CD2 3.65Å; F22-L109 HydrophobicContact CD2-CD1 4.29Å; F22-L109 HydrophobicContact CD2-CD2 3.67Å; F22-L109 HydrophobicContact CG-CD2 3.86Å; I27-L109 HydrophobicContact CG2-CB 3.92Å; N28-L109 PolarHBondContact O-N 3.44Å; V29-L109 CarbonylContact C-O 3.51Å; V29-L109 WeakPolarHBondContact CA-O 3.17Å; V29-L109 HydrophobicContact CG2-CB 4.34Å; V29-L109 HydrophobicContact CG2-CD2 4.12Å; I30-L109 PolarHBondContact N-O 2.8Å
110W98.4Very high94.9Very high17 Ų1740.6 Ų40.66%0.06422%0.224CC..EExtended strand (participates in β ladder)trans-98.4104.9-179.2179.237.5000110.7I4 V5 A6 L7 I30 T96 V112 L115 L120 K123 A124I4-W110 HydrophobicContact CG2-CB 3.83Å; I4-W110 HydrophobicContact CG2-CE3 4.16Å; V5-W110 PolarHBondContact O-N 2.89Å; A6-W110 CarbonylContact C-O 3.53Å; A6-W110 VanDerWaalsContact CA-O 3.27Å; A6-W110 WeakPolarHBondContact CA-O 3.39Å; A6-W110 HydrophobicContact CB-CE3 4.19Å; L7-W110 PolarHBondContact N-O 3.48Å; I30-W110 CarbonylContact O-C 3Å; I30-W110 WeakPolarHBondContact O-CA 3.39Å; T96-W110 HydrophobicContact CG2-CZ2 4.32Å; W110-V112 HydrophobicContact CD2-CG2 3.47Å; W110-V112 VanDerWaalsContact CD2-CG2 3.47Å; W110-V112 HydrophobicContact CE3-CG2 4.03Å; W110-V112 HydrophobicContact CG-CG2 3.85Å; W110-V112 HydrophobicContact CH2-CG2 4.16Å; W110-V112 HydrophobicContact CZ2-CG2 3.6Å; W110-V112 HydrophobicContact CZ3-CG2 4.34Å; W110-L115 HydrophobicContact CZ3-CD1 4.32Å; W110-L120 HydrophobicContact CH2-CB 3.85Å; W110-L120 HydrophobicContact CH2-CD1 4.35Å; W110-L120 HydrophobicContact CH2-CD2 4.34Å; W110-L120 HydrophobicContact CH2-CG 4.39Å; W110-L120 HydrophobicContact CZ2-CD1 4.4Å; W110-L120 HydrophobicContact CZ3-CB 4.44Å; W110-K123 HydrophobicContact CH2-CB 4.15Å; W110-K123 HydrophobicContact CH2-CD 4.41Å; W110-K123 HydrophobicContact CZ3-CB 3.92Å; W110-A124 HydrophobicContact CE3-CB 4.45Å
111V98.2Very high94.8Very high0 Ų043.1 Ų43.10%023%0.233CC..EExtended strand (participates in β ladder)trans-86.6118.7-175.5-174.20000109.9L7 K15 A19 V29 I30 D31 A32L7-V111 HydrophobicContact CB-CG2 4.23Å; L7-V111 HydrophobicContact CD2-CG1 4.44Å; L7-V111 HydrophobicContact CD2-CG2 4Å; K15-V111 HydrophobicContact CD-CG1 3.9Å; K15-V111 HydrophobicContact CG-CG1 4.12Å; A19-V111 HydrophobicContact CB-CG2 3.93Å; V29-V111 HydrophobicContact CG1-CG2 3.51Å; I30-V111 PolarHBondContact O-N 2.9Å; D31-V111 HydrophobicContact CB-CB 4.17Å; A32-V111 WeakPolarHBondContact CB-O 3.47Å; A32-V111 PolarHBondContact N-O 2.87Å
112V95.1Very high94.8Very high4 Ų445.2 Ų45.22%0.02424%0.241CC..  trans-136.9105.7-176.5-169.90000109.9L7 T8 A32 W110 L114 L115 L120L7-V112 PolarHBondContact O-N 3.22Å; T8-V112 VanDerWaalsContact CB-O 3.32Å; T8-V112 WeakPolarHBondContact CB-O 3.21Å; T8-V112 PolarHBondContact OG1-O 3.39Å; A32-V112 HydrophobicContact CB-CG2 4.36Å; W110-V112 HydrophobicContact CD2-CG2 3.47Å; W110-V112 VanDerWaalsContact CD2-CG2 3.47Å; W110-V112 HydrophobicContact CE3-CG2 4.03Å; W110-V112 HydrophobicContact CG-CG2 3.85Å; W110-V112 HydrophobicContact CH2-CG2 4.16Å; W110-V112 HydrophobicContact CZ2-CG2 3.6Å; W110-V112 HydrophobicContact CZ3-CG2 4.34Å; V112-L114 PolarHBondContact O-N 3.02Å; V112-L115 HydrophobicContact CB-CB 4.04Å; V112-L115 HydrophobicContact CB-CD1 3.76Å; V112-L115 HydrophobicContact CG1-CB 4.07Å; V112-L115 HydrophobicContact CG1-CD1 4.04Å; V112-L115 HydrophobicContact CG2-CD1 3.97Å; V112-L120 HydrophobicContact CG1-CD1 3.81Å
113P85.4Confident94.7Very high21 Ų2144.5 Ų44.514%0.13624%0.235CC..THydrogen-bonded Turntrans-63.6-37.9-179.8-22.131.9000113.8T8 D33T8-P113 PolarHBondContact OG1-O 2.81Å; D33-P113 WeakPolarHBondContact OD2-CG 3.46Å
114L88Confident94.7Very high74 Ų7445 Ų4539%0.38724%0.24SC..THydrogen-bonded Turntrans-105.443.5-178.2-60.4179.7000111.6V112 V116 E117 N118V112-L114 PolarHBondContact O-N 3.02Å; L114-V116 VanDerWaalsContact C-N 3.32Å; L114-V116 PolarHBondContact O-N 2.6Å; L114-E117 WeakPolarHBondContact CA-OE2 3.44Å; L114-E117 HydrophobicContact CB-CB 4.23Å; L114-E117 HydrophobicContact CD2-CG 4.16Å; L114-N118 WeakPolarHBondContact O-CB 3.36Å; L114-N118 PolarHBondContact O-N 3.08Å; L114-N118 PolarHBondContact O-ND2 2.88Å
115L94.7Very high94.7Very high0 Ų041.8 Ų41.80%022%0.218CC..THydrogen-bonded Turntrans-61.7-41.6-173.6-174.175.1000111.6A6 T8 W110 V112 S119 L120 V127A6-L115 HydrophobicContact CB-CD1 3.84Å; A6-L115 HydrophobicContact CB-CD2 3.79Å; T8-L115 HydrophobicContact CG2-CB 4.14Å; T8-L115 HydrophobicContact CG2-CD2 3.74Å; W110-L115 HydrophobicContact CZ3-CD1 4.32Å; V112-L115 HydrophobicContact CB-CB 4.04Å; V112-L115 HydrophobicContact CB-CD1 3.76Å; V112-L115 HydrophobicContact CG1-CB 4.07Å; V112-L115 HydrophobicContact CG1-CD1 4.04Å; V112-L115 HydrophobicContact CG2-CD1 3.97Å; L115-S119 PolarHBondContact O-N 3.18Å; L115-L120 HydrophobicContact CD1-CB 3.8Å; L115-L120 PolarHBondContact O-N 2.8Å; L115-V127 HydrophobicContact CD2-CG1 3.68Å; L115-V127 HydrophobicContact CD2-CG2 4.34Å
116V94.9Very high94.7Very high21 Ų2143.3 Ų43.313%0.12722%0.222CC..THydrogen-bonded Turntrans-80.7-46.2-174-178.30000110.4L114 N118 S119 A160 A164 R165 V168L114-V116 VanDerWaalsContact C-N 3.32Å; L114-V116 PolarHBondContact O-N 2.6Å; V116-N118 PolarHBondContact O-N 3.29Å; V116-S119 PolarHBondContact O-N 2.93Å; V116-A160 HydrophobicContact CB-CB 3.75Å; V116-A160 HydrophobicContact CG1-CB 3.72Å; V116-A164 HydrophobicContact CG1-CB 4.33Å; V116-R165 HydrophobicContact CG2-CB 4.48Å; V116-R165 HydrophobicContact CG2-CG 4.02Å; V116-V168 HydrophobicContact CG2-CG2 3.72Å
117E91.1Very high94.8Very high60 Ų6039.8 Ų39.828%0.2820%0.199SC..THydrogen-bonded Turntrans-56.4-40.6-179.8-61.586.6158.700110.9L114 Q159 A160L114-E117 WeakPolarHBondContact CA-OE2 3.44Å; L114-E117 HydrophobicContact CB-CB 4.23Å; L114-E117 HydrophobicContact CD2-CG 4.16Å; E117-Q159 WeakPolarHBondContact OE1-CA 3.22Å; E117-A160 HydrophobicContact CG-CB 4.03Å; E117-A160 PolarHBondContact OE1-N 2.89Å
118N89.6Confident94.8Very high79 Ų7939.8 Ų39.842%0.42220%0.199SC..THydrogen-bonded Turntrans-93.16.5178.5-64.6-36.1000113.6L114 V116 L120L114-N118 WeakPolarHBondContact O-CB 3.36Å; L114-N118 PolarHBondContact O-N 3.08Å; L114-N118 PolarHBondContact O-ND2 2.88Å; V116-N118 PolarHBondContact O-N 3.29Å; N118-L120 HydrophobicContact CB-CD1 3.75Å; N118-L120 HydrophobicContact CB-CG 3.68Å; N118-L120 PolarHBondContact O-N 2.83Å; N118-L120 VanDerWaalsContact O-N 3.12Å
119S92.9Very high94.8Very high69 Ų6939.8 Ų39.848%0.48320%0.199SC..THydrogen-bonded Turntrans51.933.2-177.8-63.30000114.1L115 V116L115-S119 PolarHBondContact O-N 3.18Å; V116-S119 PolarHBondContact O-N 2.93Å
120L93.8Very high94.8Very high31 Ų3139.8 Ų39.816%0.16220%0.199CC..G310 helixtrans-82.4-13.9-175.2-70.6175.8000113W110 V112 L115 N118 K122 K123W110-L120 HydrophobicContact CH2-CB 3.85Å; W110-L120 HydrophobicContact CH2-CD1 4.35Å; W110-L120 HydrophobicContact CH2-CD2 4.34Å; W110-L120 HydrophobicContact CH2-CG 4.39Å; W110-L120 HydrophobicContact CZ2-CD1 4.4Å; W110-L120 HydrophobicContact CZ3-CB 4.44Å; V112-L120 HydrophobicContact CG1-CD1 3.81Å; L115-L120 HydrophobicContact CD1-CB 3.8Å; L115-L120 PolarHBondContact O-N 2.8Å; N118-L120 HydrophobicContact CB-CD1 3.75Å; N118-L120 HydrophobicContact CB-CG 3.68Å; N118-L120 PolarHBondContact O-N 2.83Å; N118-L120 VanDerWaalsContact O-N 3.12Å; L120-K122 PolarHBondContact O-N 3.43Å; L120-K122 VanDerWaalsContact O-N 3.11Å; L120-K123 HydrophobicContact CD2-CD 4.05Å; L120-K123 WeakPolarHBondContact O-CB 3.15Å; L120-K123 PolarHBondContact O-N 3.1Å
121Y94.2Very high94.7Very high65 Ų6539.3 Ų39.326%0.25520%0.197SC..G310 helixtrans-55.7-29.4179.858.1-92.8000113.5K123 A124 V168Y121-K123 PolarHBondContact O-N 3.27Å; Y121-A124 PolarHBondContact O-N 3.41Å; Y121-V168 HydrophobicContact CD1-CG1 4.1Å; Y121-V168 HydrophobicContact CD2-CB 4.29Å; Y121-V168 HydrophobicContact CD2-CG1 4.15Å; Y121-V168 HydrophobicContact CE1-CG1 4.06Å; Y121-V168 HydrophobicContact CE2-CG1 4.12Å; Y121-V168 HydrophobicContact CG-CB 4.2Å; Y121-V168 HydrophobicContact CG-CG1 4.16Å
122K94.3Very high94.6Very high160 Ų16039.3 Ų39.370%0.69620%0.198SC*.G310 helixtrans-69.9-12.5176.9-59.9-176.7-179.9176.60114.3L120L120-K122 PolarHBondContact O-N 3.43Å; L120-K122 VanDerWaalsContact O-N 3.11Å
123K94Very high94.5Very high106 Ų10640.5 Ų40.546%0.46121%0.206SC..G310 helixtrans-90-3.8177.7-61.9-172.9175.8-175.40112.8W110 L120 Y121W110-K123 HydrophobicContact CH2-CB 4.15Å; W110-K123 HydrophobicContact CH2-CD 4.41Å; W110-K123 HydrophobicContact CZ3-CB 3.92Å; L120-K123 HydrophobicContact CD2-CD 4.05Å; L120-K123 WeakPolarHBondContact O-CB 3.15Å; L120-K123 PolarHBondContact O-N 3.1Å; Y121-K123 PolarHBondContact O-N 3.27Å
124A96.7Very high94.8Very high18 Ų1842.6 Ų42.615%0.14922%0.219CC..SBendtrans-106.2155.717600000110.7I4 A6 W110 Y121 R126I4-A124 HydrophobicContact CG2-CB 4.03Å; A6-A124 HydrophobicContact CB-CB 3.57Å; W110-A124 HydrophobicContact CE3-CB 4.45Å; Y121-A124 PolarHBondContact O-N 3.41Å; A124-R126 VanDerWaalsContact C-N 3.32Å
125N97.7Very high95.1Very high62 Ų6246.1 Ų46.133%0.33223%0.234SC..SBendtrans-78.1-23.9172.1-59.797.3000112Y3 I4Y3-N125 WeakPolarHBondContact CA-OD1 3.23Å; Y3-N125 HydrophobicContact CD1-CB 4.32Å; Y3-N125 HydrophobicContact CD2-CB 3.74Å; Y3-N125 HydrophobicContact CE1-CB 4.04Å; Y3-N125 HydrophobicContact CE2-CB 3.44Å; Y3-N125 VanDerWaalsContact CE2-CB 3.44Å; Y3-N125 HydrophobicContact CG-CB 4.18Å; I4-N125 PolarHBondContact N-OD1 2.77Å; I4-N125 WeakPolarHBondContact O-CB 3.3Å; I4-N125 PolarHBondContact O-N 3.41Å
126R98.2Very high95.1Very high43 Ų4347.6 Ų47.616%0.16224%0.243CC..EExtended strand (participates in β ladder)trans-153.5148.4-178.5-159160.1-179.790.27.7111.3Y3 I4 V5 A6 A124 D170 D171 H192 Y193Y3-R126 HydrophobicContact CE1-CB 4.18Å; I4-R126 PolarHBondContact O-N 3.44Å; V5-R126 CarbonylContact C-O 3.59Å; V5-R126 WeakPolarHBondContact CA-O 3.36Å; V5-R126 HydrophobicContact CG2-CB 4.36Å; A6-R126 PolarHBondContact N-O 3.11Å; A124-R126 VanDerWaalsContact C-N 3.32Å; R126-D170 VanDerWaalsContact CA-OD2 3.27Å; R126-D170 WeakPolarHBondContact CA-OD2 3.45Å; R126-D170 HydrophobicContact CG-CB 3.48Å; R126-D170 VanDerWaalsContact CG-CB 3.48Å; R126-D170 PolarHBondContact NH2-O 3.19Å; R126-D171 IonicContact CZ-OD1 3.37Å; R126-D171 IonicContact CZ-OD2 2.8Å; R126-D171 IonicContact NE-OD1 2.67Å; R126-D171 IonicContact NE-OD2 3.99Å; R126-D171 PolarHBondContact NE-OD2 3.33Å; R126-D171 VanDerWaalsContact NH2-CG 3.28Å; R126-D171 IonicContact NH2-OD1 3.24Å; R126-D171 PolarHBondContact NH2-OD1 3.43Å; R126-D171 IonicContact NH2-OD2 3.72Å; R126-D171 PolarHBondContact NH2-OD2 3.31Å; R126-H192 PolarHBondContact NH2-CE1 3.18Å; R126-Y193 HydrophobicContact CG-CE1 4.36Å
127V98.6Very high95Very high5 Ų546.9 Ų46.93%0.0324%0.238CC..EExtended strand (participates in β ladder)trans-118.9119.6179.5-178.10000110.3T8 L115 V129 V168 D170 D171T8-V127 HydrophobicContact CG2-CG1 4.46Å; L115-V127 HydrophobicContact CD2-CG1 3.68Å; L115-V127 HydrophobicContact CD2-CG2 4.34Å; V127-V129 HydrophobicContact CG1-CG2 4.19Å; V127-V168 VanDerWaalsContact CB-O 3.26Å; V127-V168 WeakPolarHBondContact CB-O 3.31Å; V127-V168 HydrophobicContact CG1-CG2 4.34Å; V127-D170 PolarHBondContact N-OD2 2.94Å; V127-D170 PolarHBondContact O-N 2.91Å; V127-D171 PolarHBondContact O-N 3.32Å; V127-D171 VanDerWaalsContact O-N 3.11Å
128L98.7Very high95.2Very high0 Ų044.5 Ų44.50%023%0.228CC..EExtended strand (participates in β ladder)trans-102.7119.6171.6175.355.8000109.9V5 A6 L7 T8 V18 F22 D171 I173 L189 Y193V5-L128 HydrophobicContact CG1-CB 4.06Å; A6-L128 PolarHBondContact O-N 3.44Å; L7-L128 WeakPolarHBondContact CA-O 3.46Å; L7-L128 HydrophobicContact CD1-CB 4.15Å; L7-L128 HydrophobicContact CD1-CD2 3.7Å; L7-L128 HydrophobicContact CD1-CG 3.67Å; T8-L128 PolarHBondContact N-O 3.44Å; V18-L128 HydrophobicContact CG1-CD2 4.36Å; F22-L128 HydrophobicContact CE2-CD2 3.63Å; F22-L128 HydrophobicContact CZ-CD2 4.01Å; L128-D171 WeakPolarHBondContact CA-O 3.45Å; L128-D171 HydrophobicContact CD1-CB 3.89Å; L128-I173 HydrophobicContact CD1-CD1 4.13Å; L128-I173 HydrophobicContact CD1-CG1 4Å; L128-I173 HydrophobicContact CD2-CD1 4.11Å; L128-L189 HydrophobicContact CD1-CD1 3.72Å; L128-L189 HydrophobicContact CD2-CD1 4.16Å; L128-Y193 HydrophobicContact CD2-CE2 4.27Å
129V98.2Very high95.4Very high0 Ų047.1 Ų47.10%024%0.235CC..EExtended strand (participates in β ladder)trans-102.8126.8174.3177.90000110.2T8 V127 D131 L166 A169 D171 V172 I173T8-V129 HydrophobicContact CG2-CG2 3.78Å; V127-V129 HydrophobicContact CG1-CG2 4.19Å; V129-D131 HydrophobicContact CG1-CB 4.37Å; V129-L166 HydrophobicContact CG1-CD2 4.27Å; V129-A169 HydrophobicContact CB-CB 4.06Å; V129-A169 HydrophobicContact CG2-CB 3.53Å; V129-D171 PolarHBondContact N-O 2.91Å; V129-V172 CarbonylContact O-C 3.6Å; V129-V172 VanDerWaalsContact O-CA 3.3Å; V129-V172 WeakPolarHBondContact O-CA 3.31Å; V129-I173 PolarHBondContact O-N 3.08Å
130V97.4Very high95.5Very high0 Ų047.4 Ų47.40%023%0.225CC..EExtended strand (participates in β ladder)trans-90.6111.3165.2-1690000108L7 T8 G9 S13 V18 N175L7-V130 HydrophobicContact CD1-CG2 3.65Å; T8-V130 PolarHBondContact O-N 2.87Å; G9-V130 WeakPolarHBondContact CA-O 3.21Å; S13-V130 WeakPolarHBondContact CB-O 3.47Å; S13-V130 WeakPolarHBondContact O-CG1 3.41Å; S13-V130 PolarHBondContact OG-O 3.25Å; V18-V130 HydrophobicContact CB-CG2 3.92Å; V18-V130 HydrophobicContact CG1-CG2 4.05Å; V18-V130 HydrophobicContact CG2-CG1 4.02Å; V18-V130 HydrophobicContact CG2-CG2 3.69Å; V130-N175 HydrophobicContact CG1-CB 3.91Å
131D96.8Very high95.5Very high7 Ų745.9 Ų45.94%0.03722%0.218CC..EExtended strand (participates in β ladder)trans-110.4148.2-174.4-16948.8000112V129 R162 L166 V172 I173 N175V129-D131 HydrophobicContact CG1-CB 4.37Å; D131-R162 IonicContact OD1-NE 3.15Å; D131-R162 PolarHBondContact OD1-NE 2.96Å; D131-R162 VanDerWaalsContact OD1-NE 3.15Å; D131-R162 IonicContact OD2-CZ 3.19Å; D131-R162 IonicContact OD2-NE 2.85Å; D131-R162 PolarHBondContact OD2-NE 3.4Å; D131-R162 IonicContact OD2-NH2 2.7Å; D131-R162 PolarHBondContact OD2-NH2 3.38Å; D131-L166 HydrophobicContact CB-CD2 4.17Å; D131-V172 HydrophobicContact CB-CG1 3.8Å; D131-I173 PolarHBondContact N-O 3.27Å; D131-N175 PolarHBondContact O-N 2.81Å
132V95.4Very high95.5Very high1 Ų146 Ų461%0.00622%0.221CC..  trans-148.1161.6172.5-64.20000108.5T136 Q137 N175V132-T136 HydrophobicContact CB-CG2 3.83Å; V132-T136 HydrophobicContact CG1-CG2 4.07Å; V132-T136 HydrophobicContact CG2-CG2 4.21Å; V132-Q137 HydrophobicContact CG2-CB 4.47Å; V132-Q137 HydrophobicContact CG2-CG 3.36Å; V132-N175 HydrophobicContact CG1-CB 3.75Å; V132-N175 WeakPolarHBondContact CG1-O 3.43Å
133S93.8Very high95.5Very high28 Ų2845 Ų4520%0.19622%0.219CC..  trans-63.3150.7173.2770000111.1E135 T136 Q137 N176S133-E135 PolarHBondContact O-N 3.29Å; S133-T136 WeakPolarHBondContact O-CA 3.47Å; S133-T136 WeakPolarHBondContact O-CB 3.37Å; S133-T136 PolarHBondContact O-N 2.94Å; S133-T136 WeakPolarHBondContact OG-CB 3.4Å; S133-T136 PolarHBondContact OG-N 3.44Å; S133-T136 VanDerWaalsContact OG-N 3.11Å; S133-T136 PolarHBondContact OG-OG1 2.94Å; S133-Q137 PolarHBondContact O-N 2.81Å; S133-N176 PolarHBondContact N-ND2 3.33Å; S133-N176 PolarHBondContact N-OD1 2.94Å; S133-N176 PolarHBondContact OG-OD1 3.28Å
134P92.3Very high95.4Very high65 Ų6547.4 Ų47.442%0.42223%0.225SC..Hα-helixtrans-53.8-37.6174-2835.8000113T136 Q137 L138P134-T136 VanDerWaalsContact C-N 3.34Å; P134-T136 PolarHBondContact O-N 2.6Å; P134-Q137 WeakPolarHBondContact O-CB 3.28Å; P134-Q137 PolarHBondContact O-N 2.94Å; P134-L138 WeakPolarHBondContact O-CG 3.28Å; P134-L138 PolarHBondContact O-N 2.83Å
135E93.7Very high95.2Very high149 Ų14949.9 Ų49.970%0.69624%0.236SC*.Hα-helixtrans-62.4-40.5175.9-65.2173.6177.100112.2S133 L138 K139S133-E135 PolarHBondContact O-N 3.29Å; E135-L138 PolarHBondContact O-N 2.95Å; E135-K139 WeakPolarHBondContact O-CB 3.43Å; E135-K139 PolarHBondContact O-N 3.31Å
136T94.2Very high95Very high30 Ų3054.5 Ų54.518%0.18426%0.261CS..Hα-helixtrans-66.2-40.1173.9-63.60000111.3V132 S133 P134 K139 R140 N176V132-T136 HydrophobicContact CB-CG2 3.83Å; V132-T136 HydrophobicContact CG1-CG2 4.07Å; V132-T136 HydrophobicContact CG2-CG2 4.21Å; S133-T136 WeakPolarHBondContact O-CA 3.47Å; S133-T136 WeakPolarHBondContact O-CB 3.37Å; S133-T136 PolarHBondContact O-N 2.94Å; S133-T136 WeakPolarHBondContact OG-CB 3.4Å; S133-T136 PolarHBondContact OG-N 3.44Å; S133-T136 VanDerWaalsContact OG-N 3.11Å; S133-T136 PolarHBondContact OG-OG1 2.94Å; P134-T136 VanDerWaalsContact C-N 3.34Å; P134-T136 PolarHBondContact O-N 2.6Å; T136-K139 PolarHBondContact O-N 2.95Å; T136-R140 HydrophobicContact CG2-CG 4.17Å; T136-R140 WeakPolarHBondContact O-CB 3.4Å; T136-R140 WeakPolarHBondContact O-CG 3.24Å; T136-R140 PolarHBondContact O-N 3.06Å; T136-N176 PolarHBondContact OG1-OD1 3.06Å
137Q94.2Very high94.7Very high7 Ų754.3 Ų54.33%0.03326%0.264CS..Hα-helixtrans-58.7-48.6174.5-60.2-168.5-89.500111.2I11 V132 S133 P134 T141 L156I11-Q137 WeakPolarHBondContact O-CB 3.28Å; I11-Q137 WeakPolarHBondContact O-CG 3.27Å; I11-Q137 PolarHBondContact O-NE2 3.37Å; V132-Q137 HydrophobicContact CG2-CB 4.47Å; V132-Q137 HydrophobicContact CG2-CG 3.36Å; S133-Q137 PolarHBondContact O-N 2.81Å; P134-Q137 WeakPolarHBondContact O-CB 3.28Å; P134-Q137 PolarHBondContact O-N 2.94Å; Q137-T141 VanDerWaalsContact O-CB 3.25Å; Q137-T141 WeakPolarHBondContact O-CB 3.39Å; Q137-T141 PolarHBondContact O-N 2.61Å; Q137-T141 PolarHBondContact O-OG1 3.46Å; Q137-L156 HydrophobicContact CB-CD1 4.4Å; Q137-L156 HydrophobicContact CB-CD2 4.17Å; Q137-L156 VanDerWaalsContact CD-CD2 3.5Å; Q137-L156 HydrophobicContact CG-CD2 4.45Å
138L94.5Very high94.5Very high10 Ų1057.9 Ų57.95%0.05229%0.286CS..Hα-helixtrans-57.9-57.3178-69.7169.5000110.6P134 E135 R140 T141 M142 R149 V152 E153 L156P134-L138 WeakPolarHBondContact O-CG 3.28Å; P134-L138 PolarHBondContact O-N 2.83Å; E135-L138 PolarHBondContact O-N 2.95Å; L138-R140 PolarHBondContact O-N 2.9Å; L138-T141 PolarHBondContact O-N 2.89Å; L138-M142 WeakPolarHBondContact O-CB 3.35Å; L138-M142 WeakPolarHBondContact O-CG 3.41Å; L138-M142 PolarHBondContact O-N 2.94Å; L138-R149 HydrophobicContact CD2-CG 4.27Å; L138-V152 HydrophobicContact CD2-CB 3.84Å; L138-V152 HydrophobicContact CD2-CG1 3.77Å; L138-E153 HydrophobicContact CD2-CG 3.71Å; L138-L156 HydrophobicContact CD2-CD1 3.82Å; L138-L156 HydrophobicContact CG-CD1 4.17Å
139K94.3Very high94.3Very high134 Ų13463.6 Ų63.658%0.58331%0.308SS*.Hα-helixtrans-57.2-49.4-177.4-176.5179.2178.2-178.60112.1E135 T136 Q143E135-K139 WeakPolarHBondContact O-CB 3.43Å; E135-K139 PolarHBondContact O-N 3.31Å; T136-K139 PolarHBondContact O-N 2.95Å; K139-Q143 WeakPolarHBondContact O-CB 3.46Å; K139-Q143 WeakPolarHBondContact O-CG 3.47Å; K139-Q143 PolarHBondContact O-N 3.36Å
140R94.3Very high94.1Very high74 Ų7468.9 Ų68.928%0.27933%0.333SS..Hα-helixtrans-66.7-39.1-177.6-72.6-179.4177.2172.13.7112.2G12 T136 L138 R144 N175G12-R140 WeakPolarHBondContact O-CD 3.32Å; T136-R140 HydrophobicContact CG2-CG 4.17Å; T136-R140 WeakPolarHBondContact O-CB 3.4Å; T136-R140 WeakPolarHBondContact O-CG 3.24Å; T136-R140 PolarHBondContact O-N 3.06Å; L138-R140 PolarHBondContact O-N 2.9Å; R140-R144 VanDerWaalsContact O-CB 3.28Å; R140-R144 WeakPolarHBondContact O-CB 3.48Å; R140-R144 PolarHBondContact O-N 3.05Å; R140-N175 PolarHBondContact NH1-ND2 3.09Å; R140-N175 VanDerWaalsContact NH1-ND2 3.14Å; R140-N175 PolarHBondContact NH1-O 3.46Å; R140-N175 PolarHBondContact NH2-O 2.8Å
141T93.3Very high93.8Very high0 Ų073 Ų730%035%0.351CS..Hα-helixtrans-71.2-45.2-179.2-52.40000111.1I11 Q137 L138 Q143 R144 D145 V152I11-T141 HydrophobicContact CD1-CG2 3.53Å; I11-T141 HydrophobicContact CG1-CG2 3.93Å; Q137-T141 VanDerWaalsContact O-CB 3.25Å; Q137-T141 WeakPolarHBondContact O-CB 3.39Å; Q137-T141 PolarHBondContact O-N 2.61Å; Q137-T141 PolarHBondContact O-OG1 3.46Å; L138-T141 PolarHBondContact O-N 2.89Å; T141-Q143 VanDerWaalsContact C-N 3.31Å; T141-Q143 PolarHBondContact O-N 3.28Å; T141-R144 PolarHBondContact O-N 3.16Å; T141-D145 PolarHBondContact O-N 2.86Å; T141-V152 HydrophobicContact CG2-CB 4.44Å; T141-V152 HydrophobicContact CG2-CG1 3.86Å; T141-V152 HydrophobicContact CG2-CG2 3.7Å
142M95.3Very high93.6Very high66 Ų6672.6 Ų72.633%0.32535%0.349SS..Hα-helixtrans-58.5-44.4175.5-67.3171.465.700111.3L138 D146 V147 R149 V152L138-M142 WeakPolarHBondContact O-CB 3.35Å; L138-M142 WeakPolarHBondContact O-CG 3.41Å; L138-M142 PolarHBondContact O-N 2.94Å; M142-D146 WeakPolarHBondContact O-CA 3.45Å; M142-D146 PolarHBondContact O-N 2.94Å; M142-V147 WeakPolarHBondContact CG-O 3.44Å; M142-R149 HydrophobicContact CE-CB 4.12Å; M142-R149 HydrophobicContact SD-CB 3.91Å; M142-R149 HydrophobicContact SD-CG 4.37Å; M142-V152 HydrophobicContact CG-CG2 3.78Å
143Q93.7Very high93.5Very high140 Ų14076.5 Ų76.565%0.65437%0.368SS*.Hα-helixtrans-66.2-35.7178.5-74.8177.7-18.400113.5K139 T141K139-Q143 WeakPolarHBondContact O-CB 3.46Å; K139-Q143 WeakPolarHBondContact O-CG 3.47Å; K139-Q143 PolarHBondContact O-N 3.36Å; T141-Q143 VanDerWaalsContact C-N 3.31Å; T141-Q143 PolarHBondContact O-N 3.28Å
144R92.8Very high93.4Very high157 Ų15781.5 Ų81.559%0.59239%0.388SS*.Hα-helixtrans-78.9-43.7-177.5-174.8-169.269-167.8-4.1112.4R140 T141R140-R144 VanDerWaalsContact O-CB 3.28Å; R140-R144 WeakPolarHBondContact O-CB 3.48Å; R140-R144 PolarHBondContact O-N 3.05Å; T141-R144 PolarHBondContact O-N 3.16Å
145D91.4Very high93.2Very high70 Ų7080.7 Ų80.737%0.37438%0.38SS..Hα-helixtrans-103.1-4.9-168.5-60.2-19.5000113.1T141 V147T141-D145 PolarHBondContact O-N 2.86Å; D145-V147 HydrophobicContact CB-CG1 4.05Å; D145-V147 HydrophobicContact CB-CG2 4.05Å
146D93.1Very high93Very high158 Ų15875.3 Ų75.385%0.84536%0.355SS*.THydrogen-bonded Turntrans53.850-176.1-163.634.3000112.9M142M142-D146 WeakPolarHBondContact O-CA 3.45Å; M142-D146 PolarHBondContact O-N 2.94Å
147V92.2Very high92.8Very high39 Ų3978.1 Ų78.124%0.23638%0.381CS..  trans-118.9158-176.4-66.10000112.1M142 D145 H151 V152M142-V147 WeakPolarHBondContact CG-O 3.44Å; D145-V147 HydrophobicContact CB-CG1 4.05Å; D145-V147 HydrophobicContact CB-CG2 4.05Å; V147-H151 HydrophobicContact CB-CB 4.35Å; V147-V152 HydrophobicContact CG2-CG2 3.53Å
148T94Very high92.5Very high80 Ų8081.7 Ų81.749%0.49141%0.412SS..  trans-70.8159.6178.381.20000111.9E150 H151 V152T148-E150 VanDerWaalsContact C-N 3.3Å; T148-E150 VanDerWaalsContact CB-OE2 3.22Å; T148-E150 WeakPolarHBondContact CB-OE2 3.41Å; T148-E150 PolarHBondContact O-N 3.37Å; T148-E150 PolarHBondContact OG1-OE2 2.91Å; T148-H151 WeakPolarHBondContact O-CB 3.43Å; T148-H151 PolarHBondContact O-N 3.27Å; T148-H151 PolarHBondContact OG1-N 2.93Å; T148-V152 PolarHBondContact O-N 3.12Å
149R95.3Very high92.3Very high120 Ų12082.9 Ų82.945%0.45342%0.418SS..Hα-helixtrans-58.1-45.3176.5-177.5-176.4178.1110.61.5111.3L138 M142 H151 V152 E153L138-R149 HydrophobicContact CD2-CG 4.27Å; M142-R149 HydrophobicContact CE-CB 4.12Å; M142-R149 HydrophobicContact SD-CB 3.91Å; M142-R149 HydrophobicContact SD-CG 4.37Å; R149-H151 PolarHBondContact O-N 3.4Å; R149-V152 PolarHBondContact O-N 3.4Å; R149-V152 VanDerWaalsContact O-N 3.07Å; R149-E153 HydrophobicContact CG-CG 4.35Å; R149-E153 IonicContact CZ-OE1 3.67Å; R149-E153 IonicContact NE-OE1 3.69Å; R149-E153 PolarHBondContact NE-OE1 2.81Å; R149-E153 IonicContact NH2-OE1 2.81Å; R149-E153 PolarHBondContact NH2-OE1 2.88Å; R149-E153 WeakPolarHBondContact O-CG 3.42Å; R149-E153 PolarHBondContact O-N 3.45Å
150E94.2Very high92.3Very high112 Ų11277.3 Ų77.352%0.52340%0.396SS..Hα-helixtrans-60-38.5-178.7-59.171.5-154.600110.7T148 E153 Q154T148-E150 VanDerWaalsContact C-N 3.3Å; T148-E150 VanDerWaalsContact CB-OE2 3.22Å; T148-E150 WeakPolarHBondContact CB-OE2 3.41Å; T148-E150 PolarHBondContact O-N 3.37Å; T148-E150 PolarHBondContact OG1-OE2 2.91Å; E150-E153 PolarHBondContact O-N 3.05Å; E150-Q154 WeakPolarHBondContact O-CG 3.5Å; E150-Q154 PolarHBondContact O-N 3.21Å
151H90.9Very high92.3Very high85 Ų8577.7 Ų77.739%0.39441%0.407SS..Hα-helixtrans-64.6-42.9175.5-17463.7000112V147 T148 R149 Q154 I155V147-H151 HydrophobicContact CB-CB 4.35Å; T148-H151 WeakPolarHBondContact O-CB 3.43Å; T148-H151 PolarHBondContact O-N 3.27Å; T148-H151 PolarHBondContact OG1-N 2.93Å; R149-H151 PolarHBondContact O-N 3.4Å; H151-Q154 WeakPolarHBondContact O-CB 3.19Å; H151-Q154 PolarHBondContact O-N 3.14Å; H151-I155 WeakPolarHBondContact O-CG1 3.48Å; H151-I155 PolarHBondContact O-N 2.67Å; H151-I155 VanDerWaalsContact O-N 3.11Å
152V92.3Very high92.3Very high0 Ų081.8 Ų81.80%042%0.423CS..Hα-helixtrans-67.2-38.2176.7-173.10000111.5L138 T141 M142 V147 T148 R149 Q154 I155 L156L138-V152 HydrophobicContact CD2-CB 3.84Å; L138-V152 HydrophobicContact CD2-CG1 3.77Å; T141-V152 HydrophobicContact CG2-CB 4.44Å; T141-V152 HydrophobicContact CG2-CG1 3.86Å; T141-V152 HydrophobicContact CG2-CG2 3.7Å; M142-V152 HydrophobicContact CG-CG2 3.78Å; V147-V152 HydrophobicContact CG2-CG2 3.53Å; T148-V152 PolarHBondContact O-N 3.12Å; R149-V152 PolarHBondContact O-N 3.4Å; R149-V152 VanDerWaalsContact O-N 3.07Å; V152-Q154 VanDerWaalsContact C-N 3.31Å; V152-Q154 PolarHBondContact O-N 3.19Å; V152-I155 PolarHBondContact O-N 3.45Å; V152-I155 VanDerWaalsContact O-N 3.16Å; V152-L156 HydrophobicContact CG1-CD1 4.16Å; V152-L156 HydrophobicContact CG1-CG 4.37Å; V152-L156 WeakPolarHBondContact O-CG 3.42Å; V152-L156 PolarHBondContact O-N 2.87Å
153E93.5Very high92.3Very high83 Ų8384.9 Ų84.939%0.38844%0.436SS..Hα-helixtrans-60.9-39.7175-72.2175.7170.600111.7L138 R149 E150 L156 A157L138-E153 HydrophobicContact CD2-CG 3.71Å; R149-E153 HydrophobicContact CG-CG 4.35Å; R149-E153 IonicContact CZ-OE1 3.67Å; R149-E153 IonicContact NE-OE1 3.69Å; R149-E153 PolarHBondContact NE-OE1 2.81Å; R149-E153 IonicContact NH2-OE1 2.81Å; R149-E153 PolarHBondContact NH2-OE1 2.88Å; R149-E153 WeakPolarHBondContact O-CG 3.42Å; R149-E153 PolarHBondContact O-N 3.45Å; E150-E153 PolarHBondContact O-N 3.05Å; E153-L156 PolarHBondContact O-N 3.02Å; E153-A157 WeakPolarHBondContact O-CB 3.26Å; E153-A157 PolarHBondContact O-N 3.28Å
154Q91.5Very high92.5Very high133 Ų13379.9 Ų79.962%0.62142%0.419SS*.Hα-helixtrans-62.5-41.4172.6-72.1171.2-2.100112.4E150 H151 V152 A157 A158E150-Q154 WeakPolarHBondContact O-CG 3.5Å; E150-Q154 PolarHBondContact O-N 3.21Å; H151-Q154 WeakPolarHBondContact O-CB 3.19Å; H151-Q154 PolarHBondContact O-N 3.14Å; V152-Q154 VanDerWaalsContact C-N 3.31Å; V152-Q154 PolarHBondContact O-N 3.19Å; Q154-A157 PolarHBondContact O-N 3.37Å; Q154-A158 PolarHBondContact O-N 3.12Å
155I88.9Confident92.7Very high48 Ų4872.8 Ų72.825%0.24639%0.392CS..Hα-helixtrans-63.7-46.3175.9-65166.2000110.4I11 H151 V152 A157 A158 Q159I11-I155 HydrophobicContact CB-CG2 4.48Å; I11-I155 HydrophobicContact CD1-CD1 4.18Å; I11-I155 HydrophobicContact CD1-CG2 3.75Å; I11-I155 HydrophobicContact CG2-CG2 4.22Å; H151-I155 WeakPolarHBondContact O-CG1 3.48Å; H151-I155 PolarHBondContact O-N 2.67Å; H151-I155 VanDerWaalsContact O-N 3.11Å; V152-I155 PolarHBondContact O-N 3.45Å; V152-I155 VanDerWaalsContact O-N 3.16Å; I155-A157 VanDerWaalsContact C-N 3.3Å; I155-A157 PolarHBondContact O-N 2.93Å; I155-A158 PolarHBondContact O-N 2.98Å; I155-A158 VanDerWaalsContact O-N 3.1Å; I155-Q159 PolarHBondContact O-N 2.81Å
156L89.9Confident92.9Very high35 Ų3572.2 Ų72.218%0.18339%0.389CS..Hα-helixtrans-60.7-40.3178.7-73.9168.8000111.7I11 Q137 L138 V152 E153 A158 Q159I11-L156 HydrophobicContact CG2-CD2 3.58Å; I11-L156 HydrophobicContact CG2-CG 4.08Å; Q137-L156 HydrophobicContact CB-CD1 4.4Å; Q137-L156 HydrophobicContact CB-CD2 4.17Å; Q137-L156 VanDerWaalsContact CD-CD2 3.5Å; Q137-L156 HydrophobicContact CG-CD2 4.45Å; L138-L156 HydrophobicContact CD2-CD1 3.82Å; L138-L156 HydrophobicContact CG-CD1 4.17Å; V152-L156 HydrophobicContact CG1-CD1 4.16Å; V152-L156 HydrophobicContact CG1-CG 4.37Å; V152-L156 WeakPolarHBondContact O-CG 3.42Å; V152-L156 PolarHBondContact O-N 2.87Å; E153-L156 PolarHBondContact O-N 3.02Å; L156-A158 PolarHBondContact O-N 2.97Å; L156-Q159 PolarHBondContact O-N 3.04Å; L156-Q159 VanDerWaalsContact O-N 3.14Å
157A90Very high93.1Very high89 Ų8968.7 Ų68.774%0.73638%0.382SS*.Hα-helixtrans-65.6-2217700000113.6E153 Q154 I155E153-A157 WeakPolarHBondContact O-CB 3.26Å; E153-A157 PolarHBondContact O-N 3.28Å; Q154-A157 PolarHBondContact O-N 3.37Å; I155-A157 VanDerWaalsContact C-N 3.3Å; I155-A157 PolarHBondContact O-N 2.93Å
158A87.4Confident93.4Very high83 Ų8368.3 Ų68.369%0.68638%0.379SS*.THydrogen-bonded Turntrans-86.5-9.8175.800000113.6Q154 I155 L156Q154-A158 PolarHBondContact O-N 3.12Å; I155-A158 PolarHBondContact O-N 2.98Å; I155-A158 VanDerWaalsContact O-N 3.1Å; L156-A158 PolarHBondContact O-N 2.97Å
159Q90.9Very high93.6Very high35 Ų3565.7 Ų65.716%0.16437%0.366CS..SBendtrans-94.3163176.4-63.3-170.4-47.600111.3E117 I155 L156E117-Q159 WeakPolarHBondContact OE1-CA 3.22Å; I155-Q159 PolarHBondContact O-N 2.81Å; L156-Q159 PolarHBondContact O-N 3.04Å; L156-Q159 VanDerWaalsContact O-N 3.14Å
160A92.6Very high93.7Very high16 Ų1664 Ų6413%0.13237%0.366CS..PPolyproline II helixtrans-57.2141.7166.500000110.1V116 E117 A164 R165V116-A160 HydrophobicContact CB-CB 3.75Å; V116-A160 HydrophobicContact CG1-CB 3.72Å; E117-A160 HydrophobicContact CG-CB 4.03Å; E117-A160 PolarHBondContact OE1-N 2.89Å; A160-A164 HydrophobicContact CB-CB 4.35Å; A160-R165 HydrophobicContact CB-CG 4.17Å; A160-R165 PolarHBondContact O-NH1 2.93Å
161T94.5Very high93.9Very high82 Ų8259.7 Ų59.750%0.50335%0.346SS..PPolyproline II helixtrans-60.3158.1178.9800000110.8E163 A164 R165T161-E163 VanDerWaalsContact CB-OE2 3.23Å; T161-E163 WeakPolarHBondContact CB-OE2 3.48Å; T161-E163 PolarHBondContact O-N 3.4Å; T161-E163 PolarHBondContact OG1-N 3.17Å; T161-E163 PolarHBondContact OG1-OE2 3.02Å; T161-A164 PolarHBondContact O-N 3.23Å; T161-A164 VanDerWaalsContact O-N 3.16Å; T161-A164 PolarHBondContact OG1-N 3.31Å; T161-A164 VanDerWaalsContact OG1-N 3.12Å; T161-R165 PolarHBondContact O-N 3.4Å
162R94.3Very high94.3Very high87 Ų8758.6 Ų58.633%0.32835%0.346SS..Hα-helixtrans-56.8-41.9176.7-179.1176.6175.6-137-0.2110.9D131 R165 L166D131-R162 IonicContact OD1-NE 3.15Å; D131-R162 PolarHBondContact OD1-NE 2.96Å; D131-R162 VanDerWaalsContact OD1-NE 3.15Å; D131-R162 IonicContact OD2-CZ 3.19Å; D131-R162 IonicContact OD2-NE 2.85Å; D131-R162 PolarHBondContact OD2-NE 3.4Å; D131-R162 IonicContact OD2-NH2 2.7Å; D131-R162 PolarHBondContact OD2-NH2 3.38Å; R162-R165 PolarHBondContact O-N 3.38Å; R162-L166 HydrophobicContact CG-CD1 3.91Å; R162-L166 HydrophobicContact CG-CG 4.37Å; R162-L166 WeakPolarHBondContact O-CG 3.48Å; R162-L166 PolarHBondContact O-N 3.5Å
163E95.8Very high94.5Very high130 Ų13058.6 Ų58.661%0.60735%0.346SS*.Hα-helixtrans-61-45.7177.5-58.172-155.500111.1T161 R165 L166 A167T161-E163 VanDerWaalsContact CB-OE2 3.23Å; T161-E163 WeakPolarHBondContact CB-OE2 3.48Å; T161-E163 PolarHBondContact O-N 3.4Å; T161-E163 PolarHBondContact OG1-N 3.17Å; T161-E163 PolarHBondContact OG1-OE2 3.02Å; E163-R165 VanDerWaalsContact C-N 3.33Å; E163-R165 PolarHBondContact O-N 3.49Å; E163-L166 PolarHBondContact O-N 3.04Å; E163-A167 VanDerWaalsContact O-CB 3.26Å; E163-A167 WeakPolarHBondContact O-CB 3.39Å; E163-A167 PolarHBondContact O-N 2.89Å
164A96.6Very high94.6Very high36 Ų3659.1 Ų59.130%0.29835%0.351SS..Hα-helixtrans-64.1-37177.600000112.4V116 A160 T161V116-A164 HydrophobicContact CG1-CB 4.33Å; A160-A164 HydrophobicContact CB-CB 4.35Å; T161-A164 PolarHBondContact O-N 3.23Å; T161-A164 VanDerWaalsContact O-N 3.16Å; T161-A164 PolarHBondContact OG1-N 3.31Å; T161-A164 VanDerWaalsContact OG1-N 3.12Å
165R96.6Very high94.8Very high7 Ų753.2 Ų53.23%0.02632%0.324CS..Hα-helixtrans-65.7-48.1173.7-68.1-171.2-59.4-115.74.3112.2V116 A160 T161 R162 E163 A167 V168V116-R165 HydrophobicContact CG2-CB 4.48Å; V116-R165 HydrophobicContact CG2-CG 4.02Å; A160-R165 HydrophobicContact CB-CG 4.17Å; A160-R165 PolarHBondContact O-NH1 2.93Å; T161-R165 PolarHBondContact O-N 3.4Å; R162-R165 PolarHBondContact O-N 3.38Å; E163-R165 VanDerWaalsContact C-N 3.33Å; E163-R165 PolarHBondContact O-N 3.49Å; R165-A167 VanDerWaalsContact C-N 3.28Å; R165-A167 PolarHBondContact O-N 3.22Å; R165-V168 VanDerWaalsContact O-CG2 3.25Å; R165-V168 WeakPolarHBondContact O-CG2 3.44Å; R165-V168 PolarHBondContact O-N 2.95Å
166L97.1Very high94.9Very high58 Ų5853.8 Ų53.830%0.30433%0.328SS..Hα-helixtrans-66.6-31.8179.8-67.7174.1000112.1V129 D131 R162 E163 V168 A169 V172V129-L166 HydrophobicContact CG1-CD2 4.27Å; D131-L166 HydrophobicContact CB-CD2 4.17Å; R162-L166 HydrophobicContact CG-CD1 3.91Å; R162-L166 HydrophobicContact CG-CG 4.37Å; R162-L166 WeakPolarHBondContact O-CG 3.48Å; R162-L166 PolarHBondContact O-N 3.5Å; E163-L166 PolarHBondContact O-N 3.04Å; L166-V168 PolarHBondContact O-N 3.48Å; L166-A169 WeakPolarHBondContact O-CB 3.38Å; L166-A169 PolarHBondContact O-N 3.48Å; L166-A169 VanDerWaalsContact O-N 3.15Å; L166-V172 HydrophobicContact CD2-CG1 4Å; L166-V172 HydrophobicContact CD2-CG2 3.81Å
167A97.5Very high94.6Very high84 Ų8454.3 Ų54.369%0.69434%0.341SS*.Hα-helixtrans-64.7-21.9179.500000114.2E163 R165E163-A167 VanDerWaalsContact O-CB 3.26Å; E163-A167 WeakPolarHBondContact O-CB 3.39Å; E163-A167 PolarHBondContact O-N 2.89Å; R165-A167 VanDerWaalsContact C-N 3.28Å; R165-A167 PolarHBondContact O-N 3.22Å
168V97.4Very high94Very high31 Ų3153 Ų5319%0.18833%0.331CS..THydrogen-bonded Turntrans-101.72.2176.9-56.70000113.2V116 Y121 V127 R165 L166V116-V168 HydrophobicContact CG2-CG2 3.72Å; Y121-V168 HydrophobicContact CD1-CG1 4.1Å; Y121-V168 HydrophobicContact CD2-CB 4.29Å; Y121-V168 HydrophobicContact CD2-CG1 4.15Å; Y121-V168 HydrophobicContact CE1-CG1 4.06Å; Y121-V168 HydrophobicContact CE2-CG1 4.12Å; Y121-V168 HydrophobicContact CG-CB 4.2Å; Y121-V168 HydrophobicContact CG-CG1 4.16Å; V127-V168 VanDerWaalsContact CB-O 3.26Å; V127-V168 WeakPolarHBondContact CB-O 3.31Å; V127-V168 HydrophobicContact CG1-CG2 4.34Å; R165-V168 VanDerWaalsContact O-CG2 3.25Å; R165-V168 WeakPolarHBondContact O-CG2 3.44Å; R165-V168 PolarHBondContact O-N 2.95Å; L166-V168 PolarHBondContact O-N 3.48Å
169A98Very high93.4Very high26 Ų2653.8 Ų53.822%0.21533%0.329CS..  trans-81.3132.3-175.200000111.6V129 L166 V172V129-A169 HydrophobicContact CB-CB 4.06Å; V129-A169 HydrophobicContact CG2-CB 3.53Å; L166-A169 WeakPolarHBondContact O-CB 3.38Å; L166-A169 PolarHBondContact O-N 3.48Å; L166-A169 VanDerWaalsContact O-N 3.15Å; A169-V172 HydrophobicContact CB-CG2 3.8Å
170D98.6Very high92.8Very high83 Ų8358.9 Ų58.944%0.44436%0.357SS..SBendtrans-87.5-31.7164.2-63.7-76.6000111.3R126 V127R126-D170 VanDerWaalsContact CA-OD2 3.27Å; R126-D170 WeakPolarHBondContact CA-OD2 3.45Å; R126-D170 HydrophobicContact CG-CB 3.48Å; R126-D170 VanDerWaalsContact CG-CB 3.48Å; R126-D170 PolarHBondContact NH2-O 3.19Å; V127-D170 PolarHBondContact N-OD2 2.94Å; V127-D170 PolarHBondContact O-N 2.91Å
171D98.4Very high92.4Very high22 Ų2260.3 Ų60.312%0.11837%0.369CS..EExtended strand (participates in β ladder)trans-137.5152.2172.9-51-74.9000110.7R126 V127 L128 V129 L189 Y193R126-D171 IonicContact CZ-OD1 3.37Å; R126-D171 IonicContact CZ-OD2 2.8Å; R126-D171 IonicContact NE-OD1 2.67Å; R126-D171 IonicContact NE-OD2 3.99Å; R126-D171 PolarHBondContact NE-OD2 3.33Å; R126-D171 VanDerWaalsContact NH2-CG 3.28Å; R126-D171 IonicContact NH2-OD1 3.24Å; R126-D171 PolarHBondContact NH2-OD1 3.43Å; R126-D171 IonicContact NH2-OD2 3.72Å; R126-D171 PolarHBondContact NH2-OD2 3.31Å; V127-D171 PolarHBondContact O-N 3.32Å; V127-D171 VanDerWaalsContact O-N 3.11Å; L128-D171 WeakPolarHBondContact CA-O 3.45Å; L128-D171 HydrophobicContact CD1-CB 3.89Å; V129-D171 PolarHBondContact N-O 2.91Å; D171-L189 HydrophobicContact CB-CD2 3.83Å; D171-Y193 WeakPolarHBondContact OD2-CE1 3.49Å; D171-Y193 PolarHBondContact OD2-OH 3.24Å
172V97.7Very high92.3Very high62 Ų6257 Ų5738%0.37635%0.348SS..EExtended strand (participates in β ladder)trans-129.2132.4176.7-1760000109.2V129 D131 L166 A169V129-V172 CarbonylContact O-C 3.6Å; V129-V172 VanDerWaalsContact O-CA 3.3Å; V129-V172 WeakPolarHBondContact O-CA 3.31Å; D131-V172 HydrophobicContact CB-CG1 3.8Å; L166-V172 HydrophobicContact CD2-CG1 4Å; L166-V172 HydrophobicContact CD2-CG2 3.81Å; A169-V172 HydrophobicContact CB-CG2 3.8Å
173I97.2Very high92.1Very high0 Ų056 Ų560%036%0.359CS..EExtended strand (participates in β ladder)trans-98.7117161.7-69.8168.5000107.2V18 L128 V129 D131 N175 D185 V186 L189V18-I173 HydrophobicContact CG1-CD1 3.73Å; V18-I173 HydrophobicContact CG2-CD1 4.1Å; L128-I173 HydrophobicContact CD1-CD1 4.13Å; L128-I173 HydrophobicContact CD1-CG1 4Å; L128-I173 HydrophobicContact CD2-CD1 4.11Å; V129-I173 PolarHBondContact O-N 3.08Å; D131-I173 PolarHBondContact N-O 3.27Å; I173-N175 PolarHBondContact O-N 2.99Å; I173-D185 HydrophobicContact CD1-CB 4.45Å; I173-D185 HydrophobicContact CG1-CB 4.12Å; I173-D185 HydrophobicContact CG2-CB 4.47Å; I173-V186 HydrophobicContact CD1-CG2 4.16Å; I173-L189 HydrophobicContact CD1-CD1 3.74Å; I173-L189 HydrophobicContact CG1-CD1 3.6Å
174D95.3Very high92Very high95 Ų9554 Ų5451%0.50836%0.359SS..EExtended strand (participates in β ladder)trans-80.8106.3169.9-176.5-12.3000109.3N176D174-N176 VanDerWaalsContact OD1-CB 3.24Å; D174-N176 WeakPolarHBondContact OD1-CB 3.37Å; D174-N176 PolarHBondContact OD1-N 2.94Å; D174-N176 PolarHBondContact OD1-ND2 2.78Å
175N95.5Very high92Very high8 Ų854.1 Ų54.14%0.04335%0.354CS..THydrogen-bonded Turntrans-10027.8-179.1-167.622.5000113.1S13 V130 D131 V132 R140 I173 G177 I182S13-N175 PolarHBondContact O-ND2 2.64Å; V130-N175 HydrophobicContact CG1-CB 3.91Å; D131-N175 PolarHBondContact O-N 2.81Å; V132-N175 HydrophobicContact CG1-CB 3.75Å; V132-N175 WeakPolarHBondContact CG1-O 3.43Å; R140-N175 PolarHBondContact NH1-ND2 3.09Å; R140-N175 VanDerWaalsContact NH1-ND2 3.14Å; R140-N175 PolarHBondContact NH1-O 3.46Å; R140-N175 PolarHBondContact NH2-O 2.8Å; I173-N175 PolarHBondContact O-N 2.99Å; N175-G177 VanDerWaalsContact C-N 3.33Å; N175-I182 VanDerWaalsContact OD1-CD1 3.3Å; N175-I182 WeakPolarHBondContact OD1-CD1 3.49Å
176N92.2Very high92Very high61 Ų6153.9 Ų53.933%0.32635%0.353SS..THydrogen-bonded Turntrans-76.6-21.6169.8-71.5-67.6000112.9S133 T136 D174S133-N176 PolarHBondContact N-ND2 3.33Å; S133-N176 PolarHBondContact N-OD1 2.94Å; S133-N176 PolarHBondContact OG-OD1 3.28Å; T136-N176 PolarHBondContact OG1-OD1 3.06Å; D174-N176 VanDerWaalsContact OD1-CB 3.24Å; D174-N176 WeakPolarHBondContact OD1-CB 3.37Å; D174-N176 PolarHBondContact OD1-N 2.94Å; D174-N176 PolarHBondContact OD1-ND2 2.78Å
177G83.4Confident92Very high46 Ų4653.4 Ų53.447%0.47436%0.358SS..SBendtrans-78.6-163.3-175.600000115.3N175N175-G177 VanDerWaalsContact C-N 3.33Å
178A77.9Confident92Very high62 Ų6255.7 Ų55.751%0.51235%0.349SS..  trans-68.1144.6174.900000111D180 A181A178-D180 PolarHBondContact O-N 2.92Å; A178-D180 VanDerWaalsContact O-N 3.08Å; A178-A181 WeakPolarHBondContact O-CB 3.41Å; A178-A181 PolarHBondContact O-N 2.92Å
179P73.6Confident92Very high99 Ų9954.3 Ų54.364%0.64334%0.34SS*.THydrogen-bonded Turntrans-52.3-32.6179.3-28.435.6000114.6A181 I182P179-A181 PolarHBondContact O-N 3.33Å; P179-I182 WeakPolarHBondContact O-CB 3.31Å; P179-I182 WeakPolarHBondContact O-CG1 3.32Å; P179-I182 PolarHBondContact O-N 2.91Å
180D77.7Confident92Very high142 Ų14254.6 Ų54.676%0.75934%0.337SS*.Hα-helixtrans-64.9-22.7-178.9-59.8-20.3000113.3A178 I182A178-D180 PolarHBondContact O-N 2.92Å; A178-D180 VanDerWaalsContact O-N 3.08Å; D180-I182 VanDerWaalsContact C-N 3.26Å; D180-I182 PolarHBondContact O-N 3.15Å
181A85.2Confident92Very high46 Ų4653 Ų5338%0.3834%0.335SS..Hα-helixtrans-66.2-29.6177.100000112.3A178 P179 A183 S184 D185A178-A181 WeakPolarHBondContact O-CB 3.41Å; A178-A181 PolarHBondContact O-N 2.92Å; P179-A181 PolarHBondContact O-N 3.33Å; A181-A183 VanDerWaalsContact C-N 3.3Å; A181-A183 PolarHBondContact O-N 3.18Å; A181-S184 PolarHBondContact O-N 3.14Å; A181-D185 PolarHBondContact O-N 3.42Å; A181-D185 VanDerWaalsContact O-N 3.1Å
182I91.5Very high92Very high12 Ų1254.8 Ų54.86%0.06234%0.343CS..Hα-helixtrans-59.1-42.7-178.4-61.8175000110.8T17 V18 N175 P179 D180 S184 D185 V186T17-I182 HydrophobicContact CG2-CD1 3.87Å; V18-I182 HydrophobicContact CG2-CG2 3.89Å; N175-I182 VanDerWaalsContact OD1-CD1 3.3Å; N175-I182 WeakPolarHBondContact OD1-CD1 3.49Å; P179-I182 WeakPolarHBondContact O-CB 3.31Å; P179-I182 WeakPolarHBondContact O-CG1 3.32Å; P179-I182 PolarHBondContact O-N 2.91Å; D180-I182 VanDerWaalsContact C-N 3.26Å; D180-I182 PolarHBondContact O-N 3.15Å; I182-S184 VanDerWaalsContact C-N 3.32Å; I182-S184 PolarHBondContact O-N 3.48Å; I182-D185 PolarHBondContact O-N 3.01Å; I182-V186 HydrophobicContact CG2-CG2 3.96Å; I182-V186 WeakPolarHBondContact O-CB 3.14Å; I182-V186 WeakPolarHBondContact O-CG2 3.43Å; I182-V186 PolarHBondContact O-N 3.33Å
183A91.4Very high92.1Very high67 Ų6751.9 Ų51.955%0.55433%0.325SS*.Hα-helixtrans-63.1-39.9-177.600000111.9A181 A187A181-A183 VanDerWaalsContact C-N 3.3Å; A181-A183 PolarHBondContact O-N 3.18Å; A183-A187 WeakPolarHBondContact O-CB 3.41Å; A183-A187 PolarHBondContact O-N 3.43Å
184S93.1Very high92.1Very high87 Ų8754.8 Ų54.861%0.60834%0.341SS*.Hα-helixtrans-67.8-44.2177.7-173.50000111.9A181 I182 A187 R188A181-S184 PolarHBondContact O-N 3.14Å; I182-S184 VanDerWaalsContact C-N 3.32Å; I182-S184 PolarHBondContact O-N 3.48Å; S184-A187 PolarHBondContact O-N 2.89Å; S184-R188 PolarHBondContact O-N 3.3Å
185D96Very high92.2Very high38 Ų3855.9 Ų55.920%0.20334%0.343CS..Hα-helixtrans-64.2-43.3177-86.5-37.8000112.5I173 A181 I182 R188 L189I173-D185 HydrophobicContact CD1-CB 4.45Å; I173-D185 HydrophobicContact CG1-CB 4.12Å; I173-D185 HydrophobicContact CG2-CB 4.47Å; A181-D185 PolarHBondContact O-N 3.42Å; A181-D185 VanDerWaalsContact O-N 3.1Å; I182-D185 PolarHBondContact O-N 3.01Å; D185-R188 PolarHBondContact O-N 2.95Å; D185-R188 IonicContact OD1-CZ 3.7Å; D185-R188 IonicContact OD1-NE 3.65Å; D185-R188 IonicContact OD1-NH2 2.86Å; D185-R188 PolarHBondContact OD1-NH2 3.31Å; D185-L189 WeakPolarHBondContact O-CB 3.46Å; D185-L189 WeakPolarHBondContact O-CG 3.22Å; D185-L189 PolarHBondContact O-N 3.47Å
186V97.5Very high92.3Very high2 Ų257 Ų571%0.01235%0.348CS..Hα-helixtrans-62.4-44.1176.6169.30000110.7V18 A21 F22 L25 I173 I182 R188 L189 H190V18-V186 HydrophobicContact CG1-CG2 4.08Å; A21-V186 HydrophobicContact CB-CB 4.26Å; A21-V186 HydrophobicContact CB-CG1 3.9Å; A21-V186 HydrophobicContact CB-CG2 3.98Å; F22-V186 HydrophobicContact CD1-CG1 3.96Å; F22-V186 HydrophobicContact CD2-CG1 3.98Å; F22-V186 HydrophobicContact CD2-CG2 4.37Å; F22-V186 HydrophobicContact CE1-CG1 4.03Å; F22-V186 HydrophobicContact CE2-CG1 4.03Å; F22-V186 HydrophobicContact CE2-CG2 4.09Å; F22-V186 HydrophobicContact CG-CG1 3.94Å; F22-V186 HydrophobicContact CZ-CG1 4.07Å; L25-V186 HydrophobicContact CD1-CG1 3.77Å; I173-V186 HydrophobicContact CD1-CG2 4.16Å; I182-V186 HydrophobicContact CG2-CG2 3.96Å; I182-V186 WeakPolarHBondContact O-CB 3.14Å; I182-V186 WeakPolarHBondContact O-CG2 3.43Å; I182-V186 PolarHBondContact O-N 3.33Å; V186-R188 PolarHBondContact O-N 2.99Å; V186-L189 PolarHBondContact O-N 3.17Å; V186-H190 WeakPolarHBondContact O-CB 3.46Å; V186-H190 PolarHBondContact O-N 2.98Å
187A96.6Very high92.6Very high49 Ų4954.2 Ų54.241%0.40533%0.334SS..Hα-helixtrans-61.7-43.5177.300000112.3A183 S184 H190 A191A183-A187 WeakPolarHBondContact O-CB 3.41Å; A183-A187 PolarHBondContact O-N 3.43Å; S184-A187 PolarHBondContact O-N 2.89Å; A187-H190 PolarHBondContact O-N 3.5Å; A187-A191 PolarHBondContact O-N 3.15Å; A187-A191 VanDerWaalsContact O-N 3.09Å
188R97.3Very high93.1Very high132 Ų13255.2 Ų55.250%0.49833%0.334SS..Hα-helixtrans-62.4-47.7176.8179.4-17957.774.11.3111.7S184 D185 V186 A191 H192S184-R188 PolarHBondContact O-N 3.3Å; D185-R188 PolarHBondContact O-N 2.95Å; D185-R188 IonicContact OD1-CZ 3.7Å; D185-R188 IonicContact OD1-NE 3.65Å; D185-R188 IonicContact OD1-NH2 2.86Å; D185-R188 PolarHBondContact OD1-NH2 3.31Å; V186-R188 PolarHBondContact O-N 2.99Å; R188-A191 PolarHBondContact O-N 3.42Å; R188-H192 PolarHBondContact O-N 3.01Å
189L98.5Very high93.9Very high1 Ų157.4 Ų57.41%0.00533%0.333CS..Hα-helixtrans-68.6-37.3179.6-72.4171.5000112F22 L128 D171 I173 D185 V186 A191 H192 Y193F22-L189 HydrophobicContact CZ-CB 4.06Å; L128-L189 HydrophobicContact CD1-CD1 3.72Å; L128-L189 HydrophobicContact CD2-CD1 4.16Å; D171-L189 HydrophobicContact CB-CD2 3.83Å; I173-L189 HydrophobicContact CD1-CD1 3.74Å; I173-L189 HydrophobicContact CG1-CD1 3.6Å; D185-L189 WeakPolarHBondContact O-CB 3.46Å; D185-L189 WeakPolarHBondContact O-CG 3.22Å; D185-L189 PolarHBondContact O-N 3.47Å; V186-L189 PolarHBondContact O-N 3.17Å; L189-A191 PolarHBondContact O-N 3.39Å; L189-H192 WeakPolarHBondContact O-CB 3.35Å; L189-H192 PolarHBondContact O-N 2.92Å; L189-Y193 HydrophobicContact CB-CD2 4.46Å; L189-Y193 HydrophobicContact CB-CE2 3.91Å; L189-Y193 HydrophobicContact CD2-CE1 4.46Å; L189-Y193 WeakPolarHBondContact O-CB 3.43Å; L189-Y193 VanDerWaalsContact O-CD2 3.28Å; L189-Y193 WeakPolarHBondContact O-CD2 3.41Å; L189-Y193 PolarHBondContact O-N 3.38Å
190H98.6Very high94.9Very high32 Ų3254.5 Ų54.515%0.14831%0.311CS..Hα-helixtrans-57.3-49.2173.3174.165000111.6F22 L25 Y107 V186 A187 H192 Y193 L194F22-H190 HydrophobicContact CD1-CB 4.3Å; F22-H190 HydrophobicContact CE1-CB 3.87Å; L25-H190 HydrophobicContact CD1-CB 3.77Å; Y107-H190 AromaticContact CE1-ND1 3.7Å; Y107-H190 AromaticContact CZ-ND1 3.75Å; Y107-H190 PolarHBondContact OH-ND1 3.39Å; V186-H190 WeakPolarHBondContact O-CB 3.46Å; V186-H190 PolarHBondContact O-N 2.98Å; A187-H190 PolarHBondContact O-N 3.5Å; H190-H192 VanDerWaalsContact C-N 3.29Å; H190-H192 PolarHBondContact O-N 3.49Å; H190-Y193 PolarHBondContact O-N 2.95Å; H190-L194 WeakPolarHBondContact O-CG 3.32Å; H190-L194 PolarHBondContact O-N 3.34Å
191A98.3Very high95.4Very high49 Ų4950.6 Ų50.641%0.40529%0.292SS..Hα-helixtrans-58.9-40.6176.500000112.2A187 R188 L189 Q195A187-A191 PolarHBondContact O-N 3.15Å; A187-A191 VanDerWaalsContact O-N 3.09Å; R188-A191 PolarHBondContact O-N 3.42Å; L189-A191 PolarHBondContact O-N 3.39Å; A191-Q195 WeakPolarHBondContact O-CG 2.9Å; A191-Q195 PolarHBondContact O-N 3.17Å
192H98.5Very high95.3Very high61 Ų6152.4 Ų52.428%0.28230%0.302SS..Hα-helixtrans-64.3-45175.2-176.9-151.4000112.1R126 R188 L189 H190 L194 Q195 L196R126-H192 PolarHBondContact NH2-CE1 3.18Å; R188-H192 PolarHBondContact O-N 3.01Å; L189-H192 WeakPolarHBondContact O-CB 3.35Å; L189-H192 PolarHBondContact O-N 2.92Å; H190-H192 VanDerWaalsContact C-N 3.29Å; H190-H192 PolarHBondContact O-N 3.49Å; H192-L194 PolarHBondContact O-N 2.94Å; H192-Q195 WeakPolarHBondContact O-CB 3.25Å; H192-Q195 PolarHBondContact O-N 3.45Å; H192-Q195 VanDerWaalsContact O-N 3.16Å; H192-L196 PolarHBondContact O-N 3.16Å
193Y98.6Very high94.6Very high0 Ų059.5 Ų59.50%033%0.334CS..Hα-helixtrans-68.3-32.2-179.9-60.9-23000113V5 F22 Y107 R126 L128 D171 L189 H190 Q195 L196 A197V5-Y193 HydrophobicContact CB-CE2 4.5Å; V5-Y193 HydrophobicContact CG1-CD2 4.28Å; V5-Y193 HydrophobicContact CG1-CE2 3.75Å; V5-Y193 HydrophobicContact CG2-CD1 4.2Å; V5-Y193 HydrophobicContact CG2-CD2 3.92Å; V5-Y193 HydrophobicContact CG2-CE1 4.49Å; V5-Y193 HydrophobicContact CG2-CE2 4.2Å; V5-Y193 HydrophobicContact CG2-CG 3.91Å; F22-Y193 HydrophobicContact CE1-CD2 4.03Å; F22-Y193 HydrophobicContact CE1-CE2 4.19Å; F22-Y193 HydrophobicContact CZ-CD2 4.15Å; F22-Y193 AromaticContact CZ-CE2 3.83Å; F22-Y193 HydrophobicContact CZ-CE2 3.83Å; Y107-Y193 AromaticContact CE2-CD2 3.98Å; Y107-Y193 HydrophobicContact CE2-CD2 3.98Å; Y107-Y193 HydrophobicContact CE2-CG 4.45Å; Y107-Y193 AromaticContact CZ-CD2 3.97Å; R126-Y193 HydrophobicContact CG-CE1 4.36Å; L128-Y193 HydrophobicContact CD2-CE2 4.27Å; D171-Y193 WeakPolarHBondContact OD2-CE1 3.49Å; D171-Y193 PolarHBondContact OD2-OH 3.24Å; L189-Y193 HydrophobicContact CB-CD2 4.46Å; L189-Y193 HydrophobicContact CB-CE2 3.91Å; L189-Y193 HydrophobicContact CD2-CE1 4.46Å; L189-Y193 WeakPolarHBondContact O-CB 3.43Å; L189-Y193 VanDerWaalsContact O-CD2 3.28Å; L189-Y193 WeakPolarHBondContact O-CD2 3.41Å; L189-Y193 PolarHBondContact O-N 3.38Å; H190-Y193 PolarHBondContact O-N 2.95Å; Y193-Q195 VanDerWaalsContact C-N 3.32Å; Y193-Q195 PolarHBondContact O-N 3.49Å; Y193-L196 HydrophobicContact CD1-CD1 4.28Å; Y193-L196 PolarHBondContact O-N 3.07Å; Y193-A197 WeakPolarHBondContact O-CB 3.31Å; Y193-A197 PolarHBondContact O-N 3.04Å
194L98.1Very high93.7Very high62 Ų6259.9 Ų59.933%0.32533%0.325SS..Hα-helixtrans-59.7-43.7169.9-71.8177.8000111.7P106 Y107 H190 H192 S198P106-L194 HydrophobicContact CB-CD2 3.7Å; P106-L194 HydrophobicContact CG-CD2 3.75Å; Y107-L194 HydrophobicContact CD1-CD2 4.27Å; Y107-L194 HydrophobicContact CE1-CD2 4.14Å; Y107-L194 HydrophobicContact CE1-CG 4.38Å; H190-L194 WeakPolarHBondContact O-CG 3.32Å; H190-L194 PolarHBondContact O-N 3.34Å; H192-L194 PolarHBondContact O-N 2.94Å; L194-S198 WeakPolarHBondContact O-CB 3.41Å; L194-S198 PolarHBondContact O-N 3.5Å; L194-S198 PolarHBondContact O-OG 3.14Å
195Q97.5Very high91.9Very high118 Ų11862.8 Ų62.855%0.55133%0.326SS*.Hα-helixtrans-62.9-50.6176.7-67.2174.1-5.300111.2A191 H192 Y193 A197 S198 Q199A191-Q195 WeakPolarHBondContact O-CG 2.9Å; A191-Q195 PolarHBondContact O-N 3.17Å; H192-Q195 WeakPolarHBondContact O-CB 3.25Å; H192-Q195 PolarHBondContact O-N 3.45Å; H192-Q195 VanDerWaalsContact O-N 3.16Å; Y193-Q195 VanDerWaalsContact C-N 3.32Å; Y193-Q195 PolarHBondContact O-N 3.49Å; Q195-A197 VanDerWaalsContact C-N 3.35Å; Q195-A197 PolarHBondContact O-N 2.91Å; Q195-S198 PolarHBondContact O-N 3.2Å; Q195-S198 PolarHBondContact O-OG 3.4Å; Q195-Q199 WeakPolarHBondContact O-CG 3.16Å; Q195-Q199 PolarHBondContact O-N 3.44Å
196L97.6Very high89.6Confident31 Ų3170.5 Ų70.516%0.16238%0.379CS..Hα-helixtrans-61-42.6179.5-64.7177.1000112.2Y3 H192 Y193 S198 Q199 F200Y3-L196 HydrophobicContact CE1-CB 4.03Å; Y3-L196 HydrophobicContact CE1-CD1 4.49Å; Y3-L196 HydrophobicContact CE2-CB 4.1Å; Y3-L196 WeakPolarHBondContact OH-CD1 3.49Å; H192-L196 PolarHBondContact O-N 3.16Å; Y193-L196 HydrophobicContact CD1-CD1 4.28Å; Y193-L196 PolarHBondContact O-N 3.07Å; L196-S198 PolarHBondContact O-N 3.24Å; L196-Q199 PolarHBondContact O-N 3.37Å; L196-F200 WeakPolarHBondContact O-CB 3.31Å; L196-F200 PolarHBondContact O-N 2.95Å
197A97.3Very high89.2Confident2 Ų273.9 Ų73.92%0.01740%0.397CS..Hα-helixtrans-64-41.6177.900000112.1Y3 P106 Y193 Q195 Q199 F200 V201Y3-A197 HydrophobicContact CD1-CB 4.35Å; Y3-A197 HydrophobicContact CG-CB 4.07Å; P106-A197 WeakPolarHBondContact O-CB 3.41Å; Y193-A197 WeakPolarHBondContact O-CB 3.31Å; Y193-A197 PolarHBondContact O-N 3.04Å; Q195-A197 VanDerWaalsContact C-N 3.35Å; Q195-A197 PolarHBondContact O-N 2.91Å; A197-Q199 VanDerWaalsContact C-N 3.34Å; A197-Q199 PolarHBondContact O-N 3.08Å; A197-F200 PolarHBondContact O-N 2.84Å; A197-V201 WeakPolarHBondContact O-CG2 3.37Å; A197-V201 PolarHBondContact O-N 2.88Å; A197-V201 VanDerWaalsContact O-N 3.07Å
198S95.5Very high88.8Confident68 Ų6875.2 Ų75.248%0.47640%0.396SS..Hα-helixtrans-62.2-40.8175.375.10000112.6L194 Q195 L196 V201 S202L194-S198 WeakPolarHBondContact O-CB 3.41Å; L194-S198 PolarHBondContact O-N 3.5Å; L194-S198 PolarHBondContact O-OG 3.14Å; Q195-S198 PolarHBondContact O-N 3.2Å; Q195-S198 PolarHBondContact O-OG 3.4Å; L196-S198 PolarHBondContact O-N 3.24Å; S198-V201 PolarHBondContact O-N 2.9Å; S198-S202 PolarHBondContact O-N 3.46Å; S198-S202 VanDerWaalsContact O-N 3.11Å; S198-S202 PolarHBondContact O-OG 3.3Å
199Q94.5Very high88.3Confident107 Ų10772.1 Ų72.150%0.539%0.391SS..Hα-helixtrans-66.7-40.8177.7-70.7172.20.400111.5Q195 L196 A197 S202 Q203Q195-Q199 WeakPolarHBondContact O-CG 3.16Å; Q195-Q199 PolarHBondContact O-N 3.44Å; L196-Q199 PolarHBondContact O-N 3.37Å; A197-Q199 VanDerWaalsContact C-N 3.34Å; A197-Q199 PolarHBondContact O-N 3.08Å; Q199-S202 PolarHBondContact O-N 3.47Å; Q199-Q203 WeakPolarHBondContact O-CG 3.49Å; Q199-Q203 PolarHBondContact O-N 3.43Å
200F93.8Very high87.8Confident39 Ų3976.2 Ų76.217%0.17141%0.413CS..Hα-helixtrans-61.1-45.7177.1-178.6-102.7000112M1 Y3 L196 A197 S202 Q203 E204M1-F200 HydrophobicContact CB-CE1 3.97Å; M1-F200 HydrophobicContact CB-CZ 4.12Å; Y3-F200 HydrophobicContact CD2-CB 3.59Å; Y3-F200 HydrophobicContact CD2-CD1 4.16Å; Y3-F200 HydrophobicContact CD2-CD2 4.15Å; Y3-F200 AromaticContact CD2-CG 3.71Å; Y3-F200 HydrophobicContact CD2-CG 3.71Å; Y3-F200 HydrophobicContact CE2-CB 4.26Å; L196-F200 WeakPolarHBondContact O-CB 3.31Å; L196-F200 PolarHBondContact O-N 2.95Å; A197-F200 PolarHBondContact O-N 2.84Å; F200-S202 VanDerWaalsContact C-N 3.31Å; F200-S202 PolarHBondContact O-N 3.04Å; F200-Q203 PolarHBondContact O-N 3.01Å; F200-E204 WeakPolarHBondContact CZ-OE1 3.38Å; F200-E204 PolarHBondContact O-N 3.3Å
201V88Confident87.1Confident60 Ų6079 Ų7936%0.36443%0.43SS..Hα-helixtrans-64.3-35.8176.1173.40000111.9A197 S198 E204A197-V201 WeakPolarHBondContact O-CG2 3.37Å; A197-V201 PolarHBondContact O-N 2.88Å; A197-V201 VanDerWaalsContact O-N 3.07Å; S198-V201 PolarHBondContact O-N 2.9Å; V201-E204 PolarHBondContact O-N 3.36Å
202S83.7Confident86.3Confident84 Ų8481 Ų8159%0.58743%0.432SS*.Hα-helixtrans-69.2-30.8176.9-73.20000113.3S198 Q199 F200 E204S198-S202 PolarHBondContact O-N 3.46Å; S198-S202 VanDerWaalsContact O-N 3.11Å; S198-S202 PolarHBondContact O-OG 3.3Å; Q199-S202 PolarHBondContact O-N 3.47Å; F200-S202 VanDerWaalsContact C-N 3.31Å; F200-S202 PolarHBondContact O-N 3.04Å; S202-E204 VanDerWaalsContact C-N 3.34Å
203Q77.5Confident85.5Confident160 Ų16082.4 Ų82.475%0.74844%0.442SS*.Hα-helixtrans-75.4-21.8176.9-70.9175.91.900113.2Q199 F200Q199-Q203 WeakPolarHBondContact O-CG 3.49Å; Q199-Q203 PolarHBondContact O-N 3.43Å; F200-Q203 PolarHBondContact O-N 3.01Å
204E72.1Confident84.4Confident75 Ų7588.8 Ų88.835%0.3548%0.476SS..THydrogen-bonded Turntrans-86.4-10.3176.8-71.5-172.2150.700114M1 F200 V201 S202M1-E204 WeakPolarHBondContact CB-OE1 3.36Å; M1-E204 VanDerWaalsContact CG-OE1 3.23Å; M1-E204 WeakPolarHBondContact CG-OE1 3.48Å; M1-E204 PolarHBondContact N-OE1 3.01Å; M1-E204 PolarHBondContact N-OE2 3.31Å; F200-E204 WeakPolarHBondContact CZ-OE1 3.38Å; F200-E204 PolarHBondContact O-N 3.3Å; V201-E204 PolarHBondContact O-N 3.36Å; S202-E204 VanDerWaalsContact C-N 3.34Å
205K55.7Low83.3Confident148 Ų14891 Ų9164%0.64349%0.489SS*.  trans-83122.5175.5-73.2-179.7-1781790109
206P46.8Very low82Confident200 Ų20088.5 Ų88.5100%1.29948%0.483SS*.  trans-630176.826.9-33.4000112.6

Retrieved 206 of 206 residues in 625.1 ms (Link to these results)

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