A0A077ZHK4_TRITR Loading...

Conjugal transfer protein

AlphaFold DB , UniProt , Accession A0A077ZHK4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 251 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
1M39Very low65.8Low238 Ų238129.5 Ų129.5100%1.17274%0.74SS**  0103.30-65.3-152.7-74.400107.6G3M1-G3 VanDerWaalsContact C-N 3.32Å; M1-G3 PolarHBondContact O-N 2.9Å
2A46.7Very low66.2Low107 Ų107122.3 Ų122.388%0.88471%0.708SS**  trans-70.898.8167.300000105.7N4A2-N4 PolarHBondContact O-N 2.82Å
3G52.5Low66.7Low59 Ų59125.4 Ų125.461%0.60870%0.701SS**  trans-57.5129.1-174.900000109.8M1 L5M1-G3 VanDerWaalsContact C-N 3.32Å; M1-G3 PolarHBondContact O-N 2.9Å; G3-L5 PolarHBondContact O-N 2.75Å
4N59.4Low67Low170 Ų170125.3 Ų125.391%0.90970%0.697SS**  trans-57.989164.6-94.3-2.7000107.8A2A2-N4 PolarHBondContact O-N 2.82Å
5L68.4Low66.2Low154 Ų154123.2 Ų123.281%0.80669%0.689SS**PPolyproline II helixtrans-67133.4166.4-72.8169000107.2G3G3-L5 PolarHBondContact O-N 2.75Å
6P71.5Confident65.3Low111 Ų111122.1 Ų122.172%0.72169%0.689SS**PPolyproline II helixtrans-59.1144.617524.5-31.8000109.3
7P74.5Confident64.6Low109 Ų109122.8 Ų122.871%0.70870%0.697SS**PPolyproline II helixtrans-53149.8173.3-22.231.6000110.6
8P75.5Confident63.8Low79 Ų79123.6 Ų123.651%0.51370%0.699SS.*PPolyproline II helixtrans-53.1152175.5-21.130.9000111.6A12 W13P8-A12 HydrophobicContact CB-CB 3.54Å; P8-W13 HydrophobicContact CB-CZ2 4.21Å; P8-W13 WeakPolarHBondContact O-CH2 3.38Å; P8-W13 VanDerWaalsContact O-CZ2 3.29Å; P8-W13 WeakPolarHBondContact O-CZ2 3.31Å
9D82.9Confident63.1Low95 Ų95121.7 Ų121.751%0.50869%0.687SS.*  trans-80.8174174.676.12.1000111.8R11 A12D9-R11 PolarHBondContact O-N 2.85Å; D9-R11 VanDerWaalsContact O-N 3.15Å; D9-R11 WeakPolarHBondContact OD1-CB 3.3Å; D9-R11 PolarHBondContact OD1-N 2.69Å; D9-R11 VanDerWaalsContact OD1-N 3.08Å; D9-A12 WeakPolarHBondContact O-CB 3.44Å; D9-A12 PolarHBondContact O-N 2.82Å; D9-A12 PolarHBondContact OD1-N 3.39Å
10L80.7Confident62.7Low113 Ų113122.6 Ų122.659%0.59269%0.685SS**Hα-helixtrans-57.6-30.5-178.8-177.462.2000113.5A12 W13 L14L10-A12 VanDerWaalsContact C-N 3.29Å; L10-A12 PolarHBondContact O-N 2.74Å; L10-W13 HydrophobicContact CB-CE3 4.44Å; L10-W13 HydrophobicContact CD1-CE3 4.08Å; L10-W13 PolarHBondContact O-N 2.71Å; L10-W13 VanDerWaalsContact O-N 3.14Å; L10-L14 HydrophobicContact CD1-CD1 4.32Å; L10-L14 HydrophobicContact CD1-CG 4.12Å; L10-L14 HydrophobicContact CD2-CD1 4.02Å; L10-L14 HydrophobicContact CG-CD1 3.67Å; L10-L14 HydrophobicContact CG-CG 3.96Å; L10-L14 VanDerWaalsContact O-CG 3.32Å; L10-L14 WeakPolarHBondContact O-CG 3.42Å; L10-L14 PolarHBondContact O-N 2.86Å
11R72.5Confident62.6Low189 Ų189124.5 Ų124.571%0.71369%0.694SS**Hα-helixtrans-64.2-38178.7-69.8178.2173.5169-1.5110.9D9 W13 L14 T15D9-R11 PolarHBondContact O-N 2.85Å; D9-R11 VanDerWaalsContact O-N 3.15Å; D9-R11 WeakPolarHBondContact OD1-CB 3.3Å; D9-R11 PolarHBondContact OD1-N 2.69Å; D9-R11 VanDerWaalsContact OD1-N 3.08Å; R11-W13 PolarHBondContact O-N 3.06Å; R11-L14 PolarHBondContact O-N 3.4Å; R11-L14 VanDerWaalsContact O-N 3.12Å; R11-T15 PolarHBondContact O-N 3.06Å; R11-T15 PolarHBondContact O-OG1 2.86Å
12A70.6Confident64Low44 Ų44115.4 Ų115.436%0.36465%0.65SS.*Hα-helixtrans-60.8-25176.200000113.9P8 D9 L10 T15P8-A12 HydrophobicContact CB-CB 3.54Å; D9-A12 WeakPolarHBondContact O-CB 3.44Å; D9-A12 PolarHBondContact O-N 2.82Å; D9-A12 PolarHBondContact OD1-N 3.39Å; L10-A12 VanDerWaalsContact C-N 3.29Å; L10-A12 PolarHBondContact O-N 2.74Å; A12-T15 VanDerWaalsContact O-O 3.14Å
13W73Confident65.4Low162 Ų162114 Ų11461%0.61465%0.646SS**Hα-helixtrans-93.4-25.9174.1-57.2-55.2000113.4P8 L10 R11P8-W13 HydrophobicContact CB-CZ2 4.21Å; P8-W13 WeakPolarHBondContact O-CH2 3.38Å; P8-W13 VanDerWaalsContact O-CZ2 3.29Å; P8-W13 WeakPolarHBondContact O-CZ2 3.31Å; L10-W13 HydrophobicContact CB-CE3 4.44Å; L10-W13 HydrophobicContact CD1-CE3 4.08Å; L10-W13 PolarHBondContact O-N 2.71Å; L10-W13 VanDerWaalsContact O-N 3.14Å; R11-W13 PolarHBondContact O-N 3.06Å
14L71.1Confident66.8Low124 Ų124111.7 Ų111.765%0.64962%0.62SS**Hα-helixtrans-82.1-28.1178.9-71.7175.8000113.6L10 R11 P16L10-L14 HydrophobicContact CD1-CD1 4.32Å; L10-L14 HydrophobicContact CD1-CG 4.12Å; L10-L14 HydrophobicContact CD2-CD1 4.02Å; L10-L14 HydrophobicContact CG-CD1 3.67Å; L10-L14 HydrophobicContact CG-CG 3.96Å; L10-L14 VanDerWaalsContact O-CG 3.32Å; L10-L14 WeakPolarHBondContact O-CG 3.42Å; L10-L14 PolarHBondContact O-N 2.86Å; R11-L14 PolarHBondContact O-N 3.4Å; R11-L14 VanDerWaalsContact O-N 3.12Å; L14-P16 VanDerWaalsContact O-CD 3.27Å; L14-P16 WeakPolarHBondContact O-CD 3.47Å
15T55.1Low68.2Low94 Ų94107 Ų10758%0.57760%0.6SS**SBendtrans-98.394.5159.140.40000106.9R11 A12 T17R11-T15 PolarHBondContact O-N 3.06Å; R11-T15 PolarHBondContact O-OG1 2.86Å; A12-T15 VanDerWaalsContact O-O 3.14Å; T15-T17 PolarHBondContact O-N 2.89Å
16P51.9Low69.2Low105 Ų105103.9 Ų103.968%0.68258%0.584SS**  trans-48.9120.1158.6-16.127.6000105.1L14 D18L14-P16 VanDerWaalsContact O-CD 3.27Å; L14-P16 WeakPolarHBondContact O-CD 3.47Å; P16-D18 PolarHBondContact O-N 2.89Å
17T52.4Low70Confident135 Ų135103.2 Ų103.283%0.82858%0.578SS**  trans-53118.2179.2-200000105.6T15 N19T15-T17 PolarHBondContact O-N 2.89Å; T17-N19 PolarHBondContact O-N 2.94Å
18D51.2Low70.8Confident136 Ų136100 Ų10073%0.72755%0.552SS**  trans-37120.5-164.6-146.4-2.9000110.4P16 Q20P16-D18 PolarHBondContact O-N 2.89Å; D18-Q20 PolarHBondContact O-N 3.37Å
19N50.4Low71.5Confident88 Ų8898.4 Ų98.447%0.47154%0.536SS..  trans-42.9115.9163.4-91.3-29.7000105.6T17 D21 D26T17-N19 PolarHBondContact O-N 2.94Å; N19-D21 PolarHBondContact O-N 3.13Å; N19-D26 PolarHBondContact OD1-OD1 2.92Å
20Q55.2Low72Confident139 Ų13999.8 Ų99.865%0.6554%0.539SS*.  trans-42.2120.1175.3-68.8179.30.200106.6D18 D22 R29D18-Q20 PolarHBondContact O-N 3.37Å; Q20-D22 PolarHBondContact O-N 3.27Å; Q20-R29 PolarHBondContact O-NH2 2.71Å
21D59.5Low72.6Confident164 Ų16499.2 Ų99.288%0.87754%0.535SS*.SBendtrans-72.848.1-165.5-157.917.9000110.8N19N19-D21 PolarHBondContact O-N 3.13Å
22D68.5Low73.5Confident46 Ų4690.2 Ų90.225%0.24650%0.501CS..SBendtrans-99.4-1.5-175.468.64.4000112.2Q20 I24 R29 A145Q20-D22 PolarHBondContact O-N 3.27Å; D22-I24 HydrophobicContact CB-CD1 4.49Å; D22-I24 HydrophobicContact CB-CG1 4.37Å; D22-I24 PolarHBondContact O-N 3.27Å; D22-I24 VanDerWaalsContact OD1-CB 3.29Å; D22-I24 WeakPolarHBondContact OD1-CB 3.36Å; D22-I24 WeakPolarHBondContact OD1-CG1 3.33Å; D22-I24 PolarHBondContact OD1-N 2.9Å; D22-I24 WeakPolarHBondContact OD2-CD1 2.93Å; D22-R29 IonicContact OD1-NH2 2.82Å; D22-R29 PolarHBondContact OD1-NH2 2.84Å; D22-R29 VanDerWaalsContact OD1-NH2 3.11Å; D22-R29 IonicContact OD2-NH2 3.92Å; D22-A145 HydrophobicContact CB-CB 3.95Å
23G77.5Confident74.7Confident79 Ų7990 Ų9081%0.81450%0.495SS*.SBendtrans72.77.5-179.400000114.6
24I81.4Confident75.7Confident9 Ų986.1 Ų86.15%0.04649%0.487CS..  trans-90.1121.3-179.3-51.1175.9000109.5D22 R28 R29 A145 Q146 L149D22-I24 HydrophobicContact CB-CD1 4.49Å; D22-I24 HydrophobicContact CB-CG1 4.37Å; D22-I24 PolarHBondContact O-N 3.27Å; D22-I24 VanDerWaalsContact OD1-CB 3.29Å; D22-I24 WeakPolarHBondContact OD1-CB 3.36Å; D22-I24 WeakPolarHBondContact OD1-CG1 3.33Å; D22-I24 PolarHBondContact OD1-N 2.9Å; D22-I24 WeakPolarHBondContact OD2-CD1 2.93Å; I24-R28 HydrophobicContact CG2-CB 3.92Å; I24-R28 HydrophobicContact CG2-CG 4.03Å; I24-R29 HydrophobicContact CG2-CB 3.92Å; I24-A145 HydrophobicContact CD1-CB 3.94Å; I24-A145 HydrophobicContact CG1-CB 4.45Å; I24-Q146 HydrophobicContact CD1-CB 4.3Å; I24-Q146 HydrophobicContact CD1-CG 3.66Å; I24-Q146 HydrophobicContact CG1-CG 3.84Å; I24-Q146 HydrophobicContact CG2-CG 4.48Å; I24-L149 HydrophobicContact CD1-CD2 4.47Å
25S88.2Confident76.8Confident71 Ų7180.6 Ų80.650%0.49746%0.459SS..  trans-62.9147.9172.570.20000111.6T27 R28 R29S25-T27 VanDerWaalsContact C-N 3.26Å; S25-T27 PolarHBondContact O-N 2.9Å; S25-R28 WeakPolarHBondContact O-CA 3.38Å; S25-R28 WeakPolarHBondContact O-CB 3.34Å; S25-R28 PolarHBondContact O-N 2.94Å; S25-R28 VanDerWaalsContact OG-CB 3.27Å; S25-R28 WeakPolarHBondContact OG-CB 3.12Å; S25-R28 PolarHBondContact OG-N 2.93Å; S25-R29 WeakPolarHBondContact O-CB 3.4Å; S25-R29 PolarHBondContact O-N 3.1Å
26D88.9Confident78.7Confident89 Ų8976.1 Ų76.148%0.47643%0.431SS..Hα-helixtrans-56.4-39.9-179.4-70.7-40000112.9N19 R28 R29 Q30N19-D26 PolarHBondContact OD1-OD1 2.92Å; D26-R28 PolarHBondContact O-N 3.07Å; D26-R29 WeakPolarHBondContact O-CB 3.48Å; D26-R29 PolarHBondContact O-N 2.96Å; D26-R29 IonicContact OD1-CZ 3.26Å; D26-R29 IonicContact OD1-NH1 2.88Å; D26-R29 PolarHBondContact OD1-NH1 3.42Å; D26-Q30 WeakPolarHBondContact O-CB 3.27Å; D26-Q30 PolarHBondContact O-N 3.45Å
27T89Confident80.8Confident97 Ų9775.9 Ų75.960%0.59542%0.417SS*.Hα-helixtrans-60.3-45.5174.2-49.90000111.5S25 Q30 M31S25-T27 VanDerWaalsContact C-N 3.26Å; S25-T27 PolarHBondContact O-N 2.9Å; T27-Q30 PolarHBondContact O-N 3.32Å; T27-M31 HydrophobicContact CG2-SD 4.21Å; T27-M31 WeakPolarHBondContact O-CB 3.49Å; T27-M31 VanDerWaalsContact O-CG 3.22Å; T27-M31 WeakPolarHBondContact O-CG 3.33Å; T27-M31 PolarHBondContact O-N 2.99Å
28R90.5Very high82.8Confident43 Ų4372 Ų7216%0.16239%0.393CS..Hα-helixtrans-67.2-39.5179.2-172.566.2172.5108.7-3.1111.3I24 S25 D26 M31 L32 V139 V140 E142I24-R28 HydrophobicContact CG2-CB 3.92Å; I24-R28 HydrophobicContact CG2-CG 4.03Å; S25-R28 WeakPolarHBondContact O-CA 3.38Å; S25-R28 WeakPolarHBondContact O-CB 3.34Å; S25-R28 PolarHBondContact O-N 2.94Å; S25-R28 VanDerWaalsContact OG-CB 3.27Å; S25-R28 WeakPolarHBondContact OG-CB 3.12Å; S25-R28 PolarHBondContact OG-N 2.93Å; D26-R28 PolarHBondContact O-N 3.07Å; R28-M31 PolarHBondContact O-N 2.81Å; R28-L32 HydrophobicContact CG-CD1 4.08Å; R28-L32 WeakPolarHBondContact O-CB 3.31Å; R28-L32 WeakPolarHBondContact O-CG 3.42Å; R28-L32 PolarHBondContact O-N 3.03Å; R28-V139 VanDerWaalsContact NH1-CG1 3.3Å; R28-V140 PolarHBondContact NH2-O 3.45Å; R28-E142 IonicContact CZ-OE1 3.29Å; R28-E142 IonicContact NE-OE1 2.76Å; R28-E142 PolarHBondContact NE-OE1 2.96Å; R28-E142 IonicContact NH2-OE1 2.73Å; R28-E142 PolarHBondContact NH2-OE1 3.32Å
29R91.9Very high84.9Confident44 Ų4468.7 Ų68.717%0.16638%0.375CS..Hα-helixtrans-60-49175.5179.3-179.1-68.4144.8-3.5110.8Q20 D22 I24 S25 D26 L32 T33 L149Q20-R29 PolarHBondContact O-NH2 2.71Å; D22-R29 IonicContact OD1-NH2 2.82Å; D22-R29 PolarHBondContact OD1-NH2 2.84Å; D22-R29 VanDerWaalsContact OD1-NH2 3.11Å; D22-R29 IonicContact OD2-NH2 3.92Å; I24-R29 HydrophobicContact CG2-CB 3.92Å; S25-R29 WeakPolarHBondContact O-CB 3.4Å; S25-R29 PolarHBondContact O-N 3.1Å; D26-R29 WeakPolarHBondContact O-CB 3.48Å; D26-R29 PolarHBondContact O-N 2.96Å; D26-R29 IonicContact OD1-CZ 3.26Å; D26-R29 IonicContact OD1-NH1 2.88Å; D26-R29 PolarHBondContact OD1-NH1 3.42Å; R29-L32 PolarHBondContact O-N 3.38Å; R29-T33 WeakPolarHBondContact O-CB 3.22Å; R29-T33 PolarHBondContact O-N 3.37Å; R29-T33 PolarHBondContact O-OG1 3.24Å; R29-L149 HydrophobicContact CB-CD2 4.05Å; R29-L149 HydrophobicContact CG-CD1 4.34Å; R29-L149 HydrophobicContact CG-CD2 3.66Å
30Q92.5Very high87.1Confident125 Ų12564.6 Ų64.658%0.58435%0.353SS*.Hα-helixtrans-61.9-48.3176.5-175.9174.73.100111.3D26 T27 L32 T33 D34D26-Q30 WeakPolarHBondContact O-CB 3.27Å; D26-Q30 PolarHBondContact O-N 3.45Å; T27-Q30 PolarHBondContact O-N 3.32Å; Q30-L32 PolarHBondContact O-N 3.35Å; Q30-T33 PolarHBondContact O-N 2.73Å; Q30-T33 VanDerWaalsContact O-N 3.17Å; Q30-D34 WeakPolarHBondContact CG-OD2 3.39Å; Q30-D34 WeakPolarHBondContact O-CB 3.48Å; Q30-D34 PolarHBondContact O-N 2.78Å
31M92.5Very high89Confident101 Ų10161.1 Ų61.150%0.49834%0.336SS..Hα-helixtrans-57.9-45.2178-73.2176.873.500112.8T27 R28 A35T27-M31 HydrophobicContact CG2-SD 4.21Å; T27-M31 WeakPolarHBondContact O-CB 3.49Å; T27-M31 VanDerWaalsContact O-CG 3.22Å; T27-M31 WeakPolarHBondContact O-CG 3.33Å; T27-M31 PolarHBondContact O-N 2.99Å; R28-M31 PolarHBondContact O-N 2.81Å; M31-A35 WeakPolarHBondContact O-CB 3.07Å; M31-A35 PolarHBondContact O-N 3.17Å
32L93.1Very high90.7Very high0 Ų056.9 Ų56.90%031%0.308CS..Hα-helixtrans-63.3-42.8176.5-77.1164.7000111.6R28 R29 Q30 G36 V139 P141 Q146 L149 W150R28-L32 HydrophobicContact CG-CD1 4.08Å; R28-L32 WeakPolarHBondContact O-CB 3.31Å; R28-L32 WeakPolarHBondContact O-CG 3.42Å; R28-L32 PolarHBondContact O-N 3.03Å; R29-L32 PolarHBondContact O-N 3.38Å; Q30-L32 PolarHBondContact O-N 3.35Å; L32-G36 PolarHBondContact O-N 3.24Å; L32-V139 HydrophobicContact CD2-CG1 3.85Å; L32-V139 HydrophobicContact CG-CG1 4.43Å; L32-P141 HydrophobicContact CD2-CB 4.2Å; L32-P141 HydrophobicContact CD2-CG 3.99Å; L32-Q146 HydrophobicContact CD1-CB 3.62Å; L32-Q146 HydrophobicContact CD1-CG 3.65Å; L32-L149 HydrophobicContact CB-CD2 3.9Å; L32-L149 HydrophobicContact CD1-CD2 4.08Å; L32-W150 HydrophobicContact CD2-CB 4.48Å; L32-W150 HydrophobicContact CD2-CE3 3.94Å; L32-W150 VanDerWaalsContact O-CE3 3.28Å
33T94.4Very high92Very high39 Ų3955.5 Ų55.524%0.23931%0.305CS..Hα-helixtrans-66.5-48.9-178.5-56.30000110.9R29 Q30 G36 R37 A153R29-T33 WeakPolarHBondContact O-CB 3.22Å; R29-T33 PolarHBondContact O-N 3.37Å; R29-T33 PolarHBondContact O-OG1 3.24Å; Q30-T33 PolarHBondContact O-N 2.73Å; Q30-T33 VanDerWaalsContact O-N 3.17Å; T33-G36 PolarHBondContact O-N 3.2Å; T33-R37 WeakPolarHBondContact O-CB 3.28Å; T33-R37 PolarHBondContact O-N 3.15Å; T33-A153 HydrophobicContact CG2-CB 4.09Å; T33-A153 WeakPolarHBondContact O-CB 3.3Å
34D94.7Very high93Very high81 Ų8151.8 Ų51.843%0.43327%0.266SS..Hα-helixtrans-66.1-43.8-177.8-70.5-15.5000111.7Q30 T38Q30-D34 WeakPolarHBondContact CG-OD2 3.39Å; Q30-D34 WeakPolarHBondContact O-CB 3.48Å; Q30-D34 PolarHBondContact O-N 2.78Å; D34-T38 WeakPolarHBondContact O-CB 3.37Å; D34-T38 PolarHBondContact O-N 3.36Å; D34-T38 PolarHBondContact O-OG1 2.98Å
35A94.3Very high93.8Very high8 Ų853.8 Ų53.87%0.06628%0.275CS..Hα-helixtrans-68.3-43.6177.600000111.8M31 T38 L39 E136 V139 W150M31-A35 WeakPolarHBondContact O-CB 3.07Å; M31-A35 PolarHBondContact O-N 3.17Å; A35-T38 PolarHBondContact O-N 2.92Å; A35-L39 VanDerWaalsContact O-CB 3.3Å; A35-L39 WeakPolarHBondContact O-CB 3.44Å; A35-L39 PolarHBondContact O-N 2.81Å; A35-E136 HydrophobicContact CB-CB 3.91Å; A35-E136 HydrophobicContact CB-CG 4.31Å; A35-V139 HydrophobicContact CB-CB 3.88Å; A35-V139 HydrophobicContact CB-CG1 4.26Å; A35-V139 HydrophobicContact CB-CG2 3.74Å; A35-W150 HydrophobicContact CB-CH2 4.05Å; A35-W150 HydrophobicContact CB-CZ3 3.59Å
36G94.7Very high94.3Very high0 Ų050.9 Ų50.90%025%0.254CS..Hα-helixtrans-61.6-48.1176.700000111.7L32 T33 L39 G40 L154L32-G36 PolarHBondContact O-N 3.24Å; T33-G36 PolarHBondContact O-N 3.2Å; G36-L39 PolarHBondContact O-N 3.14Å; G36-G40 PolarHBondContact O-N 3.38Å; G36-L154 WeakPolarHBondContact O-CA 3.44Å
37R96.1Very high94.7Very high99 Ų9950.5 Ų50.537%0.37425%0.25SC..Hα-helixtrans-62.9-43.4177.9-170.1177-177.2177.10.5112T33 G40 F41 A153 G157 E160T33-R37 WeakPolarHBondContact O-CB 3.28Å; T33-R37 PolarHBondContact O-N 3.15Å; R37-G40 PolarHBondContact O-N 2.97Å; R37-F41 VanDerWaalsContact O-CB 3.28Å; R37-F41 WeakPolarHBondContact O-CB 3.49Å; R37-F41 PolarHBondContact O-N 3.25Å; R37-A153 VanDerWaalsContact CA-O 3.3Å; R37-A153 WeakPolarHBondContact CA-O 3.45Å; R37-A153 HydrophobicContact CB-CB 4.49Å; R37-G157 WeakPolarHBondContact O-CA 3.36Å; R37-E160 IonicContact CZ-OE1 3.56Å; R37-E160 VanDerWaalsContact CZ-OE1 3.25Å; R37-E160 IonicContact CZ-OE2 2.79Å; R37-E160 IonicContact NE-OE1 3.11Å; R37-E160 PolarHBondContact NE-OE1 3.18Å; R37-E160 IonicContact NE-OE2 3.52Å; R37-E160 PolarHBondContact NE-OE2 3.04Å; R37-E160 VanDerWaalsContact NH2-CD 3.25Å; R37-E160 IonicContact NH2-OE1 3.36Å; R37-E160 PolarHBondContact NH2-OE1 3.27Å; R37-E160 IonicContact NH2-OE2 3.45Å; R37-E160 PolarHBondContact NH2-OE2 3.43Å; R37-E160 VanDerWaalsContact NH2-OE2 3.16Å
38T95.3Very high95.2Very high54 Ų5448.8 Ų48.833%0.33123%0.232SC..Hα-helixtrans-66.5-42.9178.6-61.30000111.9D34 A35 F41 R42 E136D34-T38 WeakPolarHBondContact O-CB 3.37Å; D34-T38 PolarHBondContact O-N 3.36Å; D34-T38 PolarHBondContact O-OG1 2.98Å; A35-T38 PolarHBondContact O-N 2.92Å; T38-F41 PolarHBondContact O-N 3Å; T38-R42 WeakPolarHBondContact O-CG 3.14Å; T38-R42 PolarHBondContact O-N 2.86Å; T38-R42 VanDerWaalsContact O-N 3.08Å; T38-E136 HydrophobicContact CG2-CG 3.78Å; T38-E136 VanDerWaalsContact CG2-OE1 3.25Å; T38-E136 WeakPolarHBondContact CG2-OE1 3.49Å
39L94.8Very high95.6Very high66 Ų6646.7 Ų46.735%0.34623%0.225SC..Hα-helixtrans-62.6-47.2175.4-178.364.5000111.1A35 G36 F41 R42 G43 E136 W150 L154A35-L39 VanDerWaalsContact O-CB 3.3Å; A35-L39 WeakPolarHBondContact O-CB 3.44Å; A35-L39 PolarHBondContact O-N 2.81Å; G36-L39 PolarHBondContact O-N 3.14Å; L39-F41 PolarHBondContact O-N 2.97Å; L39-R42 PolarHBondContact O-N 3.21Å; L39-G43 PolarHBondContact O-N 2.96Å; L39-E136 HydrophobicContact CB-CB 4.26Å; L39-W150 HydrophobicContact CD2-CH2 4.29Å; L39-W150 HydrophobicContact CD2-CZ2 3.68Å; L39-L154 HydrophobicContact CD2-CD1 4.2Å
40G95.4Very high95.9Very high2 Ų251.1 Ų51.12%0.02124%0.241CC..Hα-helixtrans-54.7-50.9174.400000111.5G36 R37 R42 G43 G44 G157 W158G36-G40 PolarHBondContact O-N 3.38Å; R37-G40 PolarHBondContact O-N 2.97Å; G40-R42 PolarHBondContact O-N 3.32Å; G40-G43 PolarHBondContact O-N 3.49Å; G40-G44 PolarHBondContact O-N 3.35Å; G40-G157 CarbonylContact C-O 3.57Å; G40-W158 VanDerWaalsContact C-N 3.31Å; G40-W158 VanDerWaalsContact O-CA 3.26Å; G40-W158 WeakPolarHBondContact O-CA 3.4Å
41F96.5Very high96.2Very high66 Ų6647.4 Ų47.429%0.28922%0.224SC..Hα-helixtrans-55.7-47.9179.4-179.5-86.5000112.8R37 T38 L39 K45 G157 E160 G161 N164R37-F41 VanDerWaalsContact O-CB 3.28Å; R37-F41 WeakPolarHBondContact O-CB 3.49Å; R37-F41 PolarHBondContact O-N 3.25Å; T38-F41 PolarHBondContact O-N 3Å; L39-F41 PolarHBondContact O-N 2.97Å; F41-K45 HydrophobicContact CE1-CD 4.15Å; F41-K45 HydrophobicContact CZ-CD 4.43Å; F41-K45 WeakPolarHBondContact O-CB 3.33Å; F41-K45 PolarHBondContact O-N 3.02Å; F41-G157 WeakPolarHBondContact CA-O 3.29Å; F41-G157 PolarHBondContact N-O 3.45Å; F41-E160 HydrophobicContact CD2-CB 4.02Å; F41-G161 WeakPolarHBondContact O-CA 3.24Å; F41-N164 HydrophobicContact CE2-CB 3.76Å; F41-N164 HydrophobicContact CZ-CB 3.8Å
42R95.2Very high96.5Very high76 Ų7643.3 Ų43.329%0.28720%0.204SC..Hα-helixtrans-64.3-43.3178.4-67.2-178-169.2-17514.2111.8T38 L39 G40 A46 A131 T132 G134 E136T38-R42 WeakPolarHBondContact O-CG 3.14Å; T38-R42 PolarHBondContact O-N 2.86Å; T38-R42 VanDerWaalsContact O-N 3.08Å; L39-R42 PolarHBondContact O-N 3.21Å; G40-R42 PolarHBondContact O-N 3.32Å; R42-A46 VanDerWaalsContact O-CB 3.3Å; R42-A46 WeakPolarHBondContact O-CB 3.4Å; R42-A46 PolarHBondContact O-N 3.04Å; R42-A131 HydrophobicContact CB-CB 4.12Å; R42-T132 WeakPolarHBondContact CD-O 3.35Å; R42-T132 PolarHBondContact NH1-O 2.83Å; R42-G134 VanDerWaalsContact NH1-CA 3.33Å; R42-E136 IonicContact CZ-OE1 2.78Å; R42-E136 VanDerWaalsContact CZ-OE1 3.31Å; R42-E136 IonicContact CZ-OE2 3.24Å; R42-E136 IonicContact NE-OE1 3.7Å; R42-E136 IonicContact NH1-OE1 2.77Å; R42-E136 IonicContact NH1-OE2 3.37Å; R42-E136 IonicContact NH2-OE1 3.8Å; R42-E136 PolarHBondContact NH2-OE1 3.2Å; R42-E136 IonicContact NH2-OE2 2.68Å
43G95.9Very high96.8Very high17 Ų1744.5 Ų44.518%0.17521%0.21CC..Hα-helixtrans-63.1-50.3177.900000112.6L39 G40 K45 A46 Q47L39-G43 PolarHBondContact O-N 2.96Å; G40-G43 PolarHBondContact O-N 3.49Å; G43-K45 PolarHBondContact O-N 2.88Å; G43-A46 PolarHBondContact O-N 3.29Å; G43-Q47 PolarHBondContact O-N 2.68Å
44G98Very high97Very high0 Ų047 Ų470%022%0.219CC..Hα-helixtrans-64-42.5-179.200000111.9G40 A46 R48 W158 R162G40-G44 PolarHBondContact O-N 3.35Å; G44-A46 PolarHBondContact O-N 2.88Å; G44-R48 VanDerWaalsContact O-CB 3.3Å; G44-R48 WeakPolarHBondContact O-CB 3.23Å; G44-R48 PolarHBondContact O-N 3.4Å; G44-W158 VanDerWaalsContact CA-CD2 3.49Å; G44-R162 WeakPolarHBondContact O-CG 3.04Å
45K98.1Very high97.1Very high52 Ų5245.2 Ų45.223%0.22622%0.216CC..Hα-helixtrans-61.3-43.4174.3-176.2172-179.1161.90112F41 G43 S49 G161 N164 A165F41-K45 HydrophobicContact CE1-CD 4.15Å; F41-K45 HydrophobicContact CZ-CD 4.43Å; F41-K45 WeakPolarHBondContact O-CB 3.33Å; F41-K45 PolarHBondContact O-N 3.02Å; G43-K45 PolarHBondContact O-N 2.88Å; K45-S49 WeakPolarHBondContact O-CB 3.36Å; K45-S49 PolarHBondContact O-N 2.93Å; K45-S49 PolarHBondContact O-OG 3.23Å; K45-G161 WeakPolarHBondContact CA-O 3.4Å; K45-G161 WeakPolarHBondContact CB-O 3.4Å; K45-N164 WeakPolarHBondContact CD-OD1 3.4Å; K45-N164 VanDerWaalsContact CE-OD1 3.29Å; K45-N164 WeakPolarHBondContact CE-OD1 3.07Å; K45-N164 PolarHBondContact NZ-OD1 3.35Å; K45-A165 HydrophobicContact CG-CB 4.24Å
46A98.3Very high97.3Very high9 Ų945.8 Ų45.87%0.07422%0.218CC..Hα-helixtrans-66.1-46.4-179.300000112.3R42 G43 G44 S49 W50 S128 A131R42-A46 VanDerWaalsContact O-CB 3.3Å; R42-A46 WeakPolarHBondContact O-CB 3.4Å; R42-A46 PolarHBondContact O-N 3.04Å; G43-A46 PolarHBondContact O-N 3.29Å; G44-A46 PolarHBondContact O-N 2.88Å; A46-S49 PolarHBondContact O-N 3.47Å; A46-W50 PolarHBondContact O-N 2.82Å; A46-S128 WeakPolarHBondContact CA-O 3.41Å; A46-A131 HydrophobicContact CB-CB 4.02Å
47Q98.4Very high97.5Very high82 Ų8248.3 Ų48.338%0.38323%0.231SC..Hα-helixtrans-61.7-49176.8-172.3-162.939.800111.1G43 S49 W50 E51 W158G43-Q47 PolarHBondContact O-N 2.68Å; Q47-S49 VanDerWaalsContact C-N 3.34Å; Q47-S49 PolarHBondContact O-N 3.31Å; Q47-W50 WeakPolarHBondContact O-CB 3.34Å; Q47-W50 PolarHBondContact O-N 3.08Å; Q47-W50 VanDerWaalsContact O-N 3.16Å; Q47-E51 PolarHBondContact O-N 3.08Å; Q47-W158 HydrophobicContact CB-CH2 4.23Å; Q47-W158 HydrophobicContact CB-CZ2 4.19Å; Q47-W158 HydrophobicContact CG-CZ2 4.46Å
48R98.6Very high97.6Very high60 Ų6047.8 Ų47.823%0.22625%0.248CC..Hα-helixtrans-64.2-40.3179.9-175.956.3173.4168.93.9112.1G44 W50 E51 L52 R162 A165 D166G44-R48 VanDerWaalsContact O-CB 3.3Å; G44-R48 WeakPolarHBondContact O-CB 3.23Å; G44-R48 PolarHBondContact O-N 3.4Å; R48-W50 VanDerWaalsContact C-N 3.28Å; R48-W50 PolarHBondContact O-N 3.39Å; R48-E51 VanDerWaalsContact CD-OE2 3.23Å; R48-E51 WeakPolarHBondContact CD-OE2 3.28Å; R48-E51 IonicContact CZ-OE2 3.16Å; R48-E51 IonicContact NE-OE2 2.77Å; R48-E51 IonicContact NH1-OE2 3.38Å; R48-E51 PolarHBondContact NH1-OE2 3.3Å; R48-E51 WeakPolarHBondContact O-CB 3.32Å; R48-E51 PolarHBondContact O-N 3.41Å; R48-L52 HydrophobicContact CG-CD1 4.14Å; R48-L52 HydrophobicContact CG-CG 4.36Å; R48-L52 VanDerWaalsContact O-CG 3.28Å; R48-L52 WeakPolarHBondContact O-CG 3.49Å; R48-L52 PolarHBondContact O-N 3.33Å; R48-R162 HydrophobicContact CB-CB 4.08Å; R48-R162 HydrophobicContact CB-CG 4.01Å; R48-R162 HydrophobicContact CG-CB 4.26Å; R48-A165 HydrophobicContact CB-CB 3.78Å; R48-A165 HydrophobicContact CG-CB 3.63Å; R48-D166 IonicContact CZ-OD1 3.39Å; R48-D166 VanDerWaalsContact CZ-OD1 3.27Å; R48-D166 IonicContact CZ-OD2 3.37Å; R48-D166 IonicContact NE-OD1 2.73Å; R48-D166 PolarHBondContact NE-OD1 3.37Å; R48-D166 IonicContact NE-OD2 3.58Å; R48-D166 PolarHBondContact NE-OD2 3.48Å; R48-D166 VanDerWaalsContact NE-OD2 3.13Å; R48-D166 IonicContact NH2-OD1 3.72Å; R48-D166 PolarHBondContact NH2-OD1 3.35Å; R48-D166 IonicContact NH2-OD2 3.22Å; R48-D166 PolarHBondContact NH2-OD2 3.02Å
49S98.7Very high97.8Very high0 Ų053.1 Ų53.10%026%0.262CS..Hα-helixtrans-57.9-42.2173.9-640000111.5K45 A46 Q47 L52 I53 S128K45-S49 WeakPolarHBondContact O-CB 3.36Å; K45-S49 PolarHBondContact O-N 2.93Å; K45-S49 PolarHBondContact O-OG 3.23Å; A46-S49 PolarHBondContact O-N 3.47Å; Q47-S49 VanDerWaalsContact C-N 3.34Å; Q47-S49 PolarHBondContact O-N 3.31Å; S49-L52 PolarHBondContact O-N 3.37Å; S49-I53 WeakPolarHBondContact O-CB 3.47Å; S49-I53 WeakPolarHBondContact O-CD1 3.33Å; S49-I53 WeakPolarHBondContact O-CG1 3.41Å; S49-I53 PolarHBondContact O-N 2.9Å; S49-S128 VanDerWaalsContact CB-O 3.26Å; S49-S128 WeakPolarHBondContact CB-O 3.37Å
50W98.6Very high97.9Very high136 Ų13653.4 Ų53.452%0.51526%0.262SS..Hα-helixtrans-61.4-48.1175.1177.990.6000112A46 Q47 R48 L52 I53 Q54 T129A46-W50 PolarHBondContact O-N 2.82Å; Q47-W50 WeakPolarHBondContact O-CB 3.34Å; Q47-W50 PolarHBondContact O-N 3.08Å; Q47-W50 VanDerWaalsContact O-N 3.16Å; R48-W50 VanDerWaalsContact C-N 3.28Å; R48-W50 PolarHBondContact O-N 3.39Å; W50-L52 VanDerWaalsContact C-N 3.32Å; W50-L52 PolarHBondContact O-N 3.4Å; W50-I53 PolarHBondContact O-N 3.49Å; W50-Q54 HydrophobicContact CD2-CG 4.15Å; W50-Q54 HydrophobicContact CE3-CG 4.46Å; W50-Q54 HydrophobicContact CH2-CG 4.22Å; W50-Q54 HydrophobicContact CZ2-CG 3.9Å; W50-Q54 HydrophobicContact CZ3-CG 4.49Å; W50-Q54 WeakPolarHBondContact O-CG 3.31Å; W50-Q54 PolarHBondContact O-N 3.11Å; W50-T129 HydrophobicContact CB-CG2 3.78Å; W50-T129 HydrophobicContact CG-CG2 4.33Å
51E98.8Very high98.1Very high48 Ų4857.8 Ų57.822%0.22429%0.292CS..Hα-helixtrans-56.3-46.2176.5-67.1165.7-162.500111.7Q47 R48 Q54 A55 R162Q47-E51 PolarHBondContact O-N 3.08Å; R48-E51 VanDerWaalsContact CD-OE2 3.23Å; R48-E51 WeakPolarHBondContact CD-OE2 3.28Å; R48-E51 IonicContact CZ-OE2 3.16Å; R48-E51 IonicContact NE-OE2 2.77Å; R48-E51 IonicContact NH1-OE2 3.38Å; R48-E51 PolarHBondContact NH1-OE2 3.3Å; R48-E51 WeakPolarHBondContact O-CB 3.32Å; R48-E51 PolarHBondContact O-N 3.41Å; E51-Q54 PolarHBondContact O-N 3.19Å; E51-A55 PolarHBondContact O-N 2.73Å; E51-R162 IonicContact OE1-CZ 3.83Å; E51-R162 IonicContact OE1-NH1 3.83Å; E51-R162 PolarHBondContact OE1-NH1 3.21Å; E51-R162 IonicContact OE1-NH2 3.97Å; E51-R162 PolarHBondContact OE1-NH2 2.91Å; E51-R162 IonicContact OE2-CZ 2.66Å; E51-R162 IonicContact OE2-NH1 3.25Å; E51-R162 PolarHBondContact OE2-NH1 3.17Å; E51-R162 IonicContact OE2-NH2 3.96Å; E51-R162 PolarHBondContact OE2-NH2 2.97Å
52L98.7Very high98.2Very high15 Ų1559 Ų598%0.07931%0.305CS..Hα-helixtrans-64-42.8179.3-69.2175.8000111.9R48 S49 W50 Q54 A55 L56 L127 A165 L169R48-L52 HydrophobicContact CG-CD1 4.14Å; R48-L52 HydrophobicContact CG-CG 4.36Å; R48-L52 VanDerWaalsContact O-CG 3.28Å; R48-L52 WeakPolarHBondContact O-CG 3.49Å; R48-L52 PolarHBondContact O-N 3.33Å; S49-L52 PolarHBondContact O-N 3.37Å; W50-L52 VanDerWaalsContact C-N 3.32Å; W50-L52 PolarHBondContact O-N 3.4Å; L52-Q54 VanDerWaalsContact C-N 3.33Å; L52-Q54 PolarHBondContact O-N 2.77Å; L52-A55 PolarHBondContact O-N 3.29Å; L52-L56 VanDerWaalsContact O-CG 3.27Å; L52-L56 WeakPolarHBondContact O-CG 3.45Å; L52-L56 PolarHBondContact O-N 3.09Å; L52-L127 HydrophobicContact CB-CD1 4.48Å; L52-L127 HydrophobicContact CD1-CD2 4.47Å; L52-A165 HydrophobicContact CD1-CB 4.23Å; L52-L169 HydrophobicContact CB-CD2 4.26Å; L52-L169 HydrophobicContact CD1-CB 4.15Å; L52-L169 HydrophobicContact CD1-CD2 4.05Å; L52-L169 HydrophobicContact CD2-CD2 3.76Å; L52-L169 HydrophobicContact CG-CD2 4.23Å
53I98.6Very high98.3Very high25 Ų2556.5 Ų56.513%0.12830%0.297CS..Hα-helixtrans-60.9-43.5176.6-72.5163.1000110.9S49 W50 L56 N57 L124 L127 T129S49-I53 WeakPolarHBondContact O-CB 3.47Å; S49-I53 WeakPolarHBondContact O-CD1 3.33Å; S49-I53 WeakPolarHBondContact O-CG1 3.41Å; S49-I53 PolarHBondContact O-N 2.9Å; W50-I53 PolarHBondContact O-N 3.49Å; I53-L56 PolarHBondContact O-N 3.5Å; I53-N57 WeakPolarHBondContact O-CB 3.26Å; I53-N57 PolarHBondContact O-N 3.09Å; I53-N57 PolarHBondContact O-ND2 2.81Å; I53-L124 HydrophobicContact CG1-CD2 3.88Å; I53-L127 HydrophobicContact CD1-CB 4.22Å; I53-T129 HydrophobicContact CD1-CG2 3.55Å
54Q98.6Very high98.4Very high90 Ų9058.9 Ų58.942%0.42131%0.306SS..Hα-helixtrans-62.2-45.1175.8-64.7-54.2-36.800111.4W50 E51 L52 L56 N57 A58W50-Q54 HydrophobicContact CD2-CG 4.15Å; W50-Q54 HydrophobicContact CE3-CG 4.46Å; W50-Q54 HydrophobicContact CH2-CG 4.22Å; W50-Q54 HydrophobicContact CZ2-CG 3.9Å; W50-Q54 HydrophobicContact CZ3-CG 4.49Å; W50-Q54 WeakPolarHBondContact O-CG 3.31Å; W50-Q54 PolarHBondContact O-N 3.11Å; E51-Q54 PolarHBondContact O-N 3.19Å; L52-Q54 VanDerWaalsContact C-N 3.33Å; L52-Q54 PolarHBondContact O-N 2.77Å; Q54-L56 VanDerWaalsContact C-N 3.31Å; Q54-L56 PolarHBondContact O-N 2.85Å; Q54-N57 PolarHBondContact O-N 2.74Å; Q54-A58 WeakPolarHBondContact O-CB 3.4Å; Q54-A58 PolarHBondContact O-N 3.45Å
55A98.6Very high98.4Very high45 Ų4562.8 Ų62.837%0.37234%0.338SS..Hα-helixtrans-62.2-36.4177.700000112.9E51 L52 R59E51-A55 PolarHBondContact O-N 2.73Å; L52-A55 PolarHBondContact O-N 3.29Å; A55-R59 WeakPolarHBondContact O-CG 3.26Å
56L98.6Very high98.3Very high19 Ų1965.1 Ų65.110%0.09935%0.352CS..Hα-helixtrans-68.5-45.9174.6-70.9171.4000111.8L52 I53 Q54 A58 R59 E60 L63 W119 L123 L124 L169L52-L56 VanDerWaalsContact O-CG 3.27Å; L52-L56 WeakPolarHBondContact O-CG 3.45Å; L52-L56 PolarHBondContact O-N 3.09Å; I53-L56 PolarHBondContact O-N 3.5Å; Q54-L56 VanDerWaalsContact C-N 3.31Å; Q54-L56 PolarHBondContact O-N 2.85Å; L56-A58 VanDerWaalsContact C-N 3.31Å; L56-A58 PolarHBondContact O-N 3.38Å; L56-R59 CarbonylContact O-C 3.53Å; L56-R59 WeakPolarHBondContact O-CA 3.34Å; L56-R59 PolarHBondContact O-N 3.38Å; L56-E60 PolarHBondContact O-N 3.39Å; L56-L63 HydrophobicContact CB-CD1 4.4Å; L56-L63 HydrophobicContact CD2-CD1 3.98Å; L56-W119 HydrophobicContact CB-CH2 3.89Å; L56-W119 HydrophobicContact CB-CZ3 3.74Å; L56-W119 HydrophobicContact CD1-CZ3 4.23Å; L56-W119 HydrophobicContact CG-CZ3 4.45Å; L56-L123 HydrophobicContact CD1-CB 3.94Å; L56-L123 HydrophobicContact CD1-CD1 4.41Å; L56-L123 HydrophobicContact CD2-CD1 3.66Å; L56-L124 HydrophobicContact CD1-CD2 3.87Å; L56-L169 HydrophobicContact CD1-CD1 3.94Å
57N98.3Very high98.3Very high53 Ų5365.7 Ų65.728%0.28335%0.353SS..Hα-helixtrans-63.4-36.8178-74.1-34.4000112I53 Q54 R59 E60 R120I53-N57 WeakPolarHBondContact O-CB 3.26Å; I53-N57 PolarHBondContact O-N 3.09Å; I53-N57 PolarHBondContact O-ND2 2.81Å; Q54-N57 PolarHBondContact O-N 2.74Å; N57-R59 PolarHBondContact O-N 2.94Å; N57-R59 VanDerWaalsContact O-N 3.1Å; N57-E60 VanDerWaalsContact O-CB 3.26Å; N57-E60 WeakPolarHBondContact O-CB 3.49Å; N57-E60 PolarHBondContact O-N 3.43Å; N57-E60 VanDerWaalsContact O-N 3.11Å; N57-R120 PolarHBondContact OD1-NE 3.14Å; N57-R120 PolarHBondContact OD1-NH2 2.8Å
58A98.6Very high98.2Very high88 Ų8863.6 Ų63.673%0.72734%0.344SS*.THydrogen-bonded Turntrans-61.1-18.2173.500000113.4Q54 L56Q54-A58 WeakPolarHBondContact O-CB 3.4Å; Q54-A58 PolarHBondContact O-N 3.45Å; L56-A58 VanDerWaalsContact C-N 3.31Å; L56-A58 PolarHBondContact O-N 3.38Å
59R98.2Very high98.1Very high166 Ų16660.8 Ų60.863%0.62633%0.334SS*.THydrogen-bonded Turntrans-112.119.8179.6-60.3174.2-174.4-1761.6112.5A55 L56 N57 S61 T62 L63A55-R59 WeakPolarHBondContact O-CG 3.26Å; L56-R59 CarbonylContact O-C 3.53Å; L56-R59 WeakPolarHBondContact O-CA 3.34Å; L56-R59 PolarHBondContact O-N 3.38Å; N57-R59 PolarHBondContact O-N 2.94Å; N57-R59 VanDerWaalsContact O-N 3.1Å; R59-S61 PolarHBondContact O-N 3.47Å; R59-T62 PolarHBondContact O-N 3Å; R59-L63 HydrophobicContact CB-CD1 4.43Å; R59-L63 WeakPolarHBondContact O-CG 3.4Å; R59-L63 PolarHBondContact O-N 3.34Å
60E98.2Very high98Very high73 Ų7368.5 Ų68.534%0.34136%0.363SS..Hα-helixtrans-55.7-45.6-172.7169.3165.4-161.400113.2L56 N57 T62 L63 N64 W119 R120L56-E60 PolarHBondContact O-N 3.39Å; N57-E60 VanDerWaalsContact O-CB 3.26Å; N57-E60 WeakPolarHBondContact O-CB 3.49Å; N57-E60 PolarHBondContact O-N 3.43Å; N57-E60 VanDerWaalsContact O-N 3.11Å; E60-T62 VanDerWaalsContact C-N 3.35Å; E60-T62 PolarHBondContact O-N 2.91Å; E60-L63 PolarHBondContact O-N 3.34Å; E60-N64 WeakPolarHBondContact CG-ND2 3.13Å; E60-N64 WeakPolarHBondContact O-CB 3.42Å; E60-N64 PolarHBondContact O-N 3.23Å; E60-N64 PolarHBondContact O-ND2 3.33Å; E60-N64 PolarHBondContact O-OD1 3Å; E60-W119 HydrophobicContact CB-CZ2 4.24Å; E60-W119 HydrophobicContact CG-CZ2 4.37Å; E60-R120 VanDerWaalsContact CD-NH1 3.31Å; E60-R120 IonicContact OE1-CZ 3.27Å; E60-R120 IonicContact OE1-NH1 3.27Å; E60-R120 PolarHBondContact OE1-NH1 2.8Å; E60-R120 IonicContact OE1-NH2 2.62Å; E60-R120 PolarHBondContact OE1-NH2 3.43Å; E60-R120 IonicContact OE2-CZ 3.43Å; E60-R120 IonicContact OE2-NH1 2.8Å; E60-R120 IonicContact OE2-NH2 2.87Å; E60-R120 PolarHBondContact OE2-NH2 2.91Å
61S98Very high97.9Very high94 Ų9467 Ų6766%0.65737%0.37SS*.Hα-helixtrans-59.8-45.4-179.354.10000111.9R59 N64 A65R59-S61 PolarHBondContact O-N 3.47Å; S61-N64 PolarHBondContact O-N 3.34Å; S61-A65 PolarHBondContact O-N 3.1Å
62T98.3Very high97.8Very high92 Ų9266 Ų6656%0.56437%0.367SS*.Hα-helixtrans-62.2-44.7175.9-53.60000111.5R59 E60 A65 L66R59-T62 PolarHBondContact O-N 3Å; E60-T62 VanDerWaalsContact C-N 3.35Å; E60-T62 PolarHBondContact O-N 2.91Å; T62-A65 PolarHBondContact O-N 3.42Å; T62-L66 VanDerWaalsContact O-CB 3.31Å; T62-L66 WeakPolarHBondContact O-CB 3.31Å; T62-L66 PolarHBondContact O-N 3.01Å
63L98.4Very high97.7Very high22 Ų2267 Ų6712%0.11537%0.372CS..Hα-helixtrans-68.4-35.5179.6-69.8169.7000112.4L56 R59 E60 A65 L66 Y67 W119 L123L56-L63 HydrophobicContact CB-CD1 4.4Å; L56-L63 HydrophobicContact CD2-CD1 3.98Å; R59-L63 HydrophobicContact CB-CD1 4.43Å; R59-L63 WeakPolarHBondContact O-CG 3.4Å; R59-L63 PolarHBondContact O-N 3.34Å; E60-L63 PolarHBondContact O-N 3.34Å; L63-A65 VanDerWaalsContact C-N 3.35Å; L63-L66 PolarHBondContact O-N 3.46Å; L63-Y67 HydrophobicContact CD2-CD2 4.31Å; L63-Y67 HydrophobicContact CD2-CE2 4.17Å; L63-Y67 PolarHBondContact O-N 3.11Å; L63-W119 HydrophobicContact CB-CB 4.31Å; L63-W119 HydrophobicContact CB-CD2 3.96Å; L63-W119 HydrophobicContact CB-CG 3.64Å; L63-W119 HydrophobicContact CD1-CD2 3.72Å; L63-W119 HydrophobicContact CD1-CE3 3.92Å; L63-W119 HydrophobicContact CD1-CG 4.22Å; L63-W119 HydrophobicContact CD1-CH2 4.19Å; L63-W119 HydrophobicContact CD1-CZ2 4.02Å; L63-W119 HydrophobicContact CD1-CZ3 4.15Å; L63-W119 HydrophobicContact CG-CD2 4.42Å; L63-W119 HydrophobicContact CG-CG 4.43Å; L63-L123 HydrophobicContact CD1-CD1 4.33Å; L63-L123 HydrophobicContact CD2-CD1 4.2Å
64N97.8Very high97.5Very high67 Ų6766.8 Ų66.836%0.35837%0.372SS..Hα-helixtrans-66-37.8174.6-71.9-12000111.6E60 S61 W119E60-N64 WeakPolarHBondContact CG-ND2 3.13Å; E60-N64 WeakPolarHBondContact O-CB 3.42Å; E60-N64 PolarHBondContact O-N 3.23Å; E60-N64 PolarHBondContact O-ND2 3.33Å; E60-N64 PolarHBondContact O-OD1 3Å; S61-N64 PolarHBondContact O-N 3.34Å; N64-W119 VanDerWaalsContact OD1-CD1 3.24Å; N64-W119 PolarHBondContact OD1-NE1 2.99Å
65A97Very high97.2Very high82 Ų8274.3 Ų74.368%0.67840%0.397SS*.Hα-helixtrans-73-38.5175.800000112.4S61 T62 L63S61-A65 PolarHBondContact O-N 3.1Å; T62-A65 PolarHBondContact O-N 3.42Å; L63-A65 VanDerWaalsContact C-N 3.35Å
66L97.1Very high96.9Very high101 Ų10175.2 Ų75.253%0.52939%0.393SS..Hα-helixtrans-72.4-35.9-178.8-176.560.9000112.8T62 L63T62-L66 VanDerWaalsContact O-CB 3.31Å; T62-L66 WeakPolarHBondContact O-CB 3.31Å; T62-L66 PolarHBondContact O-N 3.01Å; L63-L66 PolarHBondContact O-N 3.46Å
67Y98.1Very high96.7Very high22 Ų2275.1 Ų75.19%0.08640%0.397CS..THydrogen-bonded Turntrans-12262.8-175.7-60.4-70.1000111.5L63 F69 W119 L176 T177 Y180L63-Y67 HydrophobicContact CD2-CD2 4.31Å; L63-Y67 HydrophobicContact CD2-CE2 4.17Å; L63-Y67 PolarHBondContact O-N 3.11Å; Y67-F69 VanDerWaalsContact O-CD2 3.28Å; Y67-F69 WeakPolarHBondContact O-CD2 3.5Å; Y67-F69 PolarHBondContact O-N 2.82Å; Y67-W119 HydrophobicContact CD2-CB 4.2Å; Y67-L176 HydrophobicContact CD1-CD1 3.98Å; Y67-L176 HydrophobicContact CD1-CD2 4.1Å; Y67-L176 HydrophobicContact CD1-CG 3.82Å; Y67-L176 HydrophobicContact CD2-CD2 3.62Å; Y67-L176 HydrophobicContact CD2-CG 4.28Å; Y67-L176 HydrophobicContact CE1-CD1 4.3Å; Y67-L176 HydrophobicContact CE1-CD2 3.99Å; Y67-L176 HydrophobicContact CE1-CG 3.65Å; Y67-L176 HydrophobicContact CE2-CD2 3.47Å; Y67-L176 VanDerWaalsContact CE2-CD2 3.47Å; Y67-L176 HydrophobicContact CE2-CG 4.11Å; Y67-L176 HydrophobicContact CG-CD1 4.19Å; Y67-L176 HydrophobicContact CG-CD2 3.91Å; Y67-L176 HydrophobicContact CG-CG 4.12Å; Y67-T177 PolarHBondContact OH-OG1 3.2Å; Y67-Y180 HydrophobicContact CD1-CD1 4.1Å; Y67-Y180 HydrophobicContact CD1-CD2 4.32Å; Y67-Y180 AromaticContact CD1-CG 3.9Å; Y67-Y180 HydrophobicContact CD1-CG 3.9Å
68D96.8Very high96.6Very high38 Ų3873.1 Ų73.120%0.20339%0.386CS..  trans-85104.5174.7-170.31.9000111.3R70 P71 Y180D68-R70 VanDerWaalsContact CG-NH2 3.31Å; D68-R70 VanDerWaalsContact OD1-CB 3.31Å; D68-R70 WeakPolarHBondContact OD1-CB 3.46Å; D68-R70 WeakPolarHBondContact OD1-CG 3.31Å; D68-R70 IonicContact OD1-CZ 2.89Å; D68-R70 PolarHBondContact OD1-N 3.46Å; D68-R70 IonicContact OD1-NE 3.13Å; D68-R70 PolarHBondContact OD1-NE 3.2Å; D68-R70 IonicContact OD1-NH2 3.9Å; D68-R70 IonicContact OD2-CZ 3.52Å; D68-R70 IonicContact OD2-NE 3.76Å; D68-R70 PolarHBondContact OD2-NE 3.07Å; D68-R70 IonicContact OD2-NH2 3.97Å; D68-R70 PolarHBondContact OD2-NH2 2.92Å; D68-P71 WeakPolarHBondContact O-CD 3.26Å; D68-P71 WeakPolarHBondContact OD1-CD 3.48Å; D68-Y180 WeakPolarHBondContact O-CE2 3.27Å; D68-Y180 PolarHBondContact O-OH 3.43Å; D68-Y180 VanDerWaalsContact O-OH 3.08Å
69F97.1Very high96.6Very high1 Ų169 Ų690%0.00435%0.351CS..  trans-84.8-12.8177.8-67.3-92.5000113.6Y67 P71 L72 I73 P117 W122 L176 Y180 M183Y67-F69 VanDerWaalsContact O-CD2 3.28Å; Y67-F69 WeakPolarHBondContact O-CD2 3.5Å; Y67-F69 PolarHBondContact O-N 2.82Å; F69-P71 VanDerWaalsContact C-CD 3.48Å; F69-L72 HydrophobicContact CD1-CD1 4.11Å; F69-L72 WeakPolarHBondContact O-CB 3.48Å; F69-L72 PolarHBondContact O-N 3.5Å; F69-I73 PolarHBondContact O-N 3.04Å; F69-P117 HydrophobicContact CB-CG 3.94Å; F69-P117 HydrophobicContact CD1-CG 4.06Å; F69-P117 HydrophobicContact CD2-CG 4.22Å; F69-P117 VanDerWaalsContact CD2-O 3.26Å; F69-P117 WeakPolarHBondContact CD2-O 3.32Å; F69-P117 HydrophobicContact CG-CG 3.82Å; F69-W122 HydrophobicContact CD1-CH2 4.24Å; F69-W122 HydrophobicContact CD2-CZ3 4.4Å; F69-W122 AromaticContact CE1-CH2 3.53Å; F69-W122 HydrophobicContact CE1-CH2 3.53Å; F69-W122 HydrophobicContact CE1-CZ2 4.1Å; F69-W122 AromaticContact CE1-CZ3 3.95Å; F69-W122 HydrophobicContact CE1-CZ3 3.95Å; F69-W122 HydrophobicContact CE2-CE3 4.3Å; F69-W122 HydrophobicContact CE2-CH2 4.16Å; F69-W122 AromaticContact CE2-CZ3 3.69Å; F69-W122 HydrophobicContact CE2-CZ3 3.69Å; F69-W122 HydrophobicContact CZ-CE3 4.04Å; F69-W122 AromaticContact CZ-CH2 3.49Å; F69-W122 HydrophobicContact CZ-CH2 3.49Å; F69-W122 VanDerWaalsContact CZ-CH2 3.49Å; F69-W122 HydrophobicContact CZ-CZ2 4.11Å; F69-W122 AromaticContact CZ-CZ3 3.42Å; F69-W122 HydrophobicContact CZ-CZ3 3.42Å; F69-W122 VanDerWaalsContact CZ-CZ3 3.42Å; F69-L176 HydrophobicContact CE2-CD1 4.07Å; F69-L176 HydrophobicContact CZ-CD1 3.67Å; F69-Y180 AromaticContact CD1-CD2 3.97Å; F69-Y180 HydrophobicContact CD1-CD2 3.97Å; F69-Y180 HydrophobicContact CD1-CE2 4.39Å; F69-Y180 HydrophobicContact CD2-CD2 4.47Å; F69-Y180 AromaticContact CE1-CD2 3.64Å; F69-Y180 HydrophobicContact CE1-CD2 3.64Å; F69-Y180 HydrophobicContact CE1-CE2 4.47Å; F69-Y180 HydrophobicContact CE2-CD2 4.18Å; F69-Y180 HydrophobicContact CG-CD2 4.38Å; F69-Y180 HydrophobicContact CG-CE2 4.47Å; F69-Y180 AromaticContact CZ-CD2 3.75Å; F69-Y180 HydrophobicContact CZ-CD2 3.75Å; F69-M183 HydrophobicContact CD1-SD 3.96Å; F69-M183 HydrophobicContact CE1-CE 4.26Å; F69-M183 HydrophobicContact CE1-SD 3.96Å
70R96Very high96.5Very high162 Ų16261.2 Ų61.261%0.61132%0.323SS*.G310 helixtrans-56.8-43.8-175.5-61168.9-69.1-173.60.2112.4D68 L72 I73 P116D68-R70 VanDerWaalsContact CG-NH2 3.31Å; D68-R70 VanDerWaalsContact OD1-CB 3.31Å; D68-R70 WeakPolarHBondContact OD1-CB 3.46Å; D68-R70 WeakPolarHBondContact OD1-CG 3.31Å; D68-R70 IonicContact OD1-CZ 2.89Å; D68-R70 PolarHBondContact OD1-N 3.46Å; D68-R70 IonicContact OD1-NE 3.13Å; D68-R70 PolarHBondContact OD1-NE 3.2Å; D68-R70 IonicContact OD1-NH2 3.9Å; D68-R70 IonicContact OD2-CZ 3.52Å; D68-R70 IonicContact OD2-NE 3.76Å; D68-R70 PolarHBondContact OD2-NE 3.07Å; D68-R70 IonicContact OD2-NH2 3.97Å; D68-R70 PolarHBondContact OD2-NH2 2.92Å; R70-L72 PolarHBondContact O-N 3.23Å; R70-I73 PolarHBondContact O-N 2.85Å; R70-P116 HydrophobicContact CG-CB 3.78Å; R70-P116 HydrophobicContact CG-CG 3.87Å
71P95.9Very high96.5Very high103 Ų10357.8 Ų57.867%0.66931%0.306SS*.G310 helixtrans-69-17.1178.7-18.833.5000113.8D68 F69D68-P71 WeakPolarHBondContact O-CD 3.26Å; D68-P71 WeakPolarHBondContact OD1-CD 3.48Å; F69-P71 VanDerWaalsContact C-CD 3.48Å
72L96.1Very high96.6Very high28 Ų2853.3 Ų53.315%0.14728%0.275CS..G310 helixtrans-84-17.7-178.6-56.1176.5000111.9F69 R70 P80 Y180 M183 M184F69-L72 HydrophobicContact CD1-CD1 4.11Å; F69-L72 WeakPolarHBondContact O-CB 3.48Å; F69-L72 PolarHBondContact O-N 3.5Å; R70-L72 PolarHBondContact O-N 3.23Å; L72-P80 HydrophobicContact CB-CG 4.31Å; L72-P80 WeakPolarHBondContact O-CD 3.27Å; L72-Y180 HydrophobicContact CD1-CD2 3.97Å; L72-Y180 HydrophobicContact CD1-CE2 3.73Å; L72-M183 HydrophobicContact CD1-CB 3.86Å; L72-M183 HydrophobicContact CD1-SD 4.42Å; L72-M184 HydrophobicContact CD1-CG 4.48Å; L72-M184 HydrophobicContact CD2-CG 3.98Å
73I96.4Very high96.6Very high37 Ų3749 Ų4919%0.1925%0.249CC..SBendtrans-78.4129.3-177.7-62.5161.2000109.4F69 R70 W78 L79 V113 P116F69-I73 PolarHBondContact O-N 3.04Å; R70-I73 PolarHBondContact O-N 2.85Å; I73-W78 WeakPolarHBondContact CA-O 3.41Å; I73-L79 HydrophobicContact CD1-CD2 4.37Å; I73-L79 HydrophobicContact CG1-CD2 3.55Å; I73-L79 HydrophobicContact CG1-CG 4.16Å; I73-V113 HydrophobicContact CD1-CG2 4.17Å; I73-V113 HydrophobicContact CG1-CG2 4.3Å; I73-V113 HydrophobicContact CG2-CG2 4.44Å; I73-P116 VanDerWaalsContact CD1-CA 3.42Å; I73-P116 HydrophobicContact CD1-CB 3.42Å; I73-P116 VanDerWaalsContact CD1-CB 3.42Å; I73-P116 HydrophobicContact CD1-CG 3.55Å
74S95.1Very high96.5Very high20 Ų2051.1 Ų51.114%0.1426%0.26CS..  trans-66.2160.6176.172.30000111.7E76 G77 W78S74-E76 WeakPolarHBondContact CB-OE2 3.33Å; S74-E76 PolarHBondContact O-N 3.38Å; S74-E76 VanDerWaalsContact O-N 3.1Å; S74-E76 PolarHBondContact OG-N 3.4Å; S74-E76 PolarHBondContact OG-OE2 3.45Å; S74-G77 PolarHBondContact O-N 3.46Å; S74-G77 PolarHBondContact OG-N 3.33Å; S74-W78 PolarHBondContact N-O 3.07Å; S74-W78 PolarHBondContact OG-N 3.34Å; S74-W78 VanDerWaalsContact OG-N 3.07Å; S74-W78 PolarHBondContact OG-NE1 2.83Å; S74-W78 PolarHBondContact OG-O 3.26Å
75R92.7Very high96.4Very high248 Ų24850.8 Ų50.894%0.93626%0.256SS*.THydrogen-bonded Turntrans-58.6-26.5175.2-66.5-176.5174.6-165.6-2.1112.4G77R75-G77 VanDerWaalsContact C-N 3.31Å
76E92.9Very high96.1Very high63 Ų6348.6 Ų48.629%0.29424%0.238SC..THydrogen-bonded Turntrans-85.6-3.9-179.5-56.782.3165.700113.1S74 R197 V200 R221S74-E76 WeakPolarHBondContact CB-OE2 3.33Å; S74-E76 PolarHBondContact O-N 3.38Å; S74-E76 VanDerWaalsContact O-N 3.1Å; S74-E76 PolarHBondContact OG-N 3.4Å; S74-E76 PolarHBondContact OG-OE2 3.45Å; E76-R197 IonicContact OE1-CZ 3.6Å; E76-R197 IonicContact OE1-NE 2.81Å; E76-R197 IonicContact OE1-NH2 3.42Å; E76-R197 PolarHBondContact OE1-NH2 2.87Å; E76-R197 IonicContact OE2-CZ 3.93Å; E76-R197 IonicContact OE2-NE 3.45Å; E76-R197 IonicContact OE2-NH2 3.58Å; E76-R197 PolarHBondContact OE2-NH2 3.03Å; E76-V200 HydrophobicContact CB-CG1 4.47Å; E76-R221 PolarHBondContact O-NH1 3.11Å
77G94.1Very high95.8Very high18 Ų1849.2 Ų49.219%0.18624%0.238CC..SBendtrans92.622.7170.800000115.1S74 R75 V113S74-G77 PolarHBondContact O-N 3.46Å; S74-G77 PolarHBondContact OG-N 3.33Å; R75-G77 VanDerWaalsContact C-N 3.31Å; G77-V113 PolarHBondContact O-N 3.47Å
78W96.2Very high95.3Very high11 Ų1154.6 Ų54.64%0.04227%0.269CS..EExtended strand (participates in β ladder)trans-109.3145.9175.755.3-100.2000112.1I73 S74 P80 E110 R111 F112 Y186 R197 P198I73-W78 WeakPolarHBondContact CA-O 3.41Å; S74-W78 PolarHBondContact N-O 3.07Å; S74-W78 PolarHBondContact OG-N 3.34Å; S74-W78 VanDerWaalsContact OG-N 3.07Å; S74-W78 PolarHBondContact OG-NE1 2.83Å; S74-W78 PolarHBondContact OG-O 3.26Å; W78-P80 HydrophobicContact CZ3-CB 3.96Å; W78-E110 HydrophobicContact CE3-CB 4.06Å; W78-R111 CarbonylContact C-O 3.55Å; W78-R111 VanDerWaalsContact CA-O 3.24Å; W78-R111 WeakPolarHBondContact CA-O 3.49Å; W78-R111 WeakPolarHBondContact CB-O 3.43Å; W78-F112 HydrophobicContact CB-CD1 3.96Å; W78-F112 HydrophobicContact CB-CE1 4.23Å; W78-Y186 HydrophobicContact CH2-CE1 4.06Å; W78-Y186 HydrophobicContact CZ3-CE1 4.12Å; W78-R197 HydrophobicContact CH2-CG 4.14Å; W78-R197 HydrophobicContact CZ2-CG 3.7Å; W78-P198 HydrophobicContact CD2-CG 4Å; W78-P198 HydrophobicContact CE3-CG 4.38Å; W78-P198 HydrophobicContact CH2-CG 4.08Å; W78-P198 HydrophobicContact CZ2-CG 3.61Å; W78-P198 HydrophobicContact CZ3-CG 4.43Å
79L97.4Very high94.8Very high0 Ų055.3 Ų55.30%027%0.274CS..EExtended strand (participates in β ladder)trans-82.8139.7165.5-79.5169.4000110I73 E110 R111 V113 P117 M183I73-L79 HydrophobicContact CD1-CD2 4.37Å; I73-L79 HydrophobicContact CG1-CD2 3.55Å; I73-L79 HydrophobicContact CG1-CG 4.16Å; L79-E110 WeakPolarHBondContact O-CA 3.5Å; L79-E110 WeakPolarHBondContact O-CB 3.28Å; L79-R111 PolarHBondContact N-O 3.09Å; L79-R111 PolarHBondContact O-N 3.24Å; L79-V113 HydrophobicContact CD1-CG1 3.51Å; L79-V113 HydrophobicContact CD1-CG2 4.41Å; L79-V113 HydrophobicContact CG-CG1 3.92Å; L79-V113 HydrophobicContact CG-CG2 4.05Å; L79-P117 HydrophobicContact CD1-CG 3.63Å; L79-P117 HydrophobicContact CD2-CG 4.36Å; L79-M183 HydrophobicContact CD2-SD 4.15Å
80P98Very high94.3Very high4 Ų458 Ų583%0.02630%0.297CS..PPolyproline II helixtrans-63.6163.4179.625.9-35.5000112.1L72 W78 M183 Y186L72-P80 HydrophobicContact CB-CG 4.31Å; L72-P80 WeakPolarHBondContact O-CD 3.27Å; W78-P80 HydrophobicContact CZ3-CB 3.96Å; P80-M183 HydrophobicContact CG-CB 3.71Å; P80-M183 HydrophobicContact CG-CG 3.87Å; P80-M183 HydrophobicContact CG-SD 4.46Å; P80-Y186 HydrophobicContact CB-CD1 3.24Å; P80-Y186 HydrophobicContact CB-CE1 3.74Å; P80-Y186 HydrophobicContact CB-CG 3.74Å; P80-Y186 HydrophobicContact CG-CD1 4.27Å
81P98.3Very high93.9Very high0 Ų055.4 Ų55.40%029%0.291CS..PPolyproline II helixtrans-60.5154.9170.730-37.4000111I106 R108 Y186 A227P81-I106 HydrophobicContact CB-CG2 3.92Å; P81-R108 CarbonylContact C-O 3.58Å; P81-R108 WeakPolarHBondContact CA-O 2.96Å; P81-R108 VanDerWaalsContact CB-O 3.27Å; P81-R108 WeakPolarHBondContact CB-O 3.34Å; P81-Y186 VanDerWaalsContact CD-CD2 3.49Å; P81-Y186 HydrophobicContact CG-CD2 3.26Å; P81-Y186 HydrophobicContact CG-CE2 3.74Å; P81-Y186 HydrophobicContact CG-CG 3.83Å; P81-A227 HydrophobicContact CG-CB 4.02Å
82V98.5Very high93.6Very high0 Ų056.2 Ų56.20%029%0.289CS..EExtended strand (participates in β ladder)trans-90.1115.9169.91760000108.1L107 R108 D179 M183V82-L107 HydrophobicContact CG1-CB 4.28Å; V82-L107 HydrophobicContact CG1-CD1 4.38Å; V82-L107 PolarHBondContact O-N 3.34Å; V82-R108 HydrophobicContact CB-CB 4.08Å; V82-R108 HydrophobicContact CG2-CB 4.17Å; V82-R108 PolarHBondContact N-O 3.25Å; V82-R108 PolarHBondContact O-N 2.64Å; V82-D179 HydrophobicContact CG1-CB 4.34Å; V82-D179 HydrophobicContact CG2-CB 3.97Å; V82-M183 HydrophobicContact CG2-CE 3.64Å; V82-M183 HydrophobicContact CG2-CG 4.11Å
83I98.3Very high93.4Very high3 Ų359 Ų592%0.01530%0.301CS..EExtended strand (participates in β ladder)trans-101.9133.7176.6-55.1179.7000110.1W104 T105 I106 G182 L185 Y186 L189 I195 F229I83-W104 HydrophobicContact CG2-CB 3.98Å; I83-W104 HydrophobicContact CG2-CG 4.37Å; I83-T105 CarbonylContact C-O 3.5Å; I83-T105 WeakPolarHBondContact CA-O 3.21Å; I83-I106 HydrophobicContact CG1-CG1 4.49Å; I83-G182 PolarHBondContact N-O 2.66Å; I83-G182 WeakPolarHBondContact O-CA 3.21Å; I83-L185 HydrophobicContact CB-CD2 4.09Å; I83-L185 HydrophobicContact CB-CG 4.36Å; I83-L185 HydrophobicContact CG2-CD2 3.73Å; I83-L185 HydrophobicContact CG2-CG 4.26Å; I83-Y186 HydrophobicContact CD1-CD2 4.18Å; I83-Y186 HydrophobicContact CD1-CG 4.45Å; I83-L189 HydrophobicContact CD1-CD1 3.74Å; I83-L189 HydrophobicContact CG2-CD1 4.23Å; I83-I195 HydrophobicContact CD1-CD1 3.74Å; I83-F229 HydrophobicContact CD1-CE1 4.25Å; I83-F229 HydrophobicContact CG2-CE1 4.4Å; I83-F229 HydrophobicContact CG2-CZ 4.13Å
84D97Very high93.2Very high65 Ų6564.1 Ų64.135%0.34834%0.337SS..EExtended strand (participates in β ladder)trans-97.7145.7167-16044000110.2W104 T105 L107D84-W104 CarbonylContact O-C 3.4Å; D84-W104 VanDerWaalsContact O-CA 3.24Å; D84-W104 WeakPolarHBondContact O-CA 3.19Å; D84-T105 PolarHBondContact N-O 3.08Å; D84-T105 PolarHBondContact O-N 3.25Å; D84-L107 HydrophobicContact CB-CD1 3.67Å; D84-L107 HydrophobicContact CB-CD2 4.01Å; D84-L107 HydrophobicContact CB-CG 3.72Å
85E95Very high93.1Very high60 Ų6069.9 Ų69.928%0.2837%0.366SS..EExtended strand (participates in β ladder)trans-122.4119.8172.7-179175.9154.600109.1Q87 R102 V103 W104 L185E85-Q87 HydrophobicContact CG-CG 4.35Å; E85-Q87 PolarHBondContact OE1-NE2 2.88Å; E85-R102 VanDerWaalsContact OE1-CD 3.29Å; E85-R102 WeakPolarHBondContact OE1-CD 3.27Å; E85-R102 IonicContact OE1-CZ 3.69Å; E85-R102 IonicContact OE1-NE 2.71Å; E85-R102 PolarHBondContact OE1-NE 3.27Å; E85-V103 WeakPolarHBondContact CA-O 3.46Å; E85-W104 PolarHBondContact OE2-NE1 3.38Å; E85-W104 VanDerWaalsContact OE2-NE1 3.07Å; E85-L185 HydrophobicContact CB-CD2 3.93Å
86A92.3Very high93Very high36 Ų3661 Ų6130%0.29834%0.335SS..EExtended strand (participates in β ladder)trans-105.5136.4167.400000109.2V89 R102 V103A86-V89 HydrophobicContact CB-CG2 3.53Å; A86-R102 CarbonylContact O-C 3.59Å; A86-R102 VanDerWaalsContact O-CA 3.32Å; A86-R102 WeakPolarHBondContact O-CA 3.36Å; A86-V103 HydrophobicContact CB-CB 4.49Å; A86-V103 PolarHBondContact N-O 2.94Å; A86-V103 PolarHBondContact O-N 2.86Å
87Q90.3Very high92.8Very high114 Ų11463.6 Ų63.653%0.53335%0.35SS..EExtended strand (participates in β ladder)trans-109.1151.9177.8-60.9-175.6-9.700109.8E85 V89 S101 R102E85-Q87 HydrophobicContact CG-CG 4.35Å; E85-Q87 PolarHBondContact OE1-NE2 2.88Å; Q87-V89 VanDerWaalsContact C-N 3.3Å; Q87-V89 PolarHBondContact O-N 2.76Å; Q87-S101 WeakPolarHBondContact CA-O 3.43Å; Q87-R102 HydrophobicContact CG-CG 4.35Å
88D87.8Confident92.5Very high136 Ų13670.2 Ų70.273%0.72737%0.369SS*.EExtended strand (participates in β ladder)trans50.747175.4-56.6-43.9000113.7A90 S101D88-A90 PolarHBondContact O-N 2.79Å; D88-S101 PolarHBondContact N-O 2.85Å; D88-S101 VanDerWaalsContact N-O 3.08Å
89V84.6Confident92.2Very high52 Ų5275.3 Ų75.332%0.31540%0.401SS..EExtended strand (participates in β ladder)trans-79.2125.1-177.5-177.20000109.4A86 Q87 T99 A100 V103A86-V89 HydrophobicContact CB-CG2 3.53Å; Q87-V89 VanDerWaalsContact C-N 3.3Å; Q87-V89 PolarHBondContact O-N 2.76Å; V89-T99 CarbonylContact O-C 3.52Å; V89-T99 VanDerWaalsContact O-CA 3.29Å; V89-T99 WeakPolarHBondContact O-CA 3.36Å; V89-A100 PolarHBondContact N-O 3.02Å; V89-A100 PolarHBondContact O-N 2.87Å; V89-V103 HydrophobicContact CB-CG2 4.04Å; V89-V103 HydrophobicContact CG1-CG2 4.47Å; V89-V103 HydrophobicContact CG2-CB 4.28Å; V89-V103 HydrophobicContact CG2-CG2 3.85Å
90A88.1Confident91.7Very high57 Ų5777.1 Ų77.147%0.47142%0.416SS..EExtended strand (participates in β ladder)trans-112.2125.3167.500000109.9D88 R98 T99D88-A90 PolarHBondContact O-N 2.79Å; A90-R98 CarbonylContact C-O 3.6Å; A90-R98 WeakPolarHBondContact CA-O 3.43Å; A90-T99 HydrophobicContact CB-CG2 4.24Å
91H88Confident91.3Very high109 Ų10981.4 Ų81.451%0.50545%0.446SS..EExtended strand (participates in β ladder)trans-106.5113.7167.7-174.770000108.8R98H91-R98 HydrophobicContact CB-CB 4.43Å; H91-R98 PolarHBondContact N-O 3.25Å; H91-R98 PolarHBondContact O-N 3.25Å
92I89.2Confident91Very high119 Ų11988.1 Ų88.161%0.6147%0.472SS*.EExtended strand (participates in β ladder)trans-107.9115.6-175.4-56.9173.5000108.2I97I92-I97 HydrophobicContact CG1-CG1 4.32Å; I92-I97 HydrophobicContact CG1-CG2 4.34Å; I92-I97 HydrophobicContact CG2-CG1 4.27Å
93Q91Very high90.8Very high88 Ų8890.8 Ų90.841%0.41149%0.488SS..EExtended strand (participates in β ladder)trans-102.7161.8161.9-64.4-164108.200108.9D95 Q96Q93-D95 PolarHBondContact O-N 3.48Å; Q93-Q96 HydrophobicContact CB-CB 4.48Å; Q93-Q96 PolarHBondContact N-O 2.88Å; Q93-Q96 PolarHBondContact O-N 3.04Å
94P92.1Very high90.7Very high144 Ų14493.4 Ų93.494%0.93550%0.498SS*.THydrogen-bonded Turntrans-53.1-30.5-179.1-28.536.2000114.7
95D93.9Very high90.7Very high140 Ų14093.5 Ų93.575%0.74950%0.501SS*.THydrogen-bonded Turntrans-110.7-4.3-175.865.9-32.1000114.1Q93Q93-D95 PolarHBondContact O-N 3.48Å
96Q91Very high90.8Very high61 Ų6193.2 Ų93.229%0.28550%0.5SS..EExtended strand (participates in β ladder)trans-154.3130.5-169.8-170.8-157.5-115.700112.6Q93 R98Q93-Q96 HydrophobicContact CB-CB 4.48Å; Q93-Q96 PolarHBondContact N-O 2.88Å; Q93-Q96 PolarHBondContact O-N 3.04Å; Q96-R98 VanDerWaalsContact CD-NE 3.27Å; Q96-R98 HydrophobicContact CG-CG 4.32Å; Q96-R98 VanDerWaalsContact OE1-NE 3.1Å
97I87.9Confident91.1Very high119 Ų11994.8 Ų94.861%0.6150%0.503SS*.EExtended strand (participates in β ladder)trans-107.6122.5168.2-58.3176.1000108.5I92 T99I92-I97 HydrophobicContact CG1-CG1 4.32Å; I92-I97 HydrophobicContact CG1-CG2 4.34Å; I92-I97 HydrophobicContact CG2-CG1 4.27Å; I97-T99 HydrophobicContact CG2-CG2 4.11Å
98R88.7Confident91.4Very high157 Ų15792.4 Ų92.459%0.59249%0.489SS*.EExtended strand (participates in β ladder)trans-109.2124.9169.7-71.4-177.4-177.3-171.45.4109.3A90 H91 Q96A90-R98 CarbonylContact C-O 3.6Å; A90-R98 WeakPolarHBondContact CA-O 3.43Å; H91-R98 HydrophobicContact CB-CB 4.43Å; H91-R98 PolarHBondContact N-O 3.25Å; H91-R98 PolarHBondContact O-N 3.25Å; Q96-R98 VanDerWaalsContact CD-NE 3.27Å; Q96-R98 HydrophobicContact CG-CG 4.32Å; Q96-R98 VanDerWaalsContact OE1-NE 3.1Å
99T88.4Confident91.9Very high117 Ų11788.9 Ų88.972%0.71847%0.474SS*.EExtended strand (participates in β ladder)trans-112.3145.3173.854.40000110.5V89 A90 I97V89-T99 CarbonylContact O-C 3.52Å; V89-T99 VanDerWaalsContact O-CA 3.29Å; V89-T99 WeakPolarHBondContact O-CA 3.36Å; A90-T99 HydrophobicContact CB-CG2 4.24Å; I97-T99 HydrophobicContact CG2-CG2 4.11Å
100A87.5Confident92.5Very high38 Ų3886.6 Ų86.631%0.31446%0.46SS..EExtended strand (participates in β ladder)trans-139.6129.7174.400000109.5V89 R102 V103V89-A100 PolarHBondContact N-O 3.02Å; V89-A100 PolarHBondContact O-N 2.87Å; A100-R102 VanDerWaalsContact C-N 3.3Å; A100-R102 PolarHBondContact O-N 2.92Å; A100-V103 HydrophobicContact CB-CG2 3.8Å
101S90.2Very high93Very high94 Ų9487.9 Ų87.966%0.65745%0.453SS*.EExtended strand (participates in β ladder)trans-64.2-37.5176.9-500000111.9Q87 D88Q87-S101 WeakPolarHBondContact CA-O 3.43Å; D88-S101 PolarHBondContact N-O 2.85Å; D88-S101 VanDerWaalsContact N-O 3.08Å
102R91.4Very high93.4Very high142 Ų14286.2 Ų86.254%0.53644%0.444SS..EExtended strand (participates in β ladder)trans-144.6139.1176.8-66.2-172.5178.5165.30.7111.3E85 A86 Q87 A100 W104E85-R102 VanDerWaalsContact OE1-CD 3.29Å; E85-R102 WeakPolarHBondContact OE1-CD 3.27Å; E85-R102 IonicContact OE1-CZ 3.69Å; E85-R102 IonicContact OE1-NE 2.71Å; E85-R102 PolarHBondContact OE1-NE 3.27Å; A86-R102 CarbonylContact O-C 3.59Å; A86-R102 VanDerWaalsContact O-CA 3.32Å; A86-R102 WeakPolarHBondContact O-CA 3.36Å; Q87-R102 HydrophobicContact CG-CG 4.35Å; A100-R102 VanDerWaalsContact C-N 3.3Å; A100-R102 PolarHBondContact O-N 2.92Å; R102-W104 HydrophobicContact CB-CH2 4.22Å; R102-W104 HydrophobicContact CB-CZ2 4.16Å
103V93.5Very high93.7Very high55 Ų5582.1 Ų82.133%0.33343%0.425SS..EExtended strand (participates in β ladder)trans-126.8120.5171.5-179.80000108.1E85 A86 V89 A100E85-V103 WeakPolarHBondContact CA-O 3.46Å; A86-V103 HydrophobicContact CB-CB 4.49Å; A86-V103 PolarHBondContact N-O 2.94Å; A86-V103 PolarHBondContact O-N 2.86Å; V89-V103 HydrophobicContact CB-CG2 4.04Å; V89-V103 HydrophobicContact CG1-CG2 4.47Å; V89-V103 HydrophobicContact CG2-CB 4.28Å; V89-V103 HydrophobicContact CG2-CG2 3.85Å; A100-V103 HydrophobicContact CB-CG2 3.8Å
104W96.1Very high93.6Very high59 Ų5983.6 Ų83.622%0.22345%0.445CS..EExtended strand (participates in β ladder)trans-101.9135.4172.4-63.2-68.1000110.9I83 D84 E85 R102 L189 M194 F229I83-W104 HydrophobicContact CG2-CB 3.98Å; I83-W104 HydrophobicContact CG2-CG 4.37Å; D84-W104 CarbonylContact O-C 3.4Å; D84-W104 VanDerWaalsContact O-CA 3.24Å; D84-W104 WeakPolarHBondContact O-CA 3.19Å; E85-W104 PolarHBondContact OE2-NE1 3.38Å; E85-W104 VanDerWaalsContact OE2-NE1 3.07Å; R102-W104 HydrophobicContact CB-CH2 4.22Å; R102-W104 HydrophobicContact CB-CZ2 4.16Å; W104-L189 HydrophobicContact CD2-CD1 4.3Å; W104-L189 HydrophobicContact CD2-CD2 4.41Å; W104-L189 HydrophobicContact CG-CD1 4.08Å; W104-L189 HydrophobicContact CZ2-CD2 4.12Å; W104-M194 HydrophobicContact CE3-CE 3.97Å; W104-M194 HydrophobicContact CH2-CE 3.41Å; W104-M194 VanDerWaalsContact CH2-CE 3.41Å; W104-M194 HydrophobicContact CH2-SD 4.48Å; W104-M194 HydrophobicContact CZ2-CE 4.38Å; W104-M194 HydrophobicContact CZ3-CE 3.17Å; W104-F229 HydrophobicContact CB-CE1 3.68Å; W104-F229 HydrophobicContact CB-CE2 4.38Å; W104-F229 HydrophobicContact CB-CZ 3.55Å; W104-F229 WeakPolarHBondContact O-CE2 2.85Å
105T97.3Very high93.6Very high67 Ų6782.5 Ų82.541%0.41143%0.431SS..EExtended strand (participates in β ladder)trans-130.4131.4178.8-56.60000110.4I83 D84 L107I83-T105 CarbonylContact C-O 3.5Å; I83-T105 WeakPolarHBondContact CA-O 3.21Å; D84-T105 PolarHBondContact N-O 3.08Å; D84-T105 PolarHBondContact O-N 3.25Å; T105-L107 HydrophobicContact CG2-CD2 4.12Å; T105-L107 PolarHBondContact O-N 2.9Å
106I98.2Very high93.6Very high53 Ų5379 Ų7927%0.27242%0.416SS..EExtended strand (participates in β ladder)trans-77.1106.5169.3-62.8169.7000107.9P81 I83 I195 A227 F229P81-I106 HydrophobicContact CB-CG2 3.92Å; I83-I106 HydrophobicContact CG1-CG1 4.49Å; I106-I195 HydrophobicContact CD1-CD1 3.91Å; I106-I195 HydrophobicContact CG1-CD1 4.27Å; I106-A227 VanDerWaalsContact CD1-O 3.27Å; I106-A227 WeakPolarHBondContact CD1-O 3.46Å; I106-F229 HydrophobicContact CD1-CD2 4.44Å; I106-F229 HydrophobicContact CD1-CE2 4.14Å; I106-F229 HydrophobicContact CD1-CZ 4.42Å; I106-F229 HydrophobicContact CG1-CE2 3.73Å; I106-F229 HydrophobicContact CG1-CZ 3.77Å
107L97.7Very high93.8Very high69 Ų6976.9 Ų76.936%0.36141%0.408SS..EExtended strand (participates in β ladder)trans-81.6-28.7178.4-61.9-174.6000113.1V82 D84 T105 R178V82-L107 HydrophobicContact CG1-CB 4.28Å; V82-L107 HydrophobicContact CG1-CD1 4.38Å; V82-L107 PolarHBondContact O-N 3.34Å; D84-L107 HydrophobicContact CB-CD1 3.67Å; D84-L107 HydrophobicContact CB-CD2 4.01Å; D84-L107 HydrophobicContact CB-CG 3.72Å; T105-L107 HydrophobicContact CG2-CD2 4.12Å; T105-L107 PolarHBondContact O-N 2.9Å; L107-R178 HydrophobicContact CD1-CG 4.44Å
108R97.4Very high94.2Very high64 Ų6472.3 Ų72.324%0.24239%0.389CS..EExtended strand (participates in β ladder)trans-147.8129.8177.3-168.2-176-62137.79108.6P81 V82 D179P81-R108 CarbonylContact C-O 3.58Å; P81-R108 WeakPolarHBondContact CA-O 2.96Å; P81-R108 VanDerWaalsContact CB-O 3.27Å; P81-R108 WeakPolarHBondContact CB-O 3.34Å; V82-R108 HydrophobicContact CB-CB 4.08Å; V82-R108 HydrophobicContact CG2-CB 4.17Å; V82-R108 PolarHBondContact N-O 3.25Å; V82-R108 PolarHBondContact O-N 2.64Å; R108-D179 IonicContact CZ-OD2 3.31Å; R108-D179 VanDerWaalsContact CZ-OD2 3.26Å; R108-D179 IonicContact NH1-OD2 3.91Å; R108-D179 PolarHBondContact NH1-OD2 2.86Å; R108-D179 IonicContact NH2-OD1 2.71Å; R108-D179 IonicContact NH2-OD2 3.96Å; R108-D179 PolarHBondContact NH2-OD2 3.46Å
109P97.8Very high94.7Very high63 Ų6364.9 Ų64.941%0.40936%0.361SS..  trans-67163.6174.329.8-35.4000111.1
110E97.7Very high95.1Very high4 Ų463.1 Ų63.12%0.01934%0.342CS..  trans-57.2154.8168.365.7-72.9166.400112W78 L79 P198 L223 H226 A227W78-E110 HydrophobicContact CE3-CB 4.06Å; L79-E110 WeakPolarHBondContact O-CA 3.5Å; L79-E110 WeakPolarHBondContact O-CB 3.28Å; E110-P198 HydrophobicContact CG-CB 3.92Å; E110-P198 HydrophobicContact CG-CG 3.91Å; E110-L223 HydrophobicContact CG-CD1 3.98Å; E110-L223 HydrophobicContact CG-CD2 3.73Å; E110-H226 WeakPolarHBondContact OE1-CA 3.29Å; E110-H226 WeakPolarHBondContact OE1-CB 3.45Å; E110-H226 IonicContact OE1-CE1 3.27Å; E110-H226 IonicContact OE1-CG 3.13Å; E110-H226 IonicContact OE1-ND1 3.7Å; E110-H226 PolarHBondContact OE1-ND1 2.98Å; E110-A227 PolarHBondContact OE1-N 3.46Å; E110-A227 WeakPolarHBondContact OE2-CB 3.36Å; E110-A227 PolarHBondContact OE2-N 3.22Å
111R97.5Very high95.6Very high84 Ų8465.4 Ų65.432%0.31735%0.348SS..EExtended strand (participates in β ladder)trans-149.2148.417766.2-176.8-176.7-77.8-2.2110.9W78 L79 V113W78-R111 CarbonylContact C-O 3.55Å; W78-R111 VanDerWaalsContact CA-O 3.24Å; W78-R111 WeakPolarHBondContact CA-O 3.49Å; W78-R111 WeakPolarHBondContact CB-O 3.43Å; L79-R111 PolarHBondContact N-O 3.09Å; L79-R111 PolarHBondContact O-N 3.24Å; R111-V113 HydrophobicContact CG-CG1 4.41Å
112F96.6Very high96Very high73 Ų7361 Ų6132%0.3232%0.317SS..EExtended strand (participates in β ladder)trans-64.3144.2168-68.5-65.3000110.9W78 V200 R221 L223W78-F112 HydrophobicContact CB-CD1 3.96Å; W78-F112 HydrophobicContact CB-CE1 4.23Å; F112-V200 HydrophobicContact CE1-CG1 4.29Å; F112-V200 HydrophobicContact CZ-CG1 3.88Å; F112-V200 HydrophobicContact CZ-CG2 4.29Å; F112-R221 HydrophobicContact CE1-CB 4.11Å; F112-R221 HydrophobicContact CE2-CB 4.24Å; F112-R221 HydrophobicContact CZ-CB 3.75Å; F112-L223 HydrophobicContact CD2-CD1 4.37Å; F112-L223 HydrophobicContact CD2-CG 4.3Å; F112-L223 HydrophobicContact CE2-CD1 4.26Å; F112-L223 HydrophobicContact CE2-CG 3.71Å; F112-L223 HydrophobicContact CZ-CD2 4.38Å; F112-L223 HydrophobicContact CZ-CG 4.03Å
113V95.2Very high96.3Very high33 Ų3354.5 Ų54.520%0.229%0.293CS..  trans-131.8140.3171.7-65.90000109.4I73 G77 L79 R111 N115I73-V113 HydrophobicContact CD1-CG2 4.17Å; I73-V113 HydrophobicContact CG1-CG2 4.3Å; I73-V113 HydrophobicContact CG2-CG2 4.44Å; G77-V113 PolarHBondContact O-N 3.47Å; L79-V113 HydrophobicContact CD1-CG1 3.51Å; L79-V113 HydrophobicContact CD1-CG2 4.41Å; L79-V113 HydrophobicContact CG-CG1 3.92Å; L79-V113 HydrophobicContact CG-CG2 4.05Å; R111-V113 HydrophobicContact CG-CG1 4.41Å; V113-N115 WeakPolarHBondContact CB-O 3.29Å
114S90.5Very high96.5Very high119 Ų11954.2 Ų54.283%0.83229%0.29SS*.SBendtrans-76.9-36.2174.449.50000111.7
115N91.3Very high96.6Very high121 Ų12155.6 Ų55.665%0.64730%0.295SS*.SBendtrans-132.7151.8176.3-64.6-63.9000109.7V113V113-N115 WeakPolarHBondContact CB-O 3.29Å
116P93.4Very high96.5Very high66 Ų6655 Ų5543%0.42930%0.302SS..  trans-55.2128.4169.2-2131.1000110.8R70 I73R70-P116 HydrophobicContact CG-CB 3.78Å; R70-P116 HydrophobicContact CG-CG 3.87Å; I73-P116 VanDerWaalsContact CD1-CA 3.42Å; I73-P116 HydrophobicContact CD1-CB 3.42Å; I73-P116 VanDerWaalsContact CD1-CB 3.42Å; I73-P116 HydrophobicContact CD1-CG 3.55Å
117P96.1Very high96.5Very high18 Ų1853.2 Ų53.212%0.11729%0.293CS..  trans-72161.6175.538.5-41.7000109.5F69 L79 D121 W122F69-P117 HydrophobicContact CB-CG 3.94Å; F69-P117 HydrophobicContact CD1-CG 4.06Å; F69-P117 HydrophobicContact CD2-CG 4.22Å; F69-P117 VanDerWaalsContact CD2-O 3.26Å; F69-P117 WeakPolarHBondContact CD2-O 3.32Å; F69-P117 HydrophobicContact CG-CG 3.82Å; L79-P117 HydrophobicContact CD1-CG 3.63Å; L79-P117 HydrophobicContact CD2-CG 4.36Å; P117-D121 VanDerWaalsContact CA-OD2 3.31Å; P117-D121 WeakPolarHBondContact CA-OD2 3.36Å; P117-D121 HydrophobicContact CB-CB 4.45Å; P117-D121 WeakPolarHBondContact CB-OD2 3.17Å; P117-W122 HydrophobicContact CB-CH2 3.93Å; P117-W122 HydrophobicContact CB-CZ3 3.68Å; P117-W122 HydrophobicContact CG-CH2 3.81Å; P117-W122 HydrophobicContact CG-CZ3 3.94Å
118G96.6Very high96.3Very high22 Ų2252.5 Ų52.523%0.22729%0.294CS..  trans-123.9176.9175.100000111.8R120 D121 W122G118-R120 PolarHBondContact O-N 2.93Å; G118-D121 PolarHBondContact N-OD2 2.87Å; G118-D121 WeakPolarHBondContact O-CB 3.23Å; G118-D121 PolarHBondContact O-N 3.49Å; G118-D121 VanDerWaalsContact O-N 3.08Å; G118-W122 VanDerWaalsContact O-CE3 3.23Å; G118-W122 WeakPolarHBondContact O-CZ3 3.38Å
119W98.3Very high96.2Very high1 Ų153 Ų530%0.00430%0.304CS..Hα-helixtrans-53.6-29.3175.260.1-96000112.8L56 E60 L63 N64 Y67 D121 W122 L123 L124 L176L56-W119 HydrophobicContact CB-CH2 3.89Å; L56-W119 HydrophobicContact CB-CZ3 3.74Å; L56-W119 HydrophobicContact CD1-CZ3 4.23Å; L56-W119 HydrophobicContact CG-CZ3 4.45Å; E60-W119 HydrophobicContact CB-CZ2 4.24Å; E60-W119 HydrophobicContact CG-CZ2 4.37Å; L63-W119 HydrophobicContact CB-CB 4.31Å; L63-W119 HydrophobicContact CB-CD2 3.96Å; L63-W119 HydrophobicContact CB-CG 3.64Å; L63-W119 HydrophobicContact CD1-CD2 3.72Å; L63-W119 HydrophobicContact CD1-CE3 3.92Å; L63-W119 HydrophobicContact CD1-CG 4.22Å; L63-W119 HydrophobicContact CD1-CH2 4.19Å; L63-W119 HydrophobicContact CD1-CZ2 4.02Å; L63-W119 HydrophobicContact CD1-CZ3 4.15Å; L63-W119 HydrophobicContact CG-CD2 4.42Å; L63-W119 HydrophobicContact CG-CG 4.43Å; N64-W119 VanDerWaalsContact OD1-CD1 3.24Å; N64-W119 PolarHBondContact OD1-NE1 2.99Å; Y67-W119 HydrophobicContact CD2-CB 4.2Å; W119-D121 VanDerWaalsContact C-N 3.3Å; W119-D121 PolarHBondContact O-N 3.35Å; W119-W122 PolarHBondContact O-N 3.01Å; W119-L123 HydrophobicContact CB-CD1 4.3Å; W119-L123 HydrophobicContact CE3-CB 4.17Å; W119-L123 HydrophobicContact CE3-CD1 3.83Å; W119-L123 HydrophobicContact CE3-CG 4.3Å; W119-L123 WeakPolarHBondContact O-CG 3.27Å; W119-L123 PolarHBondContact O-N 3.25Å; W119-L124 HydrophobicContact CZ3-CD2 4.21Å; W119-L176 HydrophobicContact CB-CD2 3.98Å
120R97.7Very high95.9Very high80 Ų8054.4 Ų54.430%0.30231%0.312SS..Hα-helixtrans-58.9-40.4178.8-71.8-175171.796.5-2.5112.5N57 E60 G118 W122 L124N57-R120 PolarHBondContact OD1-NE 3.14Å; N57-R120 PolarHBondContact OD1-NH2 2.8Å; E60-R120 VanDerWaalsContact CD-NH1 3.31Å; E60-R120 IonicContact OE1-CZ 3.27Å; E60-R120 IonicContact OE1-NH1 3.27Å; E60-R120 PolarHBondContact OE1-NH1 2.8Å; E60-R120 IonicContact OE1-NH2 2.62Å; E60-R120 PolarHBondContact OE1-NH2 3.43Å; E60-R120 IonicContact OE2-CZ 3.43Å; E60-R120 IonicContact OE2-NH1 2.8Å; E60-R120 IonicContact OE2-NH2 2.87Å; E60-R120 PolarHBondContact OE2-NH2 2.91Å; G118-R120 PolarHBondContact O-N 2.93Å; R120-W122 PolarHBondContact O-N 2.94Å; R120-W122 VanDerWaalsContact O-N 3.09Å; R120-L124 HydrophobicContact CB-CD1 3.93Å; R120-L124 HydrophobicContact CB-CG 4.26Å; R120-L124 HydrophobicContact CG-CD1 4Å; R120-L124 HydrophobicContact CG-CG 4.48Å; R120-L124 WeakPolarHBondContact O-CB 3.4Å; R120-L124 WeakPolarHBondContact O-CG 3.31Å; R120-L124 PolarHBondContact O-N 3.34Å
121D97.1Very high95.3Very high86 Ų8656.5 Ų56.546%0.4633%0.329SS..Hα-helixtrans-59.3-25.5178.8-66.1-73.8000111.9P117 G118 W119 R125P117-D121 VanDerWaalsContact CA-OD2 3.31Å; P117-D121 WeakPolarHBondContact CA-OD2 3.36Å; P117-D121 HydrophobicContact CB-CB 4.45Å; P117-D121 WeakPolarHBondContact CB-OD2 3.17Å; G118-D121 PolarHBondContact N-OD2 2.87Å; G118-D121 WeakPolarHBondContact O-CB 3.23Å; G118-D121 PolarHBondContact O-N 3.49Å; G118-D121 VanDerWaalsContact O-N 3.08Å; W119-D121 VanDerWaalsContact C-N 3.3Å; W119-D121 PolarHBondContact O-N 3.35Å; D121-R125 WeakPolarHBondContact O-CD 3.24Å; D121-R125 WeakPolarHBondContact O-CG 3.47Å; D121-R125 PolarHBondContact O-NE 2.93Å; D121-R125 PolarHBondContact O-NH1 3.3Å
122W98.4Very high94.5Very high1 Ų157 Ų570%0.00434%0.342CS..Hα-helixtrans-98.4-56.2175.9-74-112.4000114.1F69 P117 G118 W119 R120 L124 R125 N172 L176 D179 M183F69-W122 HydrophobicContact CD1-CH2 4.24Å; F69-W122 HydrophobicContact CD2-CZ3 4.4Å; F69-W122 AromaticContact CE1-CH2 3.53Å; F69-W122 HydrophobicContact CE1-CH2 3.53Å; F69-W122 HydrophobicContact CE1-CZ2 4.1Å; F69-W122 AromaticContact CE1-CZ3 3.95Å; F69-W122 HydrophobicContact CE1-CZ3 3.95Å; F69-W122 HydrophobicContact CE2-CE3 4.3Å; F69-W122 HydrophobicContact CE2-CH2 4.16Å; F69-W122 AromaticContact CE2-CZ3 3.69Å; F69-W122 HydrophobicContact CE2-CZ3 3.69Å; F69-W122 HydrophobicContact CZ-CE3 4.04Å; F69-W122 AromaticContact CZ-CH2 3.49Å; F69-W122 HydrophobicContact CZ-CH2 3.49Å; F69-W122 VanDerWaalsContact CZ-CH2 3.49Å; F69-W122 HydrophobicContact CZ-CZ2 4.11Å; F69-W122 AromaticContact CZ-CZ3 3.42Å; F69-W122 HydrophobicContact CZ-CZ3 3.42Å; F69-W122 VanDerWaalsContact CZ-CZ3 3.42Å; P117-W122 HydrophobicContact CB-CH2 3.93Å; P117-W122 HydrophobicContact CB-CZ3 3.68Å; P117-W122 HydrophobicContact CG-CH2 3.81Å; P117-W122 HydrophobicContact CG-CZ3 3.94Å; G118-W122 VanDerWaalsContact O-CE3 3.23Å; G118-W122 WeakPolarHBondContact O-CZ3 3.38Å; W119-W122 PolarHBondContact O-N 3.01Å; R120-W122 PolarHBondContact O-N 2.94Å; R120-W122 VanDerWaalsContact O-N 3.09Å; W122-L124 VanDerWaalsContact C-N 3.3Å; W122-L124 PolarHBondContact O-N 2.91Å; W122-R125 VanDerWaalsContact CA-CZ 3.48Å; W122-R125 PolarHBondContact O-N 3.1Å; W122-N172 WeakPolarHBondContact O-CB 3.43Å; W122-N172 VanDerWaalsContact O-CG 3.3Å; W122-N172 PolarHBondContact O-ND2 3.45Å; W122-L176 HydrophobicContact CB-CB 3.72Å; W122-L176 HydrophobicContact CB-CD1 3.95Å; W122-L176 HydrophobicContact CB-CD2 4.35Å; W122-L176 HydrophobicContact CB-CG 4.21Å; W122-L176 VanDerWaalsContact CD1-CA 3.44Å; W122-L176 HydrophobicContact CD2-CD1 3.74Å; W122-L176 HydrophobicContact CE3-CD1 3.85Å; W122-L176 HydrophobicContact CG-CB 3.92Å; W122-L176 HydrophobicContact CG-CD1 3.74Å; W122-L176 HydrophobicContact CG-CG 4.37Å; W122-D179 HydrophobicContact CZ2-CB 4.34Å; W122-D179 PolarHBondContact NE1-OD2 2.96Å; W122-M183 HydrophobicContact CZ2-CE 4.15Å
123L98.5Very high93.4Very high6 Ų659.4 Ų59.43%0.03137%0.365CS..Hα-helixtrans-67.4-31.6-167.9-62-174.3000112.5L56 L63 W119 R125 L127 L169 N172 Q173 L176L56-L123 HydrophobicContact CD1-CB 3.94Å; L56-L123 HydrophobicContact CD1-CD1 4.41Å; L56-L123 HydrophobicContact CD2-CD1 3.66Å; L63-L123 HydrophobicContact CD1-CD1 4.33Å; L63-L123 HydrophobicContact CD2-CD1 4.2Å; W119-L123 HydrophobicContact CB-CD1 4.3Å; W119-L123 HydrophobicContact CE3-CB 4.17Å; W119-L123 HydrophobicContact CE3-CD1 3.83Å; W119-L123 HydrophobicContact CE3-CG 4.3Å; W119-L123 WeakPolarHBondContact O-CG 3.27Å; W119-L123 PolarHBondContact O-N 3.25Å; L123-R125 VanDerWaalsContact C-N 3.35Å; L123-L127 WeakPolarHBondContact O-CD1 3.38Å; L123-L169 HydrophobicContact CB-CD1 4.09Å; L123-L169 HydrophobicContact CD2-CD1 4.21Å; L123-N172 HydrophobicContact CD2-CB 4.43Å; L123-N172 PolarHBondContact O-ND2 2.82Å; L123-N172 VanDerWaalsContact O-ND2 3.1Å; L123-Q173 HydrophobicContact CD2-CB 4Å; L123-L176 HydrophobicContact CD1-CD2 4.15Å; L123-L176 HydrophobicContact CD2-CB 4.35Å; L123-L176 HydrophobicContact CD2-CD2 3.76Å; L123-L176 HydrophobicContact CG-CD2 3.79Å
124L98.3Very high92.8Very high50 Ų5059.5 Ų59.526%0.26237%0.373SS..THydrogen-bonded Turntrans-83.8-8.2-176.2-54-169.9000113.8I53 L56 W119 R120 W122 G126 L127I53-L124 HydrophobicContact CG1-CD2 3.88Å; L56-L124 HydrophobicContact CD1-CD2 3.87Å; W119-L124 HydrophobicContact CZ3-CD2 4.21Å; R120-L124 HydrophobicContact CB-CD1 3.93Å; R120-L124 HydrophobicContact CB-CG 4.26Å; R120-L124 HydrophobicContact CG-CD1 4Å; R120-L124 HydrophobicContact CG-CG 4.48Å; R120-L124 WeakPolarHBondContact O-CB 3.4Å; R120-L124 WeakPolarHBondContact O-CG 3.31Å; R120-L124 PolarHBondContact O-N 3.34Å; W122-L124 VanDerWaalsContact C-N 3.3Å; W122-L124 PolarHBondContact O-N 2.91Å; L124-G126 PolarHBondContact O-N 3.35Å; L124-L127 PolarHBondContact O-N 3.36Å; L124-L127 VanDerWaalsContact O-N 3.08Å
125R97.4Very high92.4Very high88 Ų8858.5 Ų58.533%0.33236%0.361SS..THydrogen-bonded Turntrans-65.5123.2-175.2-72.5-170.1-65.1-121.33.6111.4D121 W122 L123 L127 N172D121-R125 WeakPolarHBondContact O-CD 3.24Å; D121-R125 WeakPolarHBondContact O-CG 3.47Å; D121-R125 PolarHBondContact O-NE 2.93Å; D121-R125 PolarHBondContact O-NH1 3.3Å; W122-R125 VanDerWaalsContact CA-CZ 3.48Å; W122-R125 PolarHBondContact O-N 3.1Å; L123-R125 VanDerWaalsContact C-N 3.35Å; R125-L127 PolarHBondContact O-N 3.41Å; R125-N172 PolarHBondContact O-ND2 3.19Å
126G96Very high92Very high54 Ų5453.7 Ų53.756%0.55734%0.335SS*.THydrogen-bonded Turntrans78.90-178.500000114.7L124L124-G126 PolarHBondContact O-N 3.35Å
127L97Very high91.2Very high15 Ų1553.3 Ų53.38%0.07934%0.343CS..  trans-92.598.6168.6-61.2-176.4000108.7L52 I53 L123 L124 R125 A165 T168 L169L52-L127 HydrophobicContact CB-CD1 4.48Å; L52-L127 HydrophobicContact CD1-CD2 4.47Å; I53-L127 HydrophobicContact CD1-CB 4.22Å; L123-L127 WeakPolarHBondContact O-CD1 3.38Å; L124-L127 PolarHBondContact O-N 3.36Å; L124-L127 VanDerWaalsContact O-N 3.08Å; R125-L127 PolarHBondContact O-N 3.41Å; L127-A165 HydrophobicContact CD2-CB 4.4Å; L127-T168 HydrophobicContact CD2-CG2 3.93Å; L127-T168 HydrophobicContact CG-CG2 4.42Å; L127-L169 HydrophobicContact CD1-CB 4.43Å; L127-L169 HydrophobicContact CD1-CD1 4.29Å
128S94Very high90.6Very high55 Ų5562.3 Ų62.339%0.38538%0.375SS..  trans-103.5133.9174.3-177.30000109.6A46 S49 T130A46-S128 WeakPolarHBondContact CA-O 3.41Å; S49-S128 VanDerWaalsContact CB-O 3.26Å; S49-S128 WeakPolarHBondContact CB-O 3.37Å; S128-T130 VanDerWaalsContact C-N 3.28Å; S128-T130 PolarHBondContact OG-N 3.08Å; S128-T130 PolarHBondContact OG-O 3.22Å; S128-T130 PolarHBondContact OG-OG1 3.08Å; S128-T130 VanDerWaalsContact OG-OG1 3.06Å
129T94.6Very high90.1Very high74 Ų7462.6 Ų62.645%0.45437%0.372SS..SBendtrans-85.8-2.3174.163.10000112.8W50 I53W50-T129 HydrophobicContact CB-CG2 3.78Å; W50-T129 HydrophobicContact CG-CG2 4.33Å; I53-T129 HydrophobicContact CD1-CG2 3.55Å
130T91.9Very high89.6Confident93 Ų9367 Ų6757%0.57140%0.399SS*.SBendtrans-106.8131.117557.50000110.2S128 T132S128-T130 VanDerWaalsContact C-N 3.28Å; S128-T130 PolarHBondContact OG-N 3.08Å; S128-T130 PolarHBondContact OG-O 3.22Å; S128-T130 PolarHBondContact OG-OG1 3.08Å; S128-T130 VanDerWaalsContact OG-OG1 3.06Å; T130-T132 PolarHBondContact O-N 3.25Å
131A84.7Confident89.3Confident47 Ų4764 Ų6439%0.38839%0.39SS..  trans-82.5103.3166.200000107.6R42 A46 P133R42-A131 HydrophobicContact CB-CB 4.12Å; A46-A131 HydrophobicContact CB-CB 4.02Å; A131-P133 VanDerWaalsContact O-CD 3.31Å; A131-P133 WeakPolarHBondContact O-CD 3.45Å; A131-P133 VanDerWaalsContact O-N 3.13Å
132T81.3Confident88.9Confident96 Ų9666.7 Ų66.759%0.58940%0.4SS*.  trans-55.6120.7176.2-54.10000109.2R42 T130 G134R42-T132 WeakPolarHBondContact CD-O 3.35Å; R42-T132 PolarHBondContact NH1-O 2.83Å; T130-T132 PolarHBondContact O-N 3.25Å; T132-G134 PolarHBondContact O-N 3.45Å
133P74.1Confident88.5Confident123 Ų12369.5 Ų69.580%0.79942%0.415SS*.  trans-57.2136.7176.8-2333.1000110.1A131A131-P133 VanDerWaalsContact O-CD 3.31Å; A131-P133 WeakPolarHBondContact O-CD 3.45Å; A131-P133 VanDerWaalsContact O-N 3.13Å
134G80.9Confident88.2Confident35 Ų3578 Ų7836%0.36145%0.446SS..  trans-123.4-170.8168.600000111.2R42 T132 E136R42-G134 VanDerWaalsContact NH1-CA 3.33Å; T132-G134 PolarHBondContact O-N 3.45Å; G134-E136 WeakPolarHBondContact CA-OE2 3.28Å; G134-E136 PolarHBondContact N-OE2 2.94Å; G134-E136 PolarHBondContact O-N 3.38Å
135T83.6Confident87.9Confident97 Ų9777 Ų7760%0.59545%0.445SS*.G310 helixtrans-75.3-8.1-178.650.90000112.9G137 R138T135-G137 VanDerWaalsContact C-N 3.27Å; T135-G137 PolarHBondContact O-N 2.94Å; T135-R138 VanDerWaalsContact O-CB 3.28Å; T135-R138 WeakPolarHBondContact O-CB 3.47Å; T135-R138 PolarHBondContact O-N 3.44Å
136E81.3Confident87.7Confident20 Ų2073.3 Ų73.39%0.09343%0.432CS..G310 helixtrans-64-33-175.9-50.680.6-173.800111.9A35 T38 L39 R42 G134 R138 V139A35-E136 HydrophobicContact CB-CB 3.91Å; A35-E136 HydrophobicContact CB-CG 4.31Å; T38-E136 HydrophobicContact CG2-CG 3.78Å; T38-E136 VanDerWaalsContact CG2-OE1 3.25Å; T38-E136 WeakPolarHBondContact CG2-OE1 3.49Å; L39-E136 HydrophobicContact CB-CB 4.26Å; R42-E136 IonicContact CZ-OE1 2.78Å; R42-E136 VanDerWaalsContact CZ-OE1 3.31Å; R42-E136 IonicContact CZ-OE2 3.24Å; R42-E136 IonicContact NE-OE1 3.7Å; R42-E136 IonicContact NH1-OE1 2.77Å; R42-E136 IonicContact NH1-OE2 3.37Å; R42-E136 IonicContact NH2-OE1 3.8Å; R42-E136 PolarHBondContact NH2-OE1 3.2Å; R42-E136 IonicContact NH2-OE2 2.68Å; G134-E136 WeakPolarHBondContact CA-OE2 3.28Å; G134-E136 PolarHBondContact N-OE2 2.94Å; G134-E136 PolarHBondContact O-N 3.38Å; E136-R138 PolarHBondContact O-N 3.42Å; E136-V139 PolarHBondContact O-N 2.94Å
137G76.7Confident87.6Confident58 Ų5876.8 Ų76.860%0.59843%0.428SS*.G310 helixtrans-64.1-9.6175.300000114.4T135T135-G137 VanDerWaalsContact C-N 3.27Å; T135-G137 PolarHBondContact O-N 2.94Å
138R84.8Confident87.5Confident207 Ų20782.9 Ų82.978%0.78145%0.45SS*.G310 helixtrans-86.1-14.3173.7-58-178.9177.1-177.8-1.6112.8T135 E136 V140T135-R138 VanDerWaalsContact O-CB 3.28Å; T135-R138 WeakPolarHBondContact O-CB 3.47Å; T135-R138 PolarHBondContact O-N 3.44Å; E136-R138 PolarHBondContact O-N 3.42Å; R138-V140 PolarHBondContact O-N 3.18Å
139V86Confident87.4Confident28 Ų2882.2 Ų82.217%0.1744%0.442CS..  trans-86.498.8178.6-1750000108.2R28 L32 A35 E136 W150R28-V139 VanDerWaalsContact NH1-CG1 3.3Å; L32-V139 HydrophobicContact CD2-CG1 3.85Å; L32-V139 HydrophobicContact CG-CG1 4.43Å; A35-V139 HydrophobicContact CB-CB 3.88Å; A35-V139 HydrophobicContact CB-CG1 4.26Å; A35-V139 HydrophobicContact CB-CG2 3.74Å; E136-V139 PolarHBondContact O-N 2.94Å; V139-W150 HydrophobicContact CB-CH2 4.49Å; V139-W150 HydrophobicContact CB-CZ3 4.03Å; V139-W150 HydrophobicContact CG1-CZ3 4.11Å
140V87.9Confident87.3Confident95 Ų9580.1 Ų80.158%0.57643%0.426SS*.  trans-99.5126.7-178.5-177.10000109.5R28 R138R28-V140 PolarHBondContact NH2-O 3.45Å; R138-V140 PolarHBondContact O-N 3.18Å
141P90.3Very high87.5Confident16 Ų1679.5 Ų79.510%0.10442%0.416CS..  trans-67.8129.1172.4-17.930.7000111.7L32 Q146 R147 W150L32-P141 HydrophobicContact CD2-CB 4.2Å; L32-P141 HydrophobicContact CD2-CG 3.99Å; P141-Q146 HydrophobicContact CB-CB 3.88Å; P141-R147 HydrophobicContact CB-CB 4.14Å; P141-W150 HydrophobicContact CB-CB 4.37Å; P141-W150 HydrophobicContact CG-CB 3.49Å; P141-W150 VanDerWaalsContact CG-CB 3.49Å; P141-W150 HydrophobicContact CG-CD2 3.93Å; P141-W150 HydrophobicContact CG-CE3 4.39Å; P141-W150 HydrophobicContact CG-CG 3.5Å; P141-W150 VanDerWaalsContact CG-CG 3.5Å
142E90Very high88Confident142 Ų14281.6 Ų81.666%0.66442%0.421SS*.  trans-87.1-34.1-172.3-68.7153-138.200113.1R28R28-E142 IonicContact CZ-OE1 3.29Å; R28-E142 IonicContact NE-OE1 2.76Å; R28-E142 PolarHBondContact NE-OE1 2.96Å; R28-E142 IonicContact NH2-OE1 2.73Å; R28-E142 PolarHBondContact NH2-OE1 3.32Å
143D90.2Very high88.7Confident61 Ų6177.3 Ų77.333%0.32640%0.395SS..SBendtrans-128-178.9-176.165.751.2000112.4A145 Q146 R147D143-A145 WeakPolarHBondContact OD1-CA 3.43Å; D143-A145 WeakPolarHBondContact OD1-CB 3.48Å; D143-A145 PolarHBondContact OD1-N 2.97Å; D143-Q146 WeakPolarHBondContact OD1-CG 3.18Å; D143-Q146 PolarHBondContact OD1-N 3.41Å; D143-Q146 WeakPolarHBondContact OD2-CG 3.26Å; D143-Q146 PolarHBondContact OD2-NE2 2.98Å; D143-R147 VanDerWaalsContact O-CB 3.25Å; D143-R147 WeakPolarHBondContact O-CB 3.44Å; D143-R147 PolarHBondContact O-N 2.84Å
144R91.6Very high89.7Confident184 Ų18473.9 Ų73.969%0.69437%0.37SS*.Hα-helixtrans-68.3-34-178.8-169.2178.1-173.7179.81.8112.9R148R144-R148 WeakPolarHBondContact O-CG 3.37Å; R144-R148 PolarHBondContact O-N 3.04Å; R144-R148 VanDerWaalsContact O-N 3.1Å
145A90.9Very high90.6Very high28 Ų2878.6 Ų78.623%0.23138%0.377CS..Hα-helixtrans-71.3-48.4179.200000110.5D22 I24 D143 R147 R148 L149D22-A145 HydrophobicContact CB-CB 3.95Å; I24-A145 HydrophobicContact CD1-CB 3.94Å; I24-A145 HydrophobicContact CG1-CB 4.45Å; D143-A145 WeakPolarHBondContact OD1-CA 3.43Å; D143-A145 WeakPolarHBondContact OD1-CB 3.48Å; D143-A145 PolarHBondContact OD1-N 2.97Å; A145-R147 VanDerWaalsContact C-N 3.28Å; A145-R147 PolarHBondContact O-N 3.49Å; A145-R148 WeakPolarHBondContact O-CB 3.38Å; A145-R148 PolarHBondContact O-N 3.38Å; A145-R148 VanDerWaalsContact O-N 3.16Å; A145-L149 PolarHBondContact O-N 3.24Å
146Q93.3Very high91.3Very high12 Ų1278.6 Ų78.66%0.05637%0.37CS..Hα-helixtrans-57.7-40.9173.3-67.5-177.536.200111.5I24 L32 P141 D143 L149 W150I24-Q146 HydrophobicContact CD1-CB 4.3Å; I24-Q146 HydrophobicContact CD1-CG 3.66Å; I24-Q146 HydrophobicContact CG1-CG 3.84Å; I24-Q146 HydrophobicContact CG2-CG 4.48Å; L32-Q146 HydrophobicContact CD1-CB 3.62Å; L32-Q146 HydrophobicContact CD1-CG 3.65Å; P141-Q146 HydrophobicContact CB-CB 3.88Å; D143-Q146 WeakPolarHBondContact OD1-CG 3.18Å; D143-Q146 PolarHBondContact OD1-N 3.41Å; D143-Q146 WeakPolarHBondContact OD2-CG 3.26Å; D143-Q146 PolarHBondContact OD2-NE2 2.98Å; Q146-L149 PolarHBondContact O-N 3.16Å; Q146-W150 VanDerWaalsContact O-CB 3.31Å; Q146-W150 WeakPolarHBondContact O-CB 3.41Å; Q146-W150 PolarHBondContact O-N 3.02Å
147R94.1Very high92.1Very high126 Ų12677.6 Ų77.648%0.47537%0.366SS..Hα-helixtrans-64.1-41.7177.3-175.8168.5-63.6137.110112.2P141 D143 A145 W150 E151P141-R147 HydrophobicContact CB-CB 4.14Å; D143-R147 VanDerWaalsContact O-CB 3.25Å; D143-R147 WeakPolarHBondContact O-CB 3.44Å; D143-R147 PolarHBondContact O-N 2.84Å; A145-R147 VanDerWaalsContact C-N 3.28Å; A145-R147 PolarHBondContact O-N 3.49Å; R147-W150 PolarHBondContact O-N 2.85Å; R147-E151 HydrophobicContact CG-CG 4.37Å; R147-E151 WeakPolarHBondContact CG-OE1 3.33Å; R147-E151 WeakPolarHBondContact O-CB 3.23Å; R147-E151 VanDerWaalsContact O-CG 3.29Å; R147-E151 WeakPolarHBondContact O-CG 3.16Å; R147-E151 PolarHBondContact O-N 3.22Å
148R94.3Very high93.1Very high144 Ų14479.1 Ų79.154%0.54335%0.353SS..Hα-helixtrans-62.3-45.2175.2-75.7171.4172.8176.4-2.2111.6R144 A145 E151 N152R144-R148 WeakPolarHBondContact O-CG 3.37Å; R144-R148 PolarHBondContact O-N 3.04Å; R144-R148 VanDerWaalsContact O-N 3.1Å; A145-R148 WeakPolarHBondContact O-CB 3.38Å; A145-R148 PolarHBondContact O-N 3.38Å; A145-R148 VanDerWaalsContact O-N 3.16Å; R148-E151 PolarHBondContact O-N 3.45Å; R148-N152 WeakPolarHBondContact O-CB 3.29Å; R148-N152 VanDerWaalsContact O-CG 3.26Å; R148-N152 PolarHBondContact O-N 3.44Å; R148-N152 PolarHBondContact O-ND2 2.99Å
149L92.6Very high93.7Very high40 Ų4073.9 Ų73.921%0.20934%0.337CS..Hα-helixtrans-58.7-49.617618070.1000111.2I24 R29 L32 A145 Q146 N152 A153I24-L149 HydrophobicContact CD1-CD2 4.47Å; R29-L149 HydrophobicContact CB-CD2 4.05Å; R29-L149 HydrophobicContact CG-CD1 4.34Å; R29-L149 HydrophobicContact CG-CD2 3.66Å; L32-L149 HydrophobicContact CB-CD2 3.9Å; L32-L149 HydrophobicContact CD1-CD2 4.08Å; A145-L149 PolarHBondContact O-N 3.24Å; Q146-L149 PolarHBondContact O-N 3.16Å; L149-N152 PolarHBondContact O-N 3.34Å; L149-A153 WeakPolarHBondContact O-CB 3.31Å; L149-A153 PolarHBondContact O-N 3.47Å
150W93.2Very high94.3Very high31 Ų3175 Ų7512%0.11734%0.341CS..Hα-helixtrans-58.2-49.5177.4174.2-92.4000112.7L32 A35 L39 V139 P141 Q146 R147 N152 A153 L154L32-W150 HydrophobicContact CD2-CB 4.48Å; L32-W150 HydrophobicContact CD2-CE3 3.94Å; L32-W150 VanDerWaalsContact O-CE3 3.28Å; A35-W150 HydrophobicContact CB-CH2 4.05Å; A35-W150 HydrophobicContact CB-CZ3 3.59Å; L39-W150 HydrophobicContact CD2-CH2 4.29Å; L39-W150 HydrophobicContact CD2-CZ2 3.68Å; V139-W150 HydrophobicContact CB-CH2 4.49Å; V139-W150 HydrophobicContact CB-CZ3 4.03Å; V139-W150 HydrophobicContact CG1-CZ3 4.11Å; P141-W150 HydrophobicContact CB-CB 4.37Å; P141-W150 HydrophobicContact CG-CB 3.49Å; P141-W150 VanDerWaalsContact CG-CB 3.49Å; P141-W150 HydrophobicContact CG-CD2 3.93Å; P141-W150 HydrophobicContact CG-CE3 4.39Å; P141-W150 HydrophobicContact CG-CG 3.5Å; P141-W150 VanDerWaalsContact CG-CG 3.5Å; Q146-W150 VanDerWaalsContact O-CB 3.31Å; Q146-W150 WeakPolarHBondContact O-CB 3.41Å; Q146-W150 PolarHBondContact O-N 3.02Å; R147-W150 PolarHBondContact O-N 2.85Å; W150-N152 VanDerWaalsContact C-N 3.32Å; W150-N152 PolarHBondContact O-N 2.72Å; W150-A153 PolarHBondContact O-N 2.97Å; W150-L154 VanDerWaalsContact O-CB 3.26Å; W150-L154 WeakPolarHBondContact O-CB 3.41Å; W150-L154 PolarHBondContact O-N 3.25Å
151E95.6Very high94.8Very high79 Ų7970.5 Ų70.537%0.36931%0.314SS..Hα-helixtrans-62-38.8179.8-76.8176.7-160.300112.4R147 R148 L154 R155R147-E151 HydrophobicContact CG-CG 4.37Å; R147-E151 WeakPolarHBondContact CG-OE1 3.33Å; R147-E151 WeakPolarHBondContact O-CB 3.23Å; R147-E151 VanDerWaalsContact O-CG 3.29Å; R147-E151 WeakPolarHBondContact O-CG 3.16Å; R147-E151 PolarHBondContact O-N 3.22Å; R148-E151 PolarHBondContact O-N 3.45Å; E151-L154 PolarHBondContact O-N 2.87Å; E151-R155 WeakPolarHBondContact O-CB 3.35Å; E151-R155 WeakPolarHBondContact O-CG 3.3Å; E151-R155 PolarHBondContact O-N 3.06Å; E151-R155 IonicContact OE2-NH1 3.45Å; E151-R155 PolarHBondContact OE2-NH1 3.5Å; E151-R155 IonicContact OE2-NH2 3.75Å
152N96.2Very high95.2Very high92 Ų9271.8 Ų71.849%0.49232%0.316SS..Hα-helixtrans-64.9-48.3175.7-73.8-17.9000111.2R148 L149 W150 L154 R155 Q156R148-N152 WeakPolarHBondContact O-CB 3.29Å; R148-N152 VanDerWaalsContact O-CG 3.26Å; R148-N152 PolarHBondContact O-N 3.44Å; R148-N152 PolarHBondContact O-ND2 2.99Å; L149-N152 PolarHBondContact O-N 3.34Å; W150-N152 VanDerWaalsContact C-N 3.32Å; W150-N152 PolarHBondContact O-N 2.72Å; N152-L154 VanDerWaalsContact C-N 3.29Å; N152-L154 PolarHBondContact O-N 3.02Å; N152-R155 PolarHBondContact O-N 3.22Å; N152-R155 PolarHBondContact OD1-NH2 2.79Å; N152-Q156 PolarHBondContact O-N 3.42Å
153A95.6Very high95.6Very high5 Ų568.6 Ų68.64%0.04130%0.304CS..Hα-helixtrans-59.9-41.6176.400000111.7T33 R37 L149 W150 Q156 G157T33-A153 HydrophobicContact CG2-CB 4.09Å; T33-A153 WeakPolarHBondContact O-CB 3.3Å; R37-A153 VanDerWaalsContact CA-O 3.3Å; R37-A153 WeakPolarHBondContact CA-O 3.45Å; R37-A153 HydrophobicContact CB-CB 4.49Å; L149-A153 WeakPolarHBondContact O-CB 3.31Å; L149-A153 PolarHBondContact O-N 3.47Å; W150-A153 PolarHBondContact O-N 2.97Å; A153-Q156 PolarHBondContact O-N 2.81Å; A153-G157 PolarHBondContact O-N 2.86Å
154L95.7Very high96Very high52 Ų5268 Ų6827%0.27230%0.301SS..Hα-helixtrans-63.6-46.2177-172151.7000112.1G36 L39 W150 E151 N152 Q156 G157 W158G36-L154 WeakPolarHBondContact O-CA 3.44Å; L39-L154 HydrophobicContact CD2-CD1 4.2Å; W150-L154 VanDerWaalsContact O-CB 3.26Å; W150-L154 WeakPolarHBondContact O-CB 3.41Å; W150-L154 PolarHBondContact O-N 3.25Å; E151-L154 PolarHBondContact O-N 2.87Å; N152-L154 VanDerWaalsContact C-N 3.29Å; N152-L154 PolarHBondContact O-N 3.02Å; L154-Q156 PolarHBondContact O-N 3.4Å; L154-G157 PolarHBondContact O-N 2.68Å; L154-W158 VanDerWaalsContact O-CB 3.26Å; L154-W158 WeakPolarHBondContact O-CB 3.18Å; L154-W158 PolarHBondContact O-N 3.39Å
155R98.3Very high96.4Very high133 Ų13359.2 Ų59.250%0.50227%0.268SS..Hα-helixtrans-61.3-42.7175.9-78.5-173.7-75.3-94.70.7112.1E151 N152 W158 Q159E151-R155 WeakPolarHBondContact O-CB 3.35Å; E151-R155 WeakPolarHBondContact O-CG 3.3Å; E151-R155 PolarHBondContact O-N 3.06Å; E151-R155 IonicContact OE2-NH1 3.45Å; E151-R155 PolarHBondContact OE2-NH1 3.5Å; E151-R155 IonicContact OE2-NH2 3.75Å; N152-R155 PolarHBondContact O-N 3.22Å; N152-R155 PolarHBondContact OD1-NH2 2.79Å; R155-W158 WeakPolarHBondContact O-CB 3.42Å; R155-W158 PolarHBondContact O-N 2.87Å; R155-Q159 PolarHBondContact O-N 3.35Å
156Q98.2Very high96.7Very high97 Ų9760.5 Ų60.545%0.45327%0.27SS..Hα-helixtrans-63.7-52.4177179.2179.3-11.400111.2N152 A153 L154 W158 Q159 E160N152-Q156 PolarHBondContact O-N 3.42Å; A153-Q156 PolarHBondContact O-N 2.81Å; L154-Q156 PolarHBondContact O-N 3.4Å; Q156-W158 PolarHBondContact O-N 3.43Å; Q156-Q159 PolarHBondContact O-N 3.19Å; Q156-Q159 VanDerWaalsContact O-N 3.17Å; Q156-E160 WeakPolarHBondContact CG-OE1 3.43Å; Q156-E160 PolarHBondContact NE2-OE1 3.31Å; Q156-E160 WeakPolarHBondContact O-CG 3.2Å; Q156-E160 PolarHBondContact O-N 2.94Å; Q156-E160 VanDerWaalsContact O-N 3.07Å
157G97.7Very high97Very high0 Ų064.9 Ų64.90%029%0.294CS..Hα-helixtrans-56.9-40.8177.600000111.8R37 G40 F41 A153 L154 Q159 E160 G161R37-G157 WeakPolarHBondContact O-CA 3.36Å; G40-G157 CarbonylContact C-O 3.57Å; F41-G157 WeakPolarHBondContact CA-O 3.29Å; F41-G157 PolarHBondContact N-O 3.45Å; A153-G157 PolarHBondContact O-N 2.86Å; L154-G157 PolarHBondContact O-N 2.68Å; G157-Q159 PolarHBondContact O-N 2.62Å; G157-E160 PolarHBondContact O-N 3.48Å; G157-G161 PolarHBondContact O-N 3.13Å
158W97.9Very high97.2Very high90 Ų9060.1 Ų60.134%0.34128%0.279SS..Hα-helixtrans-55.7-49.9176.1-175.3-89.8000112.7G40 G44 Q47 L154 R155 Q156 G161 R162G40-W158 VanDerWaalsContact C-N 3.31Å; G40-W158 VanDerWaalsContact O-CA 3.26Å; G40-W158 WeakPolarHBondContact O-CA 3.4Å; G44-W158 VanDerWaalsContact CA-CD2 3.49Å; Q47-W158 HydrophobicContact CB-CH2 4.23Å; Q47-W158 HydrophobicContact CB-CZ2 4.19Å; Q47-W158 HydrophobicContact CG-CZ2 4.46Å; L154-W158 VanDerWaalsContact O-CB 3.26Å; L154-W158 WeakPolarHBondContact O-CB 3.18Å; L154-W158 PolarHBondContact O-N 3.39Å; R155-W158 WeakPolarHBondContact O-CB 3.42Å; R155-W158 PolarHBondContact O-N 2.87Å; Q156-W158 PolarHBondContact O-N 3.43Å; W158-G161 PolarHBondContact O-N 2.8Å; W158-R162 WeakPolarHBondContact O-CG 3.42Å; W158-R162 PolarHBondContact O-N 3.11Å
159Q98.7Very high97.4Very high96 Ų9654.5 Ų54.545%0.44926%0.259SS..Hα-helixtrans-62.6-44.8178.1-172.757.641.900111.6R155 Q156 G157 G161 R162 D163R155-Q159 PolarHBondContact O-N 3.35Å; Q156-Q159 PolarHBondContact O-N 3.19Å; Q156-Q159 VanDerWaalsContact O-N 3.17Å; G157-Q159 PolarHBondContact O-N 2.62Å; Q159-G161 VanDerWaalsContact C-N 3.26Å; Q159-G161 PolarHBondContact O-N 2.78Å; Q159-R162 WeakPolarHBondContact O-CB 3.47Å; Q159-R162 PolarHBondContact O-N 3.3Å; Q159-R162 VanDerWaalsContact O-N 3.08Å; Q159-D163 PolarHBondContact NE2-OD1 2.87Å; Q159-D163 VanDerWaalsContact O-CG 3.29Å; Q159-D163 PolarHBondContact O-N 2.73Å
160E98.6Very high97.7Very high52 Ų5256.7 Ų56.724%0.24327%0.268CS..Hα-helixtrans-59.3-37.8176.4-68.2170.1-177.300112.5R37 F41 Q156 G157 N164R37-E160 IonicContact CZ-OE1 3.56Å; R37-E160 VanDerWaalsContact CZ-OE1 3.25Å; R37-E160 IonicContact CZ-OE2 2.79Å; R37-E160 IonicContact NE-OE1 3.11Å; R37-E160 PolarHBondContact NE-OE1 3.18Å; R37-E160 IonicContact NE-OE2 3.52Å; R37-E160 PolarHBondContact NE-OE2 3.04Å; R37-E160 VanDerWaalsContact NH2-CD 3.25Å; R37-E160 IonicContact NH2-OE1 3.36Å; R37-E160 PolarHBondContact NH2-OE1 3.27Å; R37-E160 IonicContact NH2-OE2 3.45Å; R37-E160 PolarHBondContact NH2-OE2 3.43Å; R37-E160 VanDerWaalsContact NH2-OE2 3.16Å; F41-E160 HydrophobicContact CD2-CB 4.02Å; Q156-E160 WeakPolarHBondContact CG-OE1 3.43Å; Q156-E160 PolarHBondContact NE2-OE1 3.31Å; Q156-E160 WeakPolarHBondContact O-CG 3.2Å; Q156-E160 PolarHBondContact O-N 2.94Å; Q156-E160 VanDerWaalsContact O-N 3.07Å; G157-E160 PolarHBondContact O-N 3.48Å; E160-N164 VanDerWaalsContact O-CB 3.24Å; E160-N164 WeakPolarHBondContact O-CB 3.47Å; E160-N164 PolarHBondContact O-N 2.98Å
161G98.2Very high98Very high0 Ų057.5 Ų57.50%028%0.282CS..Hα-helixtrans-64.5-42.3174.800000112.5F41 K45 G157 W158 Q159 N164 A165F41-G161 WeakPolarHBondContact O-CA 3.24Å; K45-G161 WeakPolarHBondContact CA-O 3.4Å; K45-G161 WeakPolarHBondContact CB-O 3.4Å; G157-G161 PolarHBondContact O-N 3.13Å; W158-G161 PolarHBondContact O-N 2.8Å; Q159-G161 VanDerWaalsContact C-N 3.26Å; Q159-G161 PolarHBondContact O-N 2.78Å; G161-N164 PolarHBondContact O-N 3.23Å; G161-A165 PolarHBondContact O-N 3.02Å; G161-A165 VanDerWaalsContact O-N 3.11Å
162R98.7Very high98.1Very high44 Ų4454.2 Ų54.217%0.16627%0.267CS..Hα-helixtrans-63.1-50.3175.3-66-175.961.383.33.8110.8G44 R48 E51 W158 Q159 N164 A165 D166G44-R162 WeakPolarHBondContact O-CG 3.04Å; R48-R162 HydrophobicContact CB-CB 4.08Å; R48-R162 HydrophobicContact CB-CG 4.01Å; R48-R162 HydrophobicContact CG-CB 4.26Å; E51-R162 IonicContact OE1-CZ 3.83Å; E51-R162 IonicContact OE1-NH1 3.83Å; E51-R162 PolarHBondContact OE1-NH1 3.21Å; E51-R162 IonicContact OE1-NH2 3.97Å; E51-R162 PolarHBondContact OE1-NH2 2.91Å; E51-R162 IonicContact OE2-CZ 2.66Å; E51-R162 IonicContact OE2-NH1 3.25Å; E51-R162 PolarHBondContact OE2-NH1 3.17Å; E51-R162 IonicContact OE2-NH2 3.96Å; E51-R162 PolarHBondContact OE2-NH2 2.97Å; W158-R162 WeakPolarHBondContact O-CG 3.42Å; W158-R162 PolarHBondContact O-N 3.11Å; Q159-R162 WeakPolarHBondContact O-CB 3.47Å; Q159-R162 PolarHBondContact O-N 3.3Å; Q159-R162 VanDerWaalsContact O-N 3.08Å; R162-N164 VanDerWaalsContact C-N 3.26Å; R162-N164 PolarHBondContact O-N 2.92Å; R162-A165 WeakPolarHBondContact O-CB 3.26Å; R162-A165 PolarHBondContact O-N 2.94Å; R162-D166 PolarHBondContact O-N 3.41Å
163D98.8Very high98.2Very high74 Ų7454.7 Ų54.740%0.39627%0.266SS..Hα-helixtrans-59.4-39178.1-61.7-18.1000111.2Q159 A165 D166 L167Q159-D163 PolarHBondContact NE2-OD1 2.87Å; Q159-D163 VanDerWaalsContact O-CG 3.29Å; Q159-D163 PolarHBondContact O-N 2.73Å; D163-A165 VanDerWaalsContact C-N 3.34Å; D163-A165 PolarHBondContact O-N 2.78Å; D163-D166 PolarHBondContact O-N 3.42Å; D163-L167 WeakPolarHBondContact O-CG 3.26Å; D163-L167 PolarHBondContact O-N 3.08Å
164N98.6Very high98.4Very high49 Ų4960.7 Ų60.726%0.26229%0.291SS..Hα-helixtrans-62.4-38175.5-176.1-100000113.1F41 K45 E160 G161 R162 T168F41-N164 HydrophobicContact CE2-CB 3.76Å; F41-N164 HydrophobicContact CZ-CB 3.8Å; K45-N164 WeakPolarHBondContact CD-OD1 3.4Å; K45-N164 VanDerWaalsContact CE-OD1 3.29Å; K45-N164 WeakPolarHBondContact CE-OD1 3.07Å; K45-N164 PolarHBondContact NZ-OD1 3.35Å; E160-N164 VanDerWaalsContact O-CB 3.24Å; E160-N164 WeakPolarHBondContact O-CB 3.47Å; E160-N164 PolarHBondContact O-N 2.98Å; G161-N164 PolarHBondContact O-N 3.23Å; R162-N164 VanDerWaalsContact C-N 3.26Å; R162-N164 PolarHBondContact O-N 2.92Å; N164-T168 WeakPolarHBondContact O-CB 3.35Å; N164-T168 PolarHBondContact O-N 2.9Å; N164-T168 PolarHBondContact O-OG1 3.49Å
165A98.7Very high98.5Very high0 Ų063.6 Ų63.60%030%0.299CS..Hα-helixtrans-65.5-40.8176.100000111.5K45 R48 L52 L127 G161 R162 D163 T168 L169K45-A165 HydrophobicContact CG-CB 4.24Å; R48-A165 HydrophobicContact CB-CB 3.78Å; R48-A165 HydrophobicContact CG-CB 3.63Å; L52-A165 HydrophobicContact CD1-CB 4.23Å; L127-A165 HydrophobicContact CD2-CB 4.4Å; G161-A165 PolarHBondContact O-N 3.02Å; G161-A165 VanDerWaalsContact O-N 3.11Å; R162-A165 WeakPolarHBondContact O-CB 3.26Å; R162-A165 PolarHBondContact O-N 2.94Å; D163-A165 VanDerWaalsContact C-N 3.34Å; D163-A165 PolarHBondContact O-N 2.78Å; A165-T168 WeakPolarHBondContact O-CB 3.05Å; A165-T168 PolarHBondContact O-N 3.02Å; A165-L169 PolarHBondContact O-N 3.3Å
166D98.8Very high98.5Very high54 Ų5457.3 Ų57.329%0.28928%0.275SS..Hα-helixtrans-63.1-47.4175.5-72.2-43.7000111.6R48 R162 D163 T168 L169 E170R48-D166 IonicContact CZ-OD1 3.39Å; R48-D166 VanDerWaalsContact CZ-OD1 3.27Å; R48-D166 IonicContact CZ-OD2 3.37Å; R48-D166 IonicContact NE-OD1 2.73Å; R48-D166 PolarHBondContact NE-OD1 3.37Å; R48-D166 IonicContact NE-OD2 3.58Å; R48-D166 PolarHBondContact NE-OD2 3.48Å; R48-D166 VanDerWaalsContact NE-OD2 3.13Å; R48-D166 IonicContact NH2-OD1 3.72Å; R48-D166 PolarHBondContact NH2-OD1 3.35Å; R48-D166 IonicContact NH2-OD2 3.22Å; R48-D166 PolarHBondContact NH2-OD2 3.02Å; R162-D166 PolarHBondContact O-N 3.41Å; D163-D166 PolarHBondContact O-N 3.42Å; D166-T168 VanDerWaalsContact C-N 3.28Å; D166-T168 PolarHBondContact O-N 2.88Å; D166-L169 PolarHBondContact O-N 2.71Å; D166-E170 PolarHBondContact O-N 3.25Å
167L98.7Very high98.5Very high104 Ų10454.3 Ų54.355%0.54526%0.263SS..Hα-helixtrans-60.2-37.7174.6-71.2173000112.5D163 E170 A171D163-L167 WeakPolarHBondContact O-CG 3.26Å; D163-L167 PolarHBondContact O-N 3.08Å; L167-E170 PolarHBondContact O-N 3.22Å; L167-A171 WeakPolarHBondContact O-CB 3.28Å; L167-A171 PolarHBondContact O-N 2.8Å
168T98.7Very high98.5Very high27 Ų2758.8 Ų58.817%0.16628%0.28CS..Hα-helixtrans-62.2-46.6176.6-620000110.5L127 N164 A165 D166 A171 N172L127-T168 HydrophobicContact CD2-CG2 3.93Å; L127-T168 HydrophobicContact CG-CG2 4.42Å; N164-T168 WeakPolarHBondContact O-CB 3.35Å; N164-T168 PolarHBondContact O-N 2.9Å; N164-T168 PolarHBondContact O-OG1 3.49Å; A165-T168 WeakPolarHBondContact O-CB 3.05Å; A165-T168 PolarHBondContact O-N 3.02Å; D166-T168 VanDerWaalsContact C-N 3.28Å; D166-T168 PolarHBondContact O-N 2.88Å; T168-A171 PolarHBondContact O-N 3.43Å; T168-N172 WeakPolarHBondContact O-CB 2.96Å; T168-N172 PolarHBondContact O-N 2.91Å; T168-N172 PolarHBondContact O-ND2 3.37Å
169L98.8Very high98.5Very high25 Ų2554.5 Ų54.513%0.13126%0.264CS..Hα-helixtrans-64.3-43.9177.5178.460.1000111.8L52 L56 L123 L127 A165 D166 A171 N172 Q173L52-L169 HydrophobicContact CB-CD2 4.26Å; L52-L169 HydrophobicContact CD1-CB 4.15Å; L52-L169 HydrophobicContact CD1-CD2 4.05Å; L52-L169 HydrophobicContact CD2-CD2 3.76Å; L52-L169 HydrophobicContact CG-CD2 4.23Å; L56-L169 HydrophobicContact CD1-CD1 3.94Å; L123-L169 HydrophobicContact CB-CD1 4.09Å; L123-L169 HydrophobicContact CD2-CD1 4.21Å; L127-L169 HydrophobicContact CD1-CB 4.43Å; L127-L169 HydrophobicContact CD1-CD1 4.29Å; A165-L169 PolarHBondContact O-N 3.3Å; D166-L169 PolarHBondContact O-N 2.71Å; L169-A171 PolarHBondContact O-N 2.81Å; L169-N172 WeakPolarHBondContact O-CB 3.24Å; L169-N172 PolarHBondContact O-N 3.06Å; L169-Q173 WeakPolarHBondContact O-CB 3.3Å; L169-Q173 PolarHBondContact O-N 3.21Å
170E98.7Very high98.5Very high86 Ų8651.9 Ų51.940%0.40225%0.25SS..Hα-helixtrans-58.4-47.7177.7-170.9-167.315700111.3D166 L167 N172 Q173 K174D166-E170 PolarHBondContact O-N 3.25Å; L167-E170 PolarHBondContact O-N 3.22Å; E170-N172 VanDerWaalsContact C-N 3.31Å; E170-N172 PolarHBondContact O-N 2.85Å; E170-Q173 PolarHBondContact O-N 3.08Å; E170-K174 WeakPolarHBondContact O-CG 3.25Å; E170-K174 PolarHBondContact O-N 2.83Å; E170-K174 WeakPolarHBondContact OE1-CE 3.21Å; E170-K174 IonicContact OE1-NZ 3.53Å; E170-K174 PolarHBondContact OE1-NZ 2.87Å
171A98.7Very high98.4Very high49 Ų4957.8 Ų57.841%0.40527%0.27SS..Hα-helixtrans-61.3-40176.500000112L167 T168 L169 K174 R175L167-A171 WeakPolarHBondContact O-CB 3.28Å; L167-A171 PolarHBondContact O-N 2.8Å; T168-A171 PolarHBondContact O-N 3.43Å; L169-A171 PolarHBondContact O-N 2.81Å; A171-K174 PolarHBondContact O-N 3.44Å; A171-R175 WeakPolarHBondContact O-CB 3.28Å; A171-R175 PolarHBondContact O-N 3.42Å
172N98.7Very high98.4Very high10 Ų1057.9 Ų57.95%0.05327%0.271CS..Hα-helixtrans-65.9-39.9175.9-73.8-20.7000112.6W122 L123 R125 T168 L169 E170 R175 L176W122-N172 WeakPolarHBondContact O-CB 3.43Å; W122-N172 VanDerWaalsContact O-CG 3.3Å; W122-N172 PolarHBondContact O-ND2 3.45Å; L123-N172 HydrophobicContact CD2-CB 4.43Å; L123-N172 PolarHBondContact O-ND2 2.82Å; L123-N172 VanDerWaalsContact O-ND2 3.1Å; R125-N172 PolarHBondContact O-ND2 3.19Å; T168-N172 WeakPolarHBondContact O-CB 2.96Å; T168-N172 PolarHBondContact O-N 2.91Å; T168-N172 PolarHBondContact O-ND2 3.37Å; L169-N172 WeakPolarHBondContact O-CB 3.24Å; L169-N172 PolarHBondContact O-N 3.06Å; E170-N172 VanDerWaalsContact C-N 3.31Å; E170-N172 PolarHBondContact O-N 2.85Å; N172-R175 PolarHBondContact O-N 3.38Å; N172-L176 WeakPolarHBondContact O-CB 3.34Å; N172-L176 PolarHBondContact O-N 2.91Å
173Q98.4Very high98.4Very high102 Ų10255.8 Ų55.848%0.47726%0.263SS..Hα-helixtrans-65.3-42.5176.8-176.9-179.9-6.400111.5L123 L169 E170 R175 L176 T177L123-Q173 HydrophobicContact CD2-CB 4Å; L169-Q173 WeakPolarHBondContact O-CB 3.3Å; L169-Q173 PolarHBondContact O-N 3.21Å; E170-Q173 PolarHBondContact O-N 3.08Å; Q173-R175 VanDerWaalsContact C-N 3.33Å; Q173-R175 PolarHBondContact O-N 3.48Å; Q173-L176 PolarHBondContact O-N 3.32Å; Q173-T177 WeakPolarHBondContact O-CB 3.43Å; Q173-T177 PolarHBondContact O-N 3.4Å; Q173-T177 PolarHBondContact O-OG1 3.44Å
174K98Very high98.3Very high130 Ų13056.4 Ų56.457%0.56527%0.265SS*.Hα-helixtrans-59.1-45.6172.5-71.5175.7-175.9171.10110.9E170 A171 T177 R178E170-K174 WeakPolarHBondContact O-CG 3.25Å; E170-K174 PolarHBondContact O-N 2.83Å; E170-K174 WeakPolarHBondContact OE1-CE 3.21Å; E170-K174 IonicContact OE1-NZ 3.53Å; E170-K174 PolarHBondContact OE1-NZ 2.87Å; A171-K174 PolarHBondContact O-N 3.44Å; K174-T177 PolarHBondContact O-N 3.17Å; K174-R178 VanDerWaalsContact O-CB 3.31Å; K174-R178 WeakPolarHBondContact O-CB 3.36Å; K174-R178 PolarHBondContact O-N 3.07Å
175R98.3Very high98.3Very high114 Ų11455.4 Ų55.443%0.4326%0.259SS..Hα-helixtrans-64-42177-169.3-179.8-61.1178.93.6112.6A171 N172 Q173 D179A171-R175 WeakPolarHBondContact O-CB 3.28Å; A171-R175 PolarHBondContact O-N 3.42Å; N172-R175 PolarHBondContact O-N 3.38Å; Q173-R175 VanDerWaalsContact C-N 3.33Å; Q173-R175 PolarHBondContact O-N 3.48Å; R175-D179 VanDerWaalsContact O-CB 3.23Å; R175-D179 WeakPolarHBondContact O-CB 3.39Å; R175-D179 PolarHBondContact O-N 3.26Å
176L98.4Very high98.2Very high0 Ų055.8 Ų55.80%026%0.261CS..Hα-helixtrans-60.9-50.5176.5174.256000110.8Y67 F69 W119 W122 L123 N172 Q173 R178 D179 Y180Y67-L176 HydrophobicContact CD1-CD1 3.98Å; Y67-L176 HydrophobicContact CD1-CD2 4.1Å; Y67-L176 HydrophobicContact CD1-CG 3.82Å; Y67-L176 HydrophobicContact CD2-CD2 3.62Å; Y67-L176 HydrophobicContact CD2-CG 4.28Å; Y67-L176 HydrophobicContact CE1-CD1 4.3Å; Y67-L176 HydrophobicContact CE1-CD2 3.99Å; Y67-L176 HydrophobicContact CE1-CG 3.65Å; Y67-L176 HydrophobicContact CE2-CD2 3.47Å; Y67-L176 VanDerWaalsContact CE2-CD2 3.47Å; Y67-L176 HydrophobicContact CE2-CG 4.11Å; Y67-L176 HydrophobicContact CG-CD1 4.19Å; Y67-L176 HydrophobicContact CG-CD2 3.91Å; Y67-L176 HydrophobicContact CG-CG 4.12Å; F69-L176 HydrophobicContact CE2-CD1 4.07Å; F69-L176 HydrophobicContact CZ-CD1 3.67Å; W119-L176 HydrophobicContact CB-CD2 3.98Å; W122-L176 HydrophobicContact CB-CB 3.72Å; W122-L176 HydrophobicContact CB-CD1 3.95Å; W122-L176 HydrophobicContact CB-CD2 4.35Å; W122-L176 HydrophobicContact CB-CG 4.21Å; W122-L176 VanDerWaalsContact CD1-CA 3.44Å; W122-L176 HydrophobicContact CD2-CD1 3.74Å; W122-L176 HydrophobicContact CE3-CD1 3.85Å; W122-L176 HydrophobicContact CG-CB 3.92Å; W122-L176 HydrophobicContact CG-CD1 3.74Å; W122-L176 HydrophobicContact CG-CG 4.37Å; L123-L176 HydrophobicContact CD1-CD2 4.15Å; L123-L176 HydrophobicContact CD2-CB 4.35Å; L123-L176 HydrophobicContact CD2-CD2 3.76Å; L123-L176 HydrophobicContact CG-CD2 3.79Å; N172-L176 WeakPolarHBondContact O-CB 3.34Å; N172-L176 PolarHBondContact O-N 2.91Å; Q173-L176 PolarHBondContact O-N 3.32Å; L176-R178 PolarHBondContact O-N 3.03Å; L176-D179 PolarHBondContact O-N 2.81Å; L176-Y180 VanDerWaalsContact O-CB 3.28Å; L176-Y180 WeakPolarHBondContact O-CB 3.26Å; L176-Y180 PolarHBondContact O-N 3.5Å
177T97.9Very high98.1Very high34 Ų3455.3 Ų55.321%0.20926%0.264CS..Hα-helixtrans-62.1-45-179-57.30000111.4Y67 Q173 K174 R181Y67-T177 PolarHBondContact OH-OG1 3.2Å; Q173-T177 WeakPolarHBondContact O-CB 3.43Å; Q173-T177 PolarHBondContact O-N 3.4Å; Q173-T177 PolarHBondContact O-OG1 3.44Å; K174-T177 PolarHBondContact O-N 3.17Å; T177-R181 WeakPolarHBondContact O-CB 3.33Å; T177-R181 VanDerWaalsContact O-CG 3.27Å; T177-R181 WeakPolarHBondContact O-CG 3.18Å; T177-R181 PolarHBondContact O-N 3.41Å
178R97.5Very high97.9Very high94 Ų9453.9 Ų53.936%0.35526%0.257SS..Hα-helixtrans-60.9-51174.9-177-160.768.3170.84.2111.6L107 K174 L176 Y180 R181 G182L107-R178 HydrophobicContact CD1-CG 4.44Å; K174-R178 VanDerWaalsContact O-CB 3.31Å; K174-R178 WeakPolarHBondContact O-CB 3.36Å; K174-R178 PolarHBondContact O-N 3.07Å; L176-R178 PolarHBondContact O-N 3.03Å; R178-Y180 PolarHBondContact O-N 3.29Å; R178-R181 PolarHBondContact O-N 2.97Å; R178-G182 PolarHBondContact O-N 2.93Å
179D98.2Very high97.8Very high0 Ų052.8 Ų52.80%025%0.25CC..Hα-helixtrans-63.6-42-176.8-72.98000111.3V82 R108 W122 R175 L176 G182 M183V82-D179 HydrophobicContact CG1-CB 4.34Å; V82-D179 HydrophobicContact CG2-CB 3.97Å; R108-D179 IonicContact CZ-OD2 3.31Å; R108-D179 VanDerWaalsContact CZ-OD2 3.26Å; R108-D179 IonicContact NH1-OD2 3.91Å; R108-D179 PolarHBondContact NH1-OD2 2.86Å; R108-D179 IonicContact NH2-OD1 2.71Å; R108-D179 IonicContact NH2-OD2 3.96Å; R108-D179 PolarHBondContact NH2-OD2 3.46Å; W122-D179 HydrophobicContact CZ2-CB 4.34Å; W122-D179 PolarHBondContact NE1-OD2 2.96Å; R175-D179 VanDerWaalsContact O-CB 3.23Å; R175-D179 WeakPolarHBondContact O-CB 3.39Å; R175-D179 PolarHBondContact O-N 3.26Å; L176-D179 PolarHBondContact O-N 2.81Å; D179-G182 PolarHBondContact O-N 3.3Å; D179-M183 HydrophobicContact CB-CE 4.36Å; D179-M183 VanDerWaalsContact O-CG 3.26Å; D179-M183 WeakPolarHBondContact O-CG 3.46Å; D179-M183 PolarHBondContact O-N 2.92Å
180Y98.2Very high97.6Very high41 Ų4158.2 Ų58.216%0.16127%0.269CS..Hα-helixtrans-63.5-51.2177.3-173.1-106.7000111.9Y67 D68 F69 L72 L176 R178 G182 M183 M184Y67-Y180 HydrophobicContact CD1-CD1 4.1Å; Y67-Y180 HydrophobicContact CD1-CD2 4.32Å; Y67-Y180 AromaticContact CD1-CG 3.9Å; Y67-Y180 HydrophobicContact CD1-CG 3.9Å; D68-Y180 WeakPolarHBondContact O-CE2 3.27Å; D68-Y180 PolarHBondContact O-OH 3.43Å; D68-Y180 VanDerWaalsContact O-OH 3.08Å; F69-Y180 AromaticContact CD1-CD2 3.97Å; F69-Y180 HydrophobicContact CD1-CD2 3.97Å; F69-Y180 HydrophobicContact CD1-CE2 4.39Å; F69-Y180 HydrophobicContact CD2-CD2 4.47Å; F69-Y180 AromaticContact CE1-CD2 3.64Å; F69-Y180 HydrophobicContact CE1-CD2 3.64Å; F69-Y180 HydrophobicContact CE1-CE2 4.47Å; F69-Y180 HydrophobicContact CE2-CD2 4.18Å; F69-Y180 HydrophobicContact CG-CD2 4.38Å; F69-Y180 HydrophobicContact CG-CE2 4.47Å; F69-Y180 AromaticContact CZ-CD2 3.75Å; F69-Y180 HydrophobicContact CZ-CD2 3.75Å; L72-Y180 HydrophobicContact CD1-CD2 3.97Å; L72-Y180 HydrophobicContact CD1-CE2 3.73Å; L176-Y180 VanDerWaalsContact O-CB 3.28Å; L176-Y180 WeakPolarHBondContact O-CB 3.26Å; L176-Y180 PolarHBondContact O-N 3.5Å; R178-Y180 PolarHBondContact O-N 3.29Å; Y180-G182 VanDerWaalsContact C-N 3.3Å; Y180-G182 PolarHBondContact O-N 3.45Å; Y180-M183 PolarHBondContact O-N 2.87Å; Y180-M184 HydrophobicContact CD1-SD 3.87Å; Y180-M184 HydrophobicContact CE1-CG 4.44Å; Y180-M184 HydrophobicContact CE1-SD 3.45Å; Y180-M184 WeakPolarHBondContact CE1-SD 3.29Å; Y180-M184 WeakPolarHBondContact O-CG 3.39Å; Y180-M184 PolarHBondContact O-N 2.83Å; Y180-M184 VanDerWaalsContact O-N 3.09Å
181R97.5Very high97.4Very high176 Ų17661.9 Ų61.966%0.66428%0.279SS*.Hα-helixtrans-60.8-40.5176.7-72.8178178.9-173.1-0.7111.8T177 R178 M183 M184 L185T177-R181 WeakPolarHBondContact O-CB 3.33Å; T177-R181 VanDerWaalsContact O-CG 3.27Å; T177-R181 WeakPolarHBondContact O-CG 3.18Å; T177-R181 PolarHBondContact O-N 3.41Å; R178-R181 PolarHBondContact O-N 2.97Å; R181-M183 VanDerWaalsContact C-N 3.33Å; R181-M183 PolarHBondContact O-N 3.16Å; R181-M184 WeakPolarHBondContact O-CB 3.45Å; R181-M184 PolarHBondContact O-N 2.77Å; R181-L185 WeakPolarHBondContact O-CB 3.3Å; R181-L185 PolarHBondContact O-N 3Å
182G98.2Very high97.2Very high2 Ų261.5 Ų61.52%0.02127%0.269CS..Hα-helixtrans-65.6-35.3179.100000113.5I83 R178 D179 Y180 L185 Y186I83-G182 PolarHBondContact N-O 2.66Å; I83-G182 WeakPolarHBondContact O-CA 3.21Å; R178-G182 PolarHBondContact O-N 2.93Å; D179-G182 PolarHBondContact O-N 3.3Å; Y180-G182 VanDerWaalsContact C-N 3.3Å; Y180-G182 PolarHBondContact O-N 3.45Å; G182-L185 PolarHBondContact O-N 3.07Å; G182-Y186 PolarHBondContact O-N 2.9Å; G182-Y186 VanDerWaalsContact O-N 3.09Å
183M98.1Very high97Very high0 Ų062 Ų620%028%0.276CS..Hα-helixtrans-68.8-37.2172.4-72.9-180-152.800112.2F69 L72 L79 P80 V82 W122 D179 Y180 R181 Y186F69-M183 HydrophobicContact CD1-SD 3.96Å; F69-M183 HydrophobicContact CE1-CE 4.26Å; F69-M183 HydrophobicContact CE1-SD 3.96Å; L72-M183 HydrophobicContact CD1-CB 3.86Å; L72-M183 HydrophobicContact CD1-SD 4.42Å; L79-M183 HydrophobicContact CD2-SD 4.15Å; P80-M183 HydrophobicContact CG-CB 3.71Å; P80-M183 HydrophobicContact CG-CG 3.87Å; P80-M183 HydrophobicContact CG-SD 4.46Å; V82-M183 HydrophobicContact CG2-CE 3.64Å; V82-M183 HydrophobicContact CG2-CG 4.11Å; W122-M183 HydrophobicContact CZ2-CE 4.15Å; D179-M183 HydrophobicContact CB-CE 4.36Å; D179-M183 VanDerWaalsContact O-CG 3.26Å; D179-M183 WeakPolarHBondContact O-CG 3.46Å; D179-M183 PolarHBondContact O-N 2.92Å; Y180-M183 PolarHBondContact O-N 2.87Å; R181-M183 VanDerWaalsContact C-N 3.33Å; R181-M183 PolarHBondContact O-N 3.16Å; M183-Y186 WeakPolarHBondContact O-CB 3.43Å; M183-Y186 PolarHBondContact O-N 3.22Å
184M97.6Very high96.9Very high87 Ų8757.8 Ų57.843%0.42926%0.257SS..Hα-helixtrans-66.4-40.5172.2-66.9175.971.300111.7L72 Y180 R181 Y186 A187 L188L72-M184 HydrophobicContact CD1-CG 4.48Å; L72-M184 HydrophobicContact CD2-CG 3.98Å; Y180-M184 HydrophobicContact CD1-SD 3.87Å; Y180-M184 HydrophobicContact CE1-CG 4.44Å; Y180-M184 HydrophobicContact CE1-SD 3.45Å; Y180-M184 WeakPolarHBondContact CE1-SD 3.29Å; Y180-M184 WeakPolarHBondContact O-CG 3.39Å; Y180-M184 PolarHBondContact O-N 2.83Å; Y180-M184 VanDerWaalsContact O-N 3.09Å; R181-M184 WeakPolarHBondContact O-CB 3.45Å; R181-M184 PolarHBondContact O-N 2.77Å; M184-Y186 VanDerWaalsContact C-N 3.29Å; M184-Y186 PolarHBondContact O-N 3.44Å; M184-A187 WeakPolarHBondContact O-CB 3.48Å; M184-A187 PolarHBondContact O-N 2.93Å; M184-A187 VanDerWaalsContact O-N 3.08Å; M184-L188 PolarHBondContact O-N 2.87Å
185L97.4Very high96.9Very high28 Ų2851.7 Ų51.715%0.14723%0.23CC..Hα-helixtrans-60.8-39.4177.6-179.958.8000111.5I83 E85 R181 G182 A187 L188 L189I83-L185 HydrophobicContact CB-CD2 4.09Å; I83-L185 HydrophobicContact CB-CG 4.36Å; I83-L185 HydrophobicContact CG2-CD2 3.73Å; I83-L185 HydrophobicContact CG2-CG 4.26Å; E85-L185 HydrophobicContact CB-CD2 3.93Å; R181-L185 WeakPolarHBondContact O-CB 3.3Å; R181-L185 PolarHBondContact O-N 3Å; G182-L185 PolarHBondContact O-N 3.07Å; L185-A187 VanDerWaalsContact C-N 3.31Å; L185-A187 PolarHBondContact O-N 3.47Å; L185-L188 PolarHBondContact O-N 3.31Å; L185-L188 VanDerWaalsContact O-N 3.17Å; L185-L189 HydrophobicContact CD1-CD1 4.31Å; L185-L189 HydrophobicContact CD1-CG 4.07Å; L185-L189 HydrophobicContact CG-CD1 4.07Å; L185-L189 HydrophobicContact CG-CG 4.27Å; L185-L189 WeakPolarHBondContact O-CG 3.4Å; L185-L189 PolarHBondContact O-N 3.4Å
186Y98.2Very high96.8Very high9 Ų948.9 Ų48.94%0.03523%0.226CC..Hα-helixtrans-53.9-47.1171.2167.7-92.5000112.3W78 P80 P81 I83 G182 M183 M184 L188 L189 W190 I195 R197 A227W78-Y186 HydrophobicContact CH2-CE1 4.06Å; W78-Y186 HydrophobicContact CZ3-CE1 4.12Å; P80-Y186 HydrophobicContact CB-CD1 3.24Å; P80-Y186 HydrophobicContact CB-CE1 3.74Å; P80-Y186 HydrophobicContact CB-CG 3.74Å; P80-Y186 HydrophobicContact CG-CD1 4.27Å; P81-Y186 VanDerWaalsContact CD-CD2 3.49Å; P81-Y186 HydrophobicContact CG-CD2 3.26Å; P81-Y186 HydrophobicContact CG-CE2 3.74Å; P81-Y186 HydrophobicContact CG-CG 3.83Å; I83-Y186 HydrophobicContact CD1-CD2 4.18Å; I83-Y186 HydrophobicContact CD1-CG 4.45Å; G182-Y186 PolarHBondContact O-N 2.9Å; G182-Y186 VanDerWaalsContact O-N 3.09Å; M183-Y186 WeakPolarHBondContact O-CB 3.43Å; M183-Y186 PolarHBondContact O-N 3.22Å; M184-Y186 VanDerWaalsContact C-N 3.29Å; M184-Y186 PolarHBondContact O-N 3.44Å; Y186-L188 VanDerWaalsContact C-N 3.27Å; Y186-L188 PolarHBondContact O-N 2.78Å; Y186-L189 PolarHBondContact O-N 3.03Å; Y186-W190 HydrophobicContact CE1-CB 4.49Å; Y186-W190 VanDerWaalsContact O-CB 3.28Å; Y186-W190 WeakPolarHBondContact O-CB 3.42Å; Y186-W190 PolarHBondContact O-N 3.06Å; Y186-I195 HydrophobicContact CD2-CD1 3.85Å; Y186-I195 HydrophobicContact CD2-CG1 4.18Å; Y186-I195 HydrophobicContact CD2-CG2 3.82Å; Y186-I195 HydrophobicContact CE2-CD1 4.15Å; Y186-I195 HydrophobicContact CE2-CG1 4.06Å; Y186-I195 HydrophobicContact CE2-CG2 3.92Å; Y186-R197 WeakPolarHBondContact OH-CA 3.25Å; Y186-A227 HydrophobicContact CE2-CB 3.93Å
187A95.7Very high96.7Very high43 Ų4352.5 Ų52.536%0.35524%0.239SC..Hα-helixtrans-61.7-37.6-179.700000112M184 L185 R191M184-A187 WeakPolarHBondContact O-CB 3.48Å; M184-A187 PolarHBondContact O-N 2.93Å; M184-A187 VanDerWaalsContact O-N 3.08Å; L185-A187 VanDerWaalsContact C-N 3.31Å; L185-A187 PolarHBondContact O-N 3.47Å; A187-R191 PolarHBondContact O-N 2.77Å
188L94.7Very high96.6Very high75 Ų7551 Ų5139%0.39323%0.23SC..Hα-helixtrans-67.7-47.8176-66.2174.3000112.2M184 L185 Y186 W190 R191 Q192M184-L188 PolarHBondContact O-N 2.87Å; L185-L188 PolarHBondContact O-N 3.31Å; L185-L188 VanDerWaalsContact O-N 3.17Å; Y186-L188 VanDerWaalsContact C-N 3.27Å; Y186-L188 PolarHBondContact O-N 2.78Å; L188-W190 VanDerWaalsContact C-N 3.32Å; L188-W190 PolarHBondContact O-N 3.45Å; L188-R191 PolarHBondContact O-N 3.48Å; L188-Q192 WeakPolarHBondContact O-CG 3.33Å; L188-Q192 PolarHBondContact O-N 2.88Å; L188-Q192 VanDerWaalsContact O-N 3.15Å; L188-Q192 PolarHBondContact O-NE2 3.45Å
189L96Very high96.5Very high3 Ų349.5 Ų49.52%0.01623%0.229CC..Hα-helixtrans-65.4-37.2179.5-68.8-179.7000111.6I83 W104 L185 Y186 Q192 G193 M194 I195 F229I83-L189 HydrophobicContact CD1-CD1 3.74Å; I83-L189 HydrophobicContact CG2-CD1 4.23Å; W104-L189 HydrophobicContact CD2-CD1 4.3Å; W104-L189 HydrophobicContact CD2-CD2 4.41Å; W104-L189 HydrophobicContact CG-CD1 4.08Å; W104-L189 HydrophobicContact CZ2-CD2 4.12Å; L185-L189 HydrophobicContact CD1-CD1 4.31Å; L185-L189 HydrophobicContact CD1-CG 4.07Å; L185-L189 HydrophobicContact CG-CD1 4.07Å; L185-L189 HydrophobicContact CG-CG 4.27Å; L185-L189 WeakPolarHBondContact O-CG 3.4Å; L185-L189 PolarHBondContact O-N 3.4Å; Y186-L189 PolarHBondContact O-N 3.03Å; L189-Q192 CarbonylContact O-C 3.43Å; L189-Q192 PolarHBondContact O-N 3.41Å; L189-G193 PolarHBondContact O-N 2.84Å; L189-G193 VanDerWaalsContact O-N 3.14Å; L189-M194 HydrophobicContact CB-CB 4.22Å; L189-M194 HydrophobicContact CD2-CB 4.18Å; L189-M194 HydrophobicContact CD2-CE 4.17Å; L189-M194 HydrophobicContact CD2-SD 3.79Å; L189-M194 PolarHBondContact O-N 3.41Å; L189-I195 HydrophobicContact CB-CB 4.41Å; L189-I195 HydrophobicContact CB-CG2 3.62Å; L189-F229 HydrophobicContact CD1-CE1 4.11Å
190W95.1Very high96.3Very high139 Ų13950.8 Ų50.853%0.52724%0.237SC..Hα-helixtrans-64.2-44.8177170.757.6000110.9Y186 L188 Q192 G193 I195Y186-W190 HydrophobicContact CE1-CB 4.49Å; Y186-W190 VanDerWaalsContact O-CB 3.28Å; Y186-W190 WeakPolarHBondContact O-CB 3.42Å; Y186-W190 PolarHBondContact O-N 3.06Å; L188-W190 VanDerWaalsContact C-N 3.32Å; L188-W190 PolarHBondContact O-N 3.45Å; W190-Q192 PolarHBondContact O-N 3.31Å; W190-G193 PolarHBondContact O-N 3.35Å; W190-I195 HydrophobicContact CB-CG2 3.96Å
191R93.8Very high96.1Very high163 Ų16351.4 Ų51.462%0.61525%0.245SC*.Hα-helixtrans-60.2-31.2175-172173.567.9-167.22112.5A187 L188 G193A187-R191 PolarHBondContact O-N 2.77Å; L188-R191 PolarHBondContact O-N 3.48Å; R191-G193 VanDerWaalsContact C-N 3.3Å
192Q94.6Very high95.8Very high42 Ų4247 Ų4720%0.19623%0.232CC..THydrogen-bonded Turntrans-82.9-1.4175.6-66.9170.74500113.3L188 L189 W190 M194 W236 R237 V239L188-Q192 WeakPolarHBondContact O-CG 3.33Å; L188-Q192 PolarHBondContact O-N 2.88Å; L188-Q192 VanDerWaalsContact O-N 3.15Å; L188-Q192 PolarHBondContact O-NE2 3.45Å; L189-Q192 CarbonylContact O-C 3.43Å; L189-Q192 PolarHBondContact O-N 3.41Å; W190-Q192 PolarHBondContact O-N 3.31Å; Q192-M194 HydrophobicContact CB-CG 3.89Å; Q192-M194 HydrophobicContact CB-SD 4.07Å; Q192-M194 PolarHBondContact O-N 2.99Å; Q192-M194 PolarHBondContact OE1-SD 2.88Å; Q192-M194 VanDerWaalsContact OE1-SD 3.4Å; Q192-W236 CarbonylContact O-C 3.47Å; Q192-W236 VanDerWaalsContact O-CA 3.22Å; Q192-W236 WeakPolarHBondContact O-CA 3.31Å; Q192-R237 PolarHBondContact O-N 3.19Å; Q192-V239 HydrophobicContact CG-CG2 3.7Å; Q192-V239 VanDerWaalsContact NE2-CG2 3.34Å
193G95.7Very high95.3Very high20 Ų2051.2 Ų51.221%0.20625%0.251CS..THydrogen-bonded Turntrans70.118.6-177.700000114.2L189 W190 R191 T230L189-G193 PolarHBondContact O-N 2.84Å; L189-G193 VanDerWaalsContact O-N 3.14Å; W190-G193 PolarHBondContact O-N 3.35Å; R191-G193 VanDerWaalsContact C-N 3.3Å; G193-T230 WeakPolarHBondContact O-CB 3.43Å
194M96Very high94.7Very high13 Ų1360.3 Ų60.36%0.06429%0.286CS..SBendtrans-93-14.1-176.9-61.9-176.36500113.4W104 L189 Q192 F229 T230 W236W104-M194 HydrophobicContact CE3-CE 3.97Å; W104-M194 HydrophobicContact CH2-CE 3.41Å; W104-M194 VanDerWaalsContact CH2-CE 3.41Å; W104-M194 HydrophobicContact CH2-SD 4.48Å; W104-M194 HydrophobicContact CZ2-CE 4.38Å; W104-M194 HydrophobicContact CZ3-CE 3.17Å; L189-M194 HydrophobicContact CB-CB 4.22Å; L189-M194 HydrophobicContact CD2-CB 4.18Å; L189-M194 HydrophobicContact CD2-CE 4.17Å; L189-M194 HydrophobicContact CD2-SD 3.79Å; L189-M194 PolarHBondContact O-N 3.41Å; Q192-M194 HydrophobicContact CB-CG 3.89Å; Q192-M194 HydrophobicContact CB-SD 4.07Å; Q192-M194 PolarHBondContact O-N 2.99Å; Q192-M194 PolarHBondContact OE1-SD 2.88Å; Q192-M194 VanDerWaalsContact OE1-SD 3.4Å; M194-F229 CarbonylContact O-C 3.56Å; M194-F229 WeakPolarHBondContact O-CA 3.34Å; M194-T230 PolarHBondContact O-N 3.17Å; M194-W236 HydrophobicContact CE-CD2 4.15Å; M194-W236 HydrophobicContact CE-CE3 3.83Å; M194-W236 HydrophobicContact CE-CH2 3.71Å; M194-W236 HydrophobicContact CE-CZ2 4.02Å; M194-W236 HydrophobicContact CE-CZ3 3.6Å; M194-W236 HydrophobicContact CG-CB 4.33Å; M194-W236 HydrophobicContact CG-CD2 3.74Å; M194-W236 HydrophobicContact CG-CE3 4.21Å; M194-W236 HydrophobicContact CG-CG 3.78Å; M194-W236 HydrophobicContact SD-CD2 4.36Å; M194-W236 HydrophobicContact SD-CE3 4.22Å
195I97.5Very high94.1Very high3 Ų360.2 Ų60.22%0.01528%0.284CS..BIsolated β-bridgetrans-141.4142.9173.8-173156.2000109.1I83 I106 Y186 L189 W190 A227 E228 F229I83-I195 HydrophobicContact CD1-CD1 3.74Å; I106-I195 HydrophobicContact CD1-CD1 3.91Å; I106-I195 HydrophobicContact CG1-CD1 4.27Å; Y186-I195 HydrophobicContact CD2-CD1 3.85Å; Y186-I195 HydrophobicContact CD2-CG1 4.18Å; Y186-I195 HydrophobicContact CD2-CG2 3.82Å; Y186-I195 HydrophobicContact CE2-CD1 4.15Å; Y186-I195 HydrophobicContact CE2-CG1 4.06Å; Y186-I195 HydrophobicContact CE2-CG2 3.92Å; L189-I195 HydrophobicContact CB-CB 4.41Å; L189-I195 HydrophobicContact CB-CG2 3.62Å; W190-I195 HydrophobicContact CB-CG2 3.96Å; I195-A227 HydrophobicContact CD1-CB 4.28Å; I195-A227 HydrophobicContact CG1-CB 4.23Å; I195-E228 WeakPolarHBondContact CA-O 3.41Å; I195-E228 WeakPolarHBondContact CG1-O 3.29Å; I195-F229 HydrophobicContact CB-CD1 4.22Å; I195-F229 HydrophobicContact CD1-CD1 4.01Å; I195-F229 HydrophobicContact CD1-CE1 3.91Å; I195-F229 HydrophobicContact CG1-CD1 4.4Å
196T96.7Very high93.4Very high54 Ų5464.9 Ų64.933%0.33131%0.314SS..PPolyproline II helixtrans-81159.517860.70000111.2A227 E228T196-A227 WeakPolarHBondContact O-CB 3.22Å; T196-E228 PolarHBondContact N-O 2.96Å; T196-E228 PolarHBondContact OG1-N 3.38Å; T196-E228 PolarHBondContact OG1-O 3.45Å
197R95.7Very high92.6Very high77 Ų7768.6 Ų68.629%0.29134%0.337SS..PPolyproline II helixtrans-81.8145.8166.2-171.5-175.8167.9-72.5-9.9109E76 W78 Y186E76-R197 IonicContact OE1-CZ 3.6Å; E76-R197 IonicContact OE1-NE 2.81Å; E76-R197 IonicContact OE1-NH2 3.42Å; E76-R197 PolarHBondContact OE1-NH2 2.87Å; E76-R197 IonicContact OE2-CZ 3.93Å; E76-R197 IonicContact OE2-NE 3.45Å; E76-R197 IonicContact OE2-NH2 3.58Å; E76-R197 PolarHBondContact OE2-NH2 3.03Å; W78-R197 HydrophobicContact CH2-CG 4.14Å; W78-R197 HydrophobicContact CZ2-CG 3.7Å; Y186-R197 WeakPolarHBondContact OH-CA 3.25Å
198P96.5Very high92.1Very high2 Ų267.6 Ų67.61%0.01333%0.327CS..PPolyproline II helixtrans-56.8147.2167.928-40.6000111.9W78 E110 L223 T225W78-P198 HydrophobicContact CD2-CG 4Å; W78-P198 HydrophobicContact CE3-CG 4.38Å; W78-P198 HydrophobicContact CH2-CG 4.08Å; W78-P198 HydrophobicContact CZ2-CG 3.61Å; W78-P198 HydrophobicContact CZ3-CG 4.43Å; E110-P198 HydrophobicContact CG-CB 3.92Å; E110-P198 HydrophobicContact CG-CG 3.91Å; P198-L223 HydrophobicContact CB-CD2 3.6Å; P198-L223 HydrophobicContact CG-CD2 4.13Å; P198-T225 CarbonylContact C-O 3.58Å; P198-T225 VanDerWaalsContact CA-O 3.23Å; P198-T225 WeakPolarHBondContact CA-O 3.44Å; P198-T225 WeakPolarHBondContact CB-O 3.38Å
199D94.8Very high91.6Very high63 Ų6366.6 Ų66.634%0.33734%0.335SS..EExtended strand (participates in β ladder)trans-84.7125.7167.8-17219.5000108.7K224 T225D199-K224 HydrophobicContact CB-CB 4.31Å; D199-K224 PolarHBondContact O-N 2.79Å; D199-K224 WeakPolarHBondContact OD2-CD 3.5Å; D199-K224 IonicContact OD2-NZ 3.69Å; D199-K224 PolarHBondContact OD2-NZ 2.82Å; D199-T225 WeakPolarHBondContact CB-OG1 3.44Å; D199-T225 PolarHBondContact N-O 2.92Å; D199-T225 PolarHBondContact N-OG1 2.73Å
200V94.6Very high91.2Very high26 Ų2671.7 Ų71.716%0.15836%0.362CS..EExtended strand (participates in β ladder)trans-114.4118-179.6176.10000108.3E76 F112 R221 R222 L223E76-V200 HydrophobicContact CB-CG1 4.47Å; F112-V200 HydrophobicContact CE1-CG1 4.29Å; F112-V200 HydrophobicContact CZ-CG1 3.88Å; F112-V200 HydrophobicContact CZ-CG2 4.29Å; V200-R221 HydrophobicContact CG1-CB 4.33Å; V200-R222 CarbonylContact C-O 3.53Å; V200-R222 WeakPolarHBondContact CA-O 3.34Å; V200-L223 HydrophobicContact CG2-CD2 4.02Å
201T93.3Very high90.9Very high55 Ų5569.6 Ų69.634%0.33738%0.384SS..EExtended strand (participates in β ladder)trans-94143.3171.855.50000110.3R221 R222 K224T201-R221 CarbonylContact O-C 3.59Å; T201-R221 VanDerWaalsContact O-CA 3.27Å; T201-R221 WeakPolarHBondContact O-CA 3.49Å; T201-R222 PolarHBondContact N-O 3.36Å; T201-R222 PolarHBondContact O-N 2.94Å; T201-K224 HydrophobicContact CG2-CB 3.89Å; T201-K224 HydrophobicContact CG2-CD 3.61Å; T201-K224 HydrophobicContact CG2-CG 4.36Å
202E90.7Very high90.8Very high84 Ų8473.6 Ų73.639%0.39340%0.399SS..EExtended strand (participates in β ladder)trans-124124.3179.4-179.4165.413900108.9R204 H219 R221E202-R204 HydrophobicContact CG-CG 4.46Å; E202-R204 IonicContact OE1-CZ 3.21Å; E202-R204 IonicContact OE1-NE 3.77Å; E202-R204 PolarHBondContact OE1-NE 3.42Å; E202-R204 IonicContact OE1-NH2 2.75Å; E202-R204 PolarHBondContact OE1-NH2 3.34Å; E202-H219 VanDerWaalsContact CG-CE1 3.42Å; E202-H219 WeakPolarHBondContact CG-CE1 3.49Å; E202-H219 VanDerWaalsContact CG-NE2 3.3Å; E202-H219 WeakPolarHBondContact CG-NE2 3.27Å; E202-H219 IonicContact OE1-CD2 2.79Å; E202-H219 IonicContact OE1-CE1 3.25Å; E202-H219 IonicContact OE1-NE2 3.9Å; E202-H219 PolarHBondContact OE1-NE2 3.37Å; E202-H219 IonicContact OE2-CE1 3.8Å; E202-H219 PolarHBondContact OE2-CE1 3.16Å; E202-H219 VanDerWaalsContact OE2-CE1 3.27Å; E202-H219 IonicContact OE2-NE2 2.86Å; E202-H219 PolarHBondContact OE2-NE2 3.1Å; E202-R221 HydrophobicContact CG-CG 4.46Å; E202-R221 IonicContact OE2-CZ 2.82Å; E202-R221 IonicContact OE2-NE 2.69Å; E202-R221 PolarHBondContact OE2-NE 3.36Å; E202-R221 VanDerWaalsContact OE2-NE 3.13Å; E202-R221 IonicContact OE2-NH2 3.52Å
203Q88.4Confident90.6Very high90 Ų9077.8 Ų77.842%0.42142%0.416SS..EExtended strand (participates in β ladder)trans-119123.4175.7-173.2173.55.900109Q205 V220Q203-Q205 HydrophobicContact CG-CG 4.35Å; Q203-Q205 VanDerWaalsContact NE2-NE2 3.15Å; Q203-V220 PolarHBondContact N-O 3.22Å; Q203-V220 PolarHBondContact O-N 3.3Å
204R86Confident90.3Very high191 Ų19183.1 Ų83.172%0.72144%0.44SS*.EExtended strand (participates in β ladder)trans-109.6128.1175.5-60.1-173.4-177-169.80.4109.1E202 D218E202-R204 HydrophobicContact CG-CG 4.46Å; E202-R204 IonicContact OE1-CZ 3.21Å; E202-R204 IonicContact OE1-NE 3.77Å; E202-R204 PolarHBondContact OE1-NE 3.42Å; E202-R204 IonicContact OE1-NH2 2.75Å; E202-R204 PolarHBondContact OE1-NH2 3.34Å; R204-D218 WeakPolarHBondContact CA-O 3.48Å
205Q83.8Confident90Very high84 Ų8485 Ų8539%0.39345%0.449SS..EExtended strand (participates in β ladder)trans-126.5124.8174.7-68-175.9-30.600109.1Q203 V207 T208 G217 D218Q203-Q205 HydrophobicContact CG-CG 4.35Å; Q203-Q205 VanDerWaalsContact NE2-NE2 3.15Å; Q205-V207 VanDerWaalsContact C-N 3.3Å; Q205-V207 PolarHBondContact O-N 3.02Å; Q205-T208 HydrophobicContact CB-CG2 3.34Å; Q205-T208 HydrophobicContact CG-CG2 4.13Å; Q205-G217 CarbonylContact O-C 3.49Å; Q205-D218 HydrophobicContact CB-CB 4.35Å; Q205-D218 PolarHBondContact N-O 2.96Å; Q205-D218 PolarHBondContact O-N 3.47Å
206T82.7Confident89.5Confident126 Ų12689.9 Ų89.977%0.77348%0.479SS*.EExtended strand (participates in β ladder)trans-63.4-38.9-176.1-48.60000111.7T216 G217T206-T216 WeakPolarHBondContact O-CA 3.34Å; T206-G217 PolarHBondContact O-N 3.33Å
207V82.1Confident88.9Confident88 Ų8890.1 Ų90.153%0.53349%0.492SS..EExtended strand (participates in β ladder)trans-142124.7178.9-177.70000109.1Q205 L214 I215Q205-V207 VanDerWaalsContact C-N 3.3Å; Q205-V207 PolarHBondContact O-N 3.02Å; V207-L214 HydrophobicContact CG1-CD1 3.33Å; V207-L214 HydrophobicContact CG1-CG 4.23Å; V207-I215 CarbonylContact C-O 3.6Å; V207-I215 VanDerWaalsContact CA-O 3.31Å; V207-I215 WeakPolarHBondContact CA-O 3.46Å
208T84.6Confident88.4Confident21 Ų2188.5 Ų88.513%0.12949%0.489CS..EExtended strand (participates in β ladder)trans-129.5166171.170.10000109.3Q205 I215 D218Q205-T208 HydrophobicContact CB-CG2 3.34Å; Q205-T208 HydrophobicContact CG-CG2 4.13Å; T208-I215 PolarHBondContact N-O 2.87Å; T208-I215 PolarHBondContact O-N 3.45Å; T208-I215 WeakPolarHBondContact OG1-CB 3.41Å; T208-D218 HydrophobicContact CG2-CB 3.62Å; T208-D218 WeakPolarHBondContact CG2-OD2 3.46Å; T208-D218 WeakPolarHBondContact OG1-CB 3.49Å; T208-D218 PolarHBondContact OG1-OD2 3.38Å
209G85.3Confident87.9Confident55 Ų5591.8 Ų91.857%0.56750%0.504SS*.EExtended strand (participates in β ladder)trans150.7-172.8-177.500000115.5K213G209-K213 CarbonylContact C-O 3.53Å; G209-K213 WeakPolarHBondContact CA-O 3.37Å
210N88.1Confident87.7Confident110 Ų11091 Ų9159%0.58850%0.502SS*.EExtended strand (participates in β ladder)trans-136.2-178.2167.764.432.3000108.8R212 K213N210-R212 PolarHBondContact O-N 2.95Å; N210-R212 PolarHBondContact OD1-N 2.75Å; N210-K213 PolarHBondContact N-O 2.89Å; N210-K213 CarbonylContact O-C 3.48Å; N210-K213 PolarHBondContact O-N 2.8Å; N210-K213 PolarHBondContact OD1-N 2.73Å
211G88.5Confident87.6Confident95 Ų9594.5 Ų94.598%0.97951%0.512SS*.THydrogen-bonded Turntrans-57.9-11.5-178.300000116
212R92.1Very high87.6Confident247 Ų24799 Ų9993%0.93252%0.523SS*.THydrogen-bonded Turntrans-115.3-7.1178.9-61.7-179.667.4134.40.8113.9N210N210-R212 PolarHBondContact O-N 2.95Å; N210-R212 PolarHBondContact OD1-N 2.75Å
213K88.6Confident87.8Confident130 Ų13097 Ų9757%0.56552%0.515SS*.EExtended strand (participates in β ladder)trans-147.6119.2-173.8-175.5179.9-178-175.80110G209 N210 I215G209-K213 CarbonylContact C-O 3.53Å; G209-K213 WeakPolarHBondContact CA-O 3.37Å; N210-K213 PolarHBondContact N-O 2.89Å; N210-K213 CarbonylContact O-C 3.48Å; N210-K213 PolarHBondContact O-N 2.8Å; N210-K213 PolarHBondContact OD1-N 2.73Å; K213-I215 HydrophobicContact CD-CD1 4.3Å; K213-I215 HydrophobicContact CD-CG1 4.33Å; K213-I215 HydrophobicContact CG-CG1 4.19Å
214L90.7Very high88.1Confident132 Ų13299.4 Ų99.469%0.69152%0.524SS*.EExtended strand (participates in β ladder)trans-102.3134.7169.6-169.273.8000108.8V207 T216V207-L214 HydrophobicContact CG1-CD1 3.33Å; V207-L214 HydrophobicContact CG1-CG 4.23Å; L214-T216 HydrophobicContact CD2-CG2 4.4Å
215I89.2Confident88.5Confident53 Ų5393.6 Ų93.627%0.27251%0.51SS..EExtended strand (participates in β ladder)trans-124.4123.3175.7-55.2172.5000106.2V207 T208 K213 D218V207-I215 CarbonylContact C-O 3.6Å; V207-I215 VanDerWaalsContact CA-O 3.31Å; V207-I215 WeakPolarHBondContact CA-O 3.46Å; T208-I215 PolarHBondContact N-O 2.87Å; T208-I215 PolarHBondContact O-N 3.45Å; T208-I215 WeakPolarHBondContact OG1-CB 3.41Å; K213-I215 HydrophobicContact CD-CD1 4.3Å; K213-I215 HydrophobicContact CD-CG1 4.33Å; K213-I215 HydrophobicContact CG-CG1 4.19Å; I215-D218 HydrophobicContact CG2-CB 3.98Å
216T88Confident89.2Confident104 Ų10494 Ų9464%0.63851%0.511SS*.EExtended strand (participates in β ladder)trans-107.1138.3177.7540000109.9T206 L214T206-T216 WeakPolarHBondContact O-CA 3.34Å; L214-T216 HydrophobicContact CD2-CG2 4.4Å
217G84.1Confident89.8Confident59 Ų5988.2 Ų88.261%0.60848%0.477SS*.EExtended strand (participates in β ladder)trans67.839.2179.700000113.5Q205 T206 H219Q205-G217 CarbonylContact O-C 3.49Å; T206-G217 PolarHBondContact O-N 3.33Å; G217-H219 PolarHBondContact O-N 2.84Å
218D84.5Confident90.6Very high43 Ų4390.2 Ų90.223%0.2348%0.48CS..EExtended strand (participates in β ladder)trans-65127.1-179.9-164.72.8000110.5R204 Q205 T208 I215R204-D218 WeakPolarHBondContact CA-O 3.48Å; Q205-D218 HydrophobicContact CB-CB 4.35Å; Q205-D218 PolarHBondContact N-O 2.96Å; Q205-D218 PolarHBondContact O-N 3.47Å; T208-D218 HydrophobicContact CG2-CB 3.62Å; T208-D218 WeakPolarHBondContact CG2-OD2 3.46Å; T208-D218 WeakPolarHBondContact OG1-CB 3.49Å; T208-D218 PolarHBondContact OG1-OD2 3.38Å; I215-D218 HydrophobicContact CG2-CB 3.98Å
219H86.6Confident91.2Very high71 Ų7192.2 Ų92.233%0.32949%0.487SS..EExtended strand (participates in β ladder)trans-129112.7-175.2-171.5-72.6000109E202 G217 R221E202-H219 VanDerWaalsContact CG-CE1 3.42Å; E202-H219 WeakPolarHBondContact CG-CE1 3.49Å; E202-H219 VanDerWaalsContact CG-NE2 3.3Å; E202-H219 WeakPolarHBondContact CG-NE2 3.27Å; E202-H219 IonicContact OE1-CD2 2.79Å; E202-H219 IonicContact OE1-CE1 3.25Å; E202-H219 IonicContact OE1-NE2 3.9Å; E202-H219 PolarHBondContact OE1-NE2 3.37Å; E202-H219 IonicContact OE2-CE1 3.8Å; E202-H219 PolarHBondContact OE2-CE1 3.16Å; E202-H219 VanDerWaalsContact OE2-CE1 3.27Å; E202-H219 IonicContact OE2-NE2 2.86Å; E202-H219 PolarHBondContact OE2-NE2 3.1Å; G217-H219 PolarHBondContact O-N 2.84Å; H219-R221 PolarHBondContact CE1-NE 2.93Å
220V89.8Confident91.7Very high46 Ų4690.5 Ų90.528%0.27947%0.465SS..EExtended strand (participates in β ladder)trans-118.7119.7-177.1-177.30000108.9Q203 R222Q203-V220 PolarHBondContact N-O 3.22Å; Q203-V220 PolarHBondContact O-N 3.3Å; V220-R222 HydrophobicContact CG1-CG 4.14Å
221R91.7Very high91.9Very high101 Ų10192.9 Ų92.938%0.38148%0.478SS..EExtended strand (participates in β ladder)trans-101.7142.8167.3-63.7-170.6-175.5129.215.8110.8E76 F112 V200 T201 E202 H219E76-R221 PolarHBondContact O-NH1 3.11Å; F112-R221 HydrophobicContact CE1-CB 4.11Å; F112-R221 HydrophobicContact CE2-CB 4.24Å; F112-R221 HydrophobicContact CZ-CB 3.75Å; V200-R221 HydrophobicContact CG1-CB 4.33Å; T201-R221 CarbonylContact O-C 3.59Å; T201-R221 VanDerWaalsContact O-CA 3.27Å; T201-R221 WeakPolarHBondContact O-CA 3.49Å; E202-R221 HydrophobicContact CG-CG 4.46Å; E202-R221 IonicContact OE2-CZ 2.82Å; E202-R221 IonicContact OE2-NE 2.69Å; E202-R221 PolarHBondContact OE2-NE 3.36Å; E202-R221 VanDerWaalsContact OE2-NE 3.13Å; E202-R221 IonicContact OE2-NH2 3.52Å; H219-R221 PolarHBondContact CE1-NE 2.93Å
222R94.3Very high92Very high150 Ų15093.3 Ų93.357%0.56645%0.454SS*.EExtended strand (participates in β ladder)trans-135.4141175.9-61.8-177.3-179.8162.21.8110.6V200 T201 V220 K224V200-R222 CarbonylContact C-O 3.53Å; V200-R222 WeakPolarHBondContact CA-O 3.34Å; T201-R222 PolarHBondContact N-O 3.36Å; T201-R222 PolarHBondContact O-N 2.94Å; V220-R222 HydrophobicContact CG1-CG 4.14Å; R222-K224 PolarHBondContact O-N 3.44Å
223L94.2Very high91.7Very high41 Ų4189.3 Ų89.322%0.21544%0.443CS..EExtended strand (participates in β ladder)trans-77.3107.8164.9-71.4161.8000106.5E110 F112 P198 V200E110-L223 HydrophobicContact CG-CD1 3.98Å; E110-L223 HydrophobicContact CG-CD2 3.73Å; F112-L223 HydrophobicContact CD2-CD1 4.37Å; F112-L223 HydrophobicContact CD2-CG 4.3Å; F112-L223 HydrophobicContact CE2-CD1 4.26Å; F112-L223 HydrophobicContact CE2-CG 3.71Å; F112-L223 HydrophobicContact CZ-CD2 4.38Å; F112-L223 HydrophobicContact CZ-CG 4.03Å; P198-L223 HydrophobicContact CB-CD2 3.6Å; P198-L223 HydrophobicContact CG-CD2 4.13Å; V200-L223 HydrophobicContact CG2-CD2 4.02Å
224K94.2Very high91.8Very high140 Ų14088.6 Ų88.661%0.60946%0.455SS*.EExtended strand (participates in β ladder)trans-83.1-42-179.1176.4175.6157-148.70111.2D199 T201 R222D199-K224 HydrophobicContact CB-CB 4.31Å; D199-K224 PolarHBondContact O-N 2.79Å; D199-K224 WeakPolarHBondContact OD2-CD 3.5Å; D199-K224 IonicContact OD2-NZ 3.69Å; D199-K224 PolarHBondContact OD2-NZ 2.82Å; T201-K224 HydrophobicContact CG2-CB 3.89Å; T201-K224 HydrophobicContact CG2-CD 3.61Å; T201-K224 HydrophobicContact CG2-CG 4.36Å; R222-K224 PolarHBondContact O-N 3.44Å
225T95.5Very high91.7Very high70 Ų7089.8 Ų89.843%0.42945%0.45SS..EExtended strand (participates in β ladder)trans-133.7143.5172.861.80000109.5P198 D199P198-T225 CarbonylContact C-O 3.58Å; P198-T225 VanDerWaalsContact CA-O 3.23Å; P198-T225 WeakPolarHBondContact CA-O 3.44Å; P198-T225 WeakPolarHBondContact CB-O 3.38Å; D199-T225 WeakPolarHBondContact CB-OG1 3.44Å; D199-T225 PolarHBondContact N-O 2.92Å; D199-T225 PolarHBondContact N-OG1 2.73Å
226H97.4Very high91.8Very high92 Ų9291.5 Ų91.543%0.42645%0.453SS..  trans-81.2162.7179.8-70-67.6000112.6E110E110-H226 WeakPolarHBondContact OE1-CA 3.29Å; E110-H226 WeakPolarHBondContact OE1-CB 3.45Å; E110-H226 IonicContact OE1-CE1 3.27Å; E110-H226 IonicContact OE1-CG 3.13Å; E110-H226 IonicContact OE1-ND1 3.7Å; E110-H226 PolarHBondContact OE1-ND1 2.98Å
227A97.1Very high91.8Very high5 Ų595.1 Ų95.14%0.04146%0.455CS..  trans-63.7134.8169.500000110.7P81 I106 E110 Y186 I195 T196P81-A227 HydrophobicContact CG-CB 4.02Å; I106-A227 VanDerWaalsContact CD1-O 3.27Å; I106-A227 WeakPolarHBondContact CD1-O 3.46Å; E110-A227 PolarHBondContact OE1-N 3.46Å; E110-A227 WeakPolarHBondContact OE2-CB 3.36Å; E110-A227 PolarHBondContact OE2-N 3.22Å; Y186-A227 HydrophobicContact CE2-CB 3.93Å; I195-A227 HydrophobicContact CD1-CB 4.28Å; I195-A227 HydrophobicContact CG1-CB 4.23Å; T196-A227 WeakPolarHBondContact O-CB 3.22Å
228E97.6Very high91.4Very high130 Ų13097.8 Ų97.861%0.60746%0.461SS*.  trans-137.6144.9-178.2-68.8-179.5172.700111.2I195 T196 T230I195-E228 WeakPolarHBondContact CA-O 3.41Å; I195-E228 WeakPolarHBondContact CG1-O 3.29Å; T196-E228 PolarHBondContact N-O 2.96Å; T196-E228 PolarHBondContact OG1-N 3.38Å; T196-E228 PolarHBondContact OG1-O 3.45Å; E228-T230 PolarHBondContact O-N 3.03Å
229F97.7Very high90.7Very high63 Ų6399.6 Ų99.628%0.27647%0.474SS..BIsolated β-bridgetrans-64.1135176.2-64.4-65.7000111I83 W104 I106 L189 M194 I195 L231I83-F229 HydrophobicContact CD1-CE1 4.25Å; I83-F229 HydrophobicContact CG2-CE1 4.4Å; I83-F229 HydrophobicContact CG2-CZ 4.13Å; W104-F229 HydrophobicContact CB-CE1 3.68Å; W104-F229 HydrophobicContact CB-CE2 4.38Å; W104-F229 HydrophobicContact CB-CZ 3.55Å; W104-F229 WeakPolarHBondContact O-CE2 2.85Å; I106-F229 HydrophobicContact CD1-CD2 4.44Å; I106-F229 HydrophobicContact CD1-CE2 4.14Å; I106-F229 HydrophobicContact CD1-CZ 4.42Å; I106-F229 HydrophobicContact CG1-CE2 3.73Å; I106-F229 HydrophobicContact CG1-CZ 3.77Å; L189-F229 HydrophobicContact CD1-CE1 4.11Å; M194-F229 CarbonylContact O-C 3.56Å; M194-F229 WeakPolarHBondContact O-CA 3.34Å; I195-F229 HydrophobicContact CB-CD1 4.22Å; I195-F229 HydrophobicContact CD1-CD1 4.01Å; I195-F229 HydrophobicContact CD1-CE1 3.91Å; I195-F229 HydrophobicContact CG1-CD1 4.4Å; F229-L231 PolarHBondContact O-N 3.31Å
230T95.3Very high89.6Confident18 Ų18102.2 Ų102.211%0.1150%0.495CS..  trans-84.5106.8175.3-64.10000109G193 M194 E228 Q232 R235 W236G193-T230 WeakPolarHBondContact O-CB 3.43Å; M194-T230 PolarHBondContact O-N 3.17Å; E228-T230 PolarHBondContact O-N 3.03Å; T230-Q232 VanDerWaalsContact C-N 3.26Å; T230-Q232 HydrophobicContact CG2-CB 4.2Å; T230-Q232 PolarHBondContact O-N 2.78Å; T230-R235 HydrophobicContact CG2-CB 3.96Å; T230-R235 HydrophobicContact CG2-CG 4.4Å; T230-W236 VanDerWaalsContact O-CE2 3.31Å; T230-W236 WeakPolarHBondContact O-CZ2 3.27Å; T230-W236 PolarHBondContact O-NE1 2.97Å
231L92.3Very high87.8Confident161 Ų161104.7 Ų104.784%0.84351%0.514SS*.  trans-76.6-14.8178.9-55.9-178.3000113.2F229 K233F229-L231 PolarHBondContact O-N 3.31Å; L231-K233 PolarHBondContact O-N 2.68Å; L231-K233 VanDerWaalsContact O-N 3.14Å
232Q90.5Very high85.6Confident104 Ų104106.2 Ų106.249%0.48654%0.535SS..  trans-7895.8177.6-67-177.2-6.600111T230 S234 R235T230-Q232 VanDerWaalsContact C-N 3.26Å; T230-Q232 HydrophobicContact CG2-CB 4.2Å; T230-Q232 PolarHBondContact O-N 2.78Å; Q232-S234 PolarHBondContact O-N 2.94Å; Q232-S234 VanDerWaalsContact O-N 3.11Å; Q232-R235 HydrophobicContact CB-CG 4.17Å; Q232-R235 WeakPolarHBondContact O-CB 3.38Å; Q232-R235 PolarHBondContact O-N 3.18Å
233K87Confident83.2Confident163 Ų163107.8 Ų107.871%0.70955%0.549SS*.G310 helixtrans-54.7-29.8-179.9-172.2178179.9-178.50114.2L231 R235 W236L231-K233 PolarHBondContact O-N 2.68Å; L231-K233 VanDerWaalsContact O-N 3.14Å; K233-R235 PolarHBondContact O-N 2.93Å; K233-W236 HydrophobicContact CB-CD2 4.49Å; K233-W236 HydrophobicContact CG-CD2 4.3Å; K233-W236 HydrophobicContact CG-CE3 4.08Å; K233-W236 VanDerWaalsContact O-CB 3.31Å; K233-W236 WeakPolarHBondContact O-CB 3.32Å; K233-W236 PolarHBondContact O-N 2.92Å
234S89.5Confident80.7Confident115 Ų115109.1 Ų109.180%0.80457%0.572SS**G310 helixtrans-62.8-19.8176.655.60000113.9Q232 W236Q232-S234 PolarHBondContact O-N 2.94Å; Q232-S234 VanDerWaalsContact O-N 3.11Å; S234-W236 VanDerWaalsContact C-N 3.35Å
235R88.1Confident78.1Confident156 Ų156106.8 Ų106.859%0.58958%0.579SS**G310 helixtrans-85.5-10.9174.4-62-170.5178.5-169.7-0.7112.9T230 Q232 K233T230-R235 HydrophobicContact CG2-CB 3.96Å; T230-R235 HydrophobicContact CG2-CG 4.4Å; Q232-R235 HydrophobicContact CB-CG 4.17Å; Q232-R235 WeakPolarHBondContact O-CB 3.38Å; Q232-R235 PolarHBondContact O-N 3.18Å; K233-R235 PolarHBondContact O-N 2.93Å
236W92Very high75.8Confident90 Ų90109 Ų10934%0.34159%0.594SS.*  trans-78.8143.5-177.2-58.81.1000110.4Q192 M194 T230 K233 S234Q192-W236 CarbonylContact O-C 3.47Å; Q192-W236 VanDerWaalsContact O-CA 3.22Å; Q192-W236 WeakPolarHBondContact O-CA 3.31Å; M194-W236 HydrophobicContact CE-CD2 4.15Å; M194-W236 HydrophobicContact CE-CE3 3.83Å; M194-W236 HydrophobicContact CE-CH2 3.71Å; M194-W236 HydrophobicContact CE-CZ2 4.02Å; M194-W236 HydrophobicContact CE-CZ3 3.6Å; M194-W236 HydrophobicContact CG-CB 4.33Å; M194-W236 HydrophobicContact CG-CD2 3.74Å; M194-W236 HydrophobicContact CG-CE3 4.21Å; M194-W236 HydrophobicContact CG-CG 3.78Å; M194-W236 HydrophobicContact SD-CD2 4.36Å; M194-W236 HydrophobicContact SD-CE3 4.22Å; T230-W236 VanDerWaalsContact O-CE2 3.31Å; T230-W236 WeakPolarHBondContact O-CZ2 3.27Å; T230-W236 PolarHBondContact O-NE1 2.97Å; K233-W236 HydrophobicContact CB-CD2 4.49Å; K233-W236 HydrophobicContact CG-CD2 4.3Å; K233-W236 HydrophobicContact CG-CE3 4.08Å; K233-W236 VanDerWaalsContact O-CB 3.31Å; K233-W236 WeakPolarHBondContact O-CB 3.32Å; K233-W236 PolarHBondContact O-N 2.92Å; S234-W236 VanDerWaalsContact C-N 3.35Å
237R87.7Confident73.2Confident180 Ų180111.9 Ų111.968%0.67961%0.613SS**  trans-110.7121.7177.2-61.6177.7-178.8-177.2-1.6108.4Q192Q192-R237 PolarHBondContact O-N 3.19Å
238P76.6Confident70.6Confident114 Ų114120.3 Ų120.374%0.7465%0.651SS**  trans-63.7142.8-179.926.6-33000110.4V240P238-V240 PolarHBondContact O-N 3.14Å
239V69.2Low67.8Low82 Ų82121.8 Ų121.850%0.49766%0.662SS.*  trans-80.4105.5163.7-175.10000106.2Q192 S241Q192-V239 HydrophobicContact CG-CG2 3.7Å; Q192-V239 VanDerWaalsContact NE2-CG2 3.34Å; V239-S241 VanDerWaalsContact C-N 3.31Å; V239-S241 PolarHBondContact O-N 3.08Å
240V63Low65Low126 Ų126124.3 Ų124.376%0.76468%0.683SS**  trans-75.392.8170.8-157.20000106.6P238 T242P238-V240 PolarHBondContact O-N 3.14Å; V240-T242 PolarHBondContact O-N 2.83Å
241S53.2Low62.5Low97 Ų97138.4 Ų138.468%0.67873%0.734SS**  trans-76.2107.8164.7-61.50000106.3V239 E243V239-S241 VanDerWaalsContact C-N 3.31Å; V239-S241 PolarHBondContact O-N 3.08Å; S241-E243 PolarHBondContact O-N 3.24Å
242T44.7Very low61Low133 Ų133137.3 Ų137.382%0.81673%0.728SS**  trans-69.287.5163.149.10000106.6V240 G244V240-T242 PolarHBondContact O-N 2.83Å; T242-G244 PolarHBondContact O-N 2.89Å
243E44Very low59.4Low184 Ų184139 Ų13986%0.8674%0.741SS**PPolyproline II helixtrans-63.5120.2166.6-160159-150.200106.4S241 A245S241-E243 PolarHBondContact O-N 3.24Å; E243-A245 PolarHBondContact O-N 3.42Å
244G42.5Very low57.9Low69 Ų69137.7 Ų137.771%0.71174%0.743SS**PPolyproline II helixtrans-53.1134.1-174.900000110.7T242T242-G244 PolarHBondContact O-N 2.89Å
245A39.4Very low56Low90 Ų90139 Ų13974%0.74474%0.739SS**PPolyproline II helixtrans-49.4135.6175.600000109.9E243 D247E243-A245 PolarHBondContact O-N 3.42Å; A245-D247 PolarHBondContact O-N 3.06Å
246P46.1Very low54Low116 Ų116137.9 Ų137.975%0.75375%0.749SS**PPolyproline II helixtrans-64.3129.9179.112.3-9.3000109.2E248P246-E248 PolarHBondContact O-N 3.12Å
247D43.4Very low51.5Low154 Ų154141.1 Ų141.182%0.82478%0.776SS**  trans-50.7107.3167.7-79.9-35.7000108.8A245 I249A245-D247 PolarHBondContact O-N 3.06Å; D247-I249 PolarHBondContact O-N 2.98Å
248E42.4Very low48.9Very low181 Ų181138.4 Ų138.485%0.84678%0.783SS**  trans-67.488.6167.4-79.3-174.5156.400108.2P246 T250P246-E248 PolarHBondContact O-N 3.12Å; E248-T250 VanDerWaalsContact C-N 3.29Å; E248-T250 PolarHBondContact O-N 3.15Å
249I39Very low46.8Very low162 Ų162140.2 Ų140.283%0.83179%0.786SS**  trans-72.290.4161.5-53.4177.7000107.3D247D247-I249 PolarHBondContact O-N 2.98Å
250T40.1Very low44.9Very low116 Ų116145.1 Ų145.171%0.71281%0.81SS**  trans-152.8121.4160.316.30000106.2E248E248-T250 VanDerWaalsContact C-N 3.29Å; E248-T250 PolarHBondContact O-N 3.15Å
251R41Very low43.2Very low313 Ų313146.8 Ų146.8100%1.18181%0.814SS**  cis-163.7031.9-166.3-169.6-99.3-145.7-2.7108.5

Retrieved 251 of 251 residues in 749.9 ms (Link to these results)

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