G4VKB7_SCHMA Loading...

Pre-mRNA-splicing factor SYF2

Involved in pre-mRNA splicing.

AlphaFold DB , UniProt , Accession G4VKB7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 223 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
1M43.5Very low57.7Low240 Ų240114.4 Ų114.4100%1.18269%0.686SS**  0113.80-80.1-86.7-175.900107.6
2S49.4Very low59.6Low96 Ų96117.3 Ų117.367%0.67168%0.678SS**  trans59.9108.6169.6-64.70000118.1
3T45.9Very low61.7Low135 Ų135116.5 Ų116.583%0.82867%0.666SS**  cis43.275.416.566.10000114.5
4T50.5Low63.5Low129 Ų129115.9 Ų115.979%0.79166%0.655SS**  trans162.4101.6152.837.10000108.9
5G50.2Low65.1Low68 Ų68117.4 Ų117.470%0.70165%0.651SS**SBendtrans-177.7-41.3173.600000116.5
6D54.4Low66.7Low120 Ų120113.9 Ų113.964%0.64263%0.63SS**THydrogen-bonded Turntrans-90-7.1-167.9-160.928.9000115.2G8 S9 S10D6-G8 PolarHBondContact O-N 3.36Å; D6-S9 PolarHBondContact O-N 3.19Å; D6-S9 WeakPolarHBondContact OD1-CB 3.47Å; D6-S10 PolarHBondContact O-N 3.36Å
7H54.4Low68Low147 Ų147116.4 Ų116.468%0.68163%0.628SS**Hα-helixtrans-65.9-22.7177.7-65.975.4000112.4K11H7-K11 WeakPolarHBondContact O-CB 3.41Å; H7-K11 VanDerWaalsContact O-CG 3.25Å; H7-K11 WeakPolarHBondContact O-CG 3.34Å; H7-K11 PolarHBondContact O-N 3.1Å
8G61.6Low69.4Low51 Ų51116.3 Ų116.353%0.52662%0.623SS.*Hα-helixtrans-71.8-39.9176.100000112.9D6 Y12D6-G8 PolarHBondContact O-N 3.36Å; G8-Y12 VanDerWaalsContact O-CB 3.24Å; G8-Y12 WeakPolarHBondContact O-CB 3.45Å; G8-Y12 PolarHBondContact O-N 3.12Å
9S65.3Low70.6Confident67 Ų67115.4 Ų115.447%0.46962%0.617SS.*Hα-helixtrans-66.6-47.3177.91780000111.3D6 Y12 M13D6-S9 PolarHBondContact O-N 3.19Å; D6-S9 WeakPolarHBondContact OD1-CB 3.47Å; S9-Y12 PolarHBondContact O-N 3.29Å; S9-M13 VanDerWaalsContact O-CG 3.29Å; S9-M13 WeakPolarHBondContact O-CG 3.48Å; S9-M13 PolarHBondContact O-N 2.89Å
10S76.8Confident71.7Confident62 Ų62115 Ų11543%0.43461%0.611SS.*Hα-helixtrans-63.2-47.1178.3-172.60000112.7D6 Y12 M13 E14D6-S10 PolarHBondContact O-N 3.36Å; S10-Y12 VanDerWaalsContact C-N 3.31Å; S10-Y12 PolarHBondContact O-N 3.1Å; S10-M13 PolarHBondContact O-N 3.16Å; S10-E14 PolarHBondContact O-N 3.2Å
11K82.5Confident72.7Confident143 Ų143114.2 Ų114.262%0.62261%0.607SS**Hα-helixtrans-61.9-36.9175.7-75.3179.7179.5-176.40112.7H7 K15H7-K11 WeakPolarHBondContact O-CB 3.41Å; H7-K11 VanDerWaalsContact O-CG 3.25Å; H7-K11 WeakPolarHBondContact O-CG 3.34Å; H7-K11 PolarHBondContact O-N 3.1Å; K11-K15 WeakPolarHBondContact O-CB 3.39Å; K11-K15 PolarHBondContact O-N 3.33Å
12Y81.4Confident75.1Confident150 Ų150110.7 Ų110.759%0.58858%0.58SS**Hα-helixtrans-64-45.6174.8175.1-96.2000111.3G8 S9 S10 K15 L16G8-Y12 VanDerWaalsContact O-CB 3.24Å; G8-Y12 WeakPolarHBondContact O-CB 3.45Å; G8-Y12 PolarHBondContact O-N 3.12Å; S9-Y12 PolarHBondContact O-N 3.29Å; S10-Y12 VanDerWaalsContact C-N 3.31Å; S10-Y12 PolarHBondContact O-N 3.1Å; Y12-K15 PolarHBondContact O-N 3.23Å; Y12-L16 HydrophobicContact CE1-CD1 3.82Å; Y12-L16 WeakPolarHBondContact O-CB 3.43Å; Y12-L16 PolarHBondContact O-N 3.11Å
13M86.4Confident77.2Confident106 Ų106109.3 Ų109.352%0.52257%0.568SS.*Hα-helixtrans-66.1-37.9178.7-68.4-66.1-95.600112.5S9 S10 L16 R17S9-M13 VanDerWaalsContact O-CG 3.29Å; S9-M13 WeakPolarHBondContact O-CG 3.48Å; S9-M13 PolarHBondContact O-N 2.89Å; S10-M13 PolarHBondContact O-N 3.16Å; M13-L16 PolarHBondContact O-N 3.26Å; M13-R17 WeakPolarHBondContact O-CB 3.44Å; M13-R17 PolarHBondContact O-N 3.01Å
14E86.7Confident79.5Confident109 Ų109106.6 Ų106.651%0.50955%0.548SS..Hα-helixtrans-62.8-47.7171.8-77.1177.1171.400111.9S10 L16 R17 E18S10-E14 PolarHBondContact O-N 3.2Å; E14-L16 VanDerWaalsContact C-N 3.29Å; E14-L16 PolarHBondContact O-N 3.25Å; E14-R17 WeakPolarHBondContact O-CB 3.32Å; E14-R17 PolarHBondContact O-N 2.91Å; E14-E18 PolarHBondContact O-N 3.43Å
15K88Confident81.6Confident138 Ų138106.4 Ų106.460%0.654%0.538SS*.Hα-helixtrans-62.1-36.9176.9-172.1167.8-175.7173.20112.2K11 Y12 E18 L19K11-K15 WeakPolarHBondContact O-CB 3.39Å; K11-K15 PolarHBondContact O-N 3.33Å; Y12-K15 PolarHBondContact O-N 3.23Å; K15-E18 PolarHBondContact O-N 3.03Å; K15-L19 HydrophobicContact CG-CD1 4.43Å; K15-L19 WeakPolarHBondContact O-CB 3.46Å; K15-L19 VanDerWaalsContact O-CG 3.29Å; K15-L19 WeakPolarHBondContact O-CG 3.34Å; K15-L19 PolarHBondContact O-N 3.46Å
16L89.9Confident83.7Confident61 Ų61105.2 Ų105.232%0.31952%0.522SS..Hα-helixtrans-67.5-40.6175.9-160.7128000111.1Y12 M13 E14 L19 H20Y12-L16 HydrophobicContact CE1-CD1 3.82Å; Y12-L16 WeakPolarHBondContact O-CB 3.43Å; Y12-L16 PolarHBondContact O-N 3.11Å; M13-L16 PolarHBondContact O-N 3.26Å; E14-L16 VanDerWaalsContact C-N 3.29Å; E14-L16 PolarHBondContact O-N 3.25Å; L16-L19 PolarHBondContact O-N 3.24Å; L16-H20 WeakPolarHBondContact CD2-NE2 3.37Å; L16-H20 PolarHBondContact O-CD2 2.86Å; L16-H20 PolarHBondContact O-N 3.27Å
17R90.1Very high85.5Confident157 Ų157107.7 Ų107.759%0.59252%0.523SS*.Hα-helixtrans-63.7-43.3174.1-162.1-171-64.5128.4-3111.8M13 E14 H20 L21M13-R17 WeakPolarHBondContact O-CB 3.44Å; M13-R17 PolarHBondContact O-N 3.01Å; E14-R17 WeakPolarHBondContact O-CB 3.32Å; E14-R17 PolarHBondContact O-N 2.91Å; R17-H20 PolarHBondContact O-N 3.01Å; R17-L21 WeakPolarHBondContact O-CG 3.22Å; R17-L21 PolarHBondContact O-N 2.91Å
18E92.4Very high87.5Confident114 Ų114107.7 Ų107.753%0.53352%0.52SS..Hα-helixtrans-60.8-45.4174.3-170.9-169.6164.800111.5E14 K15 H20 L21 R22E14-E18 PolarHBondContact O-N 3.43Å; K15-E18 PolarHBondContact O-N 3.03Å; E18-H20 VanDerWaalsContact C-N 3.35Å; E18-H20 PolarHBondContact O-N 2.74Å; E18-L21 PolarHBondContact O-N 3.26Å; E18-R22 WeakPolarHBondContact O-CB 3.45Å; E18-R22 PolarHBondContact O-N 3.17Å
19L92Very high89Confident99 Ų99107.8 Ų107.852%0.51851%0.513SS..Hα-helixtrans-60.5-42.8175.2-77.5168000111.9K15 L16 R22 V23K15-L19 HydrophobicContact CG-CD1 4.43Å; K15-L19 WeakPolarHBondContact O-CB 3.46Å; K15-L19 VanDerWaalsContact O-CG 3.29Å; K15-L19 WeakPolarHBondContact O-CG 3.34Å; K15-L19 PolarHBondContact O-N 3.46Å; L16-L19 PolarHBondContact O-N 3.24Å; L19-R22 PolarHBondContact O-N 3.24Å; L19-V23 WeakPolarHBondContact O-CB 3.5Å; L19-V23 VanDerWaalsContact O-CG2 3.25Å; L19-V23 WeakPolarHBondContact O-CG2 3.45Å; L19-V23 PolarHBondContact O-N 3.32Å
20H93Very high90.4Very high108 Ų108109.1 Ų109.150%0.552%0.515SS..Hα-helixtrans-63-40.9175.6-81-63.9000112.7L16 R17 E18 V23 N24L16-H20 WeakPolarHBondContact CD2-NE2 3.37Å; L16-H20 PolarHBondContact O-CD2 2.86Å; L16-H20 PolarHBondContact O-N 3.27Å; R17-H20 PolarHBondContact O-N 3.01Å; E18-H20 VanDerWaalsContact C-N 3.35Å; E18-H20 PolarHBondContact O-N 2.74Å; H20-V23 PolarHBondContact O-N 3.08Å; H20-N24 WeakPolarHBondContact O-CB 3.49Å; H20-N24 VanDerWaalsContact O-CG 3.26Å; H20-N24 PolarHBondContact O-N 3.37Å; H20-N24 PolarHBondContact O-ND2 3.3Å
21L93.7Very high91.2Very high99 Ų99112.1 Ų112.152%0.51852%0.522SS..Hα-helixtrans-61.6-47.1174-74.3167.7000110.8R17 E18 V23 N24 E25R17-L21 WeakPolarHBondContact O-CG 3.22Å; R17-L21 PolarHBondContact O-N 2.91Å; E18-L21 PolarHBondContact O-N 3.26Å; L21-V23 PolarHBondContact O-N 3.47Å; L21-N24 CarbonylContact O-C 3.56Å; L21-N24 WeakPolarHBondContact O-CB 3.4Å; L21-N24 PolarHBondContact O-N 2.95Å; L21-N24 VanDerWaalsContact O-N 3.1Å; L21-E25 WeakPolarHBondContact O-CG 3.32Å; L21-E25 PolarHBondContact O-N 3.17Å
22R92.5Very high91.8Very high165 Ų165109.9 Ų109.962%0.62352%0.516SS*.Hα-helixtrans-64.8-37179.4-157.5169.3-173.8132.70.7112.9E18 L19 E25 A26E18-R22 WeakPolarHBondContact O-CB 3.45Å; E18-R22 PolarHBondContact O-N 3.17Å; L19-R22 PolarHBondContact O-N 3.24Å; R22-E25 PolarHBondContact O-N 2.89Å; R22-A26 VanDerWaalsContact O-CB 3.31Å; R22-A26 WeakPolarHBondContact O-CB 3.41Å; R22-A26 PolarHBondContact O-N 3.26Å
23V94.1Very high92.3Very high67 Ų67108.9 Ų108.941%0.40652%0.516SS..Hα-helixtrans-66.3-40.2172.1169.10000110.8L19 H20 L21 A26 R27L19-V23 WeakPolarHBondContact O-CB 3.5Å; L19-V23 VanDerWaalsContact O-CG2 3.25Å; L19-V23 WeakPolarHBondContact O-CG2 3.45Å; L19-V23 PolarHBondContact O-N 3.32Å; H20-V23 PolarHBondContact O-N 3.08Å; L21-V23 PolarHBondContact O-N 3.47Å; V23-A26 PolarHBondContact O-N 3.33Å; V23-R27 WeakPolarHBondContact O-CB 3.43Å; V23-R27 VanDerWaalsContact O-CG 3.28Å; V23-R27 WeakPolarHBondContact O-CG 3.49Å; V23-R27 PolarHBondContact O-N 2.99Å
24N93.9Very high92.7Very high78 Ų78108 Ų10842%0.41752%0.517SS..Hα-helixtrans-68.1-39.5176.1-76.7-22.1000112.2H20 L21 R27 K28H20-N24 WeakPolarHBondContact O-CB 3.49Å; H20-N24 VanDerWaalsContact O-CG 3.26Å; H20-N24 PolarHBondContact O-N 3.37Å; H20-N24 PolarHBondContact O-ND2 3.3Å; L21-N24 CarbonylContact O-C 3.56Å; L21-N24 WeakPolarHBondContact O-CB 3.4Å; L21-N24 PolarHBondContact O-N 2.95Å; L21-N24 VanDerWaalsContact O-N 3.1Å; N24-R27 PolarHBondContact O-N 3.42Å; N24-K28 WeakPolarHBondContact O-CB 3.23Å; N24-K28 WeakPolarHBondContact O-CG 3.28Å; N24-K28 PolarHBondContact O-N 3.05Å
25E94.8Very high93.1Very high125 Ų125105.2 Ų105.258%0.58451%0.507SS*.Hα-helixtrans-60.8-49.2172.1-74.3171.1179.400111L21 R22 R27 K28 S29L21-E25 WeakPolarHBondContact O-CG 3.32Å; L21-E25 PolarHBondContact O-N 3.17Å; R22-E25 PolarHBondContact O-N 2.89Å; E25-R27 VanDerWaalsContact C-N 3.33Å; E25-R27 PolarHBondContact O-N 3.46Å; E25-K28 PolarHBondContact O-N 3.37Å; E25-K28 VanDerWaalsContact O-N 3.16Å; E25-S29 PolarHBondContact O-N 2.95Å; E25-S29 PolarHBondContact O-OG 3.09Å
26A94.2Very high93.2Very high44 Ų44103 Ų10336%0.36450%0.499SS..Hα-helixtrans-60.8-40.4176.200000112.3R22 V23 S29 N30R22-A26 VanDerWaalsContact O-CB 3.31Å; R22-A26 WeakPolarHBondContact O-CB 3.41Å; R22-A26 PolarHBondContact O-N 3.26Å; V23-A26 PolarHBondContact O-N 3.33Å; A26-S29 WeakPolarHBondContact CA-OG 3.48Å; A26-S29 PolarHBondContact O-OG 3.05Å; A26-N30 VanDerWaalsContact O-CB 3.26Å; A26-N30 WeakPolarHBondContact O-CB 3.3Å; A26-N30 PolarHBondContact O-N 2.91Å; A26-N30 PolarHBondContact O-ND2 2.94Å; A26-N30 PolarHBondContact O-OD1 3.37Å
27R92.6Very high93.2Very high172 Ų172106.6 Ų106.665%0.64951%0.514SS*.Hα-helixtrans-62.4-43.6174-78.5177.8-174.9-1711.8111.6V23 N24 E25 H31V23-R27 WeakPolarHBondContact O-CB 3.43Å; V23-R27 VanDerWaalsContact O-CG 3.28Å; V23-R27 WeakPolarHBondContact O-CG 3.49Å; V23-R27 PolarHBondContact O-N 2.99Å; N24-R27 PolarHBondContact O-N 3.42Å; E25-R27 VanDerWaalsContact C-N 3.33Å; E25-R27 PolarHBondContact O-N 3.46Å; R27-H31 VanDerWaalsContact O-CB 3.31Å; R27-H31 WeakPolarHBondContact O-CB 3.42Å; R27-H31 PolarHBondContact O-N 3.03Å
28K95.5Very high93.4Very high146 Ų146102.4 Ų102.464%0.63550%0.504SS*.Hα-helixtrans-65.2-46.6177.4-75.8177.9-178.1-177.80111.7N24 E25 N30 H31 I32N24-K28 WeakPolarHBondContact O-CB 3.23Å; N24-K28 WeakPolarHBondContact O-CG 3.28Å; N24-K28 PolarHBondContact O-N 3.05Å; E25-K28 PolarHBondContact O-N 3.37Å; E25-K28 VanDerWaalsContact O-N 3.16Å; K28-N30 PolarHBondContact O-N 3.48Å; K28-H31 PolarHBondContact O-N 3.26Å; K28-I32 VanDerWaalsContact O-CG1 3.27Å; K28-I32 WeakPolarHBondContact O-CG1 3.3Å; K28-I32 PolarHBondContact O-N 3.2Å
29S94Very high93.3Very high54 Ų54103.3 Ų103.338%0.37851%0.506SS..Hα-helixtrans-62.6-43.6178.763.90000111.5E25 A26 I32 Q33E25-S29 PolarHBondContact O-N 2.95Å; E25-S29 PolarHBondContact O-OG 3.09Å; A26-S29 WeakPolarHBondContact CA-OG 3.48Å; A26-S29 PolarHBondContact O-OG 3.05Å; S29-I32 PolarHBondContact O-N 2.99Å; S29-Q33 WeakPolarHBondContact O-CG 3.46Å; S29-Q33 PolarHBondContact O-N 3.22Å
30N93.5Very high92.9Very high94 Ų94107 Ų10750%0.50351%0.513SS..Hα-helixtrans-63.6-42.7176.5-68.9-4000111.2A26 K28 I32 Q33 V34A26-N30 VanDerWaalsContact O-CB 3.26Å; A26-N30 WeakPolarHBondContact O-CB 3.3Å; A26-N30 PolarHBondContact O-N 2.91Å; A26-N30 PolarHBondContact O-ND2 2.94Å; A26-N30 PolarHBondContact O-OD1 3.37Å; K28-N30 PolarHBondContact O-N 3.48Å; N30-I32 PolarHBondContact O-N 3.4Å; N30-Q33 PolarHBondContact O-N 2.91Å; N30-V34 WeakPolarHBondContact O-CB 3.41Å; N30-V34 VanDerWaalsContact O-CG2 3.28Å; N30-V34 WeakPolarHBondContact O-CG2 3.36Å; N30-V34 PolarHBondContact O-N 3.46Å
31H93.3Very high92.6Very high126 Ų126106.1 Ų106.158%0.58352%0.519SS*.Hα-helixtrans-61.8-43.8176.6-178.360.4000112R27 K28 Q33 V34 V35R27-H31 VanDerWaalsContact O-CB 3.31Å; R27-H31 WeakPolarHBondContact O-CB 3.42Å; R27-H31 PolarHBondContact O-N 3.03Å; K28-H31 PolarHBondContact O-N 3.26Å; H31-Q33 PolarHBondContact O-N 2.96Å; H31-V34 PolarHBondContact O-N 3.14Å; H31-V35 WeakPolarHBondContact O-CB 3.28Å; H31-V35 VanDerWaalsContact O-CG2 3.26Å; H31-V35 WeakPolarHBondContact O-CG2 3.49Å; H31-V35 PolarHBondContact O-N 3.05Å
32I95.4Very high92.4Very high96 Ų96108.4 Ų108.449%0.49253%0.525SS..Hα-helixtrans-59.6-46.8175.9-68.7163.7000110.5K28 S29 N30 V35 E36K28-I32 VanDerWaalsContact O-CG1 3.27Å; K28-I32 WeakPolarHBondContact O-CG1 3.3Å; K28-I32 PolarHBondContact O-N 3.2Å; S29-I32 PolarHBondContact O-N 2.99Å; N30-I32 PolarHBondContact O-N 3.4Å; I32-V35 PolarHBondContact O-N 3.41Å; I32-E36 PolarHBondContact O-N 3.46Å
33Q93.1Very high92.2Very high128 Ų128103.5 Ų103.560%0.59851%0.51SS*.Hα-helixtrans-63.9-42.6179-72.9-167.22.700112.7S29 N30 H31 V35 E36 E37S29-Q33 WeakPolarHBondContact O-CG 3.46Å; S29-Q33 PolarHBondContact O-N 3.22Å; N30-Q33 PolarHBondContact O-N 2.91Å; H31-Q33 PolarHBondContact O-N 2.96Å; Q33-V35 VanDerWaalsContact C-N 3.31Å; Q33-V35 PolarHBondContact O-N 2.87Å; Q33-E36 PolarHBondContact O-N 3.02Å; Q33-E37 WeakPolarHBondContact O-CB 3.38Å; Q33-E37 PolarHBondContact O-N 3.16Å
34V94.5Very high91.9Very high87 Ų87103.7 Ų103.753%0.52751%0.513SS..Hα-helixtrans-61.2-41.2175.5169.50000111N30 H31 E37 D38N30-V34 WeakPolarHBondContact O-CB 3.41Å; N30-V34 VanDerWaalsContact O-CG2 3.28Å; N30-V34 WeakPolarHBondContact O-CG2 3.36Å; N30-V34 PolarHBondContact O-N 3.46Å; H31-V34 PolarHBondContact O-N 3.14Å; V34-E37 PolarHBondContact O-N 2.67Å; V34-D38 WeakPolarHBondContact O-CB 3.36Å; V34-D38 PolarHBondContact O-N 3.15Å
35V94.8Very high91.5Very high51 Ų51106.4 Ų106.431%0.30954%0.538SS..Hα-helixtrans-67.4-39176.4169.70000111.7H31 I32 Q33 K39H31-V35 WeakPolarHBondContact O-CB 3.28Å; H31-V35 VanDerWaalsContact O-CG2 3.26Å; H31-V35 WeakPolarHBondContact O-CG2 3.49Å; H31-V35 PolarHBondContact O-N 3.05Å; I32-V35 PolarHBondContact O-N 3.41Å; Q33-V35 VanDerWaalsContact C-N 3.31Å; Q33-V35 PolarHBondContact O-N 2.87Å; V35-K39 HydrophobicContact CG1-CD 4.37Å; V35-K39 VanDerWaalsContact O-CG 3.27Å; V35-K39 WeakPolarHBondContact O-CG 3.34Å; V35-K39 PolarHBondContact O-N 3.13Å
36E90.9Very high91.3Very high91 Ų91104.5 Ų104.543%0.42553%0.532SS..Hα-helixtrans-67.5-39.4175.2-77.6-171.5178.900112.7I32 Q33 K39 R40I32-E36 PolarHBondContact O-N 3.46Å; Q33-E36 PolarHBondContact O-N 3.02Å; E36-K39 WeakPolarHBondContact O-CB 3.39Å; E36-K39 PolarHBondContact O-N 3.48Å; E36-R40 WeakPolarHBondContact O-CG 3.37Å; E36-R40 PolarHBondContact O-N 3.24Å
37E90Very high91Very high137 Ų137107.2 Ų107.264%0.6453%0.533SS*.Hα-helixtrans-64.9-44.1175.3-171177.3-170.100111.3Q33 V34 K39 R40 S41Q33-E37 WeakPolarHBondContact O-CB 3.38Å; Q33-E37 PolarHBondContact O-N 3.16Å; V34-E37 PolarHBondContact O-N 2.67Å; E37-K39 VanDerWaalsContact C-N 3.33Å; E37-K39 PolarHBondContact O-N 2.72Å; E37-R40 CarbonylContact O-C 3.47Å; E37-R40 PolarHBondContact O-N 3.09Å; E37-R40 VanDerWaalsContact O-N 3.14Å; E37-S41 PolarHBondContact O-N 3.4Å
38D92.3Very high90.7Very high70 Ų70105.3 Ų105.337%0.37453%0.531SS..Hα-helixtrans-63-37174179.167.4000112.3V34 S41 K42V34-D38 WeakPolarHBondContact O-CB 3.36Å; V34-D38 PolarHBondContact O-N 3.15Å; D38-S41 WeakPolarHBondContact CA-OG 3.45Å; D38-S41 PolarHBondContact O-OG 3.16Å; D38-K42 VanDerWaalsContact CG-NZ 3.34Å; D38-K42 WeakPolarHBondContact O-CB 3.41Å; D38-K42 WeakPolarHBondContact O-CD 3.42Å; D38-K42 VanDerWaalsContact O-CG 3.24Å; D38-K42 WeakPolarHBondContact O-CG 3.47Å; D38-K42 PolarHBondContact O-N 2.97Å; D38-K42 WeakPolarHBondContact OD1-CE 3.29Å; D38-K42 IonicContact OD1-NZ 3.11Å; D38-K42 PolarHBondContact OD1-NZ 2.92Å; D38-K42 VanDerWaalsContact OD2-CE 3.29Å; D38-K42 WeakPolarHBondContact OD2-CE 3.41Å; D38-K42 IonicContact OD2-NZ 3.11Å; D38-K42 PolarHBondContact OD2-NZ 2.88Å
39K90.3Very high90.4Very high132 Ų132102.8 Ų102.857%0.57453%0.528SS*.Hα-helixtrans-62-48170.4-75.7171.3-175.91770110.8V35 E36 E37 S41 K42 L43V35-K39 HydrophobicContact CG1-CD 4.37Å; V35-K39 VanDerWaalsContact O-CG 3.27Å; V35-K39 WeakPolarHBondContact O-CG 3.34Å; V35-K39 PolarHBondContact O-N 3.13Å; E36-K39 WeakPolarHBondContact O-CB 3.39Å; E36-K39 PolarHBondContact O-N 3.48Å; E37-K39 VanDerWaalsContact C-N 3.33Å; E37-K39 PolarHBondContact O-N 2.72Å; K39-S41 VanDerWaalsContact C-N 3.34Å; K39-S41 PolarHBondContact O-N 3.28Å; K39-K42 PolarHBondContact O-N 3.35Å; K39-L43 WeakPolarHBondContact O-CG 3.5Å; K39-L43 PolarHBondContact O-N 3.36Å; K39-L43 VanDerWaalsContact O-N 3.13Å
40R85.1Confident90.2Very high178 Ų178107.8 Ų107.867%0.67254%0.539SS*.Hα-helixtrans-62.4-38.5179.3-72.5174.8-170.9-176.36.6112.4E36 E37 K42 L43E36-R40 WeakPolarHBondContact O-CG 3.37Å; E36-R40 PolarHBondContact O-N 3.24Å; E37-R40 CarbonylContact O-C 3.47Å; E37-R40 PolarHBondContact O-N 3.09Å; E37-R40 VanDerWaalsContact O-N 3.14Å; R40-K42 VanDerWaalsContact C-N 3.33Å; R40-L43 WeakPolarHBondContact O-CB 3.46Å; R40-L43 PolarHBondContact O-N 3.23Å
41S85.3Confident90.1Very high89 Ų89106.4 Ų106.462%0.62253%0.529SS*.Hα-helixtrans-69.6-31.8177.673.20000112.4E37 D38 K39 L43E37-S41 PolarHBondContact O-N 3.4Å; D38-S41 WeakPolarHBondContact CA-OG 3.45Å; D38-S41 PolarHBondContact O-OG 3.16Å; K39-S41 VanDerWaalsContact C-N 3.34Å; K39-S41 PolarHBondContact O-N 3.28Å; S41-L43 VanDerWaalsContact C-N 3.33Å
42K89.6Confident90.1Very high147 Ų147107.1 Ų107.164%0.63953%0.53SS*.Hα-helixtrans-79.6-9.8174.2-71.7170.8179.71680114D38 K39 R40D38-K42 VanDerWaalsContact CG-NZ 3.34Å; D38-K42 WeakPolarHBondContact O-CB 3.41Å; D38-K42 WeakPolarHBondContact O-CD 3.42Å; D38-K42 VanDerWaalsContact O-CG 3.24Å; D38-K42 WeakPolarHBondContact O-CG 3.47Å; D38-K42 PolarHBondContact O-N 2.97Å; D38-K42 WeakPolarHBondContact OD1-CE 3.29Å; D38-K42 IonicContact OD1-NZ 3.11Å; D38-K42 PolarHBondContact OD1-NZ 2.92Å; D38-K42 VanDerWaalsContact OD2-CE 3.29Å; D38-K42 WeakPolarHBondContact OD2-CE 3.41Å; D38-K42 IonicContact OD2-NZ 3.11Å; D38-K42 PolarHBondContact OD2-NZ 2.88Å; K39-K42 PolarHBondContact O-N 3.35Å; R40-K42 VanDerWaalsContact C-N 3.33Å
43L88.5Confident89.9Confident62 Ų62110 Ų11033%0.32554%0.535SS..SBendtrans-68.8138.1176.3-71.5175.2000110.1K39 R40 S41 S45 W47K39-L43 WeakPolarHBondContact O-CG 3.5Å; K39-L43 PolarHBondContact O-N 3.36Å; K39-L43 VanDerWaalsContact O-N 3.13Å; R40-L43 WeakPolarHBondContact O-CB 3.46Å; R40-L43 PolarHBondContact O-N 3.23Å; S41-L43 VanDerWaalsContact C-N 3.33Å; L43-S45 PolarHBondContact O-N 3.43Å; L43-W47 HydrophobicContact CB-CB 4.02Å; L43-W47 HydrophobicContact CB-CG 4.2Å; L43-W47 HydrophobicContact CD1-CB 4.44Å; L43-W47 HydrophobicContact CD1-CD2 3.59Å; L43-W47 HydrophobicContact CD1-CE3 3.73Å; L43-W47 HydrophobicContact CD1-CG 3.93Å; L43-W47 HydrophobicContact CD1-CH2 4.49Å; L43-W47 HydrophobicContact CD1-CZ2 4.37Å; L43-W47 HydrophobicContact CD1-CZ3 4.19Å; L43-W47 HydrophobicContact CD2-CB 4.42Å; L43-W47 VanDerWaalsContact CD2-CD1 3.49Å; L43-W47 HydrophobicContact CD2-CD2 4.07Å; L43-W47 HydrophobicContact CD2-CG 3.76Å; L43-W47 HydrophobicContact CG-CD2 4.31Å; L43-W47 HydrophobicContact CG-CG 4.16Å
44P88.5Confident89.9Confident70 Ų70107.6 Ų107.646%0.45553%0.526SS..  trans-55.1142.1168.7-26.235.6000110.7N46 W47P44-N46 VanDerWaalsContact CB-OD1 3.29Å; P44-N46 WeakPolarHBondContact CB-OD1 3.37Å; P44-N46 PolarHBondContact O-N 3.21Å; P44-W47 WeakPolarHBondContact O-CB 3.41Å; P44-W47 PolarHBondContact O-N 2.91Å
45S86.2Confident89.9Confident136 Ų136109.2 Ų109.295%0.95153%0.527SS*.THydrogen-bonded Turntrans-53-24.91791730000113.8L43L43-S45 PolarHBondContact O-N 3.43Å
46N88.9Confident89.8Confident85 Ų85114.4 Ų114.446%0.45554%0.542SS..THydrogen-bonded Turntrans-92.48.2177.767.70.4000114.7P44 E48 V49 R50P44-N46 VanDerWaalsContact CB-OD1 3.29Å; P44-N46 WeakPolarHBondContact CB-OD1 3.37Å; P44-N46 PolarHBondContact O-N 3.21Å; N46-E48 PolarHBondContact O-N 3.17Å; N46-V49 WeakPolarHBondContact O-CB 3.46Å; N46-V49 PolarHBondContact O-N 3.34Å; N46-R50 PolarHBondContact O-N 3.38Å
47W87.8Confident89.9Confident101 Ų101114.5 Ų114.538%0.38354%0.542SS..Hα-helixtrans-60-45-173.1179.686.7000113L43 P44 V49 R50 Q51L43-W47 HydrophobicContact CB-CB 4.02Å; L43-W47 HydrophobicContact CB-CG 4.2Å; L43-W47 HydrophobicContact CD1-CB 4.44Å; L43-W47 HydrophobicContact CD1-CD2 3.59Å; L43-W47 HydrophobicContact CD1-CE3 3.73Å; L43-W47 HydrophobicContact CD1-CG 3.93Å; L43-W47 HydrophobicContact CD1-CH2 4.49Å; L43-W47 HydrophobicContact CD1-CZ2 4.37Å; L43-W47 HydrophobicContact CD1-CZ3 4.19Å; L43-W47 HydrophobicContact CD2-CB 4.42Å; L43-W47 VanDerWaalsContact CD2-CD1 3.49Å; L43-W47 HydrophobicContact CD2-CD2 4.07Å; L43-W47 HydrophobicContact CD2-CG 3.76Å; L43-W47 HydrophobicContact CG-CD2 4.31Å; L43-W47 HydrophobicContact CG-CG 4.16Å; P44-W47 WeakPolarHBondContact O-CB 3.41Å; P44-W47 PolarHBondContact O-N 2.91Å; W47-V49 VanDerWaalsContact C-N 3.29Å; W47-V49 PolarHBondContact O-N 3.34Å; W47-R50 WeakPolarHBondContact O-CB 3.36Å; W47-R50 PolarHBondContact O-N 3.05Å; W47-R50 VanDerWaalsContact O-N 3.11Å; W47-Q51 HydrophobicContact CD2-CG 3.81Å; W47-Q51 HydrophobicContact CE3-CG 4.05Å; W47-Q51 HydrophobicContact CH2-CG 3.85Å; W47-Q51 HydrophobicContact CZ2-CG 3.59Å; W47-Q51 HydrophobicContact CZ3-CG 4.06Å; W47-Q51 WeakPolarHBondContact O-CG 3.46Å; W47-Q51 PolarHBondContact O-N 3.42Å
48E88.1Confident90Very high131 Ų131113 Ų11361%0.61254%0.535SS*.Hα-helixtrans-62.4-37.9177.6-65-175175.200112.2N46 R50 Q51 K52N46-E48 PolarHBondContact O-N 3.17Å; E48-R50 VanDerWaalsContact C-N 3.32Å; E48-Q51 PolarHBondContact O-N 3.48Å; E48-K52 WeakPolarHBondContact O-CB 3.44Å; E48-K52 WeakPolarHBondContact O-CG 3.34Å; E48-K52 PolarHBondContact O-N 2.99Å
49V89.2Confident90.1Very high94 Ų94111.4 Ų111.457%0.5754%0.536SS*.Hα-helixtrans-65.8-39.1176.1178.30000110.3N46 W47 R53N46-V49 WeakPolarHBondContact O-CB 3.46Å; N46-V49 PolarHBondContact O-N 3.34Å; W47-V49 VanDerWaalsContact C-N 3.29Å; W47-V49 PolarHBondContact O-N 3.34Å; V49-R53 WeakPolarHBondContact O-CB 3.37Å; V49-R53 PolarHBondContact O-N 3.43Å
50R89.3Confident90.2Very high159 Ų159105.9 Ų105.960%0.651%0.512SS*.Hα-helixtrans-65.5-43.8174.2-71.6-175.766.9-165-1.1111.9N46 W47 E48 R53 L54N46-R50 PolarHBondContact O-N 3.38Å; W47-R50 WeakPolarHBondContact O-CB 3.36Å; W47-R50 PolarHBondContact O-N 3.05Å; W47-R50 VanDerWaalsContact O-N 3.11Å; E48-R50 VanDerWaalsContact C-N 3.32Å; R50-R53 WeakPolarHBondContact O-CB 3.47Å; R50-R53 PolarHBondContact O-N 3.1Å; R50-L54 PolarHBondContact O-N 3.47Å
51Q91.3Very high90.5Very high64 Ų64103.5 Ų103.530%0.29951%0.509SS..Hα-helixtrans-63.4-46.4177.3-71.5-60.2-49.300111.9W47 E48 R53 L54 Q55W47-Q51 HydrophobicContact CD2-CG 3.81Å; W47-Q51 HydrophobicContact CE3-CG 4.05Å; W47-Q51 HydrophobicContact CH2-CG 3.85Å; W47-Q51 HydrophobicContact CZ2-CG 3.59Å; W47-Q51 HydrophobicContact CZ3-CG 4.06Å; W47-Q51 WeakPolarHBondContact O-CG 3.46Å; W47-Q51 PolarHBondContact O-N 3.42Å; E48-Q51 PolarHBondContact O-N 3.48Å; Q51-R53 VanDerWaalsContact C-N 3.26Å; Q51-R53 PolarHBondContact O-N 3.32Å; Q51-L54 PolarHBondContact O-N 2.96Å; Q51-Q55 WeakPolarHBondContact O-CG 3.45Å; Q51-Q55 PolarHBondContact O-N 2.84Å
52K93Very high90.9Very high142 Ų142103.9 Ų103.962%0.61750%0.503SS*.Hα-helixtrans-60-37.7174.4-75.8177.6179.3171.90112.3E48 W56E48-K52 WeakPolarHBondContact O-CB 3.44Å; E48-K52 WeakPolarHBondContact O-CG 3.34Å; E48-K52 PolarHBondContact O-N 2.99Å; K52-W56 WeakPolarHBondContact O-CB 3.3Å; K52-W56 PolarHBondContact O-N 2.81Å
53R91.7Very high91.1Very high157 Ų15799 Ų9959%0.59248%0.482SS*.Hα-helixtrans-64.5-47.7174.6-179.7179.1-61.2-144.3-0.4111.2V49 R50 Q51 Q55 W56 E57V49-R53 WeakPolarHBondContact O-CB 3.37Å; V49-R53 PolarHBondContact O-N 3.43Å; R50-R53 WeakPolarHBondContact O-CB 3.47Å; R50-R53 PolarHBondContact O-N 3.1Å; Q51-R53 VanDerWaalsContact C-N 3.26Å; Q51-R53 PolarHBondContact O-N 3.32Å; R53-Q55 PolarHBondContact O-N 3.31Å; R53-W56 WeakPolarHBondContact O-CB 3.5Å; R53-W56 PolarHBondContact O-N 2.74Å; R53-W56 VanDerWaalsContact O-N 3.16Å; R53-E57 WeakPolarHBondContact CD-OE1 3.47Å; R53-E57 HydrophobicContact CG-CG 4.36Å; R53-E57 VanDerWaalsContact CG-OE1 3.24Å; R53-E57 WeakPolarHBondContact CG-OE1 3.33Å; R53-E57 WeakPolarHBondContact O-CG 3.47Å; R53-E57 PolarHBondContact O-N 3.08Å
54L93.2Very high91.3Very high76 Ų76101.6 Ų101.640%0.39849%0.487SS..Hα-helixtrans-60.5-46.5178.9-172.969.2000111.3R50 Q51 W56 E57 E58R50-L54 PolarHBondContact O-N 3.47Å; Q51-L54 PolarHBondContact O-N 2.96Å; L54-W56 VanDerWaalsContact C-N 3.28Å; L54-W56 PolarHBondContact O-N 3.34Å; L54-E57 PolarHBondContact O-N 3.41Å; L54-E57 VanDerWaalsContact O-N 3.13Å; L54-E58 WeakPolarHBondContact O-CG 3.31Å; L54-E58 PolarHBondContact O-N 3.11Å
55Q94.5Very high91.6Very high121 Ų121102.8 Ų102.857%0.56549%0.489SS*.Hα-helixtrans-60.1-38175.1-71.417414.300112.4Q51 R53 G59Q51-Q55 WeakPolarHBondContact O-CG 3.45Å; Q51-Q55 PolarHBondContact O-N 2.84Å; R53-Q55 PolarHBondContact O-N 3.31Å; Q55-G59 PolarHBondContact O-N 3.29Å
56W92.9Very high91.9Very high160 Ų160101.1 Ų101.161%0.60647%0.467SS*.Hα-helixtrans-67.8-41.3174.6179.886.1000111.8K52 R53 L54 G59 D60K52-W56 WeakPolarHBondContact O-CB 3.3Å; K52-W56 PolarHBondContact O-N 2.81Å; R53-W56 WeakPolarHBondContact O-CB 3.5Å; R53-W56 PolarHBondContact O-N 2.74Å; R53-W56 VanDerWaalsContact O-N 3.16Å; L54-W56 VanDerWaalsContact C-N 3.28Å; L54-W56 PolarHBondContact O-N 3.34Å; W56-G59 PolarHBondContact O-N 2.8Å; W56-D60 HydrophobicContact CH2-CB 4.43Å; W56-D60 VanDerWaalsContact O-CB 3.3Å; W56-D60 WeakPolarHBondContact O-CB 3.34Å; W56-D60 PolarHBondContact O-N 3.3Å
57E91.6Very high92.1Very high93 Ų9397.3 Ų97.344%0.43545%0.446SS..Hα-helixtrans-63-46.9177-73.1167.9-176.500111.2R53 L54 D60 E61R53-E57 WeakPolarHBondContact CD-OE1 3.47Å; R53-E57 HydrophobicContact CG-CG 4.36Å; R53-E57 VanDerWaalsContact CG-OE1 3.24Å; R53-E57 WeakPolarHBondContact CG-OE1 3.33Å; R53-E57 WeakPolarHBondContact O-CG 3.47Å; R53-E57 PolarHBondContact O-N 3.08Å; L54-E57 PolarHBondContact O-N 3.41Å; L54-E57 VanDerWaalsContact O-N 3.13Å; E57-D60 PolarHBondContact O-N 3.18Å; E57-E61 WeakPolarHBondContact O-CB 3.42Å; E57-E61 PolarHBondContact O-N 2.88Å
58E93Very high92.3Very high105 Ų10597.4 Ų97.449%0.49146%0.455SS..Hα-helixtrans-60.2-47.1174.8-72.4174.1179.900111.6L54 D60 E61 I62L54-E58 WeakPolarHBondContact O-CG 3.31Å; L54-E58 PolarHBondContact O-N 3.11Å; E58-D60 VanDerWaalsContact C-N 3.33Å; E58-D60 PolarHBondContact O-N 3.25Å; E58-E61 PolarHBondContact O-N 2.88Å; E58-I62 VanDerWaalsContact O-CG1 3.32Å; E58-I62 WeakPolarHBondContact O-CG1 3.3Å; E58-I62 PolarHBondContact O-N 3.38Å
59G93.9Very high92.6Very high38 Ų3898.8 Ų98.839%0.39246%0.461SS..Hα-helixtrans-63.2-37.8176.500000113Q55 W56 F63Q55-G59 PolarHBondContact O-N 3.29Å; W56-G59 PolarHBondContact O-N 2.8Å; G59-F63 VanDerWaalsContact O-CB 3.28Å; G59-F63 WeakPolarHBondContact O-CB 3.44Å; G59-F63 PolarHBondContact O-N 3.47Å
60D91.7Very high92.7Very high15 Ų15100.4 Ų100.48%0.0846%0.462CS..Hα-helixtrans-67.9-38.3176.7-15961.4000111.7W56 E57 E58 F63 R64 R78W56-D60 HydrophobicContact CH2-CB 4.43Å; W56-D60 VanDerWaalsContact O-CB 3.3Å; W56-D60 WeakPolarHBondContact O-CB 3.34Å; W56-D60 PolarHBondContact O-N 3.3Å; E57-D60 PolarHBondContact O-N 3.18Å; E58-D60 VanDerWaalsContact C-N 3.33Å; E58-D60 PolarHBondContact O-N 3.25Å; D60-F63 PolarHBondContact O-N 2.81Å; D60-R64 WeakPolarHBondContact O-CB 3.27Å; D60-R64 VanDerWaalsContact O-CG 3.25Å; D60-R64 WeakPolarHBondContact O-CG 3.39Å; D60-R64 PolarHBondContact O-N 3Å; D60-R64 IonicContact OD2-CZ 3.61Å; D60-R64 IonicContact OD2-NE 2.58Å; D60-R64 PolarHBondContact OD2-NE 2.86Å; D60-R64 IonicContact OD2-NH2 3.64Å; D60-R64 PolarHBondContact OD2-NH2 3.29Å; D60-R78 IonicContact OD1-CZ 2.76Å; D60-R78 IonicContact OD1-NH1 3.47Å; D60-R78 PolarHBondContact OD1-NH1 3.25Å; D60-R78 IonicContact OD2-NH1 2.66Å; D60-R78 PolarHBondContact OD2-NH1 2.9Å; D60-R78 VanDerWaalsContact OD2-NH1 3.11Å
61E92.1Very high92.8Very high128 Ų128102.1 Ų102.160%0.59847%0.474SS*.Hα-helixtrans-65.6-46.9176.3-173.8162.5-141.500111.4E57 E58 F63 R64 L65E57-E61 WeakPolarHBondContact O-CB 3.42Å; E57-E61 PolarHBondContact O-N 2.88Å; E58-E61 PolarHBondContact O-N 2.88Å; E61-F63 VanDerWaalsContact C-N 3.35Å; E61-F63 PolarHBondContact O-N 3.01Å; E61-R64 PolarHBondContact O-N 3.19Å; E61-L65 HydrophobicContact CG-CD1 4.28Å; E61-L65 VanDerWaalsContact O-CG 3.31Å; E61-L65 WeakPolarHBondContact O-CG 3.35Å; E61-L65 PolarHBondContact O-N 2.96Å
62I94.6Very high92.8Very high97 Ų97101.8 Ų101.850%0.49747%0.474SS..Hα-helixtrans-57.6-49.1174.1-66.9166.5000110.3E58 R64 L65 E66E58-I62 VanDerWaalsContact O-CG1 3.32Å; E58-I62 WeakPolarHBondContact O-CG1 3.3Å; E58-I62 PolarHBondContact O-N 3.38Å; I62-R64 VanDerWaalsContact C-N 3.34Å; I62-R64 PolarHBondContact O-N 3.25Å; I62-L65 WeakPolarHBondContact O-CB 3.41Å; I62-L65 PolarHBondContact O-N 3Å; I62-L65 VanDerWaalsContact O-N 3.15Å; I62-E66 WeakPolarHBondContact O-CG 3.25Å; I62-E66 PolarHBondContact O-N 3.01Å
63F93.3Very high92.7Very high46 Ų4699.2 Ų99.220%0.20247%0.467CS..Hα-helixtrans-59.5-42.2179174-95.4000112.6G59 D60 E61 E66 C67 P74 M77 R78G59-F63 VanDerWaalsContact O-CB 3.28Å; G59-F63 WeakPolarHBondContact O-CB 3.44Å; G59-F63 PolarHBondContact O-N 3.47Å; D60-F63 PolarHBondContact O-N 2.81Å; E61-F63 VanDerWaalsContact C-N 3.35Å; E61-F63 PolarHBondContact O-N 3.01Å; F63-E66 PolarHBondContact O-N 3.08Å; F63-C67 VanDerWaalsContact CZ-SG 3.53Å; F63-C67 WeakPolarHBondContact O-CB 3.4Å; F63-C67 PolarHBondContact O-N 3.31Å; F63-C67 PolarHBondContact O-SG 2.94Å; F63-P74 HydrophobicContact CD1-CB 4.46Å; F63-P74 HydrophobicContact CE1-CB 3.98Å; F63-P74 WeakPolarHBondContact CE1-O 3.47Å; F63-M77 HydrophobicContact CE2-CB 4.43Å; F63-M77 HydrophobicContact CZ-CB 3.65Å; F63-R78 HydrophobicContact CD1-CG 4.3Å; F63-R78 HydrophobicContact CE1-CG 3.48Å; F63-R78 VanDerWaalsContact CE1-CG 3.48Å; F63-R78 HydrophobicContact CZ-CG 3.73Å
64R92.7Very high92.6Very high115 Ų11592.9 Ų92.943%0.43445%0.446SS..Hα-helixtrans-65.4-40.9175.5-74.3178.5-162.8-166.35.4111.7D60 E61 I62 C67 N68 P74D60-R64 WeakPolarHBondContact O-CB 3.27Å; D60-R64 VanDerWaalsContact O-CG 3.25Å; D60-R64 WeakPolarHBondContact O-CG 3.39Å; D60-R64 PolarHBondContact O-N 3Å; D60-R64 IonicContact OD2-CZ 3.61Å; D60-R64 IonicContact OD2-NE 2.58Å; D60-R64 PolarHBondContact OD2-NE 2.86Å; D60-R64 IonicContact OD2-NH2 3.64Å; D60-R64 PolarHBondContact OD2-NH2 3.29Å; E61-R64 PolarHBondContact O-N 3.19Å; I62-R64 VanDerWaalsContact C-N 3.34Å; I62-R64 PolarHBondContact O-N 3.25Å; R64-C67 PolarHBondContact O-N 3.17Å; R64-N68 WeakPolarHBondContact O-CB 3.17Å; R64-N68 PolarHBondContact O-N 2.96Å; R64-N68 PolarHBondContact O-ND2 3.32Å; R64-P74 HydrophobicContact CG-CB 4.06Å; R64-P74 HydrophobicContact CG-CG 4.37Å
65L94.1Very high92.4Very high96 Ų9694 Ų9450%0.50345%0.453SS..Hα-helixtrans-61.3-45.1176.2-73.3168.9000111.3E61 I62 N68 Q69E61-L65 HydrophobicContact CG-CD1 4.28Å; E61-L65 VanDerWaalsContact O-CG 3.31Å; E61-L65 WeakPolarHBondContact O-CG 3.35Å; E61-L65 PolarHBondContact O-N 2.96Å; I62-L65 WeakPolarHBondContact O-CB 3.41Å; I62-L65 PolarHBondContact O-N 3Å; I62-L65 VanDerWaalsContact O-N 3.15Å; L65-N68 PolarHBondContact O-N 3.45Å; L65-Q69 WeakPolarHBondContact O-CG 3.48Å; L65-Q69 PolarHBondContact O-N 3.32Å
66E93.6Very high92.1Very high101 Ų10196.9 Ų96.947%0.47246%0.458SS..Hα-helixtrans-61.5-45.6175.2-71.4176.6174.400112I62 F63 N68 Q69 Q70I62-E66 WeakPolarHBondContact O-CG 3.25Å; I62-E66 PolarHBondContact O-N 3.01Å; F63-E66 PolarHBondContact O-N 3.08Å; E66-N68 VanDerWaalsContact C-N 3.33Å; E66-N68 PolarHBondContact O-N 3.42Å; E66-Q69 PolarHBondContact O-N 3.2Å; E66-Q70 WeakPolarHBondContact O-CG 3.42Å; E66-Q70 PolarHBondContact O-N 3.3Å; E66-Q70 VanDerWaalsContact O-N 3.08Å
67C92.7Very high91.9Very high4 Ų491.7 Ų91.73%0.02744%0.441CS..Hα-helixtrans-60.7-42175.6-70.60000111.8F63 R64 Q70 K71 I72 P74F63-C67 VanDerWaalsContact CZ-SG 3.53Å; F63-C67 WeakPolarHBondContact O-CB 3.4Å; F63-C67 PolarHBondContact O-N 3.31Å; F63-C67 PolarHBondContact O-SG 2.94Å; R64-C67 PolarHBondContact O-N 3.17Å; C67-Q70 CarbonylContact O-C 3.6Å; C67-Q70 PolarHBondContact O-N 3.23Å; C67-K71 PolarHBondContact O-N 2.87Å; C67-I72 CarbonylContact C-O 3.59Å; C67-I72 WeakPolarHBondContact CB-O 3.24Å; C67-I72 PolarHBondContact O-N 3.41Å; C67-P74 HydrophobicContact CB-CB 4.1Å
68N92.6Very high91.6Very high104 Ų10490.4 Ų90.456%0.55643%0.433SS*.Hα-helixtrans-64.1-40.5177.4-73.9-22.1000112R64 L65 E66 Q70 K71R64-N68 WeakPolarHBondContact O-CB 3.17Å; R64-N68 PolarHBondContact O-N 2.96Å; R64-N68 PolarHBondContact O-ND2 3.32Å; L65-N68 PolarHBondContact O-N 3.45Å; E66-N68 VanDerWaalsContact C-N 3.33Å; E66-N68 PolarHBondContact O-N 3.42Å; N68-Q70 VanDerWaalsContact C-N 3.29Å; N68-Q70 PolarHBondContact O-N 2.96Å; N68-K71 PolarHBondContact O-N 3.32Å; N68-K71 VanDerWaalsContact O-N 3.14Å
69Q94.4Very high91.3Very high160 Ų16088.5 Ų88.575%0.74843%0.434SS*.Hα-helixtrans-61.3-38.8174.1-72172.58.700111.8L65 E66 K71L65-Q69 WeakPolarHBondContact O-CG 3.48Å; L65-Q69 PolarHBondContact O-N 3.32Å; E66-Q69 PolarHBondContact O-N 3.2Å; Q69-K71 VanDerWaalsContact C-N 3.3Å; Q69-K71 PolarHBondContact O-N 3.42Å
70Q91.6Very high91Very high127 Ų12792.5 Ų92.559%0.59345%0.446SS*.THydrogen-bonded Turntrans-81.7-4.1177.2-63.9-179.5800113.8E66 C67 N68 I72E66-Q70 WeakPolarHBondContact O-CG 3.42Å; E66-Q70 PolarHBondContact O-N 3.3Å; E66-Q70 VanDerWaalsContact O-N 3.08Å; C67-Q70 CarbonylContact O-C 3.6Å; C67-Q70 PolarHBondContact O-N 3.23Å; N68-Q70 VanDerWaalsContact C-N 3.29Å; N68-Q70 PolarHBondContact O-N 2.96Å; Q70-I72 VanDerWaalsContact C-N 3.25Å; Q70-I72 HydrophobicContact CB-CD1 3.91Å; Q70-I72 HydrophobicContact CB-CG1 3.87Å; Q70-I72 PolarHBondContact O-N 2.65Å
71K90.2Very high90.7Very high195 Ų19598.2 Ų98.285%0.84848%0.477SS*.THydrogen-bonded Turntrans57.134.3-173.3-54.8-180-179.6178.60113.6C67 N68 Q69C67-K71 PolarHBondContact O-N 2.87Å; N68-K71 PolarHBondContact O-N 3.32Å; N68-K71 VanDerWaalsContact O-N 3.14Å; Q69-K71 VanDerWaalsContact C-N 3.3Å; Q69-K71 PolarHBondContact O-N 3.42Å
72I90.9Very high90.5Very high58 Ų5894.9 Ų94.930%0.29747%0.465SS..  trans-105.3140.9176.4-47.6175.7000109.2C67 Q70 P74 M77C67-I72 CarbonylContact C-O 3.59Å; C67-I72 WeakPolarHBondContact CB-O 3.24Å; C67-I72 PolarHBondContact O-N 3.41Å; Q70-I72 VanDerWaalsContact C-N 3.25Å; Q70-I72 HydrophobicContact CB-CD1 3.91Å; Q70-I72 HydrophobicContact CB-CG1 3.87Å; Q70-I72 PolarHBondContact O-N 2.65Å; I72-P74 WeakPolarHBondContact O-CD 3.27Å; I72-M77 HydrophobicContact CB-CG 4.08Å; I72-M77 HydrophobicContact CD1-SD 4.16Å; I72-M77 HydrophobicContact CG2-CG 3.36Å; I72-M77 HydrophobicContact CG2-SD 3.8Å
73D91.5Very high90.4Very high88 Ų8892.9 Ų92.947%0.47146%0.46SS..  trans-64.5119.7172.3176.62.8000110.5D75 R76 M77D73-D75 VanDerWaalsContact C-N 3.27Å; D73-D75 PolarHBondContact O-N 3.39Å; D73-D75 PolarHBondContact OD1-N 3.17Å; D73-R76 HydrophobicContact CB-CB 4.02Å; D73-R76 PolarHBondContact O-N 3.33Å; D73-M77 PolarHBondContact O-N 2.77Å; D73-M77 VanDerWaalsContact O-N 3.08Å
74P90.5Very high90.2Very high23 Ų2394.3 Ų94.315%0.14948%0.48CS..Hα-helixtrans-62.4-31.3-17825.9-35.8000113F63 R64 C67 I72 R78F63-P74 HydrophobicContact CD1-CB 4.46Å; F63-P74 HydrophobicContact CE1-CB 3.98Å; F63-P74 WeakPolarHBondContact CE1-O 3.47Å; R64-P74 HydrophobicContact CG-CB 4.06Å; R64-P74 HydrophobicContact CG-CG 4.37Å; C67-P74 HydrophobicContact CB-CB 4.1Å; I72-P74 WeakPolarHBondContact O-CD 3.27Å; P74-R78 WeakPolarHBondContact O-CB 3.26Å; P74-R78 WeakPolarHBondContact O-CG 3.45Å; P74-R78 PolarHBondContact O-N 3.32Å; P74-R78 PolarHBondContact O-NE 3.11Å
75D88.5Confident90Very high101 Ų10194.7 Ų94.754%0.5449%0.487SS..Hα-helixtrans-70.6-39.1179.2-74.3-14000111D73 R78 A79D73-D75 VanDerWaalsContact C-N 3.27Å; D73-D75 PolarHBondContact O-N 3.39Å; D73-D75 PolarHBondContact OD1-N 3.17Å; D75-R78 PolarHBondContact O-N 3.45Å; D75-R78 IonicContact OD1-CZ 2.81Å; D75-R78 IonicContact OD1-NE 3.26Å; D75-R78 IonicContact OD1-NH2 2.65Å; D75-R78 PolarHBondContact OD1-NH2 3.3Å; D75-A79 WeakPolarHBondContact O-CB 3.45Å; D75-A79 PolarHBondContact O-N 3.35Å
76R87.1Confident89.9Confident180 Ų18094 Ų9468%0.67948%0.483SS*.Hα-helixtrans-64.5-44.2174.6-170.9176.8179.1-174.9-0.8111.7D73 A79 L80D73-R76 HydrophobicContact CB-CB 4.02Å; D73-R76 PolarHBondContact O-N 3.33Å; R76-A79 WeakPolarHBondContact O-CB 3.44Å; R76-A79 PolarHBondContact O-N 3.38Å; R76-L80 WeakPolarHBondContact O-CG 3.4Å; R76-L80 PolarHBondContact O-N 2.96Å; R76-L80 VanDerWaalsContact O-N 3.16Å
77M88.7Confident89.7Confident52 Ų5291.4 Ų91.426%0.25648%0.478SS..Hα-helixtrans-63.5-40.5176.6-75.3-63.4-71.900112.2F63 I72 D73 A79 L80F63-M77 HydrophobicContact CE2-CB 4.43Å; F63-M77 HydrophobicContact CZ-CB 3.65Å; I72-M77 HydrophobicContact CB-CG 4.08Å; I72-M77 HydrophobicContact CD1-SD 4.16Å; I72-M77 HydrophobicContact CG2-CG 3.36Å; I72-M77 HydrophobicContact CG2-SD 3.8Å; D73-M77 PolarHBondContact O-N 2.77Å; D73-M77 VanDerWaalsContact O-N 3.08Å; M77-A79 VanDerWaalsContact C-N 3.34Å; M77-A79 PolarHBondContact O-N 3.3Å; M77-L80 PolarHBondContact O-N 3.37Å; M77-L80 HydrophobicContact SD-CD1 3.91Å
78R86.9Confident89.6Confident66 Ų6696 Ų9625%0.24950%0.502CS..Hα-helixtrans-61.2-44.1173.5-76.7-176.7-78.2-161.5-0.4111.5D60 F63 P74 D75 L80 N81 V82D60-R78 IonicContact OD1-CZ 2.76Å; D60-R78 IonicContact OD1-NH1 3.47Å; D60-R78 PolarHBondContact OD1-NH1 3.25Å; D60-R78 IonicContact OD2-NH1 2.66Å; D60-R78 PolarHBondContact OD2-NH1 2.9Å; D60-R78 VanDerWaalsContact OD2-NH1 3.11Å; F63-R78 HydrophobicContact CD1-CG 4.3Å; F63-R78 HydrophobicContact CE1-CG 3.48Å; F63-R78 VanDerWaalsContact CE1-CG 3.48Å; F63-R78 HydrophobicContact CZ-CG 3.73Å; P74-R78 WeakPolarHBondContact O-CB 3.26Å; P74-R78 WeakPolarHBondContact O-CG 3.45Å; P74-R78 PolarHBondContact O-N 3.32Å; P74-R78 PolarHBondContact O-NE 3.11Å; D75-R78 PolarHBondContact O-N 3.45Å; D75-R78 IonicContact OD1-CZ 2.81Å; D75-R78 IonicContact OD1-NE 3.26Å; D75-R78 IonicContact OD1-NH2 2.65Å; D75-R78 PolarHBondContact OD1-NH2 3.3Å; R78-L80 PolarHBondContact O-N 3.24Å; R78-N81 PolarHBondContact O-N 2.82Å; R78-N81 VanDerWaalsContact O-N 3.11Å; R78-V82 WeakPolarHBondContact O-CG2 3.47Å; R78-V82 PolarHBondContact O-N 3.45Å
79A86.7Confident89.6Confident64 Ų6497.5 Ų97.553%0.52950%0.501SS..Hα-helixtrans-60.5-32179.100000113D75 R76 M77 N81 V82D75-A79 WeakPolarHBondContact O-CB 3.45Å; D75-A79 PolarHBondContact O-N 3.35Å; R76-A79 WeakPolarHBondContact O-CB 3.44Å; R76-A79 PolarHBondContact O-N 3.38Å; M77-A79 VanDerWaalsContact C-N 3.34Å; M77-A79 PolarHBondContact O-N 3.3Å; A79-N81 VanDerWaalsContact C-N 3.3Å; A79-N81 PolarHBondContact O-N 3.46Å; A79-V82 PolarHBondContact O-N 2.86Å
80L87.2Confident89.2Confident123 Ų12393.4 Ų93.464%0.64448%0.483SS*.Hα-helixtrans-64.9-31.7175.9-68174.1000113.2R76 M77 R78R76-L80 WeakPolarHBondContact O-CG 3.4Å; R76-L80 PolarHBondContact O-N 2.96Å; R76-L80 VanDerWaalsContact O-N 3.16Å; M77-L80 PolarHBondContact O-N 3.37Å; M77-L80 HydrophobicContact SD-CD1 3.91Å; R78-L80 PolarHBondContact O-N 3.24Å
81N85.9Confident89.1Confident134 Ų13491.4 Ų91.472%0.71747%0.474SS*.Hα-helixtrans-85.3-11.4179.2-68.4-33.7000113.1R78 A79 S83R78-N81 PolarHBondContact O-N 2.82Å; R78-N81 VanDerWaalsContact O-N 3.11Å; A79-N81 VanDerWaalsContact C-N 3.3Å; A79-N81 PolarHBondContact O-N 3.46Å; N81-S83 PolarHBondContact O-N 3.12Å
82V87.4Confident89Confident58 Ų5885.4 Ų85.435%0.35245%0.454SS..SBendtrans-82118.5178.1177.70000108.8R78 A79 I86 A87R78-V82 WeakPolarHBondContact O-CG2 3.47Å; R78-V82 PolarHBondContact O-N 3.45Å; A79-V82 PolarHBondContact O-N 2.86Å; V82-I86 HydrophobicContact CG1-CB 3.88Å; V82-I86 HydrophobicContact CG1-CG2 3.76Å; V82-A87 HydrophobicContact CG1-CB 4.12Å
83S91.2Very high88.9Confident56 Ų5689.3 Ų89.339%0.39247%0.465SS..  trans-61.9148.4173.970.80000111N81 E85 I86 A87N81-S83 PolarHBondContact O-N 3.12Å; S83-E85 PolarHBondContact O-N 2.88Å; S83-I86 PolarHBondContact O-N 2.9Å; S83-I86 WeakPolarHBondContact OG-CD1 3.46Å; S83-I86 VanDerWaalsContact OG-CG1 3.3Å; S83-I86 WeakPolarHBondContact OG-CG1 3.43Å; S83-I86 PolarHBondContact OG-N 2.79Å; S83-A87 PolarHBondContact O-N 3.48Å
84A89.2Confident88.7Confident76 Ų7693.8 Ų93.863%0.62848%0.475SS*.Hα-helixtrans-53.4-39.4179.200000112.2I86 A87 D88A84-I86 VanDerWaalsContact C-N 3.34Å; A84-I86 PolarHBondContact O-N 3.08Å; A84-A87 PolarHBondContact O-N 3.27Å; A84-D88 PolarHBondContact O-N 3.25Å
85E89.5Confident88.4Confident122 Ų122100.4 Ų100.457%0.5750%0.497SS*.Hα-helixtrans-61.1-40.5177-163.7-158.1146.900112.7S83 R89S83-E85 PolarHBondContact O-N 2.88Å; E85-R89 WeakPolarHBondContact O-CB 3.43Å; E85-R89 PolarHBondContact O-N 3.35Å; E85-R89 IonicContact OE1-CZ 2.65Å; E85-R89 IonicContact OE1-NH2 3.85Å; E85-R89 PolarHBondContact OE1-NH2 2.95Å
86I91.3Very high88.1Confident83 Ų83103.2 Ų103.243%0.42650%0.504SS..Hα-helixtrans-70.1-40.6178.1-67.1170.6000110.1V82 S83 A84 R89 L90V82-I86 HydrophobicContact CG1-CB 3.88Å; V82-I86 HydrophobicContact CG1-CG2 3.76Å; S83-I86 PolarHBondContact O-N 2.9Å; S83-I86 WeakPolarHBondContact OG-CD1 3.46Å; S83-I86 VanDerWaalsContact OG-CG1 3.3Å; S83-I86 WeakPolarHBondContact OG-CG1 3.43Å; S83-I86 PolarHBondContact OG-N 2.79Å; A84-I86 VanDerWaalsContact C-N 3.34Å; A84-I86 PolarHBondContact O-N 3.08Å; I86-R89 PolarHBondContact O-N 3.22Å; I86-L90 HydrophobicContact CG2-CD1 3.98Å; I86-L90 HydrophobicContact CG2-CG 4.37Å; I86-L90 WeakPolarHBondContact O-CG 3.37Å; I86-L90 PolarHBondContact O-N 3.45Å
87A89.8Confident87.8Confident45 Ų45102 Ų10237%0.37250%0.504SS..Hα-helixtrans-59-48.9176.400000111.4V82 S83 A84 R89 L90 E91V82-A87 HydrophobicContact CG1-CB 4.12Å; S83-A87 PolarHBondContact O-N 3.48Å; A84-A87 PolarHBondContact O-N 3.27Å; A87-R89 VanDerWaalsContact C-N 3.31Å; A87-R89 PolarHBondContact O-N 2.93Å; A87-L90 PolarHBondContact O-N 2.68Å; A87-L90 VanDerWaalsContact O-N 3.15Å; A87-E91 PolarHBondContact O-N 3.26Å
88D91.5Very high87.4Confident100 Ų100104.3 Ų104.354%0.53552%0.524SS..Hα-helixtrans-59.8-41.6176.4-74-18.9000111.8A84 L90 E91 T92A84-D88 PolarHBondContact O-N 3.25Å; D88-L90 PolarHBondContact O-N 3.14Å; D88-E91 PolarHBondContact O-N 3Å; D88-T92 WeakPolarHBondContact O-CB 3.3Å; D88-T92 VanDerWaalsContact O-CG2 3.27Å; D88-T92 WeakPolarHBondContact O-CG2 3.42Å; D88-T92 PolarHBondContact O-N 3.43Å; D88-T92 PolarHBondContact O-OG1 3.22Å
89R91Very high87.2Confident137 Ų137106.2 Ų106.252%0.51754%0.539SS..Hα-helixtrans-65.2-38.7177.2-167.6-176.1-64.7-173.50.5112.2E85 I86 A87 T92 R93E85-R89 WeakPolarHBondContact O-CB 3.43Å; E85-R89 PolarHBondContact O-N 3.35Å; E85-R89 IonicContact OE1-CZ 2.65Å; E85-R89 IonicContact OE1-NH2 3.85Å; E85-R89 PolarHBondContact OE1-NH2 2.95Å; I86-R89 PolarHBondContact O-N 3.22Å; A87-R89 VanDerWaalsContact C-N 3.31Å; A87-R89 PolarHBondContact O-N 2.93Å; R89-T92 WeakPolarHBondContact CA-OG1 3.45Å; R89-T92 PolarHBondContact O-OG1 3Å; R89-R93 WeakPolarHBondContact O-CB 3.29Å; R89-R93 PolarHBondContact O-N 3.27Å
90L87.9Confident87.3Confident73 Ų73107.5 Ų107.538%0.38254%0.541SS..Hα-helixtrans-68.7-42.6176-75.1170000111.1I86 A87 D88 R93 R94I86-L90 HydrophobicContact CG2-CD1 3.98Å; I86-L90 HydrophobicContact CG2-CG 4.37Å; I86-L90 WeakPolarHBondContact O-CG 3.37Å; I86-L90 PolarHBondContact O-N 3.45Å; A87-L90 PolarHBondContact O-N 2.68Å; A87-L90 VanDerWaalsContact O-N 3.15Å; D88-L90 PolarHBondContact O-N 3.14Å; L90-R93 WeakPolarHBondContact O-CB 3.35Å; L90-R93 PolarHBondContact O-N 3.03Å; L90-R94 WeakPolarHBondContact O-CG 3.37Å; L90-R94 PolarHBondContact O-N 3.29Å
91E88.4Confident87.3Confident86 Ų86106.6 Ų106.640%0.40254%0.537SS..Hα-helixtrans-65.3-46.6179-166.3-176-17900111.7A87 D88 R93 R94 R95A87-E91 PolarHBondContact O-N 3.26Å; D88-E91 PolarHBondContact O-N 3Å; E91-R93 PolarHBondContact O-N 3.42Å; E91-R94 WeakPolarHBondContact O-CB 3.47Å; E91-R94 PolarHBondContact O-N 3.5Å; E91-R95 VanDerWaalsContact CD-NH2 3.29Å; E91-R95 HydrophobicContact CG-CG 4.42Å; E91-R95 WeakPolarHBondContact O-CG 3.5Å; E91-R95 PolarHBondContact O-N 3.18Å; E91-R95 IonicContact OE1-CZ 2.88Å; E91-R95 VanDerWaalsContact OE1-CZ 3.23Å; E91-R95 IonicContact OE1-NE 3.23Å; E91-R95 PolarHBondContact OE1-NE 3.42Å; E91-R95 IonicContact OE1-NH2 3.54Å; E91-R95 PolarHBondContact OE1-NH2 3.07Å; E91-R95 IonicContact OE2-NH2 3.07Å
92T88.6Confident87.5Confident69 Ų69109.2 Ų109.242%0.42354%0.544SS..Hα-helixtrans-59.5-35.3175.552.90000112.1D88 R89 K96D88-T92 WeakPolarHBondContact O-CB 3.3Å; D88-T92 VanDerWaalsContact O-CG2 3.27Å; D88-T92 WeakPolarHBondContact O-CG2 3.42Å; D88-T92 PolarHBondContact O-N 3.43Å; D88-T92 PolarHBondContact O-OG1 3.22Å; R89-T92 WeakPolarHBondContact CA-OG1 3.45Å; R89-T92 PolarHBondContact O-OG1 3Å; T92-K96 WeakPolarHBondContact O-CB 3.44Å; T92-K96 VanDerWaalsContact O-CG 3.24Å; T92-K96 WeakPolarHBondContact O-CG 3.47Å; T92-K96 PolarHBondContact O-N 3.35Å
93R88.2Confident87.7Confident139 Ų139108.7 Ų108.753%0.52555%0.551SS.*Hα-helixtrans-67-43.5172.9-171.8-176.6-63.8172.3-1.2111.9R89 L90 E91 K96 K97R89-R93 WeakPolarHBondContact O-CB 3.29Å; R89-R93 PolarHBondContact O-N 3.27Å; L90-R93 WeakPolarHBondContact O-CB 3.35Å; L90-R93 PolarHBondContact O-N 3.03Å; E91-R93 PolarHBondContact O-N 3.42Å; R93-K96 PolarHBondContact O-N 3.05Å; R93-K97 PolarHBondContact O-N 3.16Å; R93-K97 VanDerWaalsContact O-N 3.16Å
94R87.1Confident87.8Confident183 Ų183111.8 Ų111.869%0.69156%0.557SS**Hα-helixtrans-60.3-50.7175.4-72.2176.1179.7-1740110.9L90 E91 K96 K97 C98L90-R94 WeakPolarHBondContact O-CG 3.37Å; L90-R94 PolarHBondContact O-N 3.29Å; E91-R94 WeakPolarHBondContact O-CB 3.47Å; E91-R94 PolarHBondContact O-N 3.5Å; R94-K96 VanDerWaalsContact C-N 3.28Å; R94-K96 PolarHBondContact O-N 2.99Å; R94-K97 WeakPolarHBondContact O-CB 3.5Å; R94-K97 PolarHBondContact O-N 3.06Å; R94-C98 PolarHBondContact O-N 3.26Å; R94-C98 PolarHBondContact O-SG 3.38Å; R94-C98 VanDerWaalsContact O-SG 3.33Å
95R85.3Confident88Confident162 Ų162111.8 Ų111.861%0.61155%0.553SS**Hα-helixtrans-57.4-37.7177-67.1178.9-175.4-169.63.8112.7E91 C98E91-R95 VanDerWaalsContact CD-NH2 3.29Å; E91-R95 HydrophobicContact CG-CG 4.42Å; E91-R95 WeakPolarHBondContact O-CG 3.5Å; E91-R95 PolarHBondContact O-N 3.18Å; E91-R95 IonicContact OE1-CZ 2.88Å; E91-R95 VanDerWaalsContact OE1-CZ 3.23Å; E91-R95 IonicContact OE1-NE 3.23Å; E91-R95 PolarHBondContact OE1-NE 3.42Å; E91-R95 IonicContact OE1-NH2 3.54Å; E91-R95 PolarHBondContact OE1-NH2 3.07Å; E91-R95 IonicContact OE2-NH2 3.07Å; R95-C98 PolarHBondContact O-N 3.37Å
96K82.2Confident88.3Confident160 Ų160109 Ų10970%0.69654%0.544SS*.Hα-helixtrans-67-34.6175.3-76.3173.2-174.9178.60112.9T92 R93 R94 N99T92-K96 WeakPolarHBondContact O-CB 3.44Å; T92-K96 VanDerWaalsContact O-CG 3.24Å; T92-K96 WeakPolarHBondContact O-CG 3.47Å; T92-K96 PolarHBondContact O-N 3.35Å; R93-K96 PolarHBondContact O-N 3.05Å; R94-K96 VanDerWaalsContact C-N 3.28Å; R94-K96 PolarHBondContact O-N 2.99Å; K96-N99 PolarHBondContact O-N 3.23Å
97K80.7Confident88.6Confident153 Ų153114 Ų11467%0.66556%0.559SS**Hα-helixtrans-70.9-29.3176.5-71.7-177.4176.8-170.60112.7R93 R94 N99 T100R93-K97 PolarHBondContact O-N 3.16Å; R93-K97 VanDerWaalsContact O-N 3.16Å; R94-K97 WeakPolarHBondContact O-CB 3.5Å; R94-K97 PolarHBondContact O-N 3.06Å; K97-N99 PolarHBondContact O-N 3.39Å; K97-T100 WeakPolarHBondContact O-CG2 3.42Å
98C80Confident88.9Confident101 Ų101115 Ų11568%0.68257%0.568SS**THydrogen-bonded Turntrans-69.6-14.6177.5-59.40000113.9R94 R95 T100R94-C98 PolarHBondContact O-N 3.26Å; R94-C98 PolarHBondContact O-SG 3.38Å; R94-C98 VanDerWaalsContact O-SG 3.33Å; R95-C98 PolarHBondContact O-N 3.37Å; C98-T100 PolarHBondContact O-N 3.43Å
99N82.4Confident89.1Confident106 Ų106114.1 Ų114.157%0.56756%0.563SS**  trans-90.836-178.8-164.418.4000113K96 K97 R113K96-N99 PolarHBondContact O-N 3.23Å; K97-N99 PolarHBondContact O-N 3.39Å; N99-R113 PolarHBondContact O-NH2 2.89Å; N99-R113 PolarHBondContact OD1-NH1 2.95Å
100T88Confident89.2Confident91 Ų91109.9 Ų109.956%0.55856%0.557SS**  trans-63.9157.7173.440.60000111.2K97 C98K97-T100 WeakPolarHBondContact O-CG2 3.42Å; C98-T100 PolarHBondContact O-N 3.43Å
101D88.2Confident89.5Confident105 Ų105110 Ų11056%0.56156%0.564SS**  trans-85.1115.8173-167-5000108.3G103D101-G103 PolarHBondContact O-N 2.92Å; D101-G103 PolarHBondContact OD1-N 3.13Å
102E89.3Confident89.9Confident188 Ų188111 Ų11188%0.87957%0.569SS**  trans-82.6-2.5-178.3-64.3179.5176.800112.5
103G91.2Very high90.1Very high47 Ų47112.6 Ų112.649%0.48557%0.567SS.*  trans109.1172.2-174.100000112D101 S105D101-G103 PolarHBondContact O-N 2.92Å; D101-G103 PolarHBondContact OD1-N 3.13Å; G103-S105 PolarHBondContact O-N 2.77Å
104F93.6Very high90.3Very high121 Ų121110.8 Ų110.853%0.53156%0.563SS.*  trans-80117.3178.3175.8-97.7000110.4Y107F104-Y107 AromaticContact CE2-CD1 3.85Å; F104-Y107 HydrophobicContact CE2-CD1 3.85Å; F104-Y107 AromaticContact CE2-CE1 3.93Å; F104-Y107 HydrophobicContact CE2-CE1 3.93Å; F104-Y107 HydrophobicContact CE2-CG 4.27Å; F104-Y107 AromaticContact CZ-CD1 3.96Å; F104-Y107 HydrophobicContact CZ-CD1 3.96Å; F104-Y107 HydrophobicContact CZ-CD2 4.1Å; F104-Y107 AromaticContact CZ-CE1 3.86Å; F104-Y107 HydrophobicContact CZ-CE1 3.86Å; F104-Y107 HydrophobicContact CZ-CE2 4Å; F104-Y107 HydrophobicContact CZ-CG 4.08Å; F104-Y107 AromaticContact CZ-CZ 3.88Å
105S93.7Very high90.7Very high76 Ų76108.7 Ų108.753%0.53156%0.556SS.*  trans-97.9-72.7171.755.50000111.3G103 D109G103-S105 PolarHBondContact O-N 2.77Å; S105-D109 VanDerWaalsContact OG-CB 3.3Å; S105-D109 WeakPolarHBondContact OG-CB 3.24Å; S105-D109 PolarHBondContact OG-OD2 3.33Å
106T96.8Very high91.1Very high64 Ų64105.3 Ų105.339%0.39355%0.55SS..  trans-135.2157.6179.970.70000110.6A108 D109 A110T106-A108 PolarHBondContact O-N 3.34Å; T106-D109 PolarHBondContact O-N 2.95Å; T106-D109 PolarHBondContact OG1-N 3.33Å; T106-D109 VanDerWaalsContact OG1-N 3.1Å; T106-D109 PolarHBondContact OG1-OD2 3.42Å; T106-A110 PolarHBondContact O-N 2.65Å; T106-A110 VanDerWaalsContact O-N 3.08Å
107Y96.1Very high91.6Very high187 Ų187103.8 Ų103.873%0.73354%0.543SS*.Hα-helixtrans-62.1-30.3173.5-70.3-69.6000112.1F104 S111F104-Y107 AromaticContact CE2-CD1 3.85Å; F104-Y107 HydrophobicContact CE2-CD1 3.85Å; F104-Y107 AromaticContact CE2-CE1 3.93Å; F104-Y107 HydrophobicContact CE2-CE1 3.93Å; F104-Y107 HydrophobicContact CE2-CG 4.27Å; F104-Y107 AromaticContact CZ-CD1 3.96Å; F104-Y107 HydrophobicContact CZ-CD1 3.96Å; F104-Y107 HydrophobicContact CZ-CD2 4.1Å; F104-Y107 AromaticContact CZ-CE1 3.86Å; F104-Y107 HydrophobicContact CZ-CE1 3.86Å; F104-Y107 HydrophobicContact CZ-CE2 4Å; F104-Y107 HydrophobicContact CZ-CG 4.08Å; F104-Y107 AromaticContact CZ-CZ 3.88Å; Y107-S111 VanDerWaalsContact O-CB 3.23Å; Y107-S111 WeakPolarHBondContact O-CB 3.35Å; Y107-S111 PolarHBondContact O-N 3.33Å; Y107-S111 PolarHBondContact O-OG 3.18Å
108A96.9Very high92.2Very high68 Ų6898.3 Ų98.356%0.56252%0.52SS*.Hα-helixtrans-65.2-48.9176.500000111T106 A110 S111 H112T106-A108 PolarHBondContact O-N 3.34Å; A108-A110 PolarHBondContact O-N 3.49Å; A108-S111 WeakPolarHBondContact O-CB 3.35Å; A108-S111 PolarHBondContact O-N 2.84Å; A108-H112 WeakPolarHBondContact O-CB 3.41Å; A108-H112 PolarHBondContact O-N 3.26Å
109D95.4Very high92.9Very high81 Ų8196.2 Ų96.243%0.43350%0.504SS..Hα-helixtrans-63.1-43.7178.7-60.8-35.6000111.8S105 T106 S111 H112 R113S105-D109 VanDerWaalsContact OG-CB 3.3Å; S105-D109 WeakPolarHBondContact OG-CB 3.24Å; S105-D109 PolarHBondContact OG-OD2 3.33Å; T106-D109 PolarHBondContact O-N 2.95Å; T106-D109 PolarHBondContact OG1-N 3.33Å; T106-D109 VanDerWaalsContact OG1-N 3.1Å; T106-D109 PolarHBondContact OG1-OD2 3.42Å; D109-S111 VanDerWaalsContact C-N 3.29Å; D109-S111 PolarHBondContact O-N 2.92Å; D109-H112 PolarHBondContact O-N 2.9Å; D109-R113 WeakPolarHBondContact O-CB 3.47Å; D109-R113 PolarHBondContact O-N 3.49Å
110A93.7Very high93.4Very high48 Ų4899.9 Ų99.940%0.39752%0.515SS..Hα-helixtrans-61.8-39.417600000111.7T106 A108 K114T106-A110 PolarHBondContact O-N 2.65Å; T106-A110 VanDerWaalsContact O-N 3.08Å; A108-A110 PolarHBondContact O-N 3.49Å; A110-K114 WeakPolarHBondContact O-CB 3.45Å; A110-K114 PolarHBondContact O-N 3.28Å
111S94.6Very high93.5Very high75 Ų75100.8 Ų100.852%0.52451%0.513SS..Hα-helixtrans-68.8-41.3176.7-60.60000111.6Y107 A108 D109 K114 Y115Y107-S111 VanDerWaalsContact O-CB 3.23Å; Y107-S111 WeakPolarHBondContact O-CB 3.35Å; Y107-S111 PolarHBondContact O-N 3.33Å; Y107-S111 PolarHBondContact O-OG 3.18Å; A108-S111 WeakPolarHBondContact O-CB 3.35Å; A108-S111 PolarHBondContact O-N 2.84Å; D109-S111 VanDerWaalsContact C-N 3.29Å; D109-S111 PolarHBondContact O-N 2.92Å; S111-K114 PolarHBondContact O-N 3.05Å; S111-Y115 WeakPolarHBondContact O-CB 3.47Å; S111-Y115 PolarHBondContact O-N 3.28Å
112H95.1Very high93.7Very high107 Ų107100.3 Ų100.350%0.49551%0.51SS..Hα-helixtrans-64.2-46.8175.9179.9-117.3000111.7A108 D109 K114 Y115 L116A108-H112 WeakPolarHBondContact O-CB 3.41Å; A108-H112 PolarHBondContact O-N 3.26Å; D109-H112 PolarHBondContact O-N 2.9Å; H112-K114 VanDerWaalsContact C-N 3.31Å; H112-K114 PolarHBondContact O-N 3.39Å; H112-Y115 WeakPolarHBondContact O-CB 3.39Å; H112-Y115 PolarHBondContact O-N 2.89Å; H112-Y115 VanDerWaalsContact O-N 3.11Å; H112-L116 WeakPolarHBondContact O-CG 3.44Å; H112-L116 PolarHBondContact O-N 2.93Å
113R93.1Very high93.8Very high102 Ų102100.3 Ų100.339%0.38551%0.507SS..Hα-helixtrans-57.3-44.1173.4-179.5178.9173.274.11.9111.6N99 D109 K117N99-R113 PolarHBondContact O-NH2 2.89Å; N99-R113 PolarHBondContact OD1-NH1 2.95Å; D109-R113 WeakPolarHBondContact O-CB 3.47Å; D109-R113 PolarHBondContact O-N 3.49Å; R113-K117 PolarHBondContact O-N 3.23Å
114K93.2Very high93.9Very high101 Ų101102.9 Ų102.944%0.43952%0.515SS..Hα-helixtrans-62.3-45.4174.7-175.7-169.4171.2-165.50110.9A110 S111 H112 K117 M118A110-K114 WeakPolarHBondContact O-CB 3.45Å; A110-K114 PolarHBondContact O-N 3.28Å; S111-K114 PolarHBondContact O-N 3.05Å; H112-K114 VanDerWaalsContact C-N 3.31Å; H112-K114 PolarHBondContact O-N 3.39Å; K114-K117 WeakPolarHBondContact O-CB 3.22Å; K114-K117 PolarHBondContact O-N 3.03Å; K114-M118 HydrophobicContact CD-CE 4.31Å; K114-M118 HydrophobicContact CD-SD 4.46Å; K114-M118 HydrophobicContact CG-CE 4.06Å; K114-M118 HydrophobicContact CG-CG 4.49Å; K114-M118 HydrophobicContact CG-SD 4.2Å; K114-M118 WeakPolarHBondContact O-CG 3.24Å; K114-M118 PolarHBondContact O-N 3.07Å
115Y94.9Very high93.9Very high139 Ų139101 Ų10155%0.54551%0.51SS..Hα-helixtrans-58.7-53.2178.9174-105.5000111.6S111 H112 K117 M118 T119S111-Y115 WeakPolarHBondContact O-CB 3.47Å; S111-Y115 PolarHBondContact O-N 3.28Å; H112-Y115 WeakPolarHBondContact O-CB 3.39Å; H112-Y115 PolarHBondContact O-N 2.89Å; H112-Y115 VanDerWaalsContact O-N 3.11Å; Y115-K117 PolarHBondContact O-N 3.39Å; Y115-M118 PolarHBondContact O-N 2.76Å; Y115-T119 HydrophobicContact CD1-CG2 4.19Å; Y115-T119 HydrophobicContact CD2-CG2 3.98Å; Y115-T119 HydrophobicContact CE1-CG2 3.77Å; Y115-T119 HydrophobicContact CE2-CG2 3.52Å; Y115-T119 HydrophobicContact CG-CG2 4.29Å; Y115-T119 VanDerWaalsContact CZ-CG2 3.41Å; Y115-T119 WeakPolarHBondContact O-CG2 3.37Å; Y115-T119 PolarHBondContact O-N 3.15Å; Y115-T119 PolarHBondContact O-OG1 3.37Å
116L94.4Very high94Very high92 Ų92102.7 Ų102.748%0.48251%0.513SS..Hα-helixtrans-56-35.8176.5-67.9-179.5000112.9H112 T119 K120H112-L116 WeakPolarHBondContact O-CG 3.44Å; H112-L116 PolarHBondContact O-N 2.93Å; L116-T119 WeakPolarHBondContact CA-OG1 3.44Å; L116-T119 PolarHBondContact O-OG1 3.47Å; L116-K120 WeakPolarHBondContact O-CB 3.37Å; L116-K120 PolarHBondContact O-N 2.96Å
117K92.2Very high93.9Very high127 Ų127103.6 Ų103.655%0.55252%0.518SS*.Hα-helixtrans-68-42.6174.7-175.9179.7-179.9175.80111.9R113 K114 Y115 Q121R113-K117 PolarHBondContact O-N 3.23Å; K114-K117 WeakPolarHBondContact O-CB 3.22Å; K114-K117 PolarHBondContact O-N 3.03Å; Y115-K117 PolarHBondContact O-N 3.39Å; K117-Q121 WeakPolarHBondContact O-CG 3.45Å; K117-Q121 PolarHBondContact O-N 2.97Å
118M93.9Very high93.7Very high39 Ų3997 Ų9719%0.19250%0.502CS..Hα-helixtrans-69.3-44.1179.9-69.4-175.1-55.200111.6K114 Y115 K120 Q121 I122 Q169K114-M118 HydrophobicContact CD-CE 4.31Å; K114-M118 HydrophobicContact CD-SD 4.46Å; K114-M118 HydrophobicContact CG-CE 4.06Å; K114-M118 HydrophobicContact CG-CG 4.49Å; K114-M118 HydrophobicContact CG-SD 4.2Å; K114-M118 WeakPolarHBondContact O-CG 3.24Å; K114-M118 PolarHBondContact O-N 3.07Å; Y115-M118 PolarHBondContact O-N 2.76Å; M118-K120 VanDerWaalsContact C-N 3.27Å; M118-K120 PolarHBondContact O-N 3.17Å; M118-Q121 WeakPolarHBondContact O-CB 3.39Å; M118-Q121 PolarHBondContact O-N 3.42Å; M118-I122 WeakPolarHBondContact O-CG1 3.47Å; M118-I122 PolarHBondContact O-N 3.36Å; M118-Q169 HydrophobicContact SD-CG 4.34Å; M118-Q169 PolarHBondContact SD-NE2 3.43Å
119T93.9Very high93.5Very high56 Ų5699.6 Ų99.634%0.34450%0.498SS..Hα-helixtrans-58.9-39.7177.654.60000111.7Y115 L116 Q121 I122Y115-T119 HydrophobicContact CD1-CG2 4.19Å; Y115-T119 HydrophobicContact CD2-CG2 3.98Å; Y115-T119 HydrophobicContact CE1-CG2 3.77Å; Y115-T119 HydrophobicContact CE2-CG2 3.52Å; Y115-T119 HydrophobicContact CG-CG2 4.29Å; Y115-T119 VanDerWaalsContact CZ-CG2 3.41Å; Y115-T119 WeakPolarHBondContact O-CG2 3.37Å; Y115-T119 PolarHBondContact O-N 3.15Å; Y115-T119 PolarHBondContact O-OG1 3.37Å; L116-T119 WeakPolarHBondContact CA-OG1 3.44Å; L116-T119 PolarHBondContact O-OG1 3.47Å; T119-Q121 PolarHBondContact O-N 3.29Å; T119-I122 PolarHBondContact O-N 3.48Å
120K92.3Very high93.5Very high183 Ų183101.1 Ų101.180%0.79650%0.503SS*.Hα-helixtrans-64.3-25.6174.6-169.9174.3-176.21710114.1L116 M118L116-K120 WeakPolarHBondContact O-CB 3.37Å; L116-K120 PolarHBondContact O-N 2.96Å; M118-K120 VanDerWaalsContact C-N 3.27Å; M118-K120 PolarHBondContact O-N 3.17Å
121Q91.5Very high93.5Very high111 Ų111104.8 Ų104.852%0.51951%0.51SS..Hα-helixtrans-85.1-23.3-179.7-71.9178.1-10.300112.7K117 M118 T119 K123K117-Q121 WeakPolarHBondContact O-CG 3.45Å; K117-Q121 PolarHBondContact O-N 2.97Å; M118-Q121 WeakPolarHBondContact O-CB 3.39Å; M118-Q121 PolarHBondContact O-N 3.42Å; T119-Q121 PolarHBondContact O-N 3.29Å; Q121-K123 PolarHBondContact O-N 3.48Å
122I92.3Very high93.3Very high95 Ų95105.2 Ų105.249%0.48750%0.503SS..  trans-73.3122.6179.5-63.7164.9000108.8M118 T119M118-I122 WeakPolarHBondContact O-CG1 3.47Å; M118-I122 PolarHBondContact O-N 3.36Å; T119-I122 PolarHBondContact O-N 3.48Å
123K92.2Very high93.2Very high188 Ų188104.3 Ų104.382%0.81750%0.498SS*.  trans-106.3110.2171.9-66-177.3-178.9-179.30108.3Q121Q121-K123 PolarHBondContact O-N 3.48Å
124P93.1Very high93.2Very high100 Ų100107 Ų10765%0.64952%0.515SS*.  trans-70.6142.4179.828.4-33.2000110.9L126P124-L126 PolarHBondContact O-N 3.23Å
125D93.3Very high93.1Very high82 Ų82110.9 Ų110.944%0.43953%0.532SS..  trans-87.3104.2170-178.7-10.5000108.9V127 A128 Y129D125-V127 VanDerWaalsContact C-N 3.29Å; D125-V127 PolarHBondContact O-N 2.93Å; D125-V127 PolarHBondContact OD1-N 2.66Å; D125-A128 HydrophobicContact CB-CB 4.01Å; D125-A128 PolarHBondContact OD1-N 2.58Å; D125-A128 VanDerWaalsContact OD1-N 3.16Å; D125-Y129 WeakPolarHBondContact O-CB 3.3Å; D125-Y129 PolarHBondContact O-N 3.42Å
126L94.7Very high92.8Very high111 Ų111107 Ų10758%0.58152%0.52SS*.Hα-helixtrans-68.6-27.7-176.8-60.2-179.7000112.7P124 Q130P124-L126 PolarHBondContact O-N 3.23Å; L126-Q130 WeakPolarHBondContact O-CB 3.25Å; L126-Q130 VanDerWaalsContact O-CG 3.28Å; L126-Q130 WeakPolarHBondContact O-CG 3.49Å; L126-Q130 PolarHBondContact O-N 3.49Å
127V95.2Very high92.6Very high84 Ų84104.5 Ų104.551%0.50952%0.516SS..Hα-helixtrans-74.9-46-179.8178.20000109.8D125 Y129 Q130 K131D125-V127 VanDerWaalsContact C-N 3.29Å; D125-V127 PolarHBondContact O-N 2.93Å; D125-V127 PolarHBondContact OD1-N 2.66Å; V127-Y129 VanDerWaalsContact C-N 3.29Å; V127-Y129 PolarHBondContact O-N 2.96Å; V127-Q130 PolarHBondContact O-N 3.25Å; V127-K131 HydrophobicContact CG1-CD 4.5Å; V127-K131 WeakPolarHBondContact O-CG 3.35Å; V127-K131 PolarHBondContact O-N 3.42Å; V127-K131 VanDerWaalsContact O-N 3.09Å
128A92Very high92.3Very high47 Ų47106.2 Ų106.239%0.38853%0.531SS..Hα-helixtrans-59.8-43.1173.700000111.1D125 K131 E132D125-A128 HydrophobicContact CB-CB 4.01Å; D125-A128 PolarHBondContact OD1-N 2.58Å; D125-A128 VanDerWaalsContact OD1-N 3.16Å; A128-K131 PolarHBondContact O-N 3.11Å; A128-E132 PolarHBondContact O-N 3Å
129Y93.3Very high92.1Very high123 Ų123108.6 Ų108.648%0.48255%0.545SS..Hα-helixtrans-59.7-46.1176.1172.1-105.4000112.9D125 V127 E132 K133D125-Y129 WeakPolarHBondContact O-CB 3.3Å; D125-Y129 PolarHBondContact O-N 3.42Å; V127-Y129 VanDerWaalsContact C-N 3.29Å; V127-Y129 PolarHBondContact O-N 2.96Å; Y129-E132 PolarHBondContact O-N 3.29Å; Y129-K133 WeakPolarHBondContact O-CB 3.48Å; Y129-K133 PolarHBondContact O-N 3.41Å
130Q95.3Very high91.8Very high114 Ų114107.2 Ų107.253%0.53354%0.539SS..Hα-helixtrans-62.1-44.4177.7-76.8172.93.600112.1L126 V127 E132 K133 E134L126-Q130 WeakPolarHBondContact O-CB 3.25Å; L126-Q130 VanDerWaalsContact O-CG 3.28Å; L126-Q130 WeakPolarHBondContact O-CG 3.49Å; L126-Q130 PolarHBondContact O-N 3.49Å; V127-Q130 PolarHBondContact O-N 3.25Å; Q130-E132 VanDerWaalsContact C-N 3.33Å; Q130-E132 PolarHBondContact O-N 3.16Å; Q130-K133 WeakPolarHBondContact O-CB 3.43Å; Q130-K133 PolarHBondContact O-N 2.95Å; Q130-E134 WeakPolarHBondContact O-CG 3.35Å; Q130-E134 PolarHBondContact O-N 3.17Å
131K93.2Very high91.7Very high125 Ų125105 Ų10554%0.54353%0.529SS..Hα-helixtrans-61.4-39.4176.3-71.6176.1179.1178.60112.7V127 A128 K135V127-K131 HydrophobicContact CG1-CD 4.5Å; V127-K131 WeakPolarHBondContact O-CG 3.35Å; V127-K131 PolarHBondContact O-N 3.42Å; V127-K131 VanDerWaalsContact O-N 3.09Å; A128-K131 PolarHBondContact O-N 3.11Å; K131-K135 WeakPolarHBondContact O-CG 3.47Å; K131-K135 PolarHBondContact O-N 3.27Å
132E90.1Very high91.6Very high83 Ų83102.7 Ų102.739%0.38852%0.524SS..Hα-helixtrans-70.1-40.3177.1-170.3169.5-16700111.2A128 Y129 Q130 E134 K135 L136 R152A128-E132 PolarHBondContact O-N 3Å; Y129-E132 PolarHBondContact O-N 3.29Å; Q130-E132 VanDerWaalsContact C-N 3.33Å; Q130-E132 PolarHBondContact O-N 3.16Å; E132-E134 PolarHBondContact O-N 3.29Å; E132-K135 PolarHBondContact O-N 3.11Å; E132-L136 HydrophobicContact CG-CD1 4.02Å; E132-L136 PolarHBondContact O-N 2.99Å; E132-R152 IonicContact OE1-NH1 2.74Å
133K93.3Very high91.6Very high89 Ų89102.8 Ų102.839%0.38753%0.529SS..Hα-helixtrans-59.5-44.1174.3-174-177.5178.3-172.50112.2Y129 Q130 L136 G137 A140Y129-K133 WeakPolarHBondContact O-CB 3.48Å; Y129-K133 PolarHBondContact O-N 3.41Å; Q130-K133 WeakPolarHBondContact O-CB 3.43Å; Q130-K133 PolarHBondContact O-N 2.95Å; K133-L136 PolarHBondContact O-N 3.35Å; K133-G137 PolarHBondContact O-N 2.9Å; K133-A140 HydrophobicContact CG-CB 4.02Å
134E93.7Very high91.5Very high157 Ų15799 Ų9973%0.73453%0.533SS*.Hα-helixtrans-63.1-38.7176.5-74.5174-178.900112.6Q130 E132Q130-E134 WeakPolarHBondContact O-CG 3.35Å; Q130-E134 PolarHBondContact O-N 3.17Å; E132-E134 PolarHBondContact O-N 3.29Å
135K90.7Very high91.3Very high183 Ų183101 Ų10180%0.79654%0.538SS*.Hα-helixtrans-68.3-38.1177.4-72.9175.1-176.9-176.60113.2K131 E132K131-K135 WeakPolarHBondContact O-CG 3.47Å; K131-K135 PolarHBondContact O-N 3.27Å; E132-K135 PolarHBondContact O-N 3.11Å
136L89Confident91Very high58 Ų5899.4 Ų99.430%0.30453%0.532SS..Hα-helixtrans-81.8-26.8-177.7-72.2170.4000112.9E132 K133 D138 L139 A140E132-L136 HydrophobicContact CG-CD1 4.02Å; E132-L136 PolarHBondContact O-N 2.99Å; K133-L136 PolarHBondContact O-N 3.35Å; L136-D138 PolarHBondContact O-N 3.37Å; L136-L139 HydrophobicContact CB-CB 4.35Å; L136-L139 HydrophobicContact CD2-CB 4.41Å; L136-L139 WeakPolarHBondContact O-CB 3.49Å; L136-L139 PolarHBondContact O-N 2.85Å; L136-L139 VanDerWaalsContact O-N 3.11Å; L136-A140 HydrophobicContact CB-CB 4.11Å
137G88.7Confident90.4Very high39 Ų39101.7 Ų101.740%0.40254%0.543SS..G310 helixtrans58.3-123.5-177.800000111.4K133 L139 A140K133-G137 PolarHBondContact O-N 2.9Å; G137-L139 PolarHBondContact O-N 3.11Å; G137-A140 WeakPolarHBondContact O-CB 3.27Å; G137-A140 PolarHBondContact O-N 2.84Å; G137-A140 VanDerWaalsContact O-N 3.16Å
138D86.4Confident89.6Confident163 Ų163100.3 Ų100.387%0.87255%0.545SS*.G310 helixtrans-65.8-25.9179.9-63.8-23000113L136 A140L136-D138 PolarHBondContact O-N 3.37Å; D138-A140 PolarHBondContact O-N 3.28Å
139L89.3Confident89.1Confident89 Ų89101.6 Ų101.647%0.46655%0.545SS..G310 helixtrans-71-8176.6-64.5172.2000113.1L136 G137 F141 T146L136-L139 HydrophobicContact CB-CB 4.35Å; L136-L139 HydrophobicContact CD2-CB 4.41Å; L136-L139 WeakPolarHBondContact O-CB 3.49Å; L136-L139 PolarHBondContact O-N 2.85Å; L136-L139 VanDerWaalsContact O-N 3.11Å; G137-L139 PolarHBondContact O-N 3.11Å; L139-F141 PolarHBondContact O-N 3.36Å; L139-T146 HydrophobicContact CD2-CG2 3.79Å
140A88.4Confident88.6Confident28 Ų28101.8 Ų101.823%0.23156%0.559CS.*G310 helixtrans-65.9-19.1177.700000113.1K133 L136 G137 D138 P142K133-A140 HydrophobicContact CG-CB 4.02Å; L136-A140 HydrophobicContact CB-CB 4.11Å; G137-A140 WeakPolarHBondContact O-CB 3.27Å; G137-A140 PolarHBondContact O-N 2.84Å; G137-A140 VanDerWaalsContact O-N 3.16Å; D138-A140 PolarHBondContact O-N 3.28Å; A140-P142 VanDerWaalsContact C-CD 3.41Å; A140-P142 WeakPolarHBondContact O-CD 3.29Å
141F90.1Very high87.9Confident135 Ų135102.9 Ų102.959%0.59257%0.569SS**SBendtrans-119.968.5178.8-56.5-70.4000111L139L139-F141 PolarHBondContact O-N 3.36Å
142P90.2Very high87.5Confident63 Ų63102.9 Ų102.941%0.40957%0.566SS.*  trans-69.8143.1-175.731-36000111.5A140 T146 L149A140-P142 VanDerWaalsContact C-CD 3.41Å; A140-P142 WeakPolarHBondContact O-CD 3.29Å; P142-T146 HydrophobicContact CB-CG2 3.99Å; P142-L149 HydrophobicContact CB-CD2 4.47Å; P142-L149 HydrophobicContact CG-CD2 4.07Å
143T91Very high87.4Confident97 Ų97108.4 Ų108.460%0.59559%0.588SS**  trans-91.3173.1162.760.90000110.1D145 T146T143-D145 PolarHBondContact O-N 2.93Å; T143-D145 VanDerWaalsContact O-N 3.1Å; T143-T146 PolarHBondContact N-OG1 3.13Å; T143-T146 WeakPolarHBondContact O-CB 3.17Å; T143-T146 PolarHBondContact O-N 3.14Å; T143-T146 VanDerWaalsContact O-N 3.12Å; T143-T146 PolarHBondContact O-OG1 3.25Å; T143-T146 PolarHBondContact OG1-OG1 3.06Å; T143-T146 VanDerWaalsContact OG1-OG1 3.1Å
144A90.7Very high87.2Confident108 Ų108108 Ų10889%0.89359%0.591SS**THydrogen-bonded Turntrans-55.3-28.4177.500000113.5
145D89.1Confident87.1Confident143 Ų143103.3 Ų103.377%0.76558%0.578SS**THydrogen-bonded Turntrans-95.64.1-176.1-52.5-40.9000113.6T143 I147T143-D145 PolarHBondContact O-N 2.93Å; T143-D145 VanDerWaalsContact O-N 3.1Å; D145-I147 PolarHBondContact O-N 2.82Å
146T85.7Confident87.3Confident48 Ų4899.1 Ų99.129%0.29457%0.57SS.*  trans-74.4117.3-176.8-560000110.9L139 P142 T143L139-T146 HydrophobicContact CD2-CG2 3.79Å; P142-T146 HydrophobicContact CB-CG2 3.99Å; T143-T146 PolarHBondContact N-OG1 3.13Å; T143-T146 WeakPolarHBondContact O-CB 3.17Å; T143-T146 PolarHBondContact O-N 3.14Å; T143-T146 VanDerWaalsContact O-N 3.12Å; T143-T146 PolarHBondContact O-OG1 3.25Å; T143-T146 PolarHBondContact OG1-OG1 3.06Å; T143-T146 VanDerWaalsContact OG1-OG1 3.1Å
147I83.2Confident87.5Confident160 Ų160103 Ų10382%0.82159%0.587SS**  trans-91.4140.5179.1-55174.1000109.5D145D145-I147 PolarHBondContact O-N 2.82Å
148G78.5Confident87.6Confident54 Ų54103 Ų10356%0.55758%0.582SS**SBendtrans115.6-2.5171.600000116.2
149L81.7Confident88Confident74 Ų7499.1 Ų99.139%0.38757%0.565SS.*  trans-86.8-8.6178.5-166.658.8000113.9P142 D151P142-L149 HydrophobicContact CB-CD2 4.47Å; P142-L149 HydrophobicContact CG-CD2 4.07Å; L149-D151 VanDerWaalsContact C-N 3.31Å; L149-D151 PolarHBondContact O-N 3.45Å
150T81.3Confident88.4Confident127 Ų127101.3 Ų101.378%0.77957%0.572SS**THydrogen-bonded Turntrans-68.2-26.7-174510000113.9R152T150-R152 VanDerWaalsContact C-N 3.27Å; T150-R152 PolarHBondContact O-N 3.01Å
151D82.5Confident88.6Confident138 Ų138107 Ų10774%0.73859%0.588SS**THydrogen-bonded Turntrans-91.211.6-171-60.4-10.6000112.9L149 K153L149-D151 VanDerWaalsContact C-N 3.31Å; L149-D151 PolarHBondContact O-N 3.45Å; D151-K153 PolarHBondContact O-N 3.31Å
152R84.1Confident88.8Confident124 Ų124105.2 Ų105.247%0.46858%0.584SS.*  trans-63.9115.2-178.9-169.4174.473.593.421.7110.9E132 T150 D154E132-R152 IonicContact OE1-NH1 2.74Å; T150-R152 VanDerWaalsContact C-N 3.27Å; T150-R152 PolarHBondContact O-N 3.01Å; R152-D154 IonicContact CZ-OD1 3.04Å; R152-D154 IonicContact CZ-OD2 3.86Å; R152-D154 IonicContact NH1-OD1 2.71Å; R152-D154 PolarHBondContact NH1-OD1 2.81Å; R152-D154 VanDerWaalsContact NH2-CG 3.34Å; R152-D154 IonicContact NH2-OD1 2.91Å; R152-D154 PolarHBondContact NH2-OD1 3.08Å; R152-D154 IonicContact NH2-OD2 3.01Å; R152-D154 PolarHBondContact NH2-OD2 2.71Å
153K88.4Confident89.1Confident200 Ų200104.3 Ų104.387%0.8758%0.582SS**  trans-94.2111.1171.1-64.8-176.7-177.3178.70109.7D151D151-K153 PolarHBondContact O-N 3.31Å
154D89Confident89.4Confident81 Ų81106 Ų10643%0.43358%0.581SS.*  trans-67.5147.8175.1-73.4-52000111.4R152 V159R152-D154 IonicContact CZ-OD1 3.04Å; R152-D154 IonicContact CZ-OD2 3.86Å; R152-D154 IonicContact NH1-OD1 2.71Å; R152-D154 PolarHBondContact NH1-OD1 2.81Å; R152-D154 VanDerWaalsContact NH2-CG 3.34Å; R152-D154 IonicContact NH2-OD1 2.91Å; R152-D154 PolarHBondContact NH2-OD1 3.08Å; R152-D154 IonicContact NH2-OD2 3.01Å; R152-D154 PolarHBondContact NH2-OD2 2.71Å; D154-V159 HydrophobicContact CB-CG2 4.23Å
155A91.3Very high89.5Confident57 Ų57103.8 Ų103.847%0.47155%0.552SS.*  trans-62.5143.4173.800000110.7E157 A158 V159A155-E157 PolarHBondContact O-N 2.92Å; A155-A158 WeakPolarHBondContact O-CB 3.34Å; A155-A158 PolarHBondContact O-N 3.28Å; A155-V159 PolarHBondContact O-N 3.19Å
156P94.2Very high89.8Confident96 Ų96101.7 Ų101.762%0.62354%0.54SS*.Hα-helixtrans-56.3-37.4-178.822-33000112.4A158 V159 E160P156-A158 VanDerWaalsContact C-N 3.29Å; P156-A158 PolarHBondContact O-N 3.48Å; P156-V159 WeakPolarHBondContact O-CB 3.32Å; P156-V159 PolarHBondContact O-N 2.89Å; P156-V159 VanDerWaalsContact O-N 3.17Å; P156-E160 WeakPolarHBondContact O-CG 3.48Å; P156-E160 PolarHBondContact O-N 3.5Å
157E93.2Very high90.4Very high140 Ų140105 Ų10565%0.65455%0.554SS**Hα-helixtrans-60.3-34.4176.3-60.2179.6-177.800113.5A155 R161A155-E157 PolarHBondContact O-N 2.92Å; E157-R161 WeakPolarHBondContact O-CB 3.28Å; E157-R161 PolarHBondContact O-N 2.88Å
158A92.1Very high90.9Very high38 Ų38101.5 Ų101.531%0.31454%0.535SS..Hα-helixtrans-71-40.2177.700000110.8A155 P156 R161 L162A155-A158 WeakPolarHBondContact O-CB 3.34Å; A155-A158 PolarHBondContact O-N 3.28Å; P156-A158 VanDerWaalsContact C-N 3.29Å; P156-A158 PolarHBondContact O-N 3.48Å; A158-R161 PolarHBondContact O-N 3.45Å; A158-L162 PolarHBondContact O-N 2.83Å; A158-L162 VanDerWaalsContact O-N 3.08Å
159V94.8Very high91.6Very high82 Ų82101.2 Ų101.250%0.49752%0.519SS..Hα-helixtrans-63.9-43.8174.8-179.10000110.6D154 A155 P156 R161 L162 A163D154-V159 HydrophobicContact CB-CG2 4.23Å; A155-V159 PolarHBondContact O-N 3.19Å; P156-V159 WeakPolarHBondContact O-CB 3.32Å; P156-V159 PolarHBondContact O-N 2.89Å; P156-V159 VanDerWaalsContact O-N 3.17Å; V159-R161 PolarHBondContact O-N 2.85Å; V159-L162 PolarHBondContact O-N 3.16Å; V159-A163 WeakPolarHBondContact O-CB 3.47Å; V159-A163 PolarHBondContact O-N 3.44Å
160E96.1Very high92.2Very high135 Ų13599.3 Ų99.363%0.63152%0.517SS*.Hα-helixtrans-62.2-41.1176.1-74179.2-175.100112.5P156 L162 A163 K164P156-E160 WeakPolarHBondContact O-CG 3.48Å; P156-E160 PolarHBondContact O-N 3.5Å; E160-L162 VanDerWaalsContact C-N 3.33Å; E160-L162 PolarHBondContact O-N 3.13Å; E160-A163 PolarHBondContact O-N 3.35Å; E160-K164 WeakPolarHBondContact O-CB 3.5Å; E160-K164 PolarHBondContact O-N 3Å
161R93.6Very high92.8Very high148 Ų14897.8 Ų97.856%0.55851%0.508SS*.Hα-helixtrans-60.3-43.6175.4-168.5-171.9-48169.96111.6E157 A158 V159 Q165E157-R161 WeakPolarHBondContact O-CB 3.28Å; E157-R161 PolarHBondContact O-N 2.88Å; A158-R161 PolarHBondContact O-N 3.45Å; V159-R161 PolarHBondContact O-N 2.85Å; R161-Q165 PolarHBondContact O-N 2.89Å
162L94.5Very high93.3Very high96 Ų9696.2 Ų96.250%0.50349%0.494SS..Hα-helixtrans-64.4-46.2175.1176.661.9000111.2A158 V159 E160 K164 Q165 I166A158-L162 PolarHBondContact O-N 2.83Å; A158-L162 VanDerWaalsContact O-N 3.08Å; V159-L162 PolarHBondContact O-N 3.16Å; E160-L162 VanDerWaalsContact C-N 3.33Å; E160-L162 PolarHBondContact O-N 3.13Å; L162-K164 VanDerWaalsContact C-N 3.33Å; L162-K164 PolarHBondContact O-N 2.98Å; L162-Q165 WeakPolarHBondContact O-CB 3.32Å; L162-Q165 PolarHBondContact O-N 3.46Å; L162-Q165 VanDerWaalsContact O-N 3.14Å; L162-I166 HydrophobicContact CD1-CD1 4.1Å; L162-I166 HydrophobicContact CD1-CG1 4.28Å; L162-I166 HydrophobicContact CG-CD1 3.96Å; L162-I166 WeakPolarHBondContact O-CG1 3.28Å; L162-I166 PolarHBondContact O-N 2.92Å
163A96.7Very high93.6Very high44 Ų44100.5 Ų100.536%0.36451%0.51SS..Hα-helixtrans-57.9-4617800000111.4V159 E160 Q165 I166 I167V159-A163 WeakPolarHBondContact O-CB 3.47Å; V159-A163 PolarHBondContact O-N 3.44Å; E160-A163 PolarHBondContact O-N 3.35Å; A163-Q165 PolarHBondContact O-N 2.65Å; A163-I166 PolarHBondContact O-N 2.95Å; A163-I167 VanDerWaalsContact O-CG1 3.32Å; A163-I167 WeakPolarHBondContact O-CG1 3.44Å; A163-I167 PolarHBondContact O-N 2.88Å
164K96.2Very high93.8Very high132 Ų13299.8 Ų99.857%0.57451%0.507SS*.Hα-helixtrans-58-47.1174.1-175.1-179.7178.3178.80111.7E160 L162 I166 I167 E168E160-K164 WeakPolarHBondContact O-CB 3.5Å; E160-K164 PolarHBondContact O-N 3Å; L162-K164 VanDerWaalsContact C-N 3.33Å; L162-K164 PolarHBondContact O-N 2.98Å; K164-I166 VanDerWaalsContact C-N 3.32Å; K164-I166 PolarHBondContact O-N 3.36Å; K164-I167 PolarHBondContact O-N 3.23Å; K164-E168 WeakPolarHBondContact CE-OE1 3.26Å; K164-E168 WeakPolarHBondContact O-CG 3.45Å; K164-E168 PolarHBondContact O-N 2.95Å
165Q94.2Very high93.9Very high62 Ų6299.3 Ų99.329%0.2951%0.514SS..Hα-helixtrans-61-39.2177.8179177.8-21.600112.1R161 L162 A163 Q169R161-Q165 PolarHBondContact O-N 2.89Å; L162-Q165 WeakPolarHBondContact O-CB 3.32Å; L162-Q165 PolarHBondContact O-N 3.46Å; L162-Q165 VanDerWaalsContact O-N 3.14Å; A163-Q165 PolarHBondContact O-N 2.65Å; Q165-Q169 VanDerWaalsContact O-CG 3.3Å; Q165-Q169 WeakPolarHBondContact O-CG 3.31Å; Q165-Q169 PolarHBondContact O-N 3.26Å
166I95.5Very high93.9Very high99 Ų99105 Ų10551%0.50853%0.525SS..Hα-helixtrans-65.3-44.9176.3-69.1168.9000110.8L162 A163 K164 E168 Q169 G170L162-I166 HydrophobicContact CD1-CD1 4.1Å; L162-I166 HydrophobicContact CD1-CG1 4.28Å; L162-I166 HydrophobicContact CG-CD1 3.96Å; L162-I166 WeakPolarHBondContact O-CG1 3.28Å; L162-I166 PolarHBondContact O-N 2.92Å; A163-I166 PolarHBondContact O-N 2.95Å; K164-I166 VanDerWaalsContact C-N 3.32Å; K164-I166 PolarHBondContact O-N 3.36Å; I166-E168 PolarHBondContact O-N 3.28Å; I166-Q169 WeakPolarHBondContact O-CB 3.45Å; I166-Q169 PolarHBondContact O-N 2.94Å; I166-G170 PolarHBondContact O-N 3.39Å
167I96.5Very high93.7Very high118 Ų118105.3 Ų105.361%0.60553%0.529SS*.Hα-helixtrans-59.3-47.8176.5-68165000110.4A163 K164 Q169 G170 V171A163-I167 VanDerWaalsContact O-CG1 3.32Å; A163-I167 WeakPolarHBondContact O-CG1 3.44Å; A163-I167 PolarHBondContact O-N 2.88Å; K164-I167 PolarHBondContact O-N 3.23Å; I167-Q169 VanDerWaalsContact C-N 3.31Å; I167-Q169 PolarHBondContact O-N 2.86Å; I167-G170 WeakPolarHBondContact O-CA 3.26Å; I167-G170 PolarHBondContact O-N 2.91Å; I167-V171 PolarHBondContact O-N 3.47Å
168E94.5Very high93.5Very high86 Ų86109 Ų10940%0.40254%0.537SS..Hα-helixtrans-59.9-39.1176.6-73.6-179.5-164.200112.6K164 I166 G170 V171 K172K164-E168 WeakPolarHBondContact CE-OE1 3.26Å; K164-E168 WeakPolarHBondContact O-CG 3.45Å; K164-E168 PolarHBondContact O-N 2.95Å; I166-E168 PolarHBondContact O-N 3.28Å; E168-G170 VanDerWaalsContact C-N 3.34Å; E168-V171 PolarHBondContact O-N 3.24Å; E168-K172 WeakPolarHBondContact O-CG 3.45Å; E168-K172 PolarHBondContact O-N 2.92Å
169Q93.4Very high93.5Very high48 Ų48118.7 Ų118.722%0.22457%0.565CS.*Hα-helixtrans-65-38.1173.6-75-178.94400112.1M118 Q165 I166 I167 K172 R173M118-Q169 HydrophobicContact SD-CG 4.34Å; M118-Q169 PolarHBondContact SD-NE2 3.43Å; Q165-Q169 VanDerWaalsContact O-CG 3.3Å; Q165-Q169 WeakPolarHBondContact O-CG 3.31Å; Q165-Q169 PolarHBondContact O-N 3.26Å; I166-Q169 WeakPolarHBondContact O-CB 3.45Å; I166-Q169 PolarHBondContact O-N 2.94Å; I167-Q169 VanDerWaalsContact C-N 3.31Å; I167-Q169 PolarHBondContact O-N 2.86Å; Q169-K172 PolarHBondContact O-N 3.4Å; Q169-R173 WeakPolarHBondContact O-CB 3.43Å; Q169-R173 PolarHBondContact O-N 2.96Å
170G94.3Very high93.2Very high34 Ų34125.6 Ų125.635%0.35158%0.583SS.*Hα-helixtrans-59.4-44.5174.400000112.3I166 I167 E168 R173 K174I166-G170 PolarHBondContact O-N 3.39Å; I167-G170 WeakPolarHBondContact O-CA 3.26Å; I167-G170 PolarHBondContact O-N 2.91Å; E168-G170 VanDerWaalsContact C-N 3.34Å; G170-R173 PolarHBondContact O-N 3.21Å; G170-K174 WeakPolarHBondContact O-CG 3.33Å; G170-K174 PolarHBondContact O-N 3.39Å
171V94.3Very high93Very high96 Ų96125.2 Ų125.258%0.58259%0.592SS**Hα-helixtrans-62.3-48.1175177.50000111.1I167 E168 R173 K174 A175I167-V171 PolarHBondContact O-N 3.47Å; E168-V171 PolarHBondContact O-N 3.24Å; V171-R173 VanDerWaalsContact C-N 3.29Å; V171-R173 PolarHBondContact O-N 3.15Å; V171-K174 PolarHBondContact O-N 3.38Å; V171-A175 PolarHBondContact O-N 2.91Å
172K91.8Very high92.8Very high104 Ų104124.2 Ų124.245%0.45259%0.592SS.*Hα-helixtrans-60.4-37178.2-71.8169.8-174.2158.10112.4E168 Q169 A175 Y176E168-K172 WeakPolarHBondContact O-CG 3.45Å; E168-K172 PolarHBondContact O-N 2.92Å; Q169-K172 PolarHBondContact O-N 3.4Å; K172-A175 PolarHBondContact O-N 3.44Å; K172-Y176 PolarHBondContact O-N 3.31Å
173R92.1Very high92.6Very high215 Ų215124.2 Ų124.281%0.81159%0.592SS**Hα-helixtrans-65.7-41.2177.4-173.4178.6178.2-178.7-0.6111.9Q169 G170 V171 A175 Y176Q169-R173 WeakPolarHBondContact O-CB 3.43Å; Q169-R173 PolarHBondContact O-N 2.96Å; G170-R173 PolarHBondContact O-N 3.21Å; V171-R173 VanDerWaalsContact C-N 3.29Å; V171-R173 PolarHBondContact O-N 3.15Å; R173-A175 VanDerWaalsContact C-N 3.27Å; R173-A175 PolarHBondContact O-N 2.9Å; R173-Y176 VanDerWaalsContact O-CB 3.3Å; R173-Y176 WeakPolarHBondContact O-CB 3.31Å; R173-Y176 PolarHBondContact O-N 2.87Å
174K91.7Very high92.3Very high185 Ų185125.6 Ų125.680%0.80460%0.604SS**Hα-helixtrans-62.5-34.9176-70.4178.5-179.4-178.30112.2G170 V171 Y176G170-K174 WeakPolarHBondContact O-CG 3.33Å; G170-K174 PolarHBondContact O-N 3.39Å; V171-K174 PolarHBondContact O-N 3.38Å; K174-Y176 VanDerWaalsContact C-N 3.3Å; K174-Y176 PolarHBondContact O-N 3.27Å
175A91.5Very high92.1Very high70 Ų70126.5 Ų126.558%0.57962%0.615SS**THydrogen-bonded Turntrans-82.53.9178.900000114.8V171 K172 R173 S177V171-A175 PolarHBondContact O-N 2.91Å; K172-A175 PolarHBondContact O-N 3.44Å; R173-A175 VanDerWaalsContact C-N 3.27Å; R173-A175 PolarHBondContact O-N 2.9Å; A175-S177 PolarHBondContact O-N 3.19Å
176Y90.1Very high91.9Very high177 Ų177126 Ų12669%0.69462%0.621SS**THydrogen-bonded Turntrans-61.2-42.2-178.3-179.7-105.5000112.3K172 R173 K174K172-Y176 PolarHBondContact O-N 3.31Å; R173-Y176 VanDerWaalsContact O-CB 3.3Å; R173-Y176 WeakPolarHBondContact O-CB 3.31Å; R173-Y176 PolarHBondContact O-N 2.87Å; K174-Y176 VanDerWaalsContact C-N 3.3Å; K174-Y176 PolarHBondContact O-N 3.27Å
177S90.4Very high91.6Very high102 Ų102128.6 Ų128.671%0.71364%0.636SS**SBendtrans-95.2106.8172.5-171.30000109.8A175A175-S177 PolarHBondContact O-N 3.19Å
178R90.2Very high91.3Very high217 Ų217128.4 Ų128.482%0.81964%0.635SS**PPolyproline II helixtrans-77.1135.3175.363.4178.470.5-172.32.9110.1R180R178-R180 PolarHBondContact O-N 2.97Å
179R90.4Very high91.2Very high242 Ų242129.5 Ų129.591%0.91364%0.644SS**PPolyproline II helixtrans-68.5128.8169.7-68.8-169.4174.3-1520.3109.1
180R90.1Very high91.2Very high227 Ų227129.6 Ų129.686%0.85764%0.643SS**PPolyproline II helixtrans-78141.3170.3-66.4177.4178.2-98.12.2108.3R178R178-R180 PolarHBondContact O-N 2.97Å
181P90.7Very high91.1Very high127 Ų127135.8 Ų135.883%0.82567%0.666SS**PPolyproline II helixtrans-59.5143.5175.726.8-33.7000109.8
182F89.1Confident91.1Very high127 Ų127135.4 Ų135.456%0.55766%0.66SS**PPolyproline II helixtrans-78.4125.9173.2178.6-109.9000108.7A184 Y190F182-A184 HydrophobicContact CD1-CB 4.48Å; F182-A184 HydrophobicContact CE1-CB 4.08Å; F182-Y190 WeakPolarHBondContact CE2-OH 3.34Å
183D90.5Very high91.1Very high97 Ų97135.2 Ų135.252%0.51966%0.661SS.*PPolyproline II helixtrans-92.4117.2170.7-170.6-5.1000108.2D185 A186D183-D185 VanDerWaalsContact C-N 3.31Å; D183-D185 PolarHBondContact OD1-N 3.46Å; D183-D185 VanDerWaalsContact OD1-N 3.14Å; D183-A186 HydrophobicContact CB-CB 4.21Å
184A90.4Very high91.2Very high73 Ų73135.2 Ų135.260%0.60366%0.661SS**SBendtrans-79.2-18-177.800000112.7F182F182-A184 HydrophobicContact CD1-CB 4.48Å; F182-A184 HydrophobicContact CE1-CB 4.08Å
185D92.2Very high91.4Very high151 Ų151128.9 Ų128.981%0.80764%0.636SS**SBendtrans-93.7-3.9-177.2-60.9-30.4000112.3D183D183-D185 VanDerWaalsContact C-N 3.31Å; D183-D185 PolarHBondContact OD1-N 3.46Å; D183-D185 VanDerWaalsContact OD1-N 3.14Å
186A90.6Very high91.5Very high51 Ų51127.2 Ų127.242%0.42162%0.616SS.*SBendtrans-73.7138.2177.800000111.8D183 I188D183-A186 HydrophobicContact CB-CB 4.21Å; A186-I188 PolarHBondContact O-N 3.31Å
187D89.3Confident91.7Very high154 Ų154125.8 Ų125.882%0.82461%0.609SS**  trans-55.6124176.3-65.2-35.8000111.3D189D187-D189 PolarHBondContact O-N 3Å
188I90.7Very high92Very high114 Ų114127.4 Ų127.459%0.58560%0.601SS**  trans-88.2104-175.9-58.8172.4000109.2A186 Y190A186-I188 PolarHBondContact O-N 3.31Å; I188-Y190 HydrophobicContact CG2-CD1 4.05Å; I188-Y190 HydrophobicContact CG2-CD2 4.21Å; I188-Y190 HydrophobicContact CG2-CE1 3.89Å; I188-Y190 HydrophobicContact CG2-CE2 4.1Å; I188-Y190 HydrophobicContact CG2-CG 4.19Å; I188-Y190 VanDerWaalsContact CG2-O 3.31Å; I188-Y190 WeakPolarHBondContact CG2-O 3.31Å
189D91.9Very high92.2Very high109 Ų109118.4 Ų118.458%0.58357%0.569SS**  trans-94.410.5177.170.2-0.6000113.8D187 N199D187-D189 PolarHBondContact O-N 3Å; D189-N199 PolarHBondContact O-ND2 3.28Å; D189-N199 PolarHBondContact OD1-ND2 2.93Å; D189-N199 PolarHBondContact OD2-ND2 3.16Å
190Y93.1Very high92.4Very high50 Ų50111.3 Ų111.320%0.19655%0.546CS..  trans-133148.1-172.360.4-91.4000113.3F182 I188 K196F182-Y190 WeakPolarHBondContact CE2-OH 3.34Å; I188-Y190 HydrophobicContact CG2-CD1 4.05Å; I188-Y190 HydrophobicContact CG2-CD2 4.21Å; I188-Y190 HydrophobicContact CG2-CE1 3.89Å; I188-Y190 HydrophobicContact CG2-CE2 4.1Å; I188-Y190 HydrophobicContact CG2-CG 4.19Å; I188-Y190 VanDerWaalsContact CG2-O 3.31Å; I188-Y190 WeakPolarHBondContact CG2-O 3.31Å; Y190-K196 HydrophobicContact CD1-CB 3.73Å; Y190-K196 HydrophobicContact CD1-CD 4.3Å; Y190-K196 HydrophobicContact CD1-CG 3.66Å; Y190-K196 HydrophobicContact CD2-CB 3.65Å; Y190-K196 HydrophobicContact CD2-CD 4.44Å; Y190-K196 HydrophobicContact CD2-CG 4.24Å; Y190-K196 HydrophobicContact CE1-CB 4.08Å; Y190-K196 HydrophobicContact CE1-CD 3.78Å; Y190-K196 HydrophobicContact CE1-CG 3.61Å; Y190-K196 HydrophobicContact CE2-CB 3.96Å; Y190-K196 HydrophobicContact CE2-CD 3.9Å; Y190-K196 HydrophobicContact CE2-CG 4.16Å; Y190-K196 HydrophobicContact CG-CB 3.52Å; Y190-K196 HydrophobicContact CG-CG 4Å
191I92.6Very high92.7Very high164 Ų164103.6 Ų103.684%0.84152%0.521SS*.SBendtrans-93-31.3176.4-57.5172.8000111.4
192N93Very high92.9Very high87 Ų87100.4 Ų100.447%0.46550%0.497SS..SBendtrans-139.7165.2-178.169.142.6000111.9R194 N195 K196N192-R194 VanDerWaalsContact C-N 3.26Å; N192-R194 PolarHBondContact O-N 3.49Å; N192-R194 WeakPolarHBondContact OD1-CB 3.47Å; N192-R194 PolarHBondContact OD1-N 3.46Å; N192-R194 VanDerWaalsContact OD1-N 3.09Å; N192-N195 WeakPolarHBondContact O-CB 3.27Å; N192-N195 PolarHBondContact O-N 3.49Å; N192-N195 VanDerWaalsContact O-N 3.15Å; N192-N195 VanDerWaalsContact OD1-CB 3.28Å; N192-N195 WeakPolarHBondContact OD1-CB 3.44Å; N192-N195 PolarHBondContact OD1-N 2.96Å; N192-K196 PolarHBondContact O-N 2.98Å
193E92.5Very high93.2Very high100 Ų10099 Ų9947%0.46750%0.496SS..Hα-helixtrans-62.3-30.1-178.1175.462.4-165.300113.2R197E193-R197 WeakPolarHBondContact O-CG 3.28Å; E193-R197 PolarHBondContact O-N 2.93Å; E193-R197 IonicContact OE1-CZ 3.59Å; E193-R197 IonicContact OE1-NE 2.92Å; E193-R197 PolarHBondContact OE1-NE 2.94Å; E193-R197 IonicContact OE1-NH2 3.34Å; E193-R197 PolarHBondContact OE1-NH2 3.34Å
194R95.4Very high93.5Very high216 Ų216102.3 Ų102.382%0.81550%0.501SS*.Hα-helixtrans-70.3-40.2176.4-172.4179.1-179.1115.2-0.2111N192 R197 Y198N192-R194 VanDerWaalsContact C-N 3.26Å; N192-R194 PolarHBondContact O-N 3.49Å; N192-R194 WeakPolarHBondContact OD1-CB 3.47Å; N192-R194 PolarHBondContact OD1-N 3.46Å; N192-R194 VanDerWaalsContact OD1-N 3.09Å; R194-R197 PolarHBondContact O-N 2.93Å; R194-Y198 PolarHBondContact O-N 3.34Å; R194-Y198 VanDerWaalsContact O-N 3.13Å
195N95.1Very high93.8Very high52 Ų52104.5 Ų104.528%0.27850%0.498SS..Hα-helixtrans-66-44.2176.5-169.49.1000109.9N192 R197 Y198 N199N192-N195 WeakPolarHBondContact O-CB 3.27Å; N192-N195 PolarHBondContact O-N 3.49Å; N192-N195 VanDerWaalsContact O-N 3.15Å; N192-N195 VanDerWaalsContact OD1-CB 3.28Å; N192-N195 WeakPolarHBondContact OD1-CB 3.44Å; N192-N195 PolarHBondContact OD1-N 2.96Å; N195-R197 PolarHBondContact O-N 3.29Å; N195-Y198 CarbonylContact O-C 3.59Å; N195-Y198 WeakPolarHBondContact O-CA 3.4Å; N195-Y198 WeakPolarHBondContact O-CB 3.25Å; N195-Y198 PolarHBondContact O-N 2.98Å; N195-N199 PolarHBondContact O-N 3.44Å; N195-N199 PolarHBondContact OD1-OD1 2.92Å
196K93.8Very high94Very high35 Ų35103.9 Ų103.915%0.15249%0.485CS..Hα-helixtrans-50.1-53.3172.5-174.9-177.3-177.8173.30112.6Y190 N192 Y198 N199 E200Y190-K196 HydrophobicContact CD1-CB 3.73Å; Y190-K196 HydrophobicContact CD1-CD 4.3Å; Y190-K196 HydrophobicContact CD1-CG 3.66Å; Y190-K196 HydrophobicContact CD2-CB 3.65Å; Y190-K196 HydrophobicContact CD2-CD 4.44Å; Y190-K196 HydrophobicContact CD2-CG 4.24Å; Y190-K196 HydrophobicContact CE1-CB 4.08Å; Y190-K196 HydrophobicContact CE1-CD 3.78Å; Y190-K196 HydrophobicContact CE1-CG 3.61Å; Y190-K196 HydrophobicContact CE2-CB 3.96Å; Y190-K196 HydrophobicContact CE2-CD 3.9Å; Y190-K196 HydrophobicContact CE2-CG 4.16Å; Y190-K196 HydrophobicContact CG-CB 3.52Å; Y190-K196 HydrophobicContact CG-CG 4Å; N192-K196 PolarHBondContact O-N 2.98Å; K196-Y198 PolarHBondContact O-N 3.33Å; K196-N199 PolarHBondContact O-N 3.08Å; K196-E200 VanDerWaalsContact CE-OE1 3.3Å; K196-E200 WeakPolarHBondContact CE-OE1 3.48Å; K196-E200 WeakPolarHBondContact O-CG 3.34Å; K196-E200 PolarHBondContact O-N 3.31Å
197R93.9Very high94.3Very high147 Ų147102.2 Ų102.256%0.55547%0.473SS*.Hα-helixtrans-64.8-29.9-179.7-69.3-179.7-170.4-177.65.2113E193 R194 N195 L201E193-R197 WeakPolarHBondContact O-CG 3.28Å; E193-R197 PolarHBondContact O-N 2.93Å; E193-R197 IonicContact OE1-CZ 3.59Å; E193-R197 IonicContact OE1-NE 2.92Å; E193-R197 PolarHBondContact OE1-NE 2.94Å; E193-R197 IonicContact OE1-NH2 3.34Å; E193-R197 PolarHBondContact OE1-NH2 3.34Å; R194-R197 PolarHBondContact O-N 2.93Å; N195-R197 PolarHBondContact O-N 3.29Å; R197-L201 WeakPolarHBondContact O-CB 3.37Å; R197-L201 PolarHBondContact O-N 3.49Å; R197-L201 VanDerWaalsContact O-N 3.08Å
198Y96.5Very high94.6Very high135 Ų135103.2 Ų103.253%0.52947%0.47SS..Hα-helixtrans-73.1-43.9175.2-173.7-105.4000111.1R194 N195 K196 E200 L201 L202R194-Y198 PolarHBondContact O-N 3.34Å; R194-Y198 VanDerWaalsContact O-N 3.13Å; N195-Y198 CarbonylContact O-C 3.59Å; N195-Y198 WeakPolarHBondContact O-CA 3.4Å; N195-Y198 WeakPolarHBondContact O-CB 3.25Å; N195-Y198 PolarHBondContact O-N 2.98Å; K196-Y198 PolarHBondContact O-N 3.33Å; Y198-E200 PolarHBondContact O-N 3.4Å; Y198-L201 HydrophobicContact CD2-CD2 4.49Å; Y198-L201 CarbonylContact O-C 3.6Å; Y198-L201 WeakPolarHBondContact O-CA 3.42Å; Y198-L201 VanDerWaalsContact O-CB 3.29Å; Y198-L201 WeakPolarHBondContact O-CB 3.41Å; Y198-L201 PolarHBondContact O-N 3.49Å; Y198-L202 HydrophobicContact CD1-CD1 3.99Å; Y198-L202 HydrophobicContact CD1-CG 4.31Å; Y198-L202 HydrophobicContact CE1-CD1 3.63Å; Y198-L202 HydrophobicContact CE1-CD2 4.3Å; Y198-L202 HydrophobicContact CE1-CG 4.02Å; Y198-L202 WeakPolarHBondContact O-CG 3.29Å; Y198-L202 PolarHBondContact O-N 3.14Å
199N94.9Very high94.8Very high28 Ų28106.1 Ų106.115%0.1548%0.475CS..Hα-helixtrans-59.7-44.4171.7-68.6-9000111.4D189 N195 K196 L201 L202 D203D189-N199 PolarHBondContact O-ND2 3.28Å; D189-N199 PolarHBondContact OD1-ND2 2.93Å; D189-N199 PolarHBondContact OD2-ND2 3.16Å; N195-N199 PolarHBondContact O-N 3.44Å; N195-N199 PolarHBondContact OD1-OD1 2.92Å; K196-N199 PolarHBondContact O-N 3.08Å; N199-L201 PolarHBondContact O-N 2.96Å; N199-L202 PolarHBondContact O-N 2.83Å; N199-L202 VanDerWaalsContact O-N 3.11Å; N199-D203 WeakPolarHBondContact O-CB 3.43Å; N199-D203 PolarHBondContact O-N 3.47Å
200E94.2Very high94.9Very high93 Ų93103.6 Ų103.644%0.43546%0.464SS..Hα-helixtrans-61-28.7172.6-72.5174.7-176.700113K196 Y198 R204K196-E200 VanDerWaalsContact CE-OE1 3.3Å; K196-E200 WeakPolarHBondContact CE-OE1 3.48Å; K196-E200 WeakPolarHBondContact O-CG 3.34Å; K196-E200 PolarHBondContact O-N 3.31Å; Y198-E200 PolarHBondContact O-N 3.4Å; E200-R204 WeakPolarHBondContact O-CG 3.36Å; E200-R204 PolarHBondContact O-N 2.9Å; E200-R204 PolarHBondContact O-NE 3.5Å
201L96.1Very high95Very high65 Ų65103.3 Ų103.334%0.3447%0.472SS..Hα-helixtrans-73.4-45.5172.6179.168.1000110.8R197 Y198 N199 R204 H205R197-L201 WeakPolarHBondContact O-CB 3.37Å; R197-L201 PolarHBondContact O-N 3.49Å; R197-L201 VanDerWaalsContact O-N 3.08Å; Y198-L201 HydrophobicContact CD2-CD2 4.49Å; Y198-L201 CarbonylContact O-C 3.6Å; Y198-L201 WeakPolarHBondContact O-CA 3.42Å; Y198-L201 VanDerWaalsContact O-CB 3.29Å; Y198-L201 WeakPolarHBondContact O-CB 3.41Å; Y198-L201 PolarHBondContact O-N 3.49Å; N199-L201 PolarHBondContact O-N 2.96Å; L201-R204 VanDerWaalsContact CA-NH2 3.35Å; L201-R204 PolarHBondContact O-N 2.79Å; L201-H205 PolarHBondContact O-CD2 2.84Å; L201-H205 VanDerWaalsContact O-CD2 3.3Å; L201-H205 PolarHBondContact O-N 3.1Å
202L96.3Very high94.9Very high61 Ų61102.2 Ų102.232%0.31946%0.463SS..Hα-helixtrans-60.7-45.2176.7-67.5178.5000111.4Y198 N199 R204 H205 Y206Y198-L202 HydrophobicContact CD1-CD1 3.99Å; Y198-L202 HydrophobicContact CD1-CG 4.31Å; Y198-L202 HydrophobicContact CE1-CD1 3.63Å; Y198-L202 HydrophobicContact CE1-CD2 4.3Å; Y198-L202 HydrophobicContact CE1-CG 4.02Å; Y198-L202 WeakPolarHBondContact O-CG 3.29Å; Y198-L202 PolarHBondContact O-N 3.14Å; N199-L202 PolarHBondContact O-N 2.83Å; N199-L202 VanDerWaalsContact O-N 3.11Å; L202-R204 VanDerWaalsContact C-N 3.33Å; L202-R204 PolarHBondContact O-N 3.42Å; L202-H205 PolarHBondContact O-N 3.41Å; L202-Y206 HydrophobicContact CB-CD2 4.37Å; L202-Y206 HydrophobicContact CD2-CD2 3.87Å; L202-Y206 HydrophobicContact CD2-CE2 3.77Å; L202-Y206 WeakPolarHBondContact O-CB 3.45Å; L202-Y206 WeakPolarHBondContact O-CD2 3.41Å; L202-Y206 PolarHBondContact O-N 2.86Å
203D95.1Very high94.9Very high98 Ų98103 Ų10352%0.52447%0.466SS..Hα-helixtrans-61-40.5178.9-171.856.5000111.9N199 H205 G207N199-D203 WeakPolarHBondContact O-CB 3.43Å; N199-D203 PolarHBondContact O-N 3.47Å; D203-H205 VanDerWaalsContact C-N 3.32Å; D203-H205 PolarHBondContact O-N 2.92Å; D203-G207 VanDerWaalsContact O-CA 3.25Å; D203-G207 WeakPolarHBondContact O-CA 3.35Å; D203-G207 PolarHBondContact O-N 3.43Å
204R95.7Very high94.9Very high166 Ų166103.8 Ų103.863%0.62647%0.468SS*.Hα-helixtrans-60.9-35.6175.5-81180-77.8132.1-9.7114E200 L201 L202E200-R204 WeakPolarHBondContact O-CG 3.36Å; E200-R204 PolarHBondContact O-N 2.9Å; E200-R204 PolarHBondContact O-NE 3.5Å; L201-R204 VanDerWaalsContact CA-NH2 3.35Å; L201-R204 PolarHBondContact O-N 2.79Å; L202-R204 VanDerWaalsContact C-N 3.33Å; L202-R204 PolarHBondContact O-N 3.42Å
205H96.8Very high94.7Very high118 Ų11897.7 Ų97.755%0.54645%0.449SS..Hα-helixtrans-93.9-40.9-176.9-75.7-77.9000113.2L201 L202 D203L201-H205 PolarHBondContact O-CD2 2.84Å; L201-H205 VanDerWaalsContact O-CD2 3.3Å; L201-H205 PolarHBondContact O-N 3.1Å; L202-H205 PolarHBondContact O-N 3.41Å; D203-H205 VanDerWaalsContact C-N 3.32Å; D203-H205 PolarHBondContact O-N 2.92Å
206Y97.4Very high94.6Very high138 Ų13896.5 Ų96.554%0.54144%0.443SS..Hα-helixtrans-107.8-21.3-171.3-59.9-70.1000113.8L202 K208 Y209 T210L202-Y206 HydrophobicContact CB-CD2 4.37Å; L202-Y206 HydrophobicContact CD2-CD2 3.87Å; L202-Y206 HydrophobicContact CD2-CE2 3.77Å; L202-Y206 WeakPolarHBondContact O-CB 3.45Å; L202-Y206 WeakPolarHBondContact O-CD2 3.41Å; L202-Y206 PolarHBondContact O-N 2.86Å; Y206-K208 PolarHBondContact O-N 3.48Å; Y206-K208 VanDerWaalsContact O-N 3.08Å; Y206-Y209 CarbonylContact O-C 3.56Å; Y206-Y209 WeakPolarHBondContact O-CA 3.43Å; Y206-Y209 PolarHBondContact O-N 3.31Å; Y206-T210 PolarHBondContact O-N 3.36Å; Y206-T210 PolarHBondContact O-OG1 2.96Å; Y206-T210 VanDerWaalsContact O-OG1 3.12Å
207G95.4Very high94.5Very high16 Ų16100.2 Ų100.217%0.16546%0.464CS..THydrogen-bonded Turntrans-55.7-32.6-17600000113.6D203 Y209 A211D203-G207 VanDerWaalsContact O-CA 3.25Å; D203-G207 WeakPolarHBondContact O-CA 3.35Å; D203-G207 PolarHBondContact O-N 3.43Å; G207-Y209 VanDerWaalsContact C-N 3.33Å; G207-Y209 PolarHBondContact O-N 2.89Å; G207-A211 PolarHBondContact O-N 3.45Å
208K95.8Very high94.3Very high176 Ų17699.4 Ų99.477%0.76547%0.466SS*.THydrogen-bonded Turntrans-61.9-38.2172.4-176.2-178.8176.8-174.20112.8Y206Y206-K208 PolarHBondContact O-N 3.48Å; Y206-K208 VanDerWaalsContact O-N 3.08Å
209Y96.5Very high94Very high174 Ų174100.2 Ų100.268%0.68247%0.468SS*.THydrogen-bonded Turntrans-90.6-26.5-175.8-55.1-72.3000112.6Y206 G207Y206-Y209 CarbonylContact O-C 3.56Å; Y206-Y209 WeakPolarHBondContact O-CA 3.43Å; Y206-Y209 PolarHBondContact O-N 3.31Å; G207-Y209 VanDerWaalsContact C-N 3.33Å; G207-Y209 PolarHBondContact O-N 2.89Å
210T94.2Very high93.7Very high56 Ų56101.4 Ų101.434%0.34449%0.487SS..SBendtrans-98.310.3-17960.60000113.3Y206 E212 I213 K214Y206-T210 PolarHBondContact O-N 3.36Å; Y206-T210 PolarHBondContact O-OG1 2.96Å; Y206-T210 VanDerWaalsContact O-OG1 3.12Å; T210-E212 VanDerWaalsContact C-N 3.3Å; T210-E212 PolarHBondContact O-N 3.31Å; T210-I213 PolarHBondContact O-N 3.48Å; T210-K214 PolarHBondContact O-N 3.24Å
211A93.2Very high93.3Very high44 Ų44102 Ų10236%0.36450%0.498SS..Hα-helixtrans-58.4-40.6-178.100000112.6G207 K214 Q215G207-A211 PolarHBondContact O-N 3.45Å; A211-K214 PolarHBondContact O-N 2.96Å; A211-Q215 WeakPolarHBondContact O-CG 3.34Å; A211-Q215 PolarHBondContact O-N 3.45Å
212E92.4Very high92Very high141 Ų141101.8 Ų101.866%0.65951%0.505SS*.Hα-helixtrans-66.1-44.1177-174.1177-176.700111.9T210 K214 Q215 N216T210-E212 VanDerWaalsContact C-N 3.3Å; T210-E212 PolarHBondContact O-N 3.31Å; E212-K214 VanDerWaalsContact C-N 3.3Å; E212-K214 PolarHBondContact O-N 3.07Å; E212-Q215 PolarHBondContact O-N 2.93Å; E212-N216 VanDerWaalsContact O-CG 3.27Å; E212-N216 PolarHBondContact O-N 3.37Å; E212-N216 PolarHBondContact O-OD1 2.92Å
213I92.4Very high90.5Very high104 Ų104109 Ų10953%0.53354%0.542SS..Hα-helixtrans-60.2-43.3176.4-59175000110.2T210 N216 L217T210-I213 PolarHBondContact O-N 3.48Å; I213-N216 PolarHBondContact O-N 2.88Å; I213-L217 HydrophobicContact CG2-CD1 4.38Å; I213-L217 WeakPolarHBondContact O-CG 3.25Å; I213-L217 PolarHBondContact O-N 3.37Å
214K92.1Very high90.2Very high116 Ų116109.6 Ų109.650%0.50454%0.543SS..Hα-helixtrans-61.2-45.8177-173.8174.6179.8175.30111.7T210 A211 E212 N216 L217 E218T210-K214 PolarHBondContact O-N 3.24Å; A211-K214 PolarHBondContact O-N 2.96Å; E212-K214 VanDerWaalsContact C-N 3.3Å; E212-K214 PolarHBondContact O-N 3.07Å; K214-N216 VanDerWaalsContact C-N 3.33Å; K214-N216 PolarHBondContact O-N 3.17Å; K214-L217 PolarHBondContact O-N 2.99Å; K214-E218 WeakPolarHBondContact CE-OE1 3.36Å; K214-E218 WeakPolarHBondContact CG-OE1 3.46Å; K214-E218 WeakPolarHBondContact O-CG 3.44Å; K214-E218 PolarHBondContact O-N 2.87Å
215Q92.2Very high89.9Confident88 Ų88106.6 Ų106.641%0.41154%0.538SS..Hα-helixtrans-62.4-38.9175.9-71.4177.116.400112.6A211 E212 L217 E218 R219A211-Q215 WeakPolarHBondContact O-CG 3.34Å; A211-Q215 PolarHBondContact O-N 3.45Å; E212-Q215 PolarHBondContact O-N 2.93Å; Q215-L217 VanDerWaalsContact C-N 3.34Å; Q215-E218 PolarHBondContact O-N 3.32Å; Q215-R219 WeakPolarHBondContact O-CB 3.29Å; Q215-R219 VanDerWaalsContact O-CG 3.26Å; Q215-R219 WeakPolarHBondContact O-CG 3.24Å; Q215-R219 PolarHBondContact O-N 3.38Å
216N92.5Very high89.6Confident28 Ų28106 Ų10615%0.1554%0.538CS..Hα-helixtrans-65.9-38.7177.5-67.4-9.1000111.2E212 I213 K214 R219 G220 T221E212-N216 VanDerWaalsContact O-CG 3.27Å; E212-N216 PolarHBondContact O-N 3.37Å; E212-N216 PolarHBondContact O-OD1 2.92Å; I213-N216 PolarHBondContact O-N 2.88Å; K214-N216 VanDerWaalsContact C-N 3.33Å; K214-N216 PolarHBondContact O-N 3.17Å; N216-R219 PolarHBondContact O-N 2.92Å; N216-R219 PolarHBondContact OD1-NH1 2.96Å; N216-G220 PolarHBondContact O-N 3.19Å; N216-T221 VanDerWaalsContact O-CA 3.27Å; N216-T221 WeakPolarHBondContact O-CA 3.41Å; N216-T221 PolarHBondContact O-N 3.22Å
217L91.6Very high89.1Confident113 Ų113104.1 Ų104.159%0.59254%0.538SS*.Hα-helixtrans-62.6-45.3172.8-69.3170.8000111.8I213 K214 Q215 R219 G220 T221I213-L217 HydrophobicContact CG2-CD1 4.38Å; I213-L217 WeakPolarHBondContact O-CG 3.25Å; I213-L217 PolarHBondContact O-N 3.37Å; K214-L217 PolarHBondContact O-N 2.99Å; Q215-L217 VanDerWaalsContact C-N 3.34Å; L217-R219 VanDerWaalsContact C-N 3.26Å; L217-R219 PolarHBondContact O-N 3.3Å; L217-G220 PolarHBondContact O-N 3.26Å; L217-T221 HydrophobicContact CD2-CG2 3.92Å
218E89.3Confident88.7Confident130 Ų130109.6 Ų109.661%0.60756%0.561SS**Hα-helixtrans-64.3-28.6177.1-70.2169.1-171.300112.6K214 Q215 G220K214-E218 WeakPolarHBondContact CE-OE1 3.36Å; K214-E218 WeakPolarHBondContact CG-OE1 3.46Å; K214-E218 WeakPolarHBondContact O-CG 3.44Å; K214-E218 PolarHBondContact O-N 2.87Å; Q215-E218 PolarHBondContact O-N 3.32Å; E218-G220 VanDerWaalsContact C-N 3.29Å; E218-G220 PolarHBondContact O-N 3.01Å
219R90.9Very high88.2Confident151 Ų151105.2 Ų105.257%0.5755%0.547SS*.THydrogen-bonded Turntrans-83.54.7173.6-68.2175.8-165.8129.16.3114.1Q215 N216 L217Q215-R219 WeakPolarHBondContact O-CB 3.29Å; Q215-R219 VanDerWaalsContact O-CG 3.26Å; Q215-R219 WeakPolarHBondContact O-CG 3.24Å; Q215-R219 PolarHBondContact O-N 3.38Å; N216-R219 PolarHBondContact O-N 2.92Å; N216-R219 PolarHBondContact OD1-NH1 2.96Å; L217-R219 VanDerWaalsContact C-N 3.26Å; L217-R219 PolarHBondContact O-N 3.3Å
220G88.5Confident87.7Confident54 Ų54100.3 Ų100.356%0.55754%0.538SS*.THydrogen-bonded Turntrans82.237.118000000113.9N216 L217 E218 A222N216-G220 PolarHBondContact O-N 3.19Å; L217-G220 PolarHBondContact O-N 3.26Å; E218-G220 VanDerWaalsContact C-N 3.29Å; E218-G220 PolarHBondContact O-N 3.01Å; G220-A222 PolarHBondContact O-N 3.21Å; G220-A222 VanDerWaalsContact O-N 3.13Å
221T84.4Confident87.2Confident106 Ų106103.7 Ų103.765%0.6555%0.552SS**SBendtrans62.910.9178.160.10000116.1N216 L217 I223N216-T221 VanDerWaalsContact O-CA 3.27Å; N216-T221 WeakPolarHBondContact O-CA 3.41Å; N216-T221 PolarHBondContact O-N 3.22Å; L217-T221 HydrophobicContact CD2-CG2 3.92Å; T221-I223 PolarHBondContact O-N 3.32Å
222A70.1Confident86.7Confident59 Ų59108.7 Ų108.749%0.48857%0.568SS.*  trans-71.8120.2169.800000109.3G220G220-A222 PolarHBondContact O-N 3.21Å; G220-A222 VanDerWaalsContact O-N 3.13Å
223I63.4Low86.1Confident214 Ų214105.7 Ų105.7100%1.09756%0.56SS**  trans-77.70167.2-63.4174000108.4T221T221-I223 PolarHBondContact O-N 3.32Å

Retrieved 223 of 223 residues in 188 ms (Link to these results)