A0A077YZK8_TRITR Loading...

7 transmembrane receptor

AlphaFold DB , UniProt , Accession A0A077YZK8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 379 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
1M31.4Very low32.8Very low248 Ų248173.3 Ų173.3100%1.22286%0.858SS**  0107.90-90174.1155.300107.7R3M1-R3 PolarHBondContact O-N 3.47Å
2S31.2Very low35.5Very low121 Ų121168.4 Ų168.485%0.84684%0.844SS**  trans-68.7114.6-165.439.50000113.1
3R26.4Very low38.5Very low247 Ų247156.4 Ų156.493%0.93279%0.786SS**  trans-10185.5156.4-88-172.4-175.2171.61.9107.9M1M1-R3 PolarHBondContact O-N 3.47Å
4Q27Very low40.7Very low180 Ų180151.1 Ų151.184%0.84177%0.771SS**  trans-166.5136.6162.6-112.3163.7-13.500106.4
5E28.9Very low42.7Very low191 Ų191147.9 Ų147.989%0.89375%0.752SS**  trans98.854-172.6-57178.1172.400115.7
6V28.1Very low44.6Very low128 Ų128146.7 Ų146.778%0.77674%0.739SS**  trans-102.291.7136.4-172.10000105.6I8V6-I8 HydrophobicContact CG1-CD1 4.27Å; V6-I8 HydrophobicContact CG1-CG1 3.63Å; V6-I8 PolarHBondContact O-N 3.17Å
7A28.3Very low46.2Very low95 Ų95140.9 Ų140.979%0.78571%0.711SS**  trans-67.779.4166.300000108.2Y9A7-Y9 PolarHBondContact O-N 3.13Å
8I35.3Very low47.5Very low133 Ų133139.9 Ų139.968%0.68271%0.708SS**  trans-70.9111.6158.3-55.8-175.7000103.8V6 E10V6-I8 HydrophobicContact CG1-CD1 4.27Å; V6-I8 HydrophobicContact CG1-CG1 3.63Å; V6-I8 PolarHBondContact O-N 3.17Å; I8-E10 PolarHBondContact O-N 3.32Å
9Y31.4Very low48.4Very low228 Ų228138.8 Ų138.889%0.89470%0.704SS**  trans-50.695.9166.1-106.6-102000107.7A7 Q11A7-Y9 PolarHBondContact O-N 3.13Å; Y9-Q11 VanDerWaalsContact C-N 3.25Å; Y9-Q11 PolarHBondContact O-N 3.11Å
10E40.9Very low49.1Very low179 Ų179132.6 Ų132.684%0.83667%0.673SS**  trans-71.290.8172.3-122.7176.8-176.500105.8I8 V12I8-E10 PolarHBondContact O-N 3.32Å; E10-V12 VanDerWaalsContact C-N 3.31Å; E10-V12 PolarHBondContact O-N 3.35Å
11Q51.9Low49.5Very low156 Ų156128.4 Ų128.473%0.72966%0.656SS**  trans-68.395.7175.9-162.2171.8-4.800107Y9 C13Y9-Q11 VanDerWaalsContact C-N 3.25Å; Y9-Q11 PolarHBondContact O-N 3.11Å; Q11-C13 PolarHBondContact O-N 3.45Å
12V64.7Low50.6Low115 Ų115122.8 Ų122.870%0.69763%0.631SS**  trans-53123.6-178.8179.60000109.3E10 S14E10-V12 VanDerWaalsContact C-N 3.31Å; E10-V12 PolarHBondContact O-N 3.35Å; V12-S14 PolarHBondContact O-N 3.38Å
13C75.1Confident51.2Low12 Ų12123.5 Ų123.58%0.08162%0.621CS.*  trans-60.2134.2175.7-66.10000110.4Q11 Q15 C177 E179Q11-C13 PolarHBondContact O-N 3.45Å; C13-Q15 PolarHBondContact O-N 3.29Å; C13-C177 WeakPolarHBondContact CA-SG 3.41Å; C13-C177 HydrophobicContact CB-CB 4.13Å; C13-C177 WeakPolarHBondContact CB-O 3.35Å; C13-C177 WeakPolarHBondContact CB-SG 3.43Å; C13-C177 WeakPolarHBondContact SG-CB 3.39Å; C13-C177 CovalentContact SG-SG 2.04Å; C13-C177 PolarHBondContact SG-SG 3.36Å; C13-E179 HydrophobicContact CB-CB 4.12Å
14S68.6Low52.1Low82 Ų82118.7 Ų118.757%0.57360%0.603SS**SBendtrans-67.1-19.1-176.750.60000113.4V12V12-S14 PolarHBondContact O-N 3.38Å
15Q70.9Confident53Low104 Ų104116 Ų11649%0.48659%0.586SS.*EExtended strand (participates in β ladder)trans-128.3130.2175.7-103.1178.5-10.100111.7C13 I178 E179C13-Q15 PolarHBondContact O-N 3.29Å; Q15-I178 HydrophobicContact CB-CG1 3.97Å; Q15-I178 HydrophobicContact CB-CG2 4.47Å; Q15-E179 PolarHBondContact O-N 3.19Å
16K73.7Confident53.5Low128 Ų128113.4 Ų113.456%0.55758%0.577SS**EExtended strand (participates in β ladder)trans-116128.2169-68-168.4179-135.20109.7E179K16-E179 CarbonylContact C-O 3.56Å; K16-E179 VanDerWaalsContact CA-O 3.27Å; K16-E179 WeakPolarHBondContact CA-O 3.39Å; K16-E179 WeakPolarHBondContact CE-OE2 3.44Å; K16-E179 HydrophobicContact CG-CB 4.26Å; K16-E179 VanDerWaalsContact NZ-CD 3.29Å; K16-E179 IonicContact NZ-OE1 3.44Å; K16-E179 PolarHBondContact NZ-OE1 3.14Å; K16-E179 VanDerWaalsContact NZ-OE1 3.08Å; K16-E179 IonicContact NZ-OE2 2.93Å; K16-E179 PolarHBondContact NZ-OE2 3.48Å
17L72.1Confident54.6Low49 Ų49113.7 Ų113.726%0.25758%0.579SS.*EExtended strand (participates in β ladder)trans-124.8127.6177.1-74.1119.6000111.5V20 I178 E179 F180 T181L17-V20 HydrophobicContact CB-CG2 3.53Å; L17-V20 HydrophobicContact CD2-CG2 4.27Å; L17-V20 HydrophobicContact CG-CG2 4.47Å; L17-I178 HydrophobicContact CD1-CG2 3.56Å; L17-E179 PolarHBondContact N-O 3.03Å; L17-F180 HydrophobicContact CB-CB 3.99Å; L17-F180 CarbonylContact O-C 3.58Å; L17-F180 WeakPolarHBondContact O-CA 3.23Å; L17-F180 VanDerWaalsContact O-CB 3.31Å; L17-F180 WeakPolarHBondContact O-CB 3.47Å; L17-T181 PolarHBondContact O-N 3.41Å
18D69.2Low56.3Low123 Ų123111 Ų11166%0.65856%0.561SS**EExtended strand (participates in β ladder)trans-104.2146.3177-66.7-40.8000112.1V20 T181D18-V20 PolarHBondContact O-N 3.48Å; D18-T181 PolarHBondContact OD1-OG1 3.28Å; D18-T181 VanDerWaalsContact OD1-OG1 3.11Å
19N63.8Low58.2Low119 Ų119107.9 Ų107.964%0.63655%0.545SS*.EExtended strand (participates in β ladder)trans52.546.7179.4-74.9-16.4000113.6S21 T181N19-S21 PolarHBondContact O-N 3.3Å; N19-T181 PolarHBondContact N-O 3.5Å
20V63.1Low60.7Low14 Ų14101.4 Ų101.49%0.08553%0.529CS..EExtended strand (participates in β ladder)trans-71.3114.2174.6-175.40000108.6L17 D18 R24 F180 T181L17-V20 HydrophobicContact CB-CG2 3.53Å; L17-V20 HydrophobicContact CD2-CG2 4.27Å; L17-V20 HydrophobicContact CG-CG2 4.47Å; D18-V20 PolarHBondContact O-N 3.48Å; V20-R24 HydrophobicContact CG1-CB 4.46Å; V20-F180 HydrophobicContact CB-CD2 4.4Å; V20-F180 HydrophobicContact CG2-CB 4.03Å; V20-F180 HydrophobicContact CG2-CD2 4.5Å; V20-T181 PolarHBondContact N-O 3.03Å
21S58.4Low62.7Low44 Ų4499.5 Ų99.531%0.30852%0.522SS..  trans-74.4143.1170.957.60000110.5N19 E23 R24N19-S21 PolarHBondContact O-N 3.3Å; S21-E23 PolarHBondContact O-N 3.09Å; S21-R24 PolarHBondContact O-N 3.14Å
22D53Low64.4Low131 Ų13199.1 Ų99.170%0.70152%0.52SS*.G310 helixtrans-52.7-26.2170.9-83.8-29.9000111.7R24 Y25D22-R24 PolarHBondContact O-N 2.99Å; D22-Y25 WeakPolarHBondContact O-CB 3.31Å; D22-Y25 PolarHBondContact O-N 3.5Å
23E43.8Very low65.6Low136 Ų13695.2 Ų95.264%0.63650%0.5SS*.G310 helixtrans-61.4-21.2176.5-68.7-167.1160.900114.9S21 Y25 L26 V27S21-E23 PolarHBondContact O-N 3.09Å; E23-Y25 PolarHBondContact O-N 3.33Å; E23-L26 HydrophobicContact CG-CD1 4.16Å; E23-L26 WeakPolarHBondContact O-CA 3.31Å; E23-L26 VanDerWaalsContact O-CB 3.31Å; E23-L26 WeakPolarHBondContact O-CB 3.36Å; E23-L26 PolarHBondContact O-N 3.45Å; E23-V27 PolarHBondContact O-N 2.93Å
24R45.5Very low66.2Low145 Ų14596.2 Ų96.255%0.54750%0.503SS..G310 helixtrans-66.3-20.7174.5-155176.6-66.3-173.32.7112.2V20 S21 D22V20-R24 HydrophobicContact CG1-CB 4.46Å; S21-R24 PolarHBondContact O-N 3.14Å; D22-R24 PolarHBondContact O-N 2.99Å
25Y46.2Very low67.4Low124 Ų12496.5 Ų96.549%0.48649%0.494SS..G310 helixtrans-81.2-18169.2-62.4-78.1000113.3D22 E23 W190D22-Y25 WeakPolarHBondContact O-CB 3.31Å; D22-Y25 PolarHBondContact O-N 3.5Å; E23-Y25 PolarHBondContact O-N 3.33Å; Y25-W190 AromaticContact CE1-CH2 3.8Å; Y25-W190 HydrophobicContact CE1-CH2 3.8Å; Y25-W190 AromaticContact CE1-CZ3 3.76Å; Y25-W190 HydrophobicContact CE1-CZ3 3.76Å; Y25-W190 HydrophobicContact CE2-CH2 4.26Å; Y25-W190 AromaticContact CZ-CH2 3.4Å; Y25-W190 VanDerWaalsContact CZ-CH2 3.4Å; Y25-W190 AromaticContact CZ-CZ3 3.63Å; Y25-W190 WeakPolarHBondContact OH-CH2 3.44Å; Y25-W190 WeakPolarHBondContact OH-CZ3 3.38Å
26L40.2Very low68.5Low136 Ų13697.1 Ų97.171%0.71250%0.495SS*.THydrogen-bonded Turntrans-80.3-18179.1-90.8147.9000113.3E23 G28E23-L26 HydrophobicContact CG-CD1 4.16Å; E23-L26 WeakPolarHBondContact O-CA 3.31Å; E23-L26 VanDerWaalsContact O-CB 3.31Å; E23-L26 WeakPolarHBondContact O-CB 3.36Å; E23-L26 PolarHBondContact O-N 3.45Å; L26-G28 PolarHBondContact O-N 3.47Å; L26-G28 VanDerWaalsContact O-N 3.09Å
27V50.7Low69.4Low134 Ų13491.5 Ų91.581%0.81247%0.473SS*.SBendtrans-80.328.6168.8-160.90000111.2E23E23-V27 PolarHBondContact O-N 2.93Å
28G63.8Low70.4Confident39 Ų3989.4 Ų89.440%0.40246%0.461SS..SBendtrans-93.7163.6170.600000111.1L26 T30L26-G28 PolarHBondContact O-N 3.47Å; L26-G28 VanDerWaalsContact O-N 3.09Å; G28-T30 PolarHBondContact O-N 2.74Å
29L74.5Confident71.6Confident68 Ų6885 Ų8536%0.35644%0.439SS..PPolyproline II helixtrans-48.9142.6167.7-105.668.8000110.9A33 K34 A37 L336L29-A33 HydrophobicContact CB-CB 4.11Å; L29-A33 HydrophobicContact CD2-CB 3.67Å; L29-A33 HydrophobicContact CG-CB 3.82Å; L29-K34 HydrophobicContact CB-CG 3.75Å; L29-K34 WeakPolarHBondContact O-CE 3.42Å; L29-A37 HydrophobicContact CD2-CB 4.45Å; L29-L336 HydrophobicContact CD1-CD2 3.43Å; L29-L336 VanDerWaalsContact CD1-CD2 3.43Å; L29-L336 HydrophobicContact CD2-CD2 4.18Å; L29-L336 HydrophobicContact CG-CD2 4.46Å
30T83.9Confident73.2Confident92 Ų9281.8 Ų81.856%0.56442%0.422SS*.PPolyproline II helixtrans-55.3151.5171.264.10000110.3G28 E32 A33 K34G28-T30 PolarHBondContact O-N 2.74Å; T30-E32 PolarHBondContact O-N 3.07Å; T30-A33 WeakPolarHBondContact O-CB 3.47Å; T30-A33 PolarHBondContact O-N 3.29Å; T30-A33 WeakPolarHBondContact OG1-CB 3.47Å; T30-A33 PolarHBondContact OG1-N 3.47Å; T30-K34 PolarHBondContact O-N 3.47Å
31M82.7Confident74.8Confident138 Ų13881.1 Ų81.168%0.6842%0.418SS*.Hα-helixtrans-56.9-34.8179.6-68.8-57.7-67.700112.5K34 F35 L94M31-K34 PolarHBondContact O-N 2.99Å; M31-K34 HydrophobicContact SD-CD 4.45Å; M31-F35 PolarHBondContact O-N 2.69Å; M31-L94 HydrophobicContact CE-CD2 4.3Å
32E88.2Confident76.6Confident149 Ų14979.6 Ų79.670%0.69641%0.407SS*.Hα-helixtrans-62.8-49.1173.2-62.1-177.6177.500111.5T30 K34 F35 F36T30-E32 PolarHBondContact O-N 3.07Å; E32-K34 VanDerWaalsContact C-N 3.31Å; E32-K34 PolarHBondContact O-N 3.2Å; E32-F35 WeakPolarHBondContact O-CB 3.42Å; E32-F35 PolarHBondContact O-N 3.01Å; E32-F35 VanDerWaalsContact O-N 3.14Å; E32-F36 WeakPolarHBondContact O-CD2 3.44Å; E32-F36 PolarHBondContact O-N 3.4Å; E32-F36 VanDerWaalsContact O-N 3.14Å
33A89.4Confident78.7Confident32 Ų3277.2 Ų77.226%0.26439%0.393SS..Hα-helixtrans-61.5-40.7178.100000111.4L29 T30 F35 F36 A37L29-A33 HydrophobicContact CB-CB 4.11Å; L29-A33 HydrophobicContact CD2-CB 3.67Å; L29-A33 HydrophobicContact CG-CB 3.82Å; T30-A33 WeakPolarHBondContact O-CB 3.47Å; T30-A33 PolarHBondContact O-N 3.29Å; T30-A33 WeakPolarHBondContact OG1-CB 3.47Å; T30-A33 PolarHBondContact OG1-N 3.47Å; A33-F35 VanDerWaalsContact C-N 3.33Å; A33-F35 PolarHBondContact O-N 2.94Å; A33-F36 PolarHBondContact O-N 3.33Å; A33-A37 WeakPolarHBondContact O-CB 3.49Å; A33-A37 PolarHBondContact O-N 3.48Å
34K88.9Confident81.2Confident34 Ų3472.5 Ų72.515%0.14837%0.373CS..Hα-helixtrans-61.6-39.6174.7-68.8-168.2176.6-167.50112.3L29 T30 M31 E32 A37 F38 E92 L94L29-K34 HydrophobicContact CB-CG 3.75Å; L29-K34 WeakPolarHBondContact O-CE 3.42Å; T30-K34 PolarHBondContact O-N 3.47Å; M31-K34 PolarHBondContact O-N 2.99Å; M31-K34 HydrophobicContact SD-CD 4.45Å; E32-K34 VanDerWaalsContact C-N 3.31Å; E32-K34 PolarHBondContact O-N 3.2Å; K34-A37 PolarHBondContact O-N 3.44Å; K34-F38 HydrophobicContact CB-CD2 4.34Å; K34-F38 WeakPolarHBondContact O-CB 3.18Å; K34-F38 WeakPolarHBondContact O-CD2 3.32Å; K34-F38 PolarHBondContact O-N 2.92Å; K34-E92 PolarHBondContact NZ-O 3.49Å; K34-L94 HydrophobicContact CB-CD1 4.28Å; K34-L94 HydrophobicContact CB-CD2 4.04Å; K34-L94 HydrophobicContact CB-CG 4.47Å; K34-L94 HydrophobicContact CD-CD2 4.24Å; K34-L94 HydrophobicContact CD-CG 4.4Å
35F92.4Very high83.7Confident88 Ų8865.6 Ų65.639%0.38635%0.347SS..Iπ-helixtrans-60.6-50.1176.4176.2-93000111.7M31 E32 A33 V39 L40M31-F35 PolarHBondContact O-N 2.69Å; E32-F35 WeakPolarHBondContact O-CB 3.42Å; E32-F35 PolarHBondContact O-N 3.01Å; E32-F35 VanDerWaalsContact O-N 3.14Å; A33-F35 VanDerWaalsContact C-N 3.33Å; A33-F35 PolarHBondContact O-N 2.94Å; F35-V39 HydrophobicContact CD2-CB 3.65Å; F35-V39 HydrophobicContact CD2-CG1 3.73Å; F35-V39 HydrophobicContact CD2-CG2 4.16Å; F35-V39 HydrophobicContact CE2-CB 4Å; F35-V39 HydrophobicContact CE2-CG1 3.62Å; F35-V39 HydrophobicContact CG-CB 4.29Å; F35-V39 WeakPolarHBondContact O-CA 3.43Å; F35-V39 WeakPolarHBondContact O-CB 3.3Å; F35-V39 PolarHBondContact O-N 3.01Å; F35-L40 HydrophobicContact CE1-CB 4.29Å; F35-L40 PolarHBondContact O-N 3.36Å
36F94.2Very high86.2Confident117 Ų11762.3 Ų62.351%0.51334%0.338SS..Iπ-helixtrans-66.6-38.2178.9-70.4-72000112.2E32 A33 L40 P41 Y344E32-F36 WeakPolarHBondContact O-CD2 3.44Å; E32-F36 PolarHBondContact O-N 3.4Å; E32-F36 VanDerWaalsContact O-N 3.14Å; A33-F36 PolarHBondContact O-N 3.33Å; F36-L40 HydrophobicContact CD1-CD2 3.77Å; F36-L40 HydrophobicContact CE1-CD2 4.3Å; F36-P41 WeakPolarHBondContact O-CD 3.37Å; F36-Y344 PolarHBondContact O-OH 3.06Å
37A93Very high88.9Confident10 Ų1061.2 Ų61.28%0.08333%0.332CS..Iπ-helixtrans-72.8-37.8-177.500000113.8L29 A33 K34 P41 V340L29-A37 HydrophobicContact CD2-CB 4.45Å; A33-A37 WeakPolarHBondContact O-CB 3.49Å; A33-A37 PolarHBondContact O-N 3.48Å; K34-A37 PolarHBondContact O-N 3.44Å; A37-P41 WeakPolarHBondContact O-CG 3.37Å; A37-V340 HydrophobicContact CB-CG1 4.42Å; A37-V340 HydrophobicContact CB-CG2 3.65Å
38F93.5Very high91Very high4 Ų456.4 Ų56.42%0.01830%0.302CS..Iπ-helixtrans-123.4-36.4-168-58.5-74.3000114.3K34 V42 N88 M89 E92 L94 L336 V340 L343K34-F38 HydrophobicContact CB-CD2 4.34Å; K34-F38 WeakPolarHBondContact O-CB 3.18Å; K34-F38 WeakPolarHBondContact O-CD2 3.32Å; K34-F38 PolarHBondContact O-N 2.92Å; F38-V42 WeakPolarHBondContact O-CG2 3.38Å; F38-N88 HydrophobicContact CD1-CB 4.34Å; F38-M89 HydrophobicContact CB-CG 3.93Å; F38-E92 HydrophobicContact CD1-CG 4.12Å; F38-E92 HydrophobicContact CD2-CB 4.42Å; F38-E92 HydrophobicContact CD2-CG 4.18Å; F38-E92 HydrophobicContact CE1-CG 3.68Å; F38-E92 HydrophobicContact CE2-CB 4.31Å; F38-E92 HydrophobicContact CE2-CG 3.73Å; F38-E92 HydrophobicContact CG-CG 4.37Å; F38-E92 HydrophobicContact CZ-CB 4.49Å; F38-E92 HydrophobicContact CZ-CG 3.46Å; F38-E92 VanDerWaalsContact CZ-CG 3.46Å; F38-L94 HydrophobicContact CB-CD1 3.62Å; F38-L94 HydrophobicContact CD2-CD1 4.17Å; F38-L94 HydrophobicContact CG-CD1 4.19Å; F38-L336 HydrophobicContact CE2-CD1 4.43Å; F38-L336 HydrophobicContact CZ-CD1 3.65Å; F38-V340 HydrophobicContact CE1-CG2 4.45Å; F38-V340 HydrophobicContact CZ-CG2 4.42Å; F38-L343 HydrophobicContact CD1-CD1 3.45Å; F38-L343 VanDerWaalsContact CD1-CD1 3.45Å; F38-L343 HydrophobicContact CE1-CD1 3.95Å; F38-L343 HydrophobicContact CG-CD1 4.47Å
39V94.9Very high92.5Very high32 Ų3254.6 Ų54.619%0.19428%0.283CS..Iπ-helixtrans-86-47.9-174.7-177.50000111.5F35 P41 V42 I43 M89 L94F35-V39 HydrophobicContact CD2-CB 3.65Å; F35-V39 HydrophobicContact CD2-CG1 3.73Å; F35-V39 HydrophobicContact CD2-CG2 4.16Å; F35-V39 HydrophobicContact CE2-CB 4Å; F35-V39 HydrophobicContact CE2-CG1 3.62Å; F35-V39 HydrophobicContact CG-CB 4.29Å; F35-V39 WeakPolarHBondContact O-CA 3.43Å; F35-V39 WeakPolarHBondContact O-CB 3.3Å; F35-V39 PolarHBondContact O-N 3.01Å; V39-P41 VanDerWaalsContact C-CD 3.47Å; V39-V42 PolarHBondContact O-N 2.69Å; V39-I43 HydrophobicContact CG1-CD1 3.71Å; V39-I43 HydrophobicContact CG1-CG1 4.33Å; V39-I43 WeakPolarHBondContact O-CG1 3.46Å; V39-I43 PolarHBondContact O-N 3.33Å; V39-M89 HydrophobicContact CG2-SD 4.06Å; V39-L94 HydrophobicContact CG2-CD1 4Å
40L96.1Very high93.5Very high50 Ų5054.9 Ų54.926%0.26229%0.287SS..Hα-helixtrans-59.5-42.8-178.9-175.764.2000113.8F35 F36 V42 I43 T44F35-L40 HydrophobicContact CE1-CB 4.29Å; F35-L40 PolarHBondContact O-N 3.36Å; F36-L40 HydrophobicContact CD1-CD2 3.77Å; F36-L40 HydrophobicContact CE1-CD2 4.3Å; L40-V42 VanDerWaalsContact C-N 3.31Å; L40-V42 PolarHBondContact O-N 2.98Å; L40-I43 PolarHBondContact O-N 3.47Å; L40-T44 HydrophobicContact CD1-CG2 3.8Å; L40-T44 HydrophobicContact CG-CG2 4.27Å; L40-T44 WeakPolarHBondContact O-CB 3.43Å; L40-T44 WeakPolarHBondContact O-CG2 3.31Å; L40-T44 PolarHBondContact O-N 3.27Å; L40-T44 PolarHBondContact O-OG1 3.15Å
41P96.5Very high93.9Very high1 Ų153.8 Ų53.81%0.00628%0.277CS..Hα-helixtrans-62.7-38.3177.4-16.327.9000112.2F36 A37 V39 T44 G45 L343 Y344 T347F36-P41 WeakPolarHBondContact O-CD 3.37Å; A37-P41 WeakPolarHBondContact O-CG 3.37Å; V39-P41 VanDerWaalsContact C-CD 3.47Å; P41-T44 PolarHBondContact O-OG1 2.91Å; P41-G45 WeakPolarHBondContact O-CA 3.38Å; P41-G45 PolarHBondContact O-N 2.98Å; P41-L343 HydrophobicContact CB-CB 3.96Å; P41-L343 VanDerWaalsContact CB-O 3.29Å; P41-L343 WeakPolarHBondContact CB-O 3.37Å; P41-L343 HydrophobicContact CG-CB 4.2Å; P41-Y344 HydrophobicContact CB-CD1 4.17Å; P41-Y344 HydrophobicContact CB-CD2 4.24Å; P41-Y344 HydrophobicContact CB-CE1 4.32Å; P41-Y344 HydrophobicContact CB-CE2 4.42Å; P41-Y344 HydrophobicContact CB-CG 4.14Å; P41-Y344 HydrophobicContact CG-CD1 4.25Å; P41-Y344 HydrophobicContact CG-CD2 3.72Å; P41-Y344 HydrophobicContact CG-CE1 4.05Å; P41-Y344 HydrophobicContact CG-CE2 3.53Å; P41-Y344 HydrophobicContact CG-CG 4.1Å; P41-T347 PolarHBondContact O-OG1 3.21Å
42V96.5Very high94.2Very high12 Ų1247.5 Ų47.57%0.07325%0.246CC..Hα-helixtrans-66.8-49.6179.5176.50000110.7F38 V39 L40 G45 I46 M89F38-V42 WeakPolarHBondContact O-CG2 3.38Å; V39-V42 PolarHBondContact O-N 2.69Å; L40-V42 VanDerWaalsContact C-N 3.31Å; L40-V42 PolarHBondContact O-N 2.98Å; V42-G45 PolarHBondContact O-N 3.25Å; V42-I46 HydrophobicContact CG1-CD1 3.74Å; V42-I46 WeakPolarHBondContact O-CB 3.38Å; V42-I46 VanDerWaalsContact O-CG1 3.22Å; V42-I46 WeakPolarHBondContact O-CG1 3.22Å; V42-I46 PolarHBondContact O-N 2.95Å; V42-M89 HydrophobicContact CB-CE 4.35Å; V42-M89 HydrophobicContact CG1-CE 4.05Å; V42-M89 HydrophobicContact CG2-CE 4.12Å; V42-M89 HydrophobicContact CG2-SD 4.42Å
43I97.2Very high94.3Very high80 Ų8041.5 Ų41.541%0.4122%0.219SC..Hα-helixtrans-60.7-51.6178.7-66.4174.8000110.3V39 L40 I46 L47V39-I43 HydrophobicContact CG1-CD1 3.71Å; V39-I43 HydrophobicContact CG1-CG1 4.33Å; V39-I43 WeakPolarHBondContact O-CG1 3.46Å; V39-I43 PolarHBondContact O-N 3.33Å; L40-I43 PolarHBondContact O-N 3.47Å; I43-I46 PolarHBondContact O-N 2.99Å; I43-L47 HydrophobicContact CG2-CD1 3.7Å; I43-L47 HydrophobicContact CG2-CG 4.37Å; I43-L47 WeakPolarHBondContact O-CB 3.48Å; I43-L47 VanDerWaalsContact O-CG 3.23Å; I43-L47 WeakPolarHBondContact O-CG 3.4Å; I43-L47 PolarHBondContact O-N 3.01Å
44T97.4Very high94.3Very high37 Ų3742.1 Ų42.123%0.22722%0.224CC..Hα-helixtrans-66.8-39.8-177.454.30000112.2L40 P41 L47 L48 T347L40-T44 HydrophobicContact CD1-CG2 3.8Å; L40-T44 HydrophobicContact CG-CG2 4.27Å; L40-T44 WeakPolarHBondContact O-CB 3.43Å; L40-T44 WeakPolarHBondContact O-CG2 3.31Å; L40-T44 PolarHBondContact O-N 3.27Å; L40-T44 PolarHBondContact O-OG1 3.15Å; P41-T44 PolarHBondContact O-OG1 2.91Å; T44-L47 PolarHBondContact O-N 2.89Å; T44-L48 WeakPolarHBondContact O-CB 3.4Å; T44-L48 VanDerWaalsContact O-CG 3.27Å; T44-L48 WeakPolarHBondContact O-CG 3.42Å; T44-L48 PolarHBondContact O-N 3.29Å; T44-T347 WeakPolarHBondContact OG1-CG2 3.26Å; T44-T347 PolarHBondContact OG1-OG1 2.96Å
45G97.5Very high94Very high0 Ų040.6 Ų40.60%022%0.217CC..Hα-helixtrans-62.9-44.9177.800000111.8P41 V42 N49 T347P41-G45 WeakPolarHBondContact O-CA 3.38Å; P41-G45 PolarHBondContact O-N 2.98Å; V42-G45 PolarHBondContact O-N 3.25Å; G45-N49 WeakPolarHBondContact O-CB 3.32Å; G45-N49 PolarHBondContact O-N 3.45Å; G45-N49 PolarHBondContact O-ND2 3.01Å; G45-T347 VanDerWaalsContact CA-OG1 3.32Å; G45-T347 WeakPolarHBondContact CA-OG1 3.16Å; G45-T347 PolarHBondContact N-OG1 3.48Å
46I97.9Very high93.6Very high55 Ų5536.6 Ų36.628%0.28220%0.2SC..Hα-helixtrans-64.2-53.4175.7-69.3169.9000110.5V42 I43 L48 N49 V50 L78 A81 A82V42-I46 HydrophobicContact CG1-CD1 3.74Å; V42-I46 WeakPolarHBondContact O-CB 3.38Å; V42-I46 VanDerWaalsContact O-CG1 3.22Å; V42-I46 WeakPolarHBondContact O-CG1 3.22Å; V42-I46 PolarHBondContact O-N 2.95Å; I43-I46 PolarHBondContact O-N 2.99Å; I46-L48 PolarHBondContact O-N 3.09Å; I46-N49 PolarHBondContact O-N 2.79Å; I46-V50 HydrophobicContact CG2-CG2 4.19Å; I46-V50 WeakPolarHBondContact O-CB 3.31Å; I46-V50 VanDerWaalsContact O-CG2 3.25Å; I46-V50 WeakPolarHBondContact O-CG2 3.41Å; I46-V50 PolarHBondContact O-N 3.5Å; I46-L78 HydrophobicContact CB-CD1 4.13Å; I46-L78 HydrophobicContact CG1-CD1 4.04Å; I46-L78 HydrophobicContact CG2-CD1 3.98Å; I46-A81 HydrophobicContact CG1-CB 4.23Å; I46-A82 HydrophobicContact CD1-CB 4.43Å
47L96.9Very high93.1Very high114 Ų11436 Ų3660%0.59720%0.202SC*.Hα-helixtrans-60.2-45.5-174.6-71.9174.9000112.5I43 T44 L51I43-L47 HydrophobicContact CG2-CD1 3.7Å; I43-L47 HydrophobicContact CG2-CG 4.37Å; I43-L47 WeakPolarHBondContact O-CB 3.48Å; I43-L47 VanDerWaalsContact O-CG 3.23Å; I43-L47 WeakPolarHBondContact O-CG 3.4Å; I43-L47 PolarHBondContact O-N 3.01Å; T44-L47 PolarHBondContact O-N 2.89Å; L47-L51 WeakPolarHBondContact O-CB 3.48Å; L47-L51 PolarHBondContact O-N 3.03Å
48L95.6Very high92.5Very high33 Ų3340.2 Ų40.217%0.17323%0.23CC..Hα-helixtrans-68.8-41.5-178.7-68.9173.6000112.1T44 I46 L51 I52 T347 A350 L351 L354T44-L48 WeakPolarHBondContact O-CB 3.4Å; T44-L48 VanDerWaalsContact O-CG 3.27Å; T44-L48 WeakPolarHBondContact O-CG 3.42Å; T44-L48 PolarHBondContact O-N 3.29Å; I46-L48 PolarHBondContact O-N 3.09Å; L48-L51 WeakPolarHBondContact O-CB 3.48Å; L48-L51 PolarHBondContact O-N 3.04Å; L48-I52 WeakPolarHBondContact O-CG1 3.49Å; L48-I52 PolarHBondContact O-N 3.02Å; L48-T347 HydrophobicContact CD1-CG2 3.87Å; L48-A350 HydrophobicContact CB-CB 3.69Å; L48-A350 HydrophobicContact CD1-CB 4.23Å; L48-L351 HydrophobicContact CD1-CD2 3.8Å; L48-L351 HydrophobicContact CD1-CG 3.77Å; L48-L351 HydrophobicContact CD2-CD2 4.3Å; L48-L354 HydrophobicContact CD2-CD1 4.07Å
49N95.3Very high91.5Very high1 Ų140.8 Ų40.81%0.00523%0.234CC..Hα-helixtrans-73.8-35.6-179.2-75.9-68.1000112.5G45 I46 L51 I52 L53 D77 L78 P346G45-N49 WeakPolarHBondContact O-CB 3.32Å; G45-N49 PolarHBondContact O-N 3.45Å; G45-N49 PolarHBondContact O-ND2 3.01Å; I46-N49 PolarHBondContact O-N 2.79Å; N49-L51 VanDerWaalsContact C-N 3.32Å; N49-L51 PolarHBondContact O-N 3.1Å; N49-I52 PolarHBondContact O-N 3.06Å; N49-L53 WeakPolarHBondContact O-CB 3.45Å; N49-L53 PolarHBondContact O-N 3.49Å; N49-D77 WeakPolarHBondContact OD1-CB 3.48Å; N49-L78 HydrophobicContact CB-CB 3.99Å; N49-P346 PolarHBondContact ND2-O 3.23Å
50V95.4Very high90Very high73 Ų7349.7 Ų49.744%0.44226%0.264SS..Hα-helixtrans-60.6-42.9169.3169.90000110.7I46 L53 A54 L78I46-V50 HydrophobicContact CG2-CG2 4.19Å; I46-V50 WeakPolarHBondContact O-CB 3.31Å; I46-V50 VanDerWaalsContact O-CG2 3.25Å; I46-V50 WeakPolarHBondContact O-CG2 3.41Å; I46-V50 PolarHBondContact O-N 3.5Å; V50-L53 PolarHBondContact O-N 3.34Å; V50-A54 WeakPolarHBondContact O-CB 3.38Å; V50-A54 PolarHBondContact O-N 3.01Å; V50-L78 HydrophobicContact CG2-CD1 3.88Å; V50-L78 HydrophobicContact CG2-CD2 4.14Å
51L91.7Very high88.4Confident70 Ų7050.1 Ų50.137%0.36628%0.275SS..Hα-helixtrans-60.7-46.6175.8175.462.4000111.5L47 L48 N49 A54 I55L47-L51 WeakPolarHBondContact O-CB 3.48Å; L47-L51 PolarHBondContact O-N 3.03Å; L48-L51 WeakPolarHBondContact O-CB 3.48Å; L48-L51 PolarHBondContact O-N 3.04Å; N49-L51 VanDerWaalsContact C-N 3.32Å; N49-L51 PolarHBondContact O-N 3.1Å; L51-A54 PolarHBondContact O-N 3.21Å; L51-I55 HydrophobicContact CD1-CD1 3.9Å; L51-I55 HydrophobicContact CD1-CG1 4.25Å; L51-I55 HydrophobicContact CG-CD1 3.81Å; L51-I55 VanDerWaalsContact O-CD1 3.25Å; L51-I55 WeakPolarHBondContact O-CD1 3.37Å; L51-I55 WeakPolarHBondContact O-CG1 3.3Å; L51-I55 PolarHBondContact O-N 3.45Å
52I89.6Confident86.7Confident5 Ų551.1 Ų51.13%0.02628%0.279CS..Hα-helixtrans-60.3-48.3177.4-68.9166.6000110.6L48 N49 A54 I55 V56 A74 A350 F353 L354L48-I52 WeakPolarHBondContact O-CG1 3.49Å; L48-I52 PolarHBondContact O-N 3.02Å; N49-I52 PolarHBondContact O-N 3.06Å; I52-A54 PolarHBondContact O-N 3.34Å; I52-I55 PolarHBondContact O-N 3.18Å; I52-V56 HydrophobicContact CG2-CG2 4.28Å; I52-V56 VanDerWaalsContact O-CG2 3.29Å; I52-V56 WeakPolarHBondContact O-CG2 3.31Å; I52-V56 PolarHBondContact O-N 3.36Å; I52-A74 HydrophobicContact CB-CB 4.26Å; I52-A74 HydrophobicContact CG2-CB 3.71Å; I52-A350 HydrophobicContact CD1-CB 3.59Å; I52-F353 HydrophobicContact CD1-CD1 3.89Å; I52-F353 HydrophobicContact CG1-CD1 4.14Å; I52-F353 HydrophobicContact CG2-CD1 4.12Å; I52-F353 HydrophobicContact CG2-CE1 4.02Å; I52-L354 HydrophobicContact CD1-CG 4.32Å; I52-L354 HydrophobicContact CG1-CD2 4.1Å; I52-L354 HydrophobicContact CG1-CG 4.3Å
53L90.8Very high85Confident24 Ų2456 Ų5613%0.12630%0.301CS..Hα-helixtrans-55.7-49.5175.7-86.9155.5000111.6N49 V50 I55 V56 L57 A74 F75 L78N49-L53 WeakPolarHBondContact O-CB 3.45Å; N49-L53 PolarHBondContact O-N 3.49Å; V50-L53 PolarHBondContact O-N 3.34Å; L53-I55 VanDerWaalsContact C-N 3.32Å; L53-I55 PolarHBondContact O-N 3.4Å; L53-V56 PolarHBondContact O-N 3.17Å; L53-L57 HydrophobicContact CD2-CD1 4.48Å; L53-L57 WeakPolarHBondContact O-CB 3.26Å; L53-L57 VanDerWaalsContact O-CG 3.24Å; L53-L57 WeakPolarHBondContact O-CG 3.17Å; L53-L57 PolarHBondContact O-N 3.48Å; L53-A74 HydrophobicContact CD1-CB 4.43Å; L53-A74 HydrophobicContact CG-CB 3.91Å; L53-F75 HydrophobicContact CD1-CB 4.37Å; L53-F75 HydrophobicContact CD1-CD2 4.22Å; L53-F75 HydrophobicContact CD2-CB 4.32Å; L53-L78 HydrophobicContact CD1-CD2 3.86Å
54A88.6Confident83.3Confident45 Ų4559.1 Ų59.137%0.37231%0.312SS..Hα-helixtrans-58.9-42.617800000111.8V50 L51 I52 C58V50-A54 WeakPolarHBondContact O-CB 3.38Å; V50-A54 PolarHBondContact O-N 3.01Å; L51-A54 PolarHBondContact O-N 3.21Å; I52-A54 PolarHBondContact O-N 3.34Å; A54-C58 WeakPolarHBondContact O-CB 3.49Å; A54-C58 PolarHBondContact O-N 3.14Å; A54-C58 PolarHBondContact O-SG 3.41Å
55I83.8Confident81.5Confident1 Ų162.5 Ų62.51%0.00532%0.323CS..Hα-helixtrans-63.1-48.9177.8-66.5154000110.8L51 I52 L53 L57 C59 F62 V360 C364 L367L51-I55 HydrophobicContact CD1-CD1 3.9Å; L51-I55 HydrophobicContact CD1-CG1 4.25Å; L51-I55 HydrophobicContact CG-CD1 3.81Å; L51-I55 VanDerWaalsContact O-CD1 3.25Å; L51-I55 WeakPolarHBondContact O-CD1 3.37Å; L51-I55 WeakPolarHBondContact O-CG1 3.3Å; L51-I55 PolarHBondContact O-N 3.45Å; I52-I55 PolarHBondContact O-N 3.18Å; L53-I55 VanDerWaalsContact C-N 3.32Å; L53-I55 PolarHBondContact O-N 3.4Å; I55-L57 VanDerWaalsContact C-N 3.35Å; I55-L57 PolarHBondContact O-N 3.02Å; I55-C59 WeakPolarHBondContact O-CB 3.37Å; I55-C59 PolarHBondContact O-N 2.9Å; I55-C59 VanDerWaalsContact O-N 3.09Å; I55-C59 PolarHBondContact O-SG 3.38Å; I55-C59 VanDerWaalsContact O-SG 3.39Å; I55-F62 HydrophobicContact CG2-CE2 4.13Å; I55-V360 HydrophobicContact CD1-CG1 4.31Å; I55-V360 HydrophobicContact CG2-CG1 4.18Å; I55-C364 WeakPolarHBondContact CD1-SG 3.29Å; I55-L367 HydrophobicContact CG1-CD1 3.96Å
56V82.9Confident79.8Confident4 Ų467.4 Ų67.42%0.02435%0.346CS..Hα-helixtrans-65.6-40.9-176.1179.80000110.7I52 L53 F62 H67 L70 C71I52-V56 HydrophobicContact CG2-CG2 4.28Å; I52-V56 VanDerWaalsContact O-CG2 3.29Å; I52-V56 WeakPolarHBondContact O-CG2 3.31Å; I52-V56 PolarHBondContact O-N 3.36Å; L53-V56 PolarHBondContact O-N 3.17Å; V56-F62 HydrophobicContact CG1-CB 4.07Å; V56-H67 HydrophobicContact CG1-CB 4.25Å; V56-L70 HydrophobicContact CG1-CD2 4.5Å; V56-L70 HydrophobicContact CG2-CD2 3.54Å; V56-L70 HydrophobicContact CG2-CG 4.04Å; V56-C71 WeakPolarHBondContact CG1-SG 3.42Å
57L83.2Confident78.9Confident104 Ų10466.1 Ų66.155%0.54534%0.339SS..Hα-helixtrans-74.9-40.4-179.4-65.4174.8000113.2L53 I55 H63L53-L57 HydrophobicContact CD2-CD1 4.48Å; L53-L57 WeakPolarHBondContact O-CB 3.26Å; L53-L57 VanDerWaalsContact O-CG 3.24Å; L53-L57 WeakPolarHBondContact O-CG 3.17Å; L53-L57 PolarHBondContact O-N 3.48Å; I55-L57 VanDerWaalsContact C-N 3.35Å; I55-L57 PolarHBondContact O-N 3.02Å; L57-H63 PolarHBondContact O-NE2 2.97Å
58C81.4Confident78.4Confident99 Ų9963 Ų6367%0.66932%0.323SS*.Hα-helixtrans-82.6-23.3-175.9-63.40000113.6A54A54-C58 WeakPolarHBondContact O-CB 3.49Å; A54-C58 PolarHBondContact O-N 3.14Å; A54-C58 PolarHBondContact O-SG 3.41Å
59C72Confident78.1Confident17 Ų1761.7 Ų61.712%0.11532%0.316CS..  trans-93.7111.6-175.4-730000111.9I55 A61 F62 K363I55-C59 WeakPolarHBondContact O-CB 3.37Å; I55-C59 PolarHBondContact O-N 2.9Å; I55-C59 VanDerWaalsContact O-N 3.09Å; I55-C59 PolarHBondContact O-SG 3.38Å; I55-C59 VanDerWaalsContact O-SG 3.39Å; C59-A61 PolarHBondContact O-N 3.18Å; C59-F62 HydrophobicContact CB-CD2 3.64Å; C59-F62 HydrophobicContact CB-CE2 4.23Å; C59-F62 PolarHBondContact O-N 3.37Å; C59-K363 HydrophobicContact CB-CD 4.36Å
60R63.2Low77.7Confident219 Ų21962.7 Ų62.783%0.82632%0.321SS*.G310 helixtrans-47.8-34.1176.3-90.3-173.2178.4148-0.3115.6F62 H63R60-F62 PolarHBondContact O-N 2.92Å; R60-F62 VanDerWaalsContact O-N 3.13Å; R60-H63 WeakPolarHBondContact O-CB 3.31Å; R60-H63 PolarHBondContact O-N 3.09Å
61A63.5Low77.5Confident58 Ų5860.6 Ų60.648%0.47931%0.309SS..G310 helixtrans-65.9-16.2178.900000113.6C59C59-A61 PolarHBondContact O-N 3.18Å
62F60.5Low77.6Confident23 Ų2357.8 Ų57.810%0.10129%0.294CS..G310 helixtrans-98.85.4174-62.2-75.9000113.1I55 V56 C59 R60 F64 H67 V360 K363I55-F62 HydrophobicContact CG2-CE2 4.13Å; V56-F62 HydrophobicContact CG1-CB 4.07Å; C59-F62 HydrophobicContact CB-CD2 3.64Å; C59-F62 HydrophobicContact CB-CE2 4.23Å; C59-F62 PolarHBondContact O-N 3.37Å; R60-F62 PolarHBondContact O-N 2.92Å; R60-F62 VanDerWaalsContact O-N 3.13Å; F62-F64 PolarHBondContact O-N 3.19Å; F62-H67 WeakPolarHBondContact CA-CD2 3.26Å; F62-H67 HydrophobicContact CB-CB 4.5Å; F62-H67 AromaticContact CD1-CE1 3.47Å; F62-H67 VanDerWaalsContact CD1-CE1 3.47Å; F62-H67 WeakPolarHBondContact CD1-CE1 3.42Å; F62-H67 AromaticContact CD1-ND1 3.62Å; F62-H67 AromaticContact CD1-NE2 3.77Å; F62-H67 VanDerWaalsContact O-CB 3.24Å; F62-H67 WeakPolarHBondContact O-CB 3.31Å; F62-H67 PolarHBondContact O-CD2 3.03Å; F62-V360 HydrophobicContact CE1-CG2 3.86Å; F62-V360 HydrophobicContact CE2-CG2 4.37Å; F62-V360 HydrophobicContact CZ-CB 4.38Å; F62-V360 HydrophobicContact CZ-CG2 3.45Å; F62-V360 VanDerWaalsContact CZ-CG2 3.45Å; F62-K363 HydrophobicContact CD2-CD 4.5Å; F62-K363 HydrophobicContact CE2-CD 3.69Å; F62-K363 HydrophobicContact CZ-CD 4.44Å
63H61.2Low77.7Confident114 Ų11459.3 Ų59.353%0.52830%0.302SS..  trans-77.32.6176.4-82.6-127.9000113.8L57 R60L57-H63 PolarHBondContact O-NE2 2.97Å; R60-H63 WeakPolarHBondContact O-CB 3.31Å; R60-H63 PolarHBondContact O-N 3.09Å
64F61.2Low77.9Confident146 Ų14658.3 Ų58.364%0.6430%0.297SS*.SBendtrans-78.9151.4176.4-86.6-88.7000112.7F62 Q66 H67F62-F64 PolarHBondContact O-N 3.19Å; F64-Q66 HydrophobicContact CB-CG 4.34Å; F64-Q66 PolarHBondContact O-N 3.08Å; F64-H67 PolarHBondContact O-CD2 3.35Å; F64-H67 VanDerWaalsContact O-CD2 3.31Å; F64-H67 PolarHBondContact O-N 3.39Å
65K59.9Low78.3Confident107 Ų10760.3 Ų60.347%0.46530%0.298SS..G310 helixtrans-45.1-34-174.6-52.9-175.5177.5-1780114.2H67 R148K65-H67 PolarHBondContact O-N 3.45Å; K65-H67 VanDerWaalsContact O-N 3.12Å; K65-R148 HydrophobicContact CB-CB 4.47Å; K65-R148 HydrophobicContact CD-CB 4.16Å; K65-R148 HydrophobicContact CG-CB 4.02Å
66Q62.3Low78.9Confident104 Ų10460.2 Ų60.249%0.48630%0.297SS..G310 helixtrans-68.2-0.9-178.369.6-169.2-14.900116.1F64F64-Q66 HydrophobicContact CB-CG 4.34Å; F64-Q66 PolarHBondContact O-N 3.08Å
67H78.2Confident79.6Confident28 Ų2860.1 Ų60.113%0.1330%0.296CS..G310 helixtrans-109.8-2.9-176.3-59-61000114.9V56 F62 F64 K65 F69 L70 C71V56-H67 HydrophobicContact CG1-CB 4.25Å; F62-H67 WeakPolarHBondContact CA-CD2 3.26Å; F62-H67 HydrophobicContact CB-CB 4.5Å; F62-H67 AromaticContact CD1-CE1 3.47Å; F62-H67 VanDerWaalsContact CD1-CE1 3.47Å; F62-H67 WeakPolarHBondContact CD1-CE1 3.42Å; F62-H67 AromaticContact CD1-ND1 3.62Å; F62-H67 AromaticContact CD1-NE2 3.77Å; F62-H67 VanDerWaalsContact O-CB 3.24Å; F62-H67 WeakPolarHBondContact O-CB 3.31Å; F62-H67 PolarHBondContact O-CD2 3.03Å; F64-H67 PolarHBondContact O-CD2 3.35Å; F64-H67 VanDerWaalsContact O-CD2 3.31Å; F64-H67 PolarHBondContact O-N 3.39Å; K65-H67 PolarHBondContact O-N 3.45Å; K65-H67 VanDerWaalsContact O-N 3.12Å; H67-F69 VanDerWaalsContact C-N 3.34Å; H67-F69 PolarHBondContact O-N 3.47Å; H67-L70 WeakPolarHBondContact O-CB 3.37Å; H67-L70 PolarHBondContact O-N 2.99Å; H67-L70 VanDerWaalsContact O-N 3.09Å; H67-C71 PolarHBondContact O-N 3.36Å
68L86.6Confident80.3Confident49 Ų4956.6 Ų56.626%0.25728%0.278SS..Hα-helixtrans-60-42.8176.4-75.4174.8000112.4L70 C71 N72 R148 I155L68-L70 VanDerWaalsContact C-N 3.26Å; L68-L70 PolarHBondContact O-N 2.9Å; L68-C71 PolarHBondContact O-N 3.05Å; L68-N72 WeakPolarHBondContact O-CB 3.4Å; L68-N72 PolarHBondContact O-N 3.22Å; L68-R148 HydrophobicContact CD1-CG 3.71Å; L68-I155 HydrophobicContact CB-CD1 3.91Å
69F89.2Confident81.1Confident5 Ų553.9 Ų53.92%0.02226%0.257CS..Hα-helixtrans-65-31.7175.5-72.6-82000112.6H67 N72 I73 C127 A128 E131 W146 I154 I155H67-F69 VanDerWaalsContact C-N 3.34Å; H67-F69 PolarHBondContact O-N 3.47Å; F69-N72 PolarHBondContact O-N 3Å; F69-I73 VanDerWaalsContact O-CG1 3.29Å; F69-I73 WeakPolarHBondContact O-CG1 3.2Å; F69-I73 PolarHBondContact O-N 3.48Å; F69-C127 HydrophobicContact CD1-CB 4.39Å; F69-C127 HydrophobicContact CE1-CB 3.92Å; F69-A128 HydrophobicContact CB-CB 4.24Å; F69-A128 HydrophobicContact CD1-CB 4.31Å; F69-E131 HydrophobicContact CD2-CB 4.27Å; F69-E131 HydrophobicContact CD2-CG 4.09Å; F69-E131 HydrophobicContact CE2-CB 4.45Å; F69-E131 HydrophobicContact CE2-CG 4.41Å; F69-W146 HydrophobicContact CD2-CZ2 4Å; F69-W146 HydrophobicContact CE2-CH2 4.01Å; F69-W146 AromaticContact CE2-CZ2 3.26Å; F69-W146 HydrophobicContact CE2-CZ2 3.26Å; F69-W146 HydrophobicContact CZ-CH2 4.05Å; F69-W146 AromaticContact CZ-CZ2 3.77Å; F69-W146 HydrophobicContact CZ-CZ2 3.77Å; F69-I154 HydrophobicContact CE1-CG2 4.11Å; F69-I154 HydrophobicContact CZ-CB 4.24Å; F69-I154 HydrophobicContact CZ-CG2 3.98Å; F69-I155 HydrophobicContact CD1-CD1 4.4Å; F69-I155 HydrophobicContact CD1-CG1 4.2Å; F69-I155 HydrophobicContact CE1-CD1 4.33Å; F69-I155 HydrophobicContact CE1-CG1 3.8Å; F69-I155 HydrophobicContact CZ-CD1 4.46Å; F69-I155 HydrophobicContact CZ-CG1 4.13Å
70L87.5Confident82.3Confident21 Ų2153.3 Ų53.311%0.1125%0.252CS..Hα-helixtrans-69.1-44.4175.8179.763.8000111.4V56 H67 L68 N72 I73 A74 F353V56-L70 HydrophobicContact CG1-CD2 4.5Å; V56-L70 HydrophobicContact CG2-CD2 3.54Å; V56-L70 HydrophobicContact CG2-CG 4.04Å; H67-L70 WeakPolarHBondContact O-CB 3.37Å; H67-L70 PolarHBondContact O-N 2.99Å; H67-L70 VanDerWaalsContact O-N 3.09Å; L68-L70 VanDerWaalsContact C-N 3.26Å; L68-L70 PolarHBondContact O-N 2.9Å; L70-N72 VanDerWaalsContact C-N 3.28Å; L70-N72 PolarHBondContact O-N 3.4Å; L70-I73 PolarHBondContact O-N 3.35Å; L70-A74 PolarHBondContact O-N 2.95Å; L70-F353 HydrophobicContact CD1-CD1 4.35Å; L70-F353 HydrophobicContact CD1-CD2 3.75Å; L70-F353 HydrophobicContact CD1-CE1 3.88Å; L70-F353 HydrophobicContact CD1-CE2 3.22Å; L70-F353 HydrophobicContact CD1-CG 4.3Å; L70-F353 HydrophobicContact CD1-CZ 3.32Å; L70-F353 HydrophobicContact CD2-CE1 4.11Å; L70-F353 HydrophobicContact CD2-CE2 3.95Å; L70-F353 HydrophobicContact CD2-CZ 3.35Å; L70-F353 HydrophobicContact CG-CE2 4.21Å; L70-F353 HydrophobicContact CG-CZ 3.92Å
71C89.9Confident83.9Confident29 Ų2943.1 Ų43.120%0.19622%0.215CC..Hα-helixtrans-58.1-44.7171.2-70.50000111V56 H67 L68 A74 F75V56-C71 WeakPolarHBondContact CG1-SG 3.42Å; H67-C71 PolarHBondContact O-N 3.36Å; L68-C71 PolarHBondContact O-N 3.05Å; C71-A74 PolarHBondContact O-N 3.44Å; C71-F75 WeakPolarHBondContact O-CB 3.37Å; C71-F75 PolarHBondContact O-N 3.02Å
72N93.5Very high85.5Confident11 Ų1141.6 Ų41.66%0.05920%0.203CC..Hα-helixtrans-61.6-46.6-179.8-176.671.1000111.9L68 F69 L70 F75 A76 G124 I155 W159L68-N72 WeakPolarHBondContact O-CB 3.4Å; L68-N72 PolarHBondContact O-N 3.22Å; F69-N72 PolarHBondContact O-N 3Å; L70-N72 VanDerWaalsContact C-N 3.28Å; L70-N72 PolarHBondContact O-N 3.4Å; N72-F75 PolarHBondContact O-N 3.17Å; N72-A76 VanDerWaalsContact O-CB 3.23Å; N72-A76 WeakPolarHBondContact O-CB 3.02Å; N72-A76 PolarHBondContact O-N 2.86Å; N72-G124 WeakPolarHBondContact ND2-CA 3.35Å; N72-I155 HydrophobicContact CB-CD1 4.07Å; N72-I155 HydrophobicContact CB-CG1 4.38Å; N72-I155 HydrophobicContact CB-CG2 4.48Å; N72-I155 WeakPolarHBondContact OD1-CG2 3.48Å; N72-W159 PolarHBondContact OD1-NE1 3.26Å
73I93.5Very high87.2Confident38 Ų3842.9 Ų42.920%0.19521%0.21CC..Hα-helixtrans-59-50.7176-70.4165.9000110.4F69 L70 F75 A76 D77 A128F69-I73 VanDerWaalsContact O-CG1 3.29Å; F69-I73 WeakPolarHBondContact O-CG1 3.2Å; F69-I73 PolarHBondContact O-N 3.48Å; L70-I73 PolarHBondContact O-N 3.35Å; I73-F75 VanDerWaalsContact C-N 3.29Å; I73-F75 PolarHBondContact O-N 2.76Å; I73-A76 PolarHBondContact O-N 3.33Å; I73-D77 WeakPolarHBondContact O-CB 3.38Å; I73-D77 PolarHBondContact O-N 3.35Å; I73-A128 HydrophobicContact CD1-CB 3.6Å; I73-A128 HydrophobicContact CG1-CB 4.34Å
74A94.4Very high88.9Confident2 Ų237.6 Ų37.62%0.01719%0.186CC..Hα-helixtrans-62.9-36.8-178.200000112.5I52 L53 L70 C71 L78I52-A74 HydrophobicContact CB-CB 4.26Å; I52-A74 HydrophobicContact CG2-CB 3.71Å; L53-A74 HydrophobicContact CD1-CB 4.43Å; L53-A74 HydrophobicContact CG-CB 3.91Å; L70-A74 PolarHBondContact O-N 2.95Å; C71-A74 PolarHBondContact O-N 3.44Å; A74-L78 VanDerWaalsContact O-CB 3.31Å; A74-L78 WeakPolarHBondContact O-CB 3.25Å; A74-L78 PolarHBondContact O-N 3Å
75F96.3Very high90.4Very high87 Ų8730.7 Ų30.738%0.38216%0.156SC..Hα-helixtrans-72.2-38.4175.9-170-112.9000112.6L53 C71 N72 I73 L78 L79 W159L53-F75 HydrophobicContact CD1-CB 4.37Å; L53-F75 HydrophobicContact CD1-CD2 4.22Å; L53-F75 HydrophobicContact CD2-CB 4.32Å; C71-F75 WeakPolarHBondContact O-CB 3.37Å; C71-F75 PolarHBondContact O-N 3.02Å; N72-F75 PolarHBondContact O-N 3.17Å; I73-F75 VanDerWaalsContact C-N 3.29Å; I73-F75 PolarHBondContact O-N 2.76Å; F75-L78 HydrophobicContact CD2-CD2 4.36Å; F75-L78 WeakPolarHBondContact O-CB 3.32Å; F75-L78 PolarHBondContact O-N 3.42Å; F75-L79 HydrophobicContact CD1-CD1 4.03Å; F75-L79 HydrophobicContact CD1-CG 4.47Å; F75-L79 HydrophobicContact CE1-CD1 3.68Å; F75-L79 HydrophobicContact CE1-CG 4.2Å; F75-L79 HydrophobicContact CZ-CD1 4.22Å; F75-L79 HydrophobicContact CZ-CD2 4.41Å; F75-L79 HydrophobicContact CZ-CG 4.32Å; F75-L79 WeakPolarHBondContact O-CG 3.48Å; F75-L79 PolarHBondContact O-N 3.24Å; F75-W159 AromaticContact CD1-CH2 3.78Å; F75-W159 HydrophobicContact CD1-CH2 3.78Å; F75-W159 AromaticContact CD1-CZ2 3.73Å; F75-W159 HydrophobicContact CD1-CZ2 3.73Å; F75-W159 AromaticContact CE1-CH2 3.56Å; F75-W159 HydrophobicContact CE1-CH2 3.56Å; F75-W159 AromaticContact CE1-CZ2 3.98Å; F75-W159 HydrophobicContact CE1-CZ2 3.98Å
76A97.5Very high92Very high0 Ų029.6 Ų29.60%015%0.154CC..Hα-helixtrans-67.7-42.4176.500000112.1N72 I73 L78 L79 L80 V120 M121N72-A76 VanDerWaalsContact O-CB 3.23Å; N72-A76 WeakPolarHBondContact O-CB 3.02Å; N72-A76 PolarHBondContact O-N 2.86Å; I73-A76 PolarHBondContact O-N 3.33Å; A76-L78 VanDerWaalsContact C-N 3.31Å; A76-L78 PolarHBondContact O-N 3.02Å; A76-L79 PolarHBondContact O-N 2.69Å; A76-L80 PolarHBondContact O-N 2.92Å; A76-V120 HydrophobicContact CB-CG1 3.81Å; A76-M121 HydrophobicContact CB-CB 4.16Å; A76-M121 HydrophobicContact CB-CG 4.47Å
77D97.4Very high93.4Very high1 Ų125.8 Ų25.81%0.00514%0.137CC..Hα-helixtrans-63.3-38.1174.1-74.8-3.9000110.8N49 I73 L80 A81 M121 P346 S349N49-D77 WeakPolarHBondContact OD1-CB 3.48Å; I73-D77 WeakPolarHBondContact O-CB 3.38Å; I73-D77 PolarHBondContact O-N 3.35Å; D77-L80 PolarHBondContact O-N 3.35Å; D77-A81 WeakPolarHBondContact O-CB 3.3Å; D77-A81 PolarHBondContact O-N 3.43Å; D77-M121 VanDerWaalsContact OD1-CG 3.23Å; D77-M121 WeakPolarHBondContact OD1-CG 3.02Å; D77-P346 HydrophobicContact CB-CB 4.13Å; D77-S349 WeakPolarHBondContact OD2-CB 3.31Å; D77-S349 PolarHBondContact OD2-OG 2.93Å
78L97.4Very high94Very high30 Ų3026.1 Ų26.116%0.15714%0.14CC..Hα-helixtrans-61.9-46.6172.7177.564.3000112I46 N49 V50 L53 A74 F75 A76 L80 A81 A82I46-L78 HydrophobicContact CB-CD1 4.13Å; I46-L78 HydrophobicContact CG1-CD1 4.04Å; I46-L78 HydrophobicContact CG2-CD1 3.98Å; N49-L78 HydrophobicContact CB-CB 3.99Å; V50-L78 HydrophobicContact CG2-CD1 3.88Å; V50-L78 HydrophobicContact CG2-CD2 4.14Å; L53-L78 HydrophobicContact CD1-CD2 3.86Å; A74-L78 VanDerWaalsContact O-CB 3.31Å; A74-L78 WeakPolarHBondContact O-CB 3.25Å; A74-L78 PolarHBondContact O-N 3Å; F75-L78 HydrophobicContact CD2-CD2 4.36Å; F75-L78 WeakPolarHBondContact O-CB 3.32Å; F75-L78 PolarHBondContact O-N 3.42Å; A76-L78 VanDerWaalsContact C-N 3.31Å; A76-L78 PolarHBondContact O-N 3.02Å; L78-L80 VanDerWaalsContact C-N 3.32Å; L78-A81 PolarHBondContact O-N 3.5Å; L78-A82 WeakPolarHBondContact O-CB 3.36Å; L78-A82 PolarHBondContact O-N 3.44Å
79L97.4Very high94.1Very high42 Ų4225 Ų2522%0.2213%0.134CC..Hα-helixtrans-63.4-39.9177.1-75.5178.2000111.7F75 A76 A82 I83 W159F75-L79 HydrophobicContact CD1-CD1 4.03Å; F75-L79 HydrophobicContact CD1-CG 4.47Å; F75-L79 HydrophobicContact CE1-CD1 3.68Å; F75-L79 HydrophobicContact CE1-CG 4.2Å; F75-L79 HydrophobicContact CZ-CD1 4.22Å; F75-L79 HydrophobicContact CZ-CD2 4.41Å; F75-L79 HydrophobicContact CZ-CG 4.32Å; F75-L79 WeakPolarHBondContact O-CG 3.48Å; F75-L79 PolarHBondContact O-N 3.24Å; A76-L79 PolarHBondContact O-N 2.69Å; L79-A82 PolarHBondContact O-N 3.11Å; L79-I83 HydrophobicContact CB-CD1 4.47Å; L79-I83 HydrophobicContact CD2-CD1 4.14Å; L79-I83 VanDerWaalsContact O-CB 3.27Å; L79-I83 WeakPolarHBondContact O-CB 3.12Å; L79-I83 WeakPolarHBondContact O-CG1 3.37Å; L79-I83 PolarHBondContact O-N 2.83Å; L79-W159 HydrophobicContact CD1-CH2 3.49Å; L79-W159 VanDerWaalsContact CD1-CH2 3.49Å; L79-W159 HydrophobicContact CD1-CZ2 4.38Å; L79-W159 HydrophobicContact CD1-CZ3 4.19Å
80L97.5Very high93.9Very high5 Ų525.5 Ų25.53%0.02614%0.136CC..Iπ-helixtrans-62.7-49.4175.4-172.373.5000110.9A76 D77 L78 A82 C84 G85 Q118 M121 W302 Y345 P346A76-L80 PolarHBondContact O-N 2.92Å; D77-L80 PolarHBondContact O-N 3.35Å; L78-L80 VanDerWaalsContact C-N 3.32Å; L80-A82 VanDerWaalsContact C-N 3.32Å; L80-A82 PolarHBondContact O-N 2.9Å; L80-C84 HydrophobicContact CD1-CB 3.99Å; L80-C84 WeakPolarHBondContact CD1-SG 3.39Å; L80-C84 HydrophobicContact CG-CB 4.44Å; L80-C84 VanDerWaalsContact O-CB 3.27Å; L80-C84 WeakPolarHBondContact O-CB 3.42Å; L80-C84 PolarHBondContact O-N 3.35Å; L80-G85 PolarHBondContact O-N 3.49Å; L80-Q118 HydrophobicContact CD1-CB 4.41Å; L80-Q118 HydrophobicContact CD1-CG 3.71Å; L80-M121 HydrophobicContact CD2-CG 4.36Å; L80-M121 HydrophobicContact CD2-SD 3.37Å; L80-M121 WeakPolarHBondContact CD2-SD 3.14Å; L80-W302 HydrophobicContact CD1-CH2 4.43Å; L80-W302 HydrophobicContact CD2-CH2 4.4Å; L80-W302 HydrophobicContact CD2-CZ2 3.76Å; L80-Y345 HydrophobicContact CD2-CD1 4.42Å; L80-P346 HydrophobicContact CB-CG 4.28Å; L80-P346 HydrophobicContact CD2-CG 3.96Å; L80-P346 HydrophobicContact CG-CG 4.3Å
81A97.4Very high93.7Very high5 Ų528.9 Ų28.94%0.04116%0.158CC..Iπ-helixtrans-59.5-42.6178.800000112I46 D77 L78 G85 P346I46-A81 HydrophobicContact CG1-CB 4.23Å; D77-A81 WeakPolarHBondContact O-CB 3.3Å; D77-A81 PolarHBondContact O-N 3.43Å; L78-A81 PolarHBondContact O-N 3.5Å; A81-G85 VanDerWaalsContact O-CA 3.28Å; A81-G85 WeakPolarHBondContact O-CA 3.3Å; A81-G85 PolarHBondContact O-N 3.38Å; A81-P346 HydrophobicContact CB-CB 3.97Å; A81-P346 HydrophobicContact CB-CG 3.98Å
82A97Very high93.2Very high27 Ų2730.3 Ų30.322%0.22316%0.162CC..Iπ-helixtrans-72.3-57.4179.500000111.9I46 L78 L79 L80 I86I46-A82 HydrophobicContact CD1-CB 4.43Å; L78-A82 WeakPolarHBondContact O-CB 3.36Å; L78-A82 PolarHBondContact O-N 3.44Å; L79-A82 PolarHBondContact O-N 3.11Å; L80-A82 VanDerWaalsContact C-N 3.32Å; L80-A82 PolarHBondContact O-N 2.9Å; A82-I86 VanDerWaalsContact O-CB 3.24Å; A82-I86 WeakPolarHBondContact O-CB 3.42Å; A82-I86 VanDerWaalsContact O-CD1 3.25Å; A82-I86 WeakPolarHBondContact O-CD1 3.47Å; A82-I86 WeakPolarHBondContact O-CG1 3.36Å; A82-I86 PolarHBondContact O-N 2.99Å
83I96.6Very high92.5Very high49 Ų4931.8 Ų31.825%0.25118%0.18SC..Iπ-helixtrans-72.6-57-171.2-63.9172.3000110.8L79 G85 I86 I87 A113 A117L79-I83 HydrophobicContact CB-CD1 4.47Å; L79-I83 HydrophobicContact CD2-CD1 4.14Å; L79-I83 VanDerWaalsContact O-CB 3.27Å; L79-I83 WeakPolarHBondContact O-CB 3.12Å; L79-I83 WeakPolarHBondContact O-CG1 3.37Å; L79-I83 PolarHBondContact O-N 2.83Å; I83-G85 VanDerWaalsContact C-N 3.29Å; I83-G85 PolarHBondContact O-N 3.42Å; I83-I86 PolarHBondContact O-N 2.94Å; I83-I87 HydrophobicContact CG2-CD1 3.87Å; I83-I87 VanDerWaalsContact O-CG1 3.29Å; I83-I87 WeakPolarHBondContact O-CG1 3.39Å; I83-I87 PolarHBondContact O-N 3.23Å; I83-A113 HydrophobicContact CG2-CB 3.74Å; I83-A117 HydrophobicContact CB-CB 4.18Å; I83-A117 HydrophobicContact CD1-CB 4.1Å; I83-A117 HydrophobicContact CG2-CB 4.32Å
84C95.5Very high91.9Very high4 Ų432.4 Ų32.43%0.02718%0.183CC..Iπ-helixtrans-68-35-178.4-67.70000110.9L80 N88L80-C84 HydrophobicContact CD1-CB 3.99Å; L80-C84 WeakPolarHBondContact CD1-SG 3.39Å; L80-C84 HydrophobicContact CG-CB 4.44Å; L80-C84 VanDerWaalsContact O-CB 3.27Å; L80-C84 WeakPolarHBondContact O-CB 3.42Å; L80-C84 PolarHBondContact O-N 3.35Å; C84-N88 WeakPolarHBondContact O-CB 3.4Å; C84-N88 PolarHBondContact O-N 2.98Å; C84-N88 PolarHBondContact O-ND2 3.38Å
85G93.9Very high91.1Very high1 Ų136 Ų361%0.0120%0.2CC..Hα-helixtrans-57.6-53.5172.800000113.8L80 A81 I83 I87 N88 M89L80-G85 PolarHBondContact O-N 3.49Å; A81-G85 VanDerWaalsContact O-CA 3.28Å; A81-G85 WeakPolarHBondContact O-CA 3.3Å; A81-G85 PolarHBondContact O-N 3.38Å; I83-G85 VanDerWaalsContact C-N 3.29Å; I83-G85 PolarHBondContact O-N 3.42Å; G85-I87 PolarHBondContact O-N 3.39Å; G85-N88 PolarHBondContact O-N 3.15Å; G85-M89 WeakPolarHBondContact O-CG 3.41Å; G85-M89 PolarHBondContact O-N 3.23Å
86I92.3Very high89.7Confident83 Ų8340.2 Ų40.243%0.42623%0.227SC..Hα-helixtrans-61.4-44.9179.4-70.5166.7000111A82 I83 N88 M89 D90 M95A82-I86 VanDerWaalsContact O-CB 3.24Å; A82-I86 WeakPolarHBondContact O-CB 3.42Å; A82-I86 VanDerWaalsContact O-CD1 3.25Å; A82-I86 WeakPolarHBondContact O-CD1 3.47Å; A82-I86 WeakPolarHBondContact O-CG1 3.36Å; A82-I86 PolarHBondContact O-N 2.99Å; I83-I86 PolarHBondContact O-N 2.94Å; I86-N88 PolarHBondContact O-N 3.38Å; I86-M89 HydrophobicContact CG1-CE 4.08Å; I86-M89 PolarHBondContact O-N 2.74Å; I86-D90 PolarHBondContact O-N 3.49Å; I86-M95 HydrophobicContact CG2-SD 3.89Å
87I92.4Very high88Confident24 Ų2442.6 Ų42.612%0.12324%0.243CC..Hα-helixtrans-61.5-43.9179-68170.9000111I83 G85 D90 V91 M110 E114I83-I87 HydrophobicContact CG2-CD1 3.87Å; I83-I87 VanDerWaalsContact O-CG1 3.29Å; I83-I87 WeakPolarHBondContact O-CG1 3.39Å; I83-I87 PolarHBondContact O-N 3.23Å; G85-I87 PolarHBondContact O-N 3.39Å; I87-D90 PolarHBondContact O-N 3.05Å; I87-V91 WeakPolarHBondContact O-CG2 3.01Å; I87-V91 PolarHBondContact O-N 3.42Å; I87-M110 HydrophobicContact CD1-CB 4.15Å; I87-M110 WeakPolarHBondContact CD1-O 3.49Å; I87-E114 HydrophobicContact CD1-CB 3.81Å; I87-E114 HydrophobicContact CD1-CG 4.27Å
88N90.5Very high86Confident36 Ų3646.8 Ų46.819%0.19327%0.273CS..Hα-helixtrans-68.3-38.1178.5-79.2-95000111.9F38 C84 G85 I86 D90 V91 E92 L343F38-N88 HydrophobicContact CD1-CB 4.34Å; C84-N88 WeakPolarHBondContact O-CB 3.4Å; C84-N88 PolarHBondContact O-N 2.98Å; C84-N88 PolarHBondContact O-ND2 3.38Å; G85-N88 PolarHBondContact O-N 3.15Å; I86-N88 PolarHBondContact O-N 3.38Å; N88-D90 VanDerWaalsContact C-N 3.31Å; N88-D90 PolarHBondContact O-N 2.95Å; N88-V91 PolarHBondContact O-N 2.96Å; N88-E92 WeakPolarHBondContact O-CB 3.23Å; N88-E92 VanDerWaalsContact O-CG 3.28Å; N88-E92 WeakPolarHBondContact O-CG 3.43Å; N88-E92 PolarHBondContact O-N 3Å; N88-L343 HydrophobicContact CB-CD1 4.09Å; N88-L343 HydrophobicContact CB-CD2 4.21Å
89M89.3Confident84.1Confident26 Ų2647.8 Ų47.813%0.12828%0.277CS..Hα-helixtrans-61.9-38.7173.4-73.9-173.4-62.400112.4F38 V39 V42 G85 I86 E92 G93 L94 M95F38-M89 HydrophobicContact CB-CG 3.93Å; V39-M89 HydrophobicContact CG2-SD 4.06Å; V42-M89 HydrophobicContact CB-CE 4.35Å; V42-M89 HydrophobicContact CG1-CE 4.05Å; V42-M89 HydrophobicContact CG2-CE 4.12Å; V42-M89 HydrophobicContact CG2-SD 4.42Å; G85-M89 WeakPolarHBondContact O-CG 3.41Å; G85-M89 PolarHBondContact O-N 3.23Å; I86-M89 HydrophobicContact CG1-CE 4.08Å; I86-M89 PolarHBondContact O-N 2.74Å; M89-E92 PolarHBondContact O-N 3.47Å; M89-G93 PolarHBondContact O-N 3.03Å; M89-L94 HydrophobicContact CB-CB 4.19Å; M89-L94 HydrophobicContact CB-CD1 4.33Å; M89-L94 HydrophobicContact CG-CD1 4.05Å; M89-L94 WeakPolarHBondContact O-CB 3.3Å; M89-L94 PolarHBondContact O-N 3.2Å; M89-M95 HydrophobicContact CB-CG 4.37Å
90D85.5Confident82.2Confident14 Ų1448.1 Ų48.18%0.07529%0.29CS..Hα-helixtrans-65.7-45175.8-176.676.9000112.1I86 I87 N88 E92 G93 M95 S97 R102I86-D90 PolarHBondContact O-N 3.49Å; I87-D90 PolarHBondContact O-N 3.05Å; N88-D90 VanDerWaalsContact C-N 3.31Å; N88-D90 PolarHBondContact O-N 2.95Å; D90-E92 VanDerWaalsContact C-N 3.26Å; D90-E92 PolarHBondContact O-N 2.86Å; D90-G93 PolarHBondContact O-N 3.07Å; D90-G93 VanDerWaalsContact O-N 3.13Å; D90-M95 HydrophobicContact CB-CB 4.45Å; D90-M95 HydrophobicContact CB-CG 4.36Å; D90-M95 HydrophobicContact CB-SD 4.19Å; D90-S97 WeakPolarHBondContact OD1-CB 3.49Å; D90-S97 PolarHBondContact OD1-OG 3.32Å; D90-R102 IonicContact OD2-CZ 3.78Å; D90-R102 IonicContact OD2-NH1 3.08Å; D90-R102 PolarHBondContact OD2-NH1 2.84Å; D90-R102 IonicContact OD2-NH2 2.8Å
91V82Confident80.6Confident92 Ų9250.7 Ų50.756%0.55831%0.312SS*.Hα-helixtrans-60.2-36.7177170.60000111.8I87 N88 G93I87-V91 WeakPolarHBondContact O-CG2 3.01Å; I87-V91 PolarHBondContact O-N 3.42Å; N88-V91 PolarHBondContact O-N 2.96Å; V91-G93 PolarHBondContact O-N 3.35Å
92E80.6Confident79.8Confident60 Ų6051.6 Ų51.628%0.2831%0.314SS..THydrogen-bonded Turntrans-83.74.7-179.9-66.9-66.2151.200114.3K34 F38 N88 M89 D90 L94K34-E92 PolarHBondContact NZ-O 3.49Å; F38-E92 HydrophobicContact CD1-CG 4.12Å; F38-E92 HydrophobicContact CD2-CB 4.42Å; F38-E92 HydrophobicContact CD2-CG 4.18Å; F38-E92 HydrophobicContact CE1-CG 3.68Å; F38-E92 HydrophobicContact CE2-CB 4.31Å; F38-E92 HydrophobicContact CE2-CG 3.73Å; F38-E92 HydrophobicContact CG-CG 4.37Å; F38-E92 HydrophobicContact CZ-CB 4.49Å; F38-E92 HydrophobicContact CZ-CG 3.46Å; F38-E92 VanDerWaalsContact CZ-CG 3.46Å; N88-E92 WeakPolarHBondContact O-CB 3.23Å; N88-E92 VanDerWaalsContact O-CG 3.28Å; N88-E92 WeakPolarHBondContact O-CG 3.43Å; N88-E92 PolarHBondContact O-N 3Å; M89-E92 PolarHBondContact O-N 3.47Å; D90-E92 VanDerWaalsContact C-N 3.26Å; D90-E92 PolarHBondContact O-N 2.86Å; E92-L94 VanDerWaalsContact C-N 3.29Å; E92-L94 PolarHBondContact O-N 2.89Å
93G77.3Confident79.3Confident42 Ų4253.1 Ų53.143%0.43332%0.321SS..THydrogen-bonded Turntrans70.621.2177.800000114.1M89 D90 V91 M95M89-G93 PolarHBondContact O-N 3.03Å; D90-G93 PolarHBondContact O-N 3.07Å; D90-G93 VanDerWaalsContact O-N 3.13Å; V91-G93 PolarHBondContact O-N 3.35Å; G93-M95 VanDerWaalsContact C-N 3.28Å
94L82.4Confident78.8Confident51 Ų5157.5 Ų57.527%0.26733%0.334SS..  trans-77.9-17.7172.7-74.3163.9000112.3M31 K34 F38 V39 M89 E92M31-L94 HydrophobicContact CE-CD2 4.3Å; K34-L94 HydrophobicContact CB-CD1 4.28Å; K34-L94 HydrophobicContact CB-CD2 4.04Å; K34-L94 HydrophobicContact CB-CG 4.47Å; K34-L94 HydrophobicContact CD-CD2 4.24Å; K34-L94 HydrophobicContact CD-CG 4.4Å; F38-L94 HydrophobicContact CB-CD1 3.62Å; F38-L94 HydrophobicContact CD2-CD1 4.17Å; F38-L94 HydrophobicContact CG-CD1 4.19Å; V39-L94 HydrophobicContact CG2-CD1 4Å; M89-L94 HydrophobicContact CB-CB 4.19Å; M89-L94 HydrophobicContact CB-CD1 4.33Å; M89-L94 HydrophobicContact CG-CD1 4.05Å; M89-L94 WeakPolarHBondContact O-CB 3.3Å; M89-L94 PolarHBondContact O-N 3.2Å; E92-L94 VanDerWaalsContact C-N 3.29Å; E92-L94 PolarHBondContact O-N 2.89Å
95M77.8Confident78.6Confident78 Ų7860.9 Ų60.938%0.38436%0.358SS..SBendtrans-99.7132171.7-55.9-162.781.500109.1I86 M89 D90 G93 S97I86-M95 HydrophobicContact CG2-SD 3.89Å; M89-M95 HydrophobicContact CB-CG 4.37Å; D90-M95 HydrophobicContact CB-CB 4.45Å; D90-M95 HydrophobicContact CB-CG 4.36Å; D90-M95 HydrophobicContact CB-SD 4.19Å; G93-M95 VanDerWaalsContact C-N 3.28Å; M95-S97 PolarHBondContact O-N 3.13Å
96N65.8Low78.5Confident175 Ų17564.2 Ų64.294%0.93638%0.375SS*.  trans-71.843.7172.9-85.1-1.5000111.7S98N96-S98 PolarHBondContact O-N 3.04Å
97S61.5Low78.5Confident49 Ų4960.3 Ų60.334%0.34336%0.355SS..  trans-73.3114174.5-59.50000107.9D90 M95 H99D90-S97 WeakPolarHBondContact OD1-CB 3.49Å; D90-S97 PolarHBondContact OD1-OG 3.32Å; M95-S97 PolarHBondContact O-N 3.13Å; S97-H99 PolarHBondContact O-N 2.91Å; S97-H99 PolarHBondContact O-ND1 3.13Å
98S56.3Low78.6Confident89 Ų8959.7 Ų59.762%0.62235%0.353SS*.  trans-60.5108174.246.50000108.8N96 G100 A101N96-S98 PolarHBondContact O-N 3.04Å; S98-G100 PolarHBondContact O-N 3.45Å; S98-A101 PolarHBondContact O-N 3Å
99H58Low78.9Confident52 Ų5263.4 Ų63.424%0.24137%0.373CS..G310 helixtrans-58.4-15.8-177.3-72.847.7000112.3S97 A101 R102 W190 Y191S97-H99 PolarHBondContact O-N 2.91Å; S97-H99 PolarHBondContact O-ND1 3.13Å; H99-A101 VanDerWaalsContact C-N 3.3Å; H99-A101 PolarHBondContact O-N 3.42Å; H99-R102 PolarHBondContact CD2-NH2 3.04Å; H99-R102 PolarHBondContact NE2-NH2 3.29Å; H99-R102 VanDerWaalsContact NE2-NH2 3.16Å; H99-W190 HydrophobicContact CB-CB 4.26Å; H99-W190 HydrophobicContact CB-CD2 4.25Å; H99-W190 HydrophobicContact CB-CE3 4.48Å; H99-W190 HydrophobicContact CB-CG 4.16Å; H99-Y191 CarbonylContact O-C 3.55Å; H99-Y191 WeakPolarHBondContact O-CA 3.15Å; H99-Y191 WeakPolarHBondContact O-CB 3.48Å; H99-Y191 PolarHBondContact O-N 3.18Å
100G57Low79.1Confident48 Ų4864.3 Ų64.350%0.49538%0.377SS..G310 helixtrans-67.4-19.2172.100000115.7S98S98-G100 PolarHBondContact O-N 3.45Å
101A64.5Low79.6Confident60 Ų6064 Ų6450%0.49638%0.376SS..G310 helixtrans-99.2-0.9-170.300000115.5S98 H99 T103S98-A101 PolarHBondContact O-N 3Å; H99-A101 VanDerWaalsContact C-N 3.3Å; H99-A101 PolarHBondContact O-N 3.42Å; A101-T103 PolarHBondContact O-N 3.17Å; A101-T103 VanDerWaalsContact O-N 3.11Å
102R79.6Confident80.3Confident23 Ų2362.6 Ų62.69%0.08736%0.363CS..  trans-71.4109.5-177.6-90-172.7-96.5-129.8-7111.5D90 H99 I106 R175 Y191 C193D90-R102 IonicContact OD2-CZ 3.78Å; D90-R102 IonicContact OD2-NH1 3.08Å; D90-R102 PolarHBondContact OD2-NH1 2.84Å; D90-R102 IonicContact OD2-NH2 2.8Å; H99-R102 PolarHBondContact CD2-NH2 3.04Å; H99-R102 PolarHBondContact NE2-NH2 3.29Å; H99-R102 VanDerWaalsContact NE2-NH2 3.16Å; R102-I106 HydrophobicContact CG-CG2 4.5Å; R102-R175 VanDerWaalsContact O-CD 3.29Å; R102-R175 WeakPolarHBondContact O-CD 3.24Å; R102-R175 VanDerWaalsContact O-CZ 3.24Å; R102-R175 PolarHBondContact O-NE 3.23Å; R102-Y191 PolarHBondContact NE-O 3.02Å; R102-Y191 VanDerWaalsContact NE-O 3.17Å; R102-C193 VanDerWaalsContact CD-SG 3.55Å
103T86Confident81.1Confident59 Ų5960.9 Ų60.936%0.36236%0.359SS..  trans-86.4161.9172.6660000111.1A101 S105 I106 C107A101-T103 PolarHBondContact O-N 3.17Å; A101-T103 VanDerWaalsContact O-N 3.11Å; T103-S105 PolarHBondContact O-N 3.15Å; T103-I106 HydrophobicContact CG2-CD1 4.47Å; T103-I106 PolarHBondContact O-N 3.35Å; T103-I106 VanDerWaalsContact O-N 3.16Å; T103-I106 WeakPolarHBondContact OG1-CD1 3.3Å; T103-I106 WeakPolarHBondContact OG1-CG1 3.37Å; T103-I106 PolarHBondContact OG1-N 2.94Å; T103-C107 PolarHBondContact O-N 3.31Å; T103-C107 VanDerWaalsContact O-N 3.16Å
104W87.5Confident82Confident142 Ų14260.2 Ų60.254%0.53835%0.345SS..Hα-helixtrans-53.5-43.2172.917485000111.8I106 C107 A108 R175W104-I106 VanDerWaalsContact C-N 3.32Å; W104-I106 PolarHBondContact O-N 2.93Å; W104-C107 PolarHBondContact O-N 3.31Å; W104-C107 VanDerWaalsContact O-N 3.15Å; W104-A108 PolarHBondContact O-N 3.26Å; W104-R175 HydrophobicContact CB-CB 4.49Å
105S91.4Very high82.6Confident74 Ų7457.8 Ų57.852%0.51733%0.332SS..Hα-helixtrans-62.3-37.1179.7-47.50000113T103 L109T103-S105 PolarHBondContact O-N 3.15Å; S105-L109 VanDerWaalsContact O-CB 3.28Å; S105-L109 WeakPolarHBondContact O-CB 3.26Å; S105-L109 PolarHBondContact O-N 2.97Å
106I90.8Very high83.5Confident71 Ų7154.3 Ų54.336%0.36432%0.315SS..Hα-helixtrans-66.7-44176-68166.8000109.8R102 T103 W104 L109 M110R102-I106 HydrophobicContact CG-CG2 4.5Å; T103-I106 HydrophobicContact CG2-CD1 4.47Å; T103-I106 PolarHBondContact O-N 3.35Å; T103-I106 VanDerWaalsContact O-N 3.16Å; T103-I106 WeakPolarHBondContact OG1-CD1 3.3Å; T103-I106 WeakPolarHBondContact OG1-CG1 3.37Å; T103-I106 PolarHBondContact OG1-N 2.94Å; W104-I106 VanDerWaalsContact C-N 3.32Å; W104-I106 PolarHBondContact O-N 2.93Å; I106-L109 PolarHBondContact O-N 3.18Å; I106-M110 HydrophobicContact CG2-CE 3.69Å; I106-M110 HydrophobicContact CG2-CG 4.41Å; I106-M110 HydrophobicContact CG2-SD 4.08Å; I106-M110 WeakPolarHBondContact O-CB 3.5Å; I106-M110 VanDerWaalsContact O-CG 3.31Å; I106-M110 WeakPolarHBondContact O-CG 3.49Å; I106-M110 PolarHBondContact O-N 3.36Å
107C92.8Very high85.1Confident1 Ų146.2 Ų46.21%0.00727%0.272CS..Hα-helixtrans-61.9-46.1176.4-66.20000112.7T103 W104 L109 M110 A111 V173 C193T103-C107 PolarHBondContact O-N 3.31Å; T103-C107 VanDerWaalsContact O-N 3.16Å; W104-C107 PolarHBondContact O-N 3.31Å; W104-C107 VanDerWaalsContact O-N 3.15Å; C107-L109 PolarHBondContact O-N 3Å; C107-M110 PolarHBondContact O-N 2.97Å; C107-A111 WeakPolarHBondContact O-CB 3.42Å; C107-A111 PolarHBondContact O-N 2.84Å; C107-V173 HydrophobicContact CB-CG1 4.22Å; C107-C193 WeakPolarHBondContact CA-SG 3.25Å; C107-C193 HydrophobicContact CB-CB 3.61Å; C107-C193 WeakPolarHBondContact CB-SG 3.38Å; C107-C193 WeakPolarHBondContact SG-CA 3.42Å; C107-C193 WeakPolarHBondContact SG-CB 3.32Å; C107-C193 CovalentContact SG-SG 2.03Å; C107-C193 PolarHBondContact SG-SG 2.93Å
108A94.9Very high86.8Confident11 Ų1144.3 Ų44.39%0.09126%0.258CS..Hα-helixtrans-59-47.5175.300000111.4W104 A111 F112 P170W104-A108 PolarHBondContact O-N 3.26Å; A108-A111 PolarHBondContact O-N 3.45Å; A108-F112 WeakPolarHBondContact O-CB 3.46Å; A108-F112 PolarHBondContact O-N 3.02Å; A108-P170 HydrophobicContact CB-CB 4.01Å; A108-P170 HydrophobicContact CB-CG 4.39Å; A108-P170 WeakPolarHBondContact O-CG 3.37Å
109L95.2Very high88.7Confident115 Ų11540.1 Ų40.160%0.60223%0.229SC*.Hα-helixtrans-63.9-44.1-179.7-179.162.4000112.3S105 I106 C107 F112 A113S105-L109 VanDerWaalsContact O-CB 3.28Å; S105-L109 WeakPolarHBondContact O-CB 3.26Å; S105-L109 PolarHBondContact O-N 2.97Å; I106-L109 PolarHBondContact O-N 3.18Å; C107-L109 PolarHBondContact O-N 3Å; L109-F112 PolarHBondContact O-N 3.45Å; L109-A113 VanDerWaalsContact O-CB 3.29Å; L109-A113 WeakPolarHBondContact O-CB 3.35Å; L109-A113 PolarHBondContact O-N 2.93Å
110M94.2Very high90.6Very high44 Ų4437.8 Ų37.822%0.21722%0.218CC..Hα-helixtrans-62.5-44.6177.1-71.6-174.3-55.400111.1I87 I106 C107 F112 A113 E114 C193I87-M110 HydrophobicContact CD1-CB 4.15Å; I87-M110 WeakPolarHBondContact CD1-O 3.49Å; I106-M110 HydrophobicContact CG2-CE 3.69Å; I106-M110 HydrophobicContact CG2-CG 4.41Å; I106-M110 HydrophobicContact CG2-SD 4.08Å; I106-M110 WeakPolarHBondContact O-CB 3.5Å; I106-M110 VanDerWaalsContact O-CG 3.31Å; I106-M110 WeakPolarHBondContact O-CG 3.49Å; I106-M110 PolarHBondContact O-N 3.36Å; C107-M110 PolarHBondContact O-N 2.97Å; M110-F112 PolarHBondContact O-N 3.3Å; M110-A113 PolarHBondContact O-N 3.46Å; M110-E114 VanDerWaalsContact O-CB 3.3Å; M110-E114 WeakPolarHBondContact O-CB 3.17Å; M110-E114 PolarHBondContact O-N 3.24Å; M110-C193 HydrophobicContact CE-CB 4.24Å; M110-C193 WeakPolarHBondContact CE-SG 3.15Å
111A95.1Very high92.5Very high7 Ų735.6 Ų35.66%0.05820%0.195CC..Hα-helixtrans-62.3-41.7177.200000112.3C107 A108 M115 V173C107-A111 WeakPolarHBondContact O-CB 3.42Å; C107-A111 PolarHBondContact O-N 2.84Å; A108-A111 PolarHBondContact O-N 3.45Å; A111-M115 WeakPolarHBondContact O-CB 3.38Å; A111-M115 VanDerWaalsContact O-CG 3.31Å; A111-M115 WeakPolarHBondContact O-CG 3.42Å; A111-M115 PolarHBondContact O-N 3.41Å; A111-M115 VanDerWaalsContact O-N 3.11Å; A111-V173 HydrophobicContact CB-CB 3.81Å; A111-V173 HydrophobicContact CB-CG1 4.13Å; A111-V173 HydrophobicContact CB-CG2 3.68Å
112F97.4Very high94.1Very high64 Ų6432.7 Ų32.728%0.28117%0.171SC..Hα-helixtrans-62.2-48.6174.9174.1-101.1000111.6A108 L109 M110 S116 F163 G166 T167 P170A108-F112 WeakPolarHBondContact O-CB 3.46Å; A108-F112 PolarHBondContact O-N 3.02Å; L109-F112 PolarHBondContact O-N 3.45Å; M110-F112 PolarHBondContact O-N 3.3Å; F112-S116 WeakPolarHBondContact O-CB 3.28Å; F112-S116 PolarHBondContact O-N 3.44Å; F112-S116 PolarHBondContact O-OG 2.95Å; F112-F163 HydrophobicContact CZ-CB 4.4Å; F112-F163 HydrophobicContact CZ-CD1 4.05Å; F112-F163 HydrophobicContact CZ-CG 4.46Å; F112-G166 VanDerWaalsContact CD2-C 3.47Å; F112-G166 WeakPolarHBondContact CD2-O 3.31Å; F112-T167 HydrophobicContact CE2-CG2 4.21Å; F112-P170 HydrophobicContact CB-CG 3.76Å
113A97.3Very high94.9Very high24 Ų2433.2 Ų33.220%0.19817%0.174CC..Hα-helixtrans-65.1-44.1-177.500000111.5I83 L109 M110 A117I83-A113 HydrophobicContact CG2-CB 3.74Å; L109-A113 VanDerWaalsContact O-CB 3.29Å; L109-A113 WeakPolarHBondContact O-CB 3.35Å; L109-A113 PolarHBondContact O-N 2.93Å; M110-A113 PolarHBondContact O-N 3.46Å; A113-A117 VanDerWaalsContact O-CB 3.25Å; A113-A117 WeakPolarHBondContact O-CB 3Å; A113-A117 PolarHBondContact O-N 3.48Å
114E95.5Very high95.3Very high28 Ų2830.4 Ų30.413%0.13116%0.157CC..Hα-helixtrans-59.5-54.2177.5-161.6-153.2162.100110.8I87 M110 S116 A117 Q118 R207I87-E114 HydrophobicContact CD1-CB 3.81Å; I87-E114 HydrophobicContact CD1-CG 4.27Å; M110-E114 VanDerWaalsContact O-CB 3.3Å; M110-E114 WeakPolarHBondContact O-CB 3.17Å; M110-E114 PolarHBondContact O-N 3.24Å; E114-S116 PolarHBondContact O-N 3.24Å; E114-A117 PolarHBondContact O-N 2.87Å; E114-Q118 VanDerWaalsContact O-CG 3.3Å; E114-Q118 WeakPolarHBondContact O-CG 3.38Å; E114-Q118 PolarHBondContact O-N 3.12Å; E114-Q118 VanDerWaalsContact O-N 3.12Å; E114-Q118 PolarHBondContact OE1-NE2 3.32Å; E114-R207 IonicContact OE1-NH2 2.98Å; E114-R207 PolarHBondContact OE1-NH2 2.96Å; E114-R207 IonicContact OE2-NH2 3.96Å; E114-R207 PolarHBondContact OE2-NH2 3.47Å
115M95.9Very high95.6Very high0 Ų024 Ų240%013%0.133CC..Hα-helixtrans-63.4-41.4-178.9-72.8-69-73.100112A111 A119 V165 L203 V206 R207 L211A111-M115 WeakPolarHBondContact O-CB 3.38Å; A111-M115 VanDerWaalsContact O-CG 3.31Å; A111-M115 WeakPolarHBondContact O-CG 3.42Å; A111-M115 PolarHBondContact O-N 3.41Å; A111-M115 VanDerWaalsContact O-N 3.11Å; M115-A119 WeakPolarHBondContact O-CB 3.47Å; M115-A119 PolarHBondContact O-N 2.8Å; M115-V165 HydrophobicContact CE-CG1 4.34Å; M115-L203 HydrophobicContact CE-CD1 4.25Å; M115-L203 HydrophobicContact SD-CD1 4.28Å; M115-V206 HydrophobicContact CE-CG1 4.38Å; M115-R207 HydrophobicContact CE-CG 4.02Å; M115-R207 HydrophobicContact SD-CG 3.82Å; M115-R207 PolarHBondContact SD-NE 2.96Å; M115-L211 HydrophobicContact CE-CD1 4.35Å; M115-L211 HydrophobicContact SD-CD1 4.27Å
116S97.6Very high95.8Very high5 Ų521.1 Ų21.14%0.03511%0.114CC..Hα-helixtrans-65.3-45.3178.3-62.20000111.9F112 E114 Q118 A119 V120 G166F112-S116 WeakPolarHBondContact O-CB 3.28Å; F112-S116 PolarHBondContact O-N 3.44Å; F112-S116 PolarHBondContact O-OG 2.95Å; E114-S116 PolarHBondContact O-N 3.24Å; S116-Q118 VanDerWaalsContact C-N 3.33Å; S116-Q118 PolarHBondContact O-N 3.32Å; S116-A119 PolarHBondContact O-N 3.38Å; S116-V120 WeakPolarHBondContact O-CB 3.42Å; S116-V120 VanDerWaalsContact O-CG2 3.3Å; S116-V120 WeakPolarHBondContact O-CG2 3.31Å; S116-V120 PolarHBondContact O-N 3Å; S116-G166 WeakPolarHBondContact OG-CA 3.26Å
117A97.9Very high96Very high4 Ų418.6 Ų18.63%0.03310%0.102CC..Hα-helixtrans-61.5-43.3179.900000111.4I83 A113 E114 M121I83-A117 HydrophobicContact CB-CB 4.18Å; I83-A117 HydrophobicContact CD1-CB 4.1Å; I83-A117 HydrophobicContact CG2-CB 4.32Å; A113-A117 VanDerWaalsContact O-CB 3.25Å; A113-A117 WeakPolarHBondContact O-CB 3Å; A113-A117 PolarHBondContact O-N 3.48Å; E114-A117 PolarHBondContact O-N 2.87Å; A117-M121 WeakPolarHBondContact O-CB 3.38Å; A117-M121 PolarHBondContact O-N 3.22Å; A117-M121 VanDerWaalsContact O-N 3.16Å
118Q97.2Very high95.9Very high10 Ų1018.8 Ų18.85%0.04710%0.104CC..Hα-helixtrans-61.1-49.6173.9-65.717729.600111L80 E114 S116 V120 M121 V122 L211 W302L80-Q118 HydrophobicContact CD1-CB 4.41Å; L80-Q118 HydrophobicContact CD1-CG 3.71Å; E114-Q118 VanDerWaalsContact O-CG 3.3Å; E114-Q118 WeakPolarHBondContact O-CG 3.38Å; E114-Q118 PolarHBondContact O-N 3.12Å; E114-Q118 VanDerWaalsContact O-N 3.12Å; E114-Q118 PolarHBondContact OE1-NE2 3.32Å; S116-Q118 VanDerWaalsContact C-N 3.33Å; S116-Q118 PolarHBondContact O-N 3.32Å; Q118-V120 PolarHBondContact O-N 3.37Å; Q118-M121 PolarHBondContact O-N 3.39Å; Q118-V122 VanDerWaalsContact O-CG2 3.28Å; Q118-V122 WeakPolarHBondContact O-CG2 3.43Å; Q118-V122 PolarHBondContact O-N 3.2Å; Q118-L211 HydrophobicContact CB-CD1 3.99Å; Q118-W302 HydrophobicContact CB-CH2 3.79Å; Q118-W302 HydrophobicContact CB-CZ3 4.12Å; Q118-W302 HydrophobicContact CG-CH2 3.77Å; Q118-W302 HydrophobicContact CG-CZ3 4.18Å
119A97.4Very high95.8Very high0 Ų018.3 Ų18.30%010%0.1CC..Hα-helixtrans-63.4-43.2-178.800000112.9M115 S116 M121 V122 F123 A162 V165 L211M115-A119 WeakPolarHBondContact O-CB 3.47Å; M115-A119 PolarHBondContact O-N 2.8Å; S116-A119 PolarHBondContact O-N 3.38Å; A119-M121 VanDerWaalsContact C-N 3.29Å; A119-M121 PolarHBondContact O-N 3.49Å; A119-V122 PolarHBondContact O-N 2.85Å; A119-F123 HydrophobicContact CB-CE2 4.32Å; A119-F123 WeakPolarHBondContact O-CB 3.47Å; A119-F123 VanDerWaalsContact O-CG 3.22Å; A119-F123 WeakPolarHBondContact O-CG 3.27Å; A119-F123 PolarHBondContact O-N 2.93Å; A119-A162 HydrophobicContact CB-CB 3.62Å; A119-V165 HydrophobicContact CB-CB 4.39Å; A119-V165 HydrophobicContact CB-CG1 4.38Å; A119-L211 HydrophobicContact CB-CD2 3.74Å
120V97.8Very high95.7Very high4 Ų416.1 Ų16.12%0.0249%0.085CC..Hα-helixtrans-59.4-42.8177.2168.50000110.5A76 S116 Q118 G124 W159 A162A76-V120 HydrophobicContact CB-CG1 3.81Å; S116-V120 WeakPolarHBondContact O-CB 3.42Å; S116-V120 VanDerWaalsContact O-CG2 3.3Å; S116-V120 WeakPolarHBondContact O-CG2 3.31Å; S116-V120 PolarHBondContact O-N 3Å; Q118-V120 PolarHBondContact O-N 3.37Å; V120-G124 WeakPolarHBondContact O-CA 3.16Å; V120-G124 PolarHBondContact O-N 3.33Å; V120-W159 HydrophobicContact CG1-CD2 4.03Å; V120-W159 HydrophobicContact CG1-CE3 4.4Å; V120-W159 HydrophobicContact CG1-CH2 3.88Å; V120-W159 HydrophobicContact CG1-CZ2 3.46Å; V120-W159 VanDerWaalsContact CG1-CZ2 3.46Å; V120-W159 HydrophobicContact CG1-CZ3 4.34Å; V120-W159 HydrophobicContact CG2-CD2 4.04Å; V120-W159 HydrophobicContact CG2-CE3 3.92Å; V120-W159 HydrophobicContact CG2-CZ3 4.17Å; V120-A162 HydrophobicContact CB-CB 4.21Å; V120-A162 HydrophobicContact CG2-CB 3.45Å; V120-A162 VanDerWaalsContact CG2-CB 3.45Å
121M96.9Very high95.6Very high1 Ų114.2 Ų14.21%0.0058%0.076CC..Hα-helixtrans-64.4-53.3177.6-171.6-136.760.800111.6A76 D77 L80 A117 Q118 A119 G124 Q125 F298 W302 Y345A76-M121 HydrophobicContact CB-CB 4.16Å; A76-M121 HydrophobicContact CB-CG 4.47Å; D77-M121 VanDerWaalsContact OD1-CG 3.23Å; D77-M121 WeakPolarHBondContact OD1-CG 3.02Å; L80-M121 HydrophobicContact CD2-CG 4.36Å; L80-M121 HydrophobicContact CD2-SD 3.37Å; L80-M121 WeakPolarHBondContact CD2-SD 3.14Å; A117-M121 WeakPolarHBondContact O-CB 3.38Å; A117-M121 PolarHBondContact O-N 3.22Å; A117-M121 VanDerWaalsContact O-N 3.16Å; Q118-M121 PolarHBondContact O-N 3.39Å; A119-M121 VanDerWaalsContact C-N 3.29Å; A119-M121 PolarHBondContact O-N 3.49Å; M121-G124 PolarHBondContact O-N 2.96Å; M121-Q125 WeakPolarHBondContact O-CG 3.11Å; M121-Q125 PolarHBondContact O-N 3.45Å; M121-Q125 VanDerWaalsContact O-N 3.1Å; M121-F298 HydrophobicContact CE-CE2 4.17Å; M121-W302 VanDerWaalsContact CE-CE2 3.5Å; M121-W302 HydrophobicContact CE-CH2 3.76Å; M121-W302 HydrophobicContact CE-CZ2 3.07Å; M121-W302 HydrophobicContact SD-CZ2 3.65Å; M121-Y345 HydrophobicContact CE-CD1 4.31Å; M121-Y345 HydrophobicContact CE-CE1 3.89Å; M121-Y345 HydrophobicContact CG-CE1 4.44Å; M121-Y345 HydrophobicContact SD-CD1 3.39Å; M121-Y345 WeakPolarHBondContact SD-CD1 3.35Å; M121-Y345 HydrophobicContact SD-CE1 3.21Å; M121-Y345 WeakPolarHBondContact SD-CE1 3.39Å
122V96.7Very high95.3Very high0 Ų018.4 Ų18.40%09%0.09CC..Hα-helixtrans-63.5-47.8-177178.50000111.3Q118 A119 G124 Q125 A126 L211 P215 F298 W302Q118-V122 VanDerWaalsContact O-CG2 3.28Å; Q118-V122 WeakPolarHBondContact O-CG2 3.43Å; Q118-V122 PolarHBondContact O-N 3.2Å; A119-V122 PolarHBondContact O-N 2.85Å; V122-G124 VanDerWaalsContact C-N 3.34Å; V122-G124 PolarHBondContact O-N 3.47Å; V122-Q125 PolarHBondContact O-N 3.43Å; V122-A126 PolarHBondContact O-N 2.91Å; V122-L211 HydrophobicContact CG2-CB 4.48Å; V122-L211 WeakPolarHBondContact CG2-O 3.29Å; V122-P215 HydrophobicContact CG1-CB 3.23Å; V122-P215 HydrophobicContact CG1-CG 3.36Å; V122-F298 HydrophobicContact CG1-CE2 4.14Å; V122-F298 HydrophobicContact CG1-CZ 3.85Å; V122-F298 HydrophobicContact CG2-CE2 4.02Å; V122-F298 HydrophobicContact CG2-CZ 4.15Å; V122-W302 HydrophobicContact CG2-CE3 4.48Å; V122-W302 HydrophobicContact CG2-CH2 4.09Å; V122-W302 HydrophobicContact CG2-CZ2 4.43Å; V122-W302 HydrophobicContact CG2-CZ3 4.13Å
123F96.8Very high95.1Very high33 Ų3317.1 Ų17.115%0.1459%0.085CC..Hα-helixtrans-65.9-39.1179.5-65.9-8.2000111.1A119 Q125 A126 C127 C158 A161 A162 V165 F210 P215A119-F123 HydrophobicContact CB-CE2 4.32Å; A119-F123 WeakPolarHBondContact O-CB 3.47Å; A119-F123 VanDerWaalsContact O-CG 3.22Å; A119-F123 WeakPolarHBondContact O-CG 3.27Å; A119-F123 PolarHBondContact O-N 2.93Å; F123-Q125 VanDerWaalsContact C-N 3.27Å; F123-Q125 PolarHBondContact O-N 2.87Å; F123-A126 PolarHBondContact O-N 3.34Å; F123-C127 WeakPolarHBondContact O-CB 3.5Å; F123-C127 PolarHBondContact O-N 2.96Å; F123-C158 HydrophobicContact CB-CB 4.43Å; F123-C158 PolarHBondContact O-SG 2.88Å; F123-A161 HydrophobicContact CD2-CB 4.22Å; F123-A161 HydrophobicContact CE2-CB 4.06Å; F123-A162 HydrophobicContact CD2-CB 3.95Å; F123-A162 HydrophobicContact CE2-CB 4.36Å; F123-V165 HydrophobicContact CE2-CG2 4.2Å; F123-V165 HydrophobicContact CZ-CG2 4.11Å; F123-F210 WeakPolarHBondContact CE1-O 3.17Å; F123-P215 HydrophobicContact CD1-CG 4.27Å; F123-P215 HydrophobicContact CE1-CG 4.15Å
124G95Very high94.8Very high1 Ų117.4 Ų17.41%0.018%0.083CC..Hα-helixtrans-56.5-39173.700000113.2N72 V120 M121 V122 A128N72-G124 WeakPolarHBondContact ND2-CA 3.35Å; V120-G124 WeakPolarHBondContact O-CA 3.16Å; V120-G124 PolarHBondContact O-N 3.33Å; M121-G124 PolarHBondContact O-N 2.96Å; V122-G124 VanDerWaalsContact C-N 3.34Å; V122-G124 PolarHBondContact O-N 3.47Å; G124-A128 WeakPolarHBondContact O-CB 3.43Å; G124-A128 PolarHBondContact O-N 3.27Å
125Q94Very high94.4Very high8 Ų818.7 Ų18.74%0.0379%0.092CC..Hα-helixtrans-73.6-40.7176.8-67.9-163.210.400113.4M121 V122 F123 C127 A128 S129 M219 Y345M121-Q125 WeakPolarHBondContact O-CG 3.11Å; M121-Q125 PolarHBondContact O-N 3.45Å; M121-Q125 VanDerWaalsContact O-N 3.1Å; V122-Q125 PolarHBondContact O-N 3.43Å; F123-Q125 VanDerWaalsContact C-N 3.27Å; F123-Q125 PolarHBondContact O-N 2.87Å; Q125-C127 VanDerWaalsContact C-N 3.35Å; Q125-A128 PolarHBondContact O-N 3.01Å; Q125-S129 PolarHBondContact O-N 3.47Å; Q125-M219 HydrophobicContact CB-CE 4Å; Q125-M219 HydrophobicContact CB-SD 4.07Å; Q125-Y345 PolarHBondContact NE2-OH 2.78Å; Q125-Y345 PolarHBondContact OE1-OH 3.18Å
126A95.6Very high94Very high13 Ų1321 Ų2111%0.10711%0.105CC..Hα-helixtrans-59.8-47.9172.300000110.8V122 F123 A128 S129 F130 P215 M219V122-A126 PolarHBondContact O-N 2.91Å; F123-A126 PolarHBondContact O-N 3.34Å; A126-A128 VanDerWaalsContact C-N 3.32Å; A126-A128 PolarHBondContact O-N 3.48Å; A126-S129 PolarHBondContact O-N 2.9Å; A126-S129 VanDerWaalsContact O-N 3.08Å; A126-S129 PolarHBondContact O-OG 3.39Å; A126-F130 PolarHBondContact O-N 3.29Å; A126-P215 HydrophobicContact CB-CB 4.46Å; A126-M219 HydrophobicContact CB-CG 4.32Å
127C93.9Very high93.7Very high17 Ų1721.9 Ų21.912%0.11511%0.109CC..Hα-helixtrans-55.2-43.2174-93.90000111.4F69 F123 Q125 F130 E131 I154 C158F69-C127 HydrophobicContact CD1-CB 4.39Å; F69-C127 HydrophobicContact CE1-CB 3.92Å; F123-C127 WeakPolarHBondContact O-CB 3.5Å; F123-C127 PolarHBondContact O-N 2.96Å; Q125-C127 VanDerWaalsContact C-N 3.35Å; C127-F130 PolarHBondContact O-N 3.39Å; C127-E131 PolarHBondContact O-N 3.34Å; C127-E131 VanDerWaalsContact O-N 3.11Å; C127-I154 HydrophobicContact CB-CG2 4.28Å; C127-I154 WeakPolarHBondContact SG-CG2 3.23Å; C127-C158 WeakPolarHBondContact CB-SG 3.42Å; C127-C158 WeakPolarHBondContact SG-CB 3.21Å; C127-C158 CovalentContact SG-SG 2.1Å; C127-C158 PolarHBondContact SG-SG 3.47Å
128A91.9Very high93.4Very high6 Ų624.5 Ų24.55%0.0512%0.122CC..Hα-helixtrans-70.5-31.9175.800000113.8F69 I73 G124 Q125 A126 F130 E131 R132F69-A128 HydrophobicContact CB-CB 4.24Å; F69-A128 HydrophobicContact CD1-CB 4.31Å; I73-A128 HydrophobicContact CD1-CB 3.6Å; I73-A128 HydrophobicContact CG1-CB 4.34Å; G124-A128 WeakPolarHBondContact O-CB 3.43Å; G124-A128 PolarHBondContact O-N 3.27Å; Q125-A128 PolarHBondContact O-N 3.01Å; A126-A128 VanDerWaalsContact C-N 3.32Å; A126-A128 PolarHBondContact O-N 3.48Å; A128-F130 VanDerWaalsContact C-N 3.31Å; A128-E131 WeakPolarHBondContact O-CB 3.39Å; A128-E131 PolarHBondContact O-N 2.65Å; A128-R132 WeakPolarHBondContact O-CG 3.27Å; A128-R132 PolarHBondContact O-N 3.38Å
129S93.6Very high92.8Very high0 Ų027.3 Ų27.30%014%0.142CC..Hα-helixtrans-67.5-36174.374.30000112.1Q125 A126 R132 F133 F222 Y223Q125-S129 PolarHBondContact O-N 3.47Å; A126-S129 PolarHBondContact O-N 2.9Å; A126-S129 VanDerWaalsContact O-N 3.08Å; A126-S129 PolarHBondContact O-OG 3.39Å; S129-R132 PolarHBondContact O-N 3.43Å; S129-F133 PolarHBondContact O-N 3.3Å; S129-F222 WeakPolarHBondContact OG-CD2 3.36Å; S129-Y223 VanDerWaalsContact CB-CE1 3.45Å
130F93Very high92.4Very high69 Ų6936.1 Ų36.130%0.30318%0.18SC..Hα-helixtrans-66.5-40.9173.5-178.7-118000112.6A126 C127 A128 R132 F133 L134 W146 F222A126-F130 PolarHBondContact O-N 3.29Å; C127-F130 PolarHBondContact O-N 3.39Å; A128-F130 VanDerWaalsContact C-N 3.31Å; F130-R132 VanDerWaalsContact C-N 3.33Å; F130-R132 PolarHBondContact O-N 2.99Å; F130-F133 HydrophobicContact CD2-CD1 4.26Å; F130-F133 HydrophobicContact CE2-CD1 4.32Å; F130-F133 WeakPolarHBondContact O-CB 3.32Å; F130-F133 PolarHBondContact O-N 2.97Å; F130-L134 HydrophobicContact CD1-CD1 4.04Å; F130-L134 HydrophobicContact CD2-CG 4.43Å; F130-L134 HydrophobicContact CE1-CD1 3.45Å; F130-L134 VanDerWaalsContact CE1-CD1 3.45Å; F130-L134 HydrophobicContact CE1-CG 4.27Å; F130-L134 HydrophobicContact CE2-CD1 4.04Å; F130-L134 HydrophobicContact CE2-CD2 4.25Å; F130-L134 HydrophobicContact CE2-CG 4Å; F130-L134 HydrophobicContact CZ-CD1 3.45Å; F130-L134 VanDerWaalsContact CZ-CD1 3.45Å; F130-L134 HydrophobicContact CZ-CD2 4.22Å; F130-L134 HydrophobicContact CZ-CG 3.92Å; F130-L134 PolarHBondContact O-N 3.08Å; F130-W146 HydrophobicContact CD1-CZ3 4.49Å; F130-W146 HydrophobicContact CE1-CZ3 4.44Å; F130-F222 HydrophobicContact CB-CD2 4.12Å; F130-F222 HydrophobicContact CB-CE2 3.92Å; F130-F222 HydrophobicContact CB-CZ 4.33Å; F130-F222 HydrophobicContact CD2-CD1 4.25Å; F130-F222 AromaticContact CD2-CE1 3.69Å; F130-F222 HydrophobicContact CD2-CE1 3.69Å; F130-F222 HydrophobicContact CD2-CE2 4.03Å; F130-F222 AromaticContact CD2-CZ 3.56Å; F130-F222 HydrophobicContact CD2-CZ 3.56Å; F130-F222 HydrophobicContact CE2-CE1 4.28Å; F130-F222 HydrophobicContact CE2-CZ 4.29Å; F130-F222 HydrophobicContact CG-CE2 4.38Å; F130-F222 HydrophobicContact CG-CZ 4.31Å
131E90.2Very high91.9Very high4 Ų440.5 Ų40.52%0.01920%0.201CC..Hα-helixtrans-54-51.1171.7-179.2-92.1172.900111.3F69 C127 A128 F133 L134 V135 W146F69-E131 HydrophobicContact CD2-CB 4.27Å; F69-E131 HydrophobicContact CD2-CG 4.09Å; F69-E131 HydrophobicContact CE2-CB 4.45Å; F69-E131 HydrophobicContact CE2-CG 4.41Å; C127-E131 PolarHBondContact O-N 3.34Å; C127-E131 VanDerWaalsContact O-N 3.11Å; A128-E131 WeakPolarHBondContact O-CB 3.39Å; A128-E131 PolarHBondContact O-N 2.65Å; E131-F133 VanDerWaalsContact C-N 3.28Å; E131-F133 PolarHBondContact O-N 3.1Å; E131-L134 PolarHBondContact O-N 2.95Å; E131-V135 HydrophobicContact CG-CG2 4.35Å; E131-V135 WeakPolarHBondContact O-CB 3.39Å; E131-V135 WeakPolarHBondContact O-CG2 3.47Å; E131-V135 PolarHBondContact O-N 3.07Å; E131-W146 HydrophobicContact CB-CH2 3.68Å; E131-W146 HydrophobicContact CB-CZ2 3.35Å; E131-W146 HydrophobicContact CG-CH2 3.96Å; E131-W146 HydrophobicContact CG-CZ2 3.14Å
132R89.7Confident91.3Very high95 Ų9541 Ų4136%0.35821%0.205SC..Hα-helixtrans-61.7-40.1-179.6-68-66.2-179.9-132.64.3111.6A128 S129 F130 I136 Y223A128-R132 WeakPolarHBondContact O-CG 3.27Å; A128-R132 PolarHBondContact O-N 3.38Å; S129-R132 PolarHBondContact O-N 3.43Å; F130-R132 VanDerWaalsContact C-N 3.33Å; F130-R132 PolarHBondContact O-N 2.99Å; R132-I136 HydrophobicContact CB-CD1 4.45Å; R132-I136 VanDerWaalsContact O-CB 3.26Å; R132-I136 WeakPolarHBondContact O-CB 3.24Å; R132-I136 VanDerWaalsContact O-CG1 3.31Å; R132-I136 WeakPolarHBondContact O-CG1 3.34Å; R132-I136 PolarHBondContact O-N 3.47Å; R132-Y223 HydrophobicContact CB-CE1 3.96Å; R132-Y223 HydrophobicContact CG-CE1 4.08Å
133F92.5Very high90.7Very high38 Ų3849.2 Ų49.217%0.16724%0.243CC..Hα-helixtrans-58.2-54.1174.3169.1-98.5000111.4S129 F130 E131 V135 I136 V137 L138 F222 T225 V226S129-F133 PolarHBondContact O-N 3.3Å; F130-F133 HydrophobicContact CD2-CD1 4.26Å; F130-F133 HydrophobicContact CE2-CD1 4.32Å; F130-F133 WeakPolarHBondContact O-CB 3.32Å; F130-F133 PolarHBondContact O-N 2.97Å; E131-F133 VanDerWaalsContact C-N 3.28Å; E131-F133 PolarHBondContact O-N 3.1Å; F133-V135 PolarHBondContact O-N 3.43Å; F133-I136 PolarHBondContact O-N 2.83Å; F133-V137 HydrophobicContact CD2-CB 4.13Å; F133-V137 HydrophobicContact CD2-CG2 3.72Å; F133-V137 HydrophobicContact CE2-CB 4.02Å; F133-V137 HydrophobicContact CE2-CG1 4.03Å; F133-V137 HydrophobicContact CE2-CG2 3.96Å; F133-V137 HydrophobicContact CZ-CG1 4.48Å; F133-V137 WeakPolarHBondContact O-CA 3.36Å; F133-V137 WeakPolarHBondContact O-CB 3.39Å; F133-V137 WeakPolarHBondContact O-CG2 3.26Å; F133-V137 PolarHBondContact O-N 3.39Å; F133-L138 HydrophobicContact CE1-CD1 4.04Å; F133-L138 HydrophobicContact CZ-CD1 4.24Å; F133-F222 HydrophobicContact CB-CB 4.04Å; F133-F222 HydrophobicContact CB-CD1 4.04Å; F133-F222 HydrophobicContact CB-CG 4.28Å; F133-F222 HydrophobicContact CD1-CD1 4.13Å; F133-F222 HydrophobicContact CD1-CE1 4.43Å; F133-F222 HydrophobicContact CD2-CD1 4.32Å; F133-F222 AromaticContact CG-CD1 3.89Å; F133-F222 HydrophobicContact CG-CD1 3.89Å; F133-T225 HydrophobicContact CD2-CG2 4.21Å; F133-T225 HydrophobicContact CE2-CG2 3.79Å; F133-V226 HydrophobicContact CB-CG2 4.14Å
134L90.8Very high90.1Very high29 Ų2957.1 Ų57.115%0.15227%0.272CS..Hα-helixtrans-61.8-48-178.5-72.5176.7000112.1F130 E131 I136 L138 W146F130-L134 HydrophobicContact CD1-CD1 4.04Å; F130-L134 HydrophobicContact CD2-CG 4.43Å; F130-L134 HydrophobicContact CE1-CD1 3.45Å; F130-L134 VanDerWaalsContact CE1-CD1 3.45Å; F130-L134 HydrophobicContact CE1-CG 4.27Å; F130-L134 HydrophobicContact CE2-CD1 4.04Å; F130-L134 HydrophobicContact CE2-CD2 4.25Å; F130-L134 HydrophobicContact CE2-CG 4Å; F130-L134 HydrophobicContact CZ-CD1 3.45Å; F130-L134 VanDerWaalsContact CZ-CD1 3.45Å; F130-L134 HydrophobicContact CZ-CD2 4.22Å; F130-L134 HydrophobicContact CZ-CG 3.92Å; F130-L134 PolarHBondContact O-N 3.08Å; E131-L134 PolarHBondContact O-N 2.95Å; L134-I136 PolarHBondContact O-N 3.43Å; L134-L138 HydrophobicContact CD2-CD1 4.09Å; L134-L138 CarbonylContact O-C 3.6Å; L134-L138 WeakPolarHBondContact O-CA 3.31Å; L134-L138 PolarHBondContact O-N 3.39Å; L134-W146 HydrophobicContact CD1-CE3 3.69Å; L134-W146 HydrophobicContact CD1-CH2 4.42Å; L134-W146 HydrophobicContact CD1-CZ3 3.38Å
135V87.4Confident89.5Confident55 Ų5561.5 Ų61.533%0.33329%0.294SS..Hα-helixtrans-64.6-40-176.4171.80000112.1E131 F133 A142E131-V135 HydrophobicContact CG-CG2 4.35Å; E131-V135 WeakPolarHBondContact O-CB 3.39Å; E131-V135 WeakPolarHBondContact O-CG2 3.47Å; E131-V135 PolarHBondContact O-N 3.07Å; F133-V135 PolarHBondContact O-N 3.43Å; V135-A142 HydrophobicContact CG2-CB 4.23Å
136I88.2Confident89.1Confident50 Ų5062.8 Ų62.826%0.25630%0.299SS..Hα-helixtrans-90.1-39.4-173.2-62.1170.6000111.8R132 F133 L134 V226 L230R132-I136 HydrophobicContact CB-CD1 4.45Å; R132-I136 VanDerWaalsContact O-CB 3.26Å; R132-I136 WeakPolarHBondContact O-CB 3.24Å; R132-I136 VanDerWaalsContact O-CG1 3.31Å; R132-I136 WeakPolarHBondContact O-CG1 3.34Å; R132-I136 PolarHBondContact O-N 3.47Å; F133-I136 PolarHBondContact O-N 2.83Å; L134-I136 PolarHBondContact O-N 3.43Å; I136-V226 HydrophobicContact CB-CG1 4.43Å; I136-V226 HydrophobicContact CD1-CG1 3.68Å; I136-V226 HydrophobicContact CG2-CG1 4.25Å; I136-L230 HydrophobicContact CG2-CD1 4.45Å; I136-L230 HydrophobicContact CG2-CD2 3.71Å; I136-L230 HydrophobicContact CG2-CG 3.93Å
137V91.2Very high88.7Confident22 Ų2264 Ų6413%0.13331%0.305CS..Hα-helixtrans-87.6-37.4-174.5-175.20000111.3F133 P139 T225 V226 R229F133-V137 HydrophobicContact CD2-CB 4.13Å; F133-V137 HydrophobicContact CD2-CG2 3.72Å; F133-V137 HydrophobicContact CE2-CB 4.02Å; F133-V137 HydrophobicContact CE2-CG1 4.03Å; F133-V137 HydrophobicContact CE2-CG2 3.96Å; F133-V137 HydrophobicContact CZ-CG1 4.48Å; F133-V137 WeakPolarHBondContact O-CA 3.36Å; F133-V137 WeakPolarHBondContact O-CB 3.39Å; F133-V137 WeakPolarHBondContact O-CG2 3.26Å; F133-V137 PolarHBondContact O-N 3.39Å; V137-P139 VanDerWaalsContact C-CD 3.41Å; V137-P139 VanDerWaalsContact O-CD 3.31Å; V137-P139 WeakPolarHBondContact O-CD 3.45Å; V137-T225 HydrophobicContact CG2-CG2 4.29Å; V137-V226 HydrophobicContact CG2-CG2 4.18Å; V137-R229 HydrophobicContact CG2-CB 4.3Å; V137-R229 HydrophobicContact CG2-CG 4.42Å
138L90.9Very high88.2Confident59 Ų5969.8 Ų69.831%0.30933%0.325SS..  trans-12460.1-172.3-56.3174.2000111.5F133 L134 F140 Q141 A142F133-L138 HydrophobicContact CE1-CD1 4.04Å; F133-L138 HydrophobicContact CZ-CD1 4.24Å; L134-L138 HydrophobicContact CD2-CD1 4.09Å; L134-L138 CarbonylContact O-C 3.6Å; L134-L138 WeakPolarHBondContact O-CA 3.31Å; L134-L138 PolarHBondContact O-N 3.39Å; L138-F140 VanDerWaalsContact C-N 3.33Å; L138-F140 PolarHBondContact O-N 3.35Å; L138-Q141 HydrophobicContact CB-CB 4.17Å; L138-Q141 VanDerWaalsContact CD1-OE1 3.23Å; L138-Q141 PolarHBondContact O-N 3.43Å; L138-A142 PolarHBondContact O-N 3.06Å
139P86.2Confident88.1Confident70 Ų7075.8 Ų75.846%0.45535%0.352SS..Hα-helixtrans-60.5-35.8-168.224.4-35.5000114.1V137 A142 H143V137-P139 VanDerWaalsContact C-CD 3.41Å; V137-P139 VanDerWaalsContact O-CD 3.31Å; V137-P139 WeakPolarHBondContact O-CD 3.45Å; P139-A142 PolarHBondContact O-N 3.46Å; P139-H143 WeakPolarHBondContact O-CB 3.37Å; P139-H143 PolarHBondContact O-N 2.92Å
140F87.2Confident87.9Confident184 Ų18478.5 Ų78.581%0.80737%0.368SS*.Hα-helixtrans-68.4-39.8177.4-64.8-66.2000112.4L138 H143 R144L138-F140 VanDerWaalsContact C-N 3.33Å; L138-F140 PolarHBondContact O-N 3.35Å; F140-H143 PolarHBondContact O-N 3.41Å; F140-R144 PolarHBondContact O-N 3.31Å
141Q88.1Confident87.8Confident97 Ų9775.2 Ų75.245%0.45335%0.354SS..Hα-helixtrans-69.5-42.9175.4-68.4-177.8-15.600110.5L138 H143 R144 L145L138-Q141 HydrophobicContact CB-CB 4.17Å; L138-Q141 VanDerWaalsContact CD1-OE1 3.23Å; L138-Q141 PolarHBondContact O-N 3.43Å; Q141-H143 VanDerWaalsContact C-N 3.29Å; Q141-H143 PolarHBondContact O-N 2.79Å; Q141-R144 PolarHBondContact O-N 3.09Å; Q141-R144 VanDerWaalsContact O-N 3.12Å; Q141-L145 HydrophobicContact CB-CD1 4.28Å; Q141-L145 VanDerWaalsContact O-CB 3.3Å; Q141-L145 WeakPolarHBondContact O-CB 3.33Å; Q141-L145 WeakPolarHBondContact O-CG 3.29Å; Q141-L145 PolarHBondContact O-N 3.09Å
142A84.7Confident87.8Confident11 Ų1176.5 Ų76.59%0.09137%0.368CS..Hα-helixtrans-58.9-41.3175.400000111.7V135 L138 P139 R144 W146V135-A142 HydrophobicContact CG2-CB 4.23Å; L138-A142 PolarHBondContact O-N 3.06Å; P139-A142 PolarHBondContact O-N 3.46Å; A142-R144 VanDerWaalsContact C-N 3.27Å; A142-R144 PolarHBondContact O-N 3.37Å; A142-W146 HydrophobicContact CB-CB 4.48Å; A142-W146 WeakPolarHBondContact O-CA 3.38Å; A142-W146 WeakPolarHBondContact O-CB 3.27Å; A142-W146 PolarHBondContact O-N 2.79Å
143H83.3Confident88Confident172 Ų17273.3 Ų73.380%0.79637%0.365SS*.Hα-helixtrans-60.7-36.4176.7-171.562.7000113P139 F140 Q141P139-H143 WeakPolarHBondContact O-CB 3.37Å; P139-H143 PolarHBondContact O-N 2.92Å; F140-H143 PolarHBondContact O-N 3.41Å; Q141-H143 VanDerWaalsContact C-N 3.29Å; Q141-H143 PolarHBondContact O-N 2.79Å
144R84.6Confident88.1Confident200 Ų20073.5 Ų73.576%0.75537%0.367SS*.Hα-helixtrans-82.8-41.6-179.9-166.4177.283.8-168.97.3113.4F140 Q141 A142F140-R144 PolarHBondContact O-N 3.31Å; Q141-R144 PolarHBondContact O-N 3.09Å; Q141-R144 VanDerWaalsContact O-N 3.12Å; A142-R144 VanDerWaalsContact C-N 3.27Å; A142-R144 PolarHBondContact O-N 3.37Å
145L83.1Confident88.3Confident93 Ų9373.3 Ų73.349%0.48737%0.366SS..Hα-helixtrans-98.5-25.6-167.8-60.1175.7000113Q141 T147 T150Q141-L145 HydrophobicContact CB-CD1 4.28Å; Q141-L145 VanDerWaalsContact O-CB 3.3Å; Q141-L145 WeakPolarHBondContact O-CB 3.33Å; Q141-L145 WeakPolarHBondContact O-CG 3.29Å; Q141-L145 PolarHBondContact O-N 3.09Å; L145-T147 PolarHBondContact O-N 3.45Å; L145-T150 PolarHBondContact O-OG1 3.23Å
146W85Confident88.7Confident34 Ų3475.7 Ų75.713%0.12938%0.376CS..  trans-91.188.7-172.2-153.6-93000111.7F69 F130 E131 L134 A142 S151 I154F69-W146 HydrophobicContact CD2-CZ2 4Å; F69-W146 HydrophobicContact CE2-CH2 4.01Å; F69-W146 AromaticContact CE2-CZ2 3.26Å; F69-W146 HydrophobicContact CE2-CZ2 3.26Å; F69-W146 HydrophobicContact CZ-CH2 4.05Å; F69-W146 AromaticContact CZ-CZ2 3.77Å; F69-W146 HydrophobicContact CZ-CZ2 3.77Å; F130-W146 HydrophobicContact CD1-CZ3 4.49Å; F130-W146 HydrophobicContact CE1-CZ3 4.44Å; E131-W146 HydrophobicContact CB-CH2 3.68Å; E131-W146 HydrophobicContact CB-CZ2 3.35Å; E131-W146 HydrophobicContact CG-CH2 3.96Å; E131-W146 HydrophobicContact CG-CZ2 3.14Å; L134-W146 HydrophobicContact CD1-CE3 3.69Å; L134-W146 HydrophobicContact CD1-CH2 4.42Å; L134-W146 HydrophobicContact CD1-CZ3 3.38Å; A142-W146 HydrophobicContact CB-CB 4.48Å; A142-W146 WeakPolarHBondContact O-CA 3.38Å; A142-W146 WeakPolarHBondContact O-CB 3.27Å; A142-W146 PolarHBondContact O-N 2.79Å; W146-S151 PolarHBondContact NE1-OG 3.2Å; W146-I154 HydrophobicContact CH2-CD1 3.85Å; W146-I154 HydrophobicContact CZ3-CD1 3.83Å
147T87Confident89.2Confident39 Ų3978.9 Ų78.924%0.23939%0.393CS..  trans-104.3176.5176.477.40000111.7L145 E149 T150 S151L145-T147 PolarHBondContact O-N 3.45Å; T147-E149 VanDerWaalsContact C-N 3.33Å; T147-E149 WeakPolarHBondContact CB-OE2 3.25Å; T147-E149 PolarHBondContact OG1-N 3.04Å; T147-E149 PolarHBondContact OG1-OE2 3.2Å; T147-T150 WeakPolarHBondContact CA-OG1 3.21Å; T147-T150 PolarHBondContact N-OG1 2.71Å; T147-T150 PolarHBondContact O-OG1 3.01Å; T147-T150 PolarHBondContact OG1-N 2.67Å; T147-T150 VanDerWaalsContact OG1-N 3.17Å; T147-T150 PolarHBondContact OG1-OG1 2.67Å; T147-S151 WeakPolarHBondContact O-CB 3.19Å; T147-S151 PolarHBondContact O-N 3.01Å; T147-S151 VanDerWaalsContact O-N 3.14Å; T147-S151 PolarHBondContact O-OG 3.06Å
148R84.7Confident89.4Confident139 Ų13978.6 Ų78.653%0.52539%0.391SS..Hα-helixtrans-72.2-36.5178.6-170.8-179.3169.8149.3-3.5110.3K65 L68 S151 G152K65-R148 HydrophobicContact CB-CB 4.47Å; K65-R148 HydrophobicContact CD-CB 4.16Å; K65-R148 HydrophobicContact CG-CB 4.02Å; L68-R148 HydrophobicContact CD1-CG 3.71Å; R148-S151 PolarHBondContact O-N 3.08Å; R148-G152 PolarHBondContact O-N 2.85Å
149E88.6Confident89.8Confident132 Ų13278.1 Ų78.162%0.61739%0.386SS*.Hα-helixtrans-69.5-44.2-178.7-56.269.5-147.500110T147 G152 G153T147-E149 VanDerWaalsContact C-N 3.33Å; T147-E149 WeakPolarHBondContact CB-OE2 3.25Å; T147-E149 PolarHBondContact OG1-N 3.04Å; T147-E149 PolarHBondContact OG1-OE2 3.2Å; E149-G152 PolarHBondContact O-N 3.23Å; E149-G153 PolarHBondContact O-N 3.43Å
150T89.4Confident90.3Very high56 Ų5679.8 Ų79.834%0.34439%0.39SS..Hα-helixtrans-64.9-43.217446.90000111.6L145 T147 G152 G153 I154L145-T150 PolarHBondContact O-OG1 3.23Å; T147-T150 WeakPolarHBondContact CA-OG1 3.21Å; T147-T150 PolarHBondContact N-OG1 2.71Å; T147-T150 PolarHBondContact O-OG1 3.01Å; T147-T150 PolarHBondContact OG1-N 2.67Å; T147-T150 VanDerWaalsContact OG1-N 3.17Å; T147-T150 PolarHBondContact OG1-OG1 2.67Å; T150-G152 PolarHBondContact O-N 3.37Å; T150-G153 PolarHBondContact O-N 3.05Å; T150-I154 VanDerWaalsContact O-CG1 3.28Å; T150-I154 WeakPolarHBondContact O-CG1 3.49Å; T150-I154 PolarHBondContact O-N 3.33Å
151S90.1Very high90.8Very high0 Ų073 Ų730%037%0.368CS..Hα-helixtrans-58.6-46.9173.6-62.40000111.9W146 T147 R148 I154 I155W146-S151 PolarHBondContact NE1-OG 3.2Å; T147-S151 WeakPolarHBondContact O-CB 3.19Å; T147-S151 PolarHBondContact O-N 3.01Å; T147-S151 VanDerWaalsContact O-N 3.14Å; T147-S151 PolarHBondContact O-OG 3.06Å; R148-S151 PolarHBondContact O-N 3.08Å; S151-I154 PolarHBondContact O-N 3.36Å; S151-I155 VanDerWaalsContact O-CG1 3.32Å; S151-I155 WeakPolarHBondContact O-CG1 3.13Å; S151-I155 PolarHBondContact O-N 3.26Å
152G91.6Very high91.3Very high31 Ų3168.3 Ų68.332%0.3235%0.346SS..Hα-helixtrans-64-40.717700000112.9R148 E149 T150 I155 L156R148-G152 PolarHBondContact O-N 2.85Å; E149-G152 PolarHBondContact O-N 3.23Å; T150-G152 PolarHBondContact O-N 3.37Å; G152-I155 PolarHBondContact O-N 3.41Å; G152-L156 WeakPolarHBondContact O-CB 3.25Å; G152-L156 PolarHBondContact O-N 2.94Å
153G94.1Very high91.9Very high28 Ų2871.7 Ų71.729%0.28936%0.359SS..Hα-helixtrans-64.1-43.217600000112.6E149 T150 L156 I157E149-G153 PolarHBondContact O-N 3.43Å; T150-G153 PolarHBondContact O-N 3.05Å; G153-L156 PolarHBondContact O-N 2.8Å; G153-I157 VanDerWaalsContact O-CG1 3.29Å; G153-I157 WeakPolarHBondContact O-CG1 3.37Å; G153-I157 PolarHBondContact O-N 3.19Å
154I94Very high92.5Very high43 Ų4370.8 Ų70.822%0.22135%0.353CS..Hα-helixtrans-61-46174.2-69.8167.7000110.4F69 C127 W146 T150 S151 L156 I157 C158F69-I154 HydrophobicContact CE1-CG2 4.11Å; F69-I154 HydrophobicContact CZ-CB 4.24Å; F69-I154 HydrophobicContact CZ-CG2 3.98Å; C127-I154 HydrophobicContact CB-CG2 4.28Å; C127-I154 WeakPolarHBondContact SG-CG2 3.23Å; W146-I154 HydrophobicContact CH2-CD1 3.85Å; W146-I154 HydrophobicContact CZ3-CD1 3.83Å; T150-I154 VanDerWaalsContact O-CG1 3.28Å; T150-I154 WeakPolarHBondContact O-CG1 3.49Å; T150-I154 PolarHBondContact O-N 3.33Å; S151-I154 PolarHBondContact O-N 3.36Å; I154-L156 PolarHBondContact O-N 3.11Å; I154-I157 PolarHBondContact O-N 3.38Å; I154-C158 WeakPolarHBondContact O-CB 3.44Å; I154-C158 PolarHBondContact O-N 2.75Å
155I95Very high93.1Very high24 Ų2461.8 Ų61.812%0.12332%0.32CS..Hα-helixtrans-59.5-48.7176.3-69.3165.5000109.9L68 F69 N72 S151 G152 I157 C158 W159L68-I155 HydrophobicContact CB-CD1 3.91Å; F69-I155 HydrophobicContact CD1-CD1 4.4Å; F69-I155 HydrophobicContact CD1-CG1 4.2Å; F69-I155 HydrophobicContact CE1-CD1 4.33Å; F69-I155 HydrophobicContact CE1-CG1 3.8Å; F69-I155 HydrophobicContact CZ-CD1 4.46Å; F69-I155 HydrophobicContact CZ-CG1 4.13Å; N72-I155 HydrophobicContact CB-CD1 4.07Å; N72-I155 HydrophobicContact CB-CG1 4.38Å; N72-I155 HydrophobicContact CB-CG2 4.48Å; N72-I155 WeakPolarHBondContact OD1-CG2 3.48Å; S151-I155 VanDerWaalsContact O-CG1 3.32Å; S151-I155 WeakPolarHBondContact O-CG1 3.13Å; S151-I155 PolarHBondContact O-N 3.26Å; G152-I155 PolarHBondContact O-N 3.41Å; I155-I157 VanDerWaalsContact C-N 3.34Å; I155-I157 PolarHBondContact O-N 3.06Å; I155-C158 WeakPolarHBondContact O-CA 3.27Å; I155-C158 WeakPolarHBondContact O-CB 3.37Å; I155-C158 PolarHBondContact O-N 2.9Å; I155-C158 VanDerWaalsContact O-N 3.09Å; I155-W159 PolarHBondContact O-N 3.32Å
156L96.4Very high93.7Very high106 Ų10657.3 Ų57.356%0.55530%0.297SS*.Hα-helixtrans-56.7-45.5178.618063000112.2G152 G153 I154 W159 L160G152-L156 WeakPolarHBondContact O-CB 3.25Å; G152-L156 PolarHBondContact O-N 2.94Å; G153-L156 PolarHBondContact O-N 2.8Å; I154-L156 PolarHBondContact O-N 3.11Å; L156-W159 PolarHBondContact O-N 3.41Å; L156-L160 HydrophobicContact CD1-CD1 4.46Å; L156-L160 HydrophobicContact CD1-CG 4.39Å; L156-L160 HydrophobicContact CG-CD1 4.22Å; L156-L160 WeakPolarHBondContact O-CG 3.37Å; L156-L160 PolarHBondContact O-N 3.23Å
157I97.3Very high94.2Very high117 Ų11758.4 Ų58.460%0.631%0.307SS*.Hα-helixtrans-61.9-45.2175.7-67.2164.1000110.7G153 I154 I155 W159 L160 A161G153-I157 VanDerWaalsContact O-CG1 3.29Å; G153-I157 WeakPolarHBondContact O-CG1 3.37Å; G153-I157 PolarHBondContact O-N 3.19Å; I154-I157 PolarHBondContact O-N 3.38Å; I155-I157 VanDerWaalsContact C-N 3.34Å; I155-I157 PolarHBondContact O-N 3.06Å; I157-W159 VanDerWaalsContact C-N 3.25Å; I157-W159 PolarHBondContact O-N 2.95Å; I157-L160 PolarHBondContact O-N 3.43Å; I157-A161 WeakPolarHBondContact O-CB 3.42Å; I157-A161 PolarHBondContact O-N 2.67Å
158C96.6Very high94.6Very high16 Ų1659 Ų5911%0.10831%0.308CS..Hα-helixtrans-56.7-40.1176.7-111.20000110.5F123 C127 I154 I155 A162F123-C158 HydrophobicContact CB-CB 4.43Å; F123-C158 PolarHBondContact O-SG 2.88Å; C127-C158 WeakPolarHBondContact CB-SG 3.42Å; C127-C158 WeakPolarHBondContact SG-CB 3.21Å; C127-C158 CovalentContact SG-SG 2.1Å; C127-C158 PolarHBondContact SG-SG 3.47Å; I154-C158 WeakPolarHBondContact O-CB 3.44Å; I154-C158 PolarHBondContact O-N 2.75Å; I155-C158 WeakPolarHBondContact O-CA 3.27Å; I155-C158 WeakPolarHBondContact O-CB 3.37Å; I155-C158 PolarHBondContact O-N 2.9Å; I155-C158 VanDerWaalsContact O-N 3.09Å; C158-A162 WeakPolarHBondContact O-CB 3.43Å; C158-A162 PolarHBondContact O-N 3.12Å
159W97.9Very high95Very high49 Ų4952.4 Ų52.419%0.18628%0.284CS..Hα-helixtrans-71.1-45.1176.3-82.768.2000113.9N72 F75 L79 V120 I155 L156 I157 A161 A162 F163N72-W159 PolarHBondContact OD1-NE1 3.26Å; F75-W159 AromaticContact CD1-CH2 3.78Å; F75-W159 HydrophobicContact CD1-CH2 3.78Å; F75-W159 AromaticContact CD1-CZ2 3.73Å; F75-W159 HydrophobicContact CD1-CZ2 3.73Å; F75-W159 AromaticContact CE1-CH2 3.56Å; F75-W159 HydrophobicContact CE1-CH2 3.56Å; F75-W159 AromaticContact CE1-CZ2 3.98Å; F75-W159 HydrophobicContact CE1-CZ2 3.98Å; L79-W159 HydrophobicContact CD1-CH2 3.49Å; L79-W159 VanDerWaalsContact CD1-CH2 3.49Å; L79-W159 HydrophobicContact CD1-CZ2 4.38Å; L79-W159 HydrophobicContact CD1-CZ3 4.19Å; V120-W159 HydrophobicContact CG1-CD2 4.03Å; V120-W159 HydrophobicContact CG1-CE3 4.4Å; V120-W159 HydrophobicContact CG1-CH2 3.88Å; V120-W159 HydrophobicContact CG1-CZ2 3.46Å; V120-W159 VanDerWaalsContact CG1-CZ2 3.46Å; V120-W159 HydrophobicContact CG1-CZ3 4.34Å; V120-W159 HydrophobicContact CG2-CD2 4.04Å; V120-W159 HydrophobicContact CG2-CE3 3.92Å; V120-W159 HydrophobicContact CG2-CZ3 4.17Å; I155-W159 PolarHBondContact O-N 3.32Å; L156-W159 PolarHBondContact O-N 3.41Å; I157-W159 VanDerWaalsContact C-N 3.25Å; I157-W159 PolarHBondContact O-N 2.95Å; W159-A161 VanDerWaalsContact C-N 3.31Å; W159-A161 PolarHBondContact O-N 2.73Å; W159-A162 WeakPolarHBondContact O-CB 3.21Å; W159-A162 PolarHBondContact O-N 3.38Å; W159-A162 VanDerWaalsContact O-N 3.15Å; W159-F163 HydrophobicContact CE3-CE1 4.18Å; W159-F163 AromaticContact CE3-CE2 3.83Å; W159-F163 HydrophobicContact CE3-CE2 3.83Å; W159-F163 AromaticContact CE3-CZ 3.44Å; W159-F163 HydrophobicContact CE3-CZ 3.44Å; W159-F163 VanDerWaalsContact CE3-CZ 3.44Å; W159-F163 HydrophobicContact CZ3-CE1 4.34Å; W159-F163 AromaticContact CZ3-CZ 3.73Å; W159-F163 HydrophobicContact CZ3-CZ 3.73Å; W159-F163 WeakPolarHBondContact O-CD2 3.19Å; W159-F163 WeakPolarHBondContact O-CG 3.47Å; W159-F163 PolarHBondContact O-N 3.09Å
160L98.2Very high95.3Very high104 Ų10447.9 Ų47.955%0.54527%0.266SS..Hα-helixtrans-61.3-42.3177.3-68.9174.1000111.2L156 I157 A162 F163 F164L156-L160 HydrophobicContact CD1-CD1 4.46Å; L156-L160 HydrophobicContact CD1-CG 4.39Å; L156-L160 HydrophobicContact CG-CD1 4.22Å; L156-L160 WeakPolarHBondContact O-CG 3.37Å; L156-L160 PolarHBondContact O-N 3.23Å; I157-L160 PolarHBondContact O-N 3.43Å; L160-A162 VanDerWaalsContact C-N 3.34Å; L160-F163 PolarHBondContact O-N 2.87Å; L160-F164 WeakPolarHBondContact O-CB 3.44Å; L160-F164 PolarHBondContact O-N 3.07Å
161A97Very high95.6Very high41 Ų4150.2 Ų50.234%0.33928%0.275SS..Hα-helixtrans-62.9-40.5173.800000111.9F123 I157 W159 F164 V165F123-A161 HydrophobicContact CD2-CB 4.22Å; F123-A161 HydrophobicContact CE2-CB 4.06Å; I157-A161 WeakPolarHBondContact O-CB 3.42Å; I157-A161 PolarHBondContact O-N 2.67Å; W159-A161 VanDerWaalsContact C-N 3.31Å; W159-A161 PolarHBondContact O-N 2.73Å; A161-F164 WeakPolarHBondContact O-CB 3.28Å; A161-F164 PolarHBondContact O-N 3.31Å; A161-V165 WeakPolarHBondContact O-CG2 3.32Å; A161-V165 PolarHBondContact O-N 3.23Å
162A97.8Very high95.7Very high0 Ų050.7 Ų50.70%028%0.278CS..Hα-helixtrans-64.8-42.8177.200000112.6A119 V120 F123 C158 W159 L160 F164 V165 G166A119-A162 HydrophobicContact CB-CB 3.62Å; V120-A162 HydrophobicContact CB-CB 4.21Å; V120-A162 HydrophobicContact CG2-CB 3.45Å; V120-A162 VanDerWaalsContact CG2-CB 3.45Å; F123-A162 HydrophobicContact CD2-CB 3.95Å; F123-A162 HydrophobicContact CE2-CB 4.36Å; C158-A162 WeakPolarHBondContact O-CB 3.43Å; C158-A162 PolarHBondContact O-N 3.12Å; W159-A162 WeakPolarHBondContact O-CB 3.21Å; W159-A162 PolarHBondContact O-N 3.38Å; W159-A162 VanDerWaalsContact O-N 3.15Å; L160-A162 VanDerWaalsContact C-N 3.34Å; A162-F164 VanDerWaalsContact C-N 3.33Å; A162-V165 PolarHBondContact O-N 2.98Å; A162-G166 PolarHBondContact O-N 2.97Å
163F97.8Very high95.7Very high82 Ų8250.1 Ų50.136%0.3627%0.268SS..Hα-helixtrans-66-36.8174.8-67.6-34.9000112.4F112 W159 L160 G166 T167F112-F163 HydrophobicContact CZ-CB 4.4Å; F112-F163 HydrophobicContact CZ-CD1 4.05Å; F112-F163 HydrophobicContact CZ-CG 4.46Å; W159-F163 HydrophobicContact CE3-CE1 4.18Å; W159-F163 AromaticContact CE3-CE2 3.83Å; W159-F163 HydrophobicContact CE3-CE2 3.83Å; W159-F163 AromaticContact CE3-CZ 3.44Å; W159-F163 HydrophobicContact CE3-CZ 3.44Å; W159-F163 VanDerWaalsContact CE3-CZ 3.44Å; W159-F163 HydrophobicContact CZ3-CE1 4.34Å; W159-F163 AromaticContact CZ3-CZ 3.73Å; W159-F163 HydrophobicContact CZ3-CZ 3.73Å; W159-F163 WeakPolarHBondContact O-CD2 3.19Å; W159-F163 WeakPolarHBondContact O-CG 3.47Å; W159-F163 PolarHBondContact O-N 3.09Å; L160-F163 PolarHBondContact O-N 2.87Å; F163-G166 CarbonylContact O-C 3.58Å; F163-G166 WeakPolarHBondContact O-CA 3.48Å; F163-G166 PolarHBondContact O-N 3.38Å; F163-G166 VanDerWaalsContact O-N 3.09Å; F163-T167 WeakPolarHBondContact O-CG2 3.2Å; F163-T167 PolarHBondContact O-N 3.06Å
164F97Very high95.6Very high152 Ų15250.8 Ų50.867%0.66727%0.265SS*.Hα-helixtrans-59.9-48.7173.1-177.3-98.6000111.4L160 A161 A162 G166 T167L160-F164 WeakPolarHBondContact O-CB 3.44Å; L160-F164 PolarHBondContact O-N 3.07Å; A161-F164 WeakPolarHBondContact O-CB 3.28Å; A161-F164 PolarHBondContact O-N 3.31Å; A162-F164 VanDerWaalsContact C-N 3.33Å; F164-G166 PolarHBondContact O-N 3.03Å; F164-T167 WeakPolarHBondContact O-CB 3.41Å; F164-T167 PolarHBondContact O-N 3Å; F164-T167 VanDerWaalsContact O-N 3.14Å; F164-T167 PolarHBondContact O-OG1 3.13Å
165V95.7Very high95.4Very high11 Ų1152.6 Ų52.67%0.06727%0.269CS..Hα-helixtrans-59.5-37.3172.1173.90000111.2M115 A119 F123 A161 A162 T167 L168 L211M115-V165 HydrophobicContact CE-CG1 4.34Å; A119-V165 HydrophobicContact CB-CB 4.39Å; A119-V165 HydrophobicContact CB-CG1 4.38Å; F123-V165 HydrophobicContact CE2-CG2 4.2Å; F123-V165 HydrophobicContact CZ-CG2 4.11Å; A161-V165 WeakPolarHBondContact O-CG2 3.32Å; A161-V165 PolarHBondContact O-N 3.23Å; A162-V165 PolarHBondContact O-N 2.98Å; V165-T167 VanDerWaalsContact C-N 3.26Å; V165-T167 PolarHBondContact O-N 3.16Å; V165-L168 VanDerWaalsContact O-CB 3.3Å; V165-L168 WeakPolarHBondContact O-CB 3.46Å; V165-L168 WeakPolarHBondContact O-CG 3.33Å; V165-L168 PolarHBondContact O-N 3.47Å; V165-L168 VanDerWaalsContact O-N 3.12Å; V165-L211 HydrophobicContact CG1-CD2 4.29Å
166G96.7Very high95Very high0 Ų052.3 Ų52.30%027%0.267CS..Hα-helixtrans-55.4-36174.800000114.3F112 S116 A162 F163 F164 L168 G169 P170F112-G166 VanDerWaalsContact CD2-C 3.47Å; F112-G166 WeakPolarHBondContact CD2-O 3.31Å; S116-G166 WeakPolarHBondContact OG-CA 3.26Å; A162-G166 PolarHBondContact O-N 2.97Å; F163-G166 CarbonylContact O-C 3.58Å; F163-G166 WeakPolarHBondContact O-CA 3.48Å; F163-G166 PolarHBondContact O-N 3.38Å; F163-G166 VanDerWaalsContact O-N 3.09Å; F164-G166 PolarHBondContact O-N 3.03Å; G166-L168 PolarHBondContact O-N 2.84Å; G166-L168 VanDerWaalsContact O-N 3.16Å; G166-G169 PolarHBondContact O-N 3.39Å; G166-P170 WeakPolarHBondContact O-CD 3.46Å
167T95.9Very high94.5Very high57 Ų5747.9 Ų47.935%0.3525%0.245SC..THydrogen-bonded Turntrans-62.7-20.3178.568.30000113.8F112 F163 F164 V165 G169 P170 I171F112-T167 HydrophobicContact CE2-CG2 4.21Å; F163-T167 WeakPolarHBondContact O-CG2 3.2Å; F163-T167 PolarHBondContact O-N 3.06Å; F164-T167 WeakPolarHBondContact O-CB 3.41Å; F164-T167 PolarHBondContact O-N 3Å; F164-T167 VanDerWaalsContact O-N 3.14Å; F164-T167 PolarHBondContact O-OG1 3.13Å; V165-T167 VanDerWaalsContact C-N 3.26Å; V165-T167 PolarHBondContact O-N 3.16Å; T167-G169 PolarHBondContact O-N 2.99Å; T167-P170 WeakPolarHBondContact O-CD 3.37Å; T167-I171 WeakPolarHBondContact O-CD1 3.32Å; T167-I171 WeakPolarHBondContact O-CG1 3.28Å
168L94.9Very high93.8Very high51 Ų5144.2 Ų44.227%0.26723%0.226SC..Hα-helixtrans-65.2-26.3173.3-59.9176.8000111.8V165 G166 I171 L172 V206V165-L168 VanDerWaalsContact O-CB 3.3Å; V165-L168 WeakPolarHBondContact O-CB 3.46Å; V165-L168 WeakPolarHBondContact O-CG 3.33Å; V165-L168 PolarHBondContact O-N 3.47Å; V165-L168 VanDerWaalsContact O-N 3.12Å; G166-L168 PolarHBondContact O-N 2.84Å; G166-L168 VanDerWaalsContact O-N 3.16Å; L168-I171 HydrophobicContact CD2-CD1 4.49Å; L168-I171 PolarHBondContact O-N 2.91Å; L168-L172 HydrophobicContact CB-CD1 4.2Å; L168-L172 WeakPolarHBondContact O-CB 3.36Å; L168-L172 WeakPolarHBondContact O-CD1 3.35Å; L168-L172 WeakPolarHBondContact O-CG 3.13Å; L168-L172 PolarHBondContact O-N 3.25Å; L168-L172 VanDerWaalsContact O-N 3.13Å; L168-V206 HydrophobicContact CD1-CG1 3.67Å
169G93.8Very high93.2Very high1 Ų145.3 Ų45.31%0.0123%0.23CC..Hα-helixtrans-56.2-63.5176.900000112.6G166 T167 I171 L172 V173G166-G169 PolarHBondContact O-N 3.39Å; T167-G169 PolarHBondContact O-N 2.99Å; G169-I171 PolarHBondContact O-N 2.96Å; G169-L172 PolarHBondContact O-N 3.37Å; G169-L172 VanDerWaalsContact O-N 3.07Å; G169-V173 WeakPolarHBondContact O-CB 3.45Å; G169-V173 PolarHBondContact O-N 2.91Å
170P94.9Very high92.5Very high37 Ų3743.9 Ų43.924%0.2423%0.225CC..Hα-helixtrans-54.4-30.3176-27.831.5000115.5A108 F112 G166 T167A108-P170 HydrophobicContact CB-CB 4.01Å; A108-P170 HydrophobicContact CB-CG 4.39Å; A108-P170 WeakPolarHBondContact O-CG 3.37Å; F112-P170 HydrophobicContact CB-CG 3.76Å; G166-P170 WeakPolarHBondContact O-CD 3.46Å; T167-P170 WeakPolarHBondContact O-CD 3.37Å
171I94.2Very high91.7Very high104 Ų10440.6 Ų40.653%0.53321%0.209SC..Hα-helixtrans-72.6-34.6179.9-65.2168.7000110.7T167 L168 G169T167-I171 WeakPolarHBondContact O-CD1 3.32Å; T167-I171 WeakPolarHBondContact O-CG1 3.28Å; L168-I171 HydrophobicContact CD2-CD1 4.49Å; L168-I171 PolarHBondContact O-N 2.91Å; G169-I171 PolarHBondContact O-N 2.96Å
172L93.4Very high91Very high10 Ų1040.4 Ų40.45%0.05220%0.202CC..Hα-helixtrans-100-17.7-171.3-60.1171.9000113.3L168 G169 V195 R196 Y199 T202 L203L168-L172 HydrophobicContact CB-CD1 4.2Å; L168-L172 WeakPolarHBondContact O-CB 3.36Å; L168-L172 WeakPolarHBondContact O-CD1 3.35Å; L168-L172 WeakPolarHBondContact O-CG 3.13Å; L168-L172 PolarHBondContact O-N 3.25Å; L168-L172 VanDerWaalsContact O-N 3.13Å; G169-L172 PolarHBondContact O-N 3.37Å; G169-L172 VanDerWaalsContact O-N 3.07Å; L172-V195 WeakPolarHBondContact O-CG1 3.38Å; L172-R196 WeakPolarHBondContact O-CB 3.45Å; L172-R196 PolarHBondContact O-N 3.12Å; L172-Y199 HydrophobicContact CD2-CD1 3.37Å; L172-Y199 HydrophobicContact CD2-CE1 4.08Å; L172-Y199 HydrophobicContact CD2-CG 3.84Å; L172-T202 HydrophobicContact CD2-CG2 4.49Å; L172-L203 HydrophobicContact CB-CD1 4.49Å; L172-L203 HydrophobicContact CD1-CB 4.08Å; L172-L203 HydrophobicContact CD1-CD1 3.67Å; L172-L203 HydrophobicContact CD1-CG 4.45Å
173V92Very high90.1Very high19 Ų1944.6 Ų44.612%0.11523%0.228CC..EExtended strand (participates in β ladder)trans-103.7139.7-179.5172.10000110.4C107 A111 G169 C193 G194C107-V173 HydrophobicContact CB-CG1 4.22Å; A111-V173 HydrophobicContact CB-CB 3.81Å; A111-V173 HydrophobicContact CB-CG1 4.13Å; A111-V173 HydrophobicContact CB-CG2 3.68Å; G169-V173 WeakPolarHBondContact O-CB 3.45Å; G169-V173 PolarHBondContact O-N 2.91Å; V173-C193 HydrophobicContact CG1-CB 4.29Å; V173-G194 CarbonylContact C-O 3.57Å; V173-G194 WeakPolarHBondContact CA-O 3.29Å; V173-G194 WeakPolarHBondContact CG1-O 3.32Å
174D90.5Very high89.4Confident43 Ų4351 Ų5123%0.2325%0.25CC..EExtended strand (participates in β ladder)trans-132.6162.3175.7-155.5-2.7000111.2Q176 G194 R196D174-Q176 PolarHBondContact O-N 3.36Å; D174-G194 PolarHBondContact N-O 3.39Å; D174-G194 PolarHBondContact O-N 2.92Å; D174-R196 HydrophobicContact CB-CB 4.42Å
175R90.5Very high88.6Confident81 Ų8154.5 Ų54.531%0.30626%0.259SS..EExtended strand (participates in β ladder)trans-75.8122.2170178-174.9174.7-178.34.3108.3R102 W104 Y191R102-R175 VanDerWaalsContact O-CD 3.29Å; R102-R175 WeakPolarHBondContact O-CD 3.24Å; R102-R175 VanDerWaalsContact O-CZ 3.24Å; R102-R175 PolarHBondContact O-NE 3.23Å; W104-R175 HydrophobicContact CB-CB 4.49Å; R175-Y191 HydrophobicContact CG-CD1 4.16Å; R175-Y191 VanDerWaalsContact CZ-CD1 3.43Å
176Q86.8Confident87.9Confident18 Ų1855.1 Ų55.18%0.08427%0.267CS..EExtended strand (participates in β ladder)trans-113.5161.4174.6-65.3-169.8-38.100110.1D174 Y191 Y192 V195D174-Q176 PolarHBondContact O-N 3.36Å; Q176-Y191 WeakPolarHBondContact O-CA 3.48Å; Q176-Y192 HydrophobicContact CB-CD1 4.28Å; Q176-Y192 HydrophobicContact CB-CD2 4.39Å; Q176-Y192 HydrophobicContact CB-CE1 3.69Å; Q176-Y192 HydrophobicContact CB-CE2 3.84Å; Q176-Y192 VanDerWaalsContact CB-CZ 3.47Å; Q176-Y192 PolarHBondContact N-O 2.98Å; Q176-Y192 PolarHBondContact O-N 3.34Å; Q176-Y192 PolarHBondContact OE1-OH 2.85Å; Q176-V195 PolarHBondContact NE2-O 3.36Å
177C86Confident87.2Confident13 Ų1360 Ų609%0.08829%0.29CS..EExtended strand (participates in β ladder)trans-136.4149.6175.364.20000112.7C13 I189 W190 Y191C13-C177 WeakPolarHBondContact CA-SG 3.41Å; C13-C177 HydrophobicContact CB-CB 4.13Å; C13-C177 WeakPolarHBondContact CB-O 3.35Å; C13-C177 WeakPolarHBondContact CB-SG 3.43Å; C13-C177 WeakPolarHBondContact SG-CB 3.39Å; C13-C177 CovalentContact SG-SG 2.04Å; C13-C177 PolarHBondContact SG-SG 3.36Å; C177-I189 HydrophobicContact CB-CG2 4.17Å; C177-W190 CarbonylContact C-O 3.57Å; C177-W190 WeakPolarHBondContact CA-O 3.5Å; C177-W190 WeakPolarHBondContact CB-O 3.43Å; C177-Y191 HydrophobicContact CB-CD1 3.52Å; C177-Y191 HydrophobicContact CB-CE1 3.63Å; C177-Y191 HydrophobicContact CB-CG 4.38Å
178I81.6Confident86.6Confident39 Ų3960.7 Ų60.720%0.229%0.289CS..EExtended strand (participates in β ladder)trans-118.7129.2169.8-68.9151.3000107Q15 L17 F180 I189 W190 Y192Q15-I178 HydrophobicContact CB-CG1 3.97Å; Q15-I178 HydrophobicContact CB-CG2 4.47Å; L17-I178 HydrophobicContact CD1-CG2 3.56Å; I178-F180 HydrophobicContact CG2-CD1 4.35Å; I178-I189 WeakPolarHBondContact O-CA 3.27Å; I178-W190 PolarHBondContact N-O 3.38Å; I178-W190 PolarHBondContact O-N 2.91Å; I178-Y192 HydrophobicContact CD1-CD1 4.12Å; I178-Y192 HydrophobicContact CD1-CE1 3.54Å; I178-Y192 HydrophobicContact CG1-CE1 3.72Å
179E84.5Confident86Confident40 Ų4061.5 Ų61.519%0.18729%0.293CS..EExtended strand (participates in β ladder)trans-101128.1172.7-177.8-175.1158.300107.9C13 Q15 K16 L17 H187 H188 I189C13-E179 HydrophobicContact CB-CB 4.12Å; Q15-E179 PolarHBondContact O-N 3.19Å; K16-E179 CarbonylContact C-O 3.56Å; K16-E179 VanDerWaalsContact CA-O 3.27Å; K16-E179 WeakPolarHBondContact CA-O 3.39Å; K16-E179 WeakPolarHBondContact CE-OE2 3.44Å; K16-E179 HydrophobicContact CG-CB 4.26Å; K16-E179 VanDerWaalsContact NZ-CD 3.29Å; K16-E179 IonicContact NZ-OE1 3.44Å; K16-E179 PolarHBondContact NZ-OE1 3.14Å; K16-E179 VanDerWaalsContact NZ-OE1 3.08Å; K16-E179 IonicContact NZ-OE2 2.93Å; K16-E179 PolarHBondContact NZ-OE2 3.48Å; L17-E179 PolarHBondContact N-O 3.03Å; E179-H187 VanDerWaalsContact CD-NE2 3.33Å; E179-H187 VanDerWaalsContact CG-NE2 3.29Å; E179-H187 WeakPolarHBondContact CG-NE2 3.37Å; E179-H187 IonicContact OE1-CD2 3.9Å; E179-H187 IonicContact OE1-CE1 3.46Å; E179-H187 PolarHBondContact OE1-CE1 3.26Å; E179-H187 IonicContact OE1-NE2 2.75Å; E179-H187 PolarHBondContact OE1-NE2 3.49Å; E179-H188 WeakPolarHBondContact CA-O 3.37Å; E179-I189 HydrophobicContact CG-CG1 4.29Å
180F82.7Confident85.4Confident19 Ų1965.4 Ų65.48%0.08331%0.307CS..EExtended strand (participates in β ladder)trans-143.9153.4177.168.1-88.3000113.4L17 V20 I178 H188 W190L17-F180 HydrophobicContact CB-CB 3.99Å; L17-F180 CarbonylContact O-C 3.58Å; L17-F180 WeakPolarHBondContact O-CA 3.23Å; L17-F180 VanDerWaalsContact O-CB 3.31Å; L17-F180 WeakPolarHBondContact O-CB 3.47Å; V20-F180 HydrophobicContact CB-CD2 4.4Å; V20-F180 HydrophobicContact CG2-CB 4.03Å; V20-F180 HydrophobicContact CG2-CD2 4.5Å; I178-F180 HydrophobicContact CG2-CD1 4.35Å; F180-H188 HydrophobicContact CD1-CB 4.22Å; F180-H188 HydrophobicContact CD2-CB 4.14Å; F180-H188 HydrophobicContact CE1-CB 3.76Å; F180-H188 HydrophobicContact CE2-CB 3.65Å; F180-H188 AromaticContact CE2-CD2 3.84Å; F180-H188 AromaticContact CE2-CG 3.95Å; F180-H188 HydrophobicContact CG-CB 4.41Å; F180-H188 HydrophobicContact CZ-CB 3.45Å; F180-H188 VanDerWaalsContact CZ-CB 3.45Å; F180-H188 PolarHBondContact N-O 3.06Å; F180-H188 PolarHBondContact O-N 3.4Å; F180-W190 HydrophobicContact CE1-CB 4.38Å; F180-W190 AromaticContact CE1-CD1 3.52Å; F180-W190 AromaticContact CE1-CD2 3.52Å; F180-W190 HydrophobicContact CE1-CD2 3.52Å; F180-W190 AromaticContact CE1-CE2 3.45Å; F180-W190 VanDerWaalsContact CE1-CE2 3.45Å; F180-W190 HydrophobicContact CE1-CE3 4.2Å; F180-W190 AromaticContact CE1-CG 3.58Å; F180-W190 HydrophobicContact CE1-CG 3.58Å; F180-W190 HydrophobicContact CE1-CZ2 4.09Å; F180-W190 AromaticContact CE1-NE1 3.42Å; F180-W190 AromaticContact CZ-CD1 3.95Å; F180-W190 AromaticContact CZ-CD2 3.94Å; F180-W190 HydrophobicContact CZ-CD2 3.94Å; F180-W190 AromaticContact CZ-CE2 3.35Å; F180-W190 HydrophobicContact CZ-CG 4.29Å; F180-W190 HydrophobicContact CZ-CH2 4.39Å; F180-W190 AromaticContact CZ-CZ2 3.61Å; F180-W190 HydrophobicContact CZ-CZ2 3.61Å; F180-W190 AromaticContact CZ-NE1 3.36Å
181T82.7Confident84.9Confident34 Ų3466.8 Ų66.821%0.20931%0.308CS..EExtended strand (participates in β ladder)trans-110121.1178.2-28.20000109L17 D18 N19 V20 G186L17-T181 PolarHBondContact O-N 3.41Å; D18-T181 PolarHBondContact OD1-OG1 3.28Å; D18-T181 VanDerWaalsContact OD1-OG1 3.11Å; N19-T181 PolarHBondContact N-O 3.5Å; V20-T181 PolarHBondContact N-O 3.03Å; T181-G186 CarbonylContact C-O 3.58Å; T181-G186 WeakPolarHBondContact CA-O 3.46Å
182D81.1Confident84.5Confident37 Ų3764.6 Ų64.620%0.19829%0.293CS..EExtended strand (participates in β ladder)trans-73170.1179.887.1-2.9000111.7R184 R185 G186 H188D182-R184 PolarHBondContact O-N 3.38Å; D182-R184 VanDerWaalsContact O-N 3.14Å; D182-R184 WeakPolarHBondContact OD1-CA 3.47Å; D182-R184 WeakPolarHBondContact OD1-CB 3.29Å; D182-R184 PolarHBondContact OD1-N 3.48Å; D182-R185 PolarHBondContact O-N 2.96Å; D182-R185 PolarHBondContact OD1-N 3.43Å; D182-G186 PolarHBondContact N-O 3.3Å; D182-G186 WeakPolarHBondContact OD1-CA 3.43Å; D182-G186 PolarHBondContact OD1-N 2.7Å; D182-H188 IonicContact OD2-NE2 2.72Å
183T78.6Confident84.3Confident88 Ų8865.9 Ų65.954%0.5430%0.303SS..THydrogen-bonded Turntrans-62.7-18.5178550000114.4R185T183-R185 VanDerWaalsContact C-N 3.34Å
184R83.3Confident84Confident218 Ų21865.3 Ų65.382%0.82330%0.301SS*.THydrogen-bonded Turntrans-94.910.3176.9-58.6-178.1-178-172.92.4112D182 G186D182-R184 PolarHBondContact O-N 3.38Å; D182-R184 VanDerWaalsContact O-N 3.14Å; D182-R184 WeakPolarHBondContact OD1-CA 3.47Å; D182-R184 WeakPolarHBondContact OD1-CB 3.29Å; D182-R184 PolarHBondContact OD1-N 3.48Å; R184-G186 PolarHBondContact O-N 3.02Å
185R80.3Confident84Confident225 Ų22564.6 Ų64.685%0.84930%0.298SS*.  trans63.421.6-175.8-54.2-178.1177.2180-1.3114.4D182 T183D182-R185 PolarHBondContact O-N 2.96Å; D182-R185 PolarHBondContact OD1-N 3.43Å; T183-R185 VanDerWaalsContact C-N 3.34Å
186G81.6Confident84Confident24 Ų2467 Ų6725%0.24731%0.307CS..  trans-70.5127.3165.700000110.4T181 D182 R184 H188T181-G186 CarbonylContact C-O 3.58Å; T181-G186 WeakPolarHBondContact CA-O 3.46Å; D182-G186 PolarHBondContact N-O 3.3Å; D182-G186 WeakPolarHBondContact OD1-CA 3.43Å; D182-G186 PolarHBondContact OD1-N 2.7Å; R184-G186 PolarHBondContact O-N 3.02Å; G186-H188 PolarHBondContact O-CD2 3.44Å; G186-H188 VanDerWaalsContact O-CD2 3.3Å
187H83.1Confident83.7Confident102 Ų10271.4 Ų71.447%0.47233%0.331SS..EExtended strand (participates in β ladder)trans-91.2126.5176.3-173-90.5000109.8E179E179-H187 VanDerWaalsContact CD-NE2 3.33Å; E179-H187 VanDerWaalsContact CG-NE2 3.29Å; E179-H187 WeakPolarHBondContact CG-NE2 3.37Å; E179-H187 IonicContact OE1-CD2 3.9Å; E179-H187 IonicContact OE1-CE1 3.46Å; E179-H187 PolarHBondContact OE1-CE1 3.26Å; E179-H187 IonicContact OE1-NE2 2.75Å; E179-H187 PolarHBondContact OE1-NE2 3.49Å
188H82.2Confident83.7Confident72 Ų7273.4 Ų73.433%0.33335%0.354SS..EExtended strand (participates in β ladder)trans-131138.2-175.7-62.1-78000111.2E179 F180 D182 G186E179-H188 WeakPolarHBondContact CA-O 3.37Å; F180-H188 HydrophobicContact CD1-CB 4.22Å; F180-H188 HydrophobicContact CD2-CB 4.14Å; F180-H188 HydrophobicContact CE1-CB 3.76Å; F180-H188 HydrophobicContact CE2-CB 3.65Å; F180-H188 AromaticContact CE2-CD2 3.84Å; F180-H188 AromaticContact CE2-CG 3.95Å; F180-H188 HydrophobicContact CG-CB 4.41Å; F180-H188 HydrophobicContact CZ-CB 3.45Å; F180-H188 VanDerWaalsContact CZ-CB 3.45Å; F180-H188 PolarHBondContact N-O 3.06Å; F180-H188 PolarHBondContact O-N 3.4Å; D182-H188 IonicContact OD2-NE2 2.72Å; G186-H188 PolarHBondContact O-CD2 3.44Å; G186-H188 VanDerWaalsContact O-CD2 3.3Å
189I82.7Confident84.2Confident68 Ų6876.4 Ų76.435%0.34936%0.364SS..EExtended strand (participates in β ladder)trans-120.6121.5172.9-57.6172.9000108.3C177 I178 E179 Y191C177-I189 HydrophobicContact CB-CG2 4.17Å; I178-I189 WeakPolarHBondContact O-CA 3.27Å; E179-I189 HydrophobicContact CG-CG1 4.29Å; I189-Y191 HydrophobicContact CG2-CE1 4.36Å; I189-Y191 HydrophobicContact CG2-CE2 3.91Å
190W81Confident84.5Confident83 Ų8379.2 Ų79.231%0.31437%0.372SS..EExtended strand (participates in β ladder)trans-111.2134178.8-74.715000110.7Y25 H99 C177 I178 F180Y25-W190 AromaticContact CE1-CH2 3.8Å; Y25-W190 HydrophobicContact CE1-CH2 3.8Å; Y25-W190 AromaticContact CE1-CZ3 3.76Å; Y25-W190 HydrophobicContact CE1-CZ3 3.76Å; Y25-W190 HydrophobicContact CE2-CH2 4.26Å; Y25-W190 AromaticContact CZ-CH2 3.4Å; Y25-W190 VanDerWaalsContact CZ-CH2 3.4Å; Y25-W190 AromaticContact CZ-CZ3 3.63Å; Y25-W190 WeakPolarHBondContact OH-CH2 3.44Å; Y25-W190 WeakPolarHBondContact OH-CZ3 3.38Å; H99-W190 HydrophobicContact CB-CB 4.26Å; H99-W190 HydrophobicContact CB-CD2 4.25Å; H99-W190 HydrophobicContact CB-CE3 4.48Å; H99-W190 HydrophobicContact CB-CG 4.16Å; C177-W190 CarbonylContact C-O 3.57Å; C177-W190 WeakPolarHBondContact CA-O 3.5Å; C177-W190 WeakPolarHBondContact CB-O 3.43Å; I178-W190 PolarHBondContact N-O 3.38Å; I178-W190 PolarHBondContact O-N 2.91Å; F180-W190 HydrophobicContact CE1-CB 4.38Å; F180-W190 AromaticContact CE1-CD1 3.52Å; F180-W190 AromaticContact CE1-CD2 3.52Å; F180-W190 HydrophobicContact CE1-CD2 3.52Å; F180-W190 AromaticContact CE1-CE2 3.45Å; F180-W190 VanDerWaalsContact CE1-CE2 3.45Å; F180-W190 HydrophobicContact CE1-CE3 4.2Å; F180-W190 AromaticContact CE1-CG 3.58Å; F180-W190 HydrophobicContact CE1-CG 3.58Å; F180-W190 HydrophobicContact CE1-CZ2 4.09Å; F180-W190 AromaticContact CE1-NE1 3.42Å; F180-W190 AromaticContact CZ-CD1 3.95Å; F180-W190 AromaticContact CZ-CD2 3.94Å; F180-W190 HydrophobicContact CZ-CD2 3.94Å; F180-W190 AromaticContact CZ-CE2 3.35Å; F180-W190 HydrophobicContact CZ-CG 4.29Å; F180-W190 HydrophobicContact CZ-CH2 4.39Å; F180-W190 AromaticContact CZ-CZ2 3.61Å; F180-W190 HydrophobicContact CZ-CZ2 3.61Å; F180-W190 AromaticContact CZ-NE1 3.36Å
191Y84.9Confident85Confident66 Ų6679.7 Ų79.726%0.25938%0.376SS..EExtended strand (participates in β ladder)trans-105.3134.6176.4-62.3-81.8000111H99 R102 R175 Q176 C177 I189H99-Y191 CarbonylContact O-C 3.55Å; H99-Y191 WeakPolarHBondContact O-CA 3.15Å; H99-Y191 WeakPolarHBondContact O-CB 3.48Å; H99-Y191 PolarHBondContact O-N 3.18Å; R102-Y191 PolarHBondContact NE-O 3.02Å; R102-Y191 VanDerWaalsContact NE-O 3.17Å; R175-Y191 HydrophobicContact CG-CD1 4.16Å; R175-Y191 VanDerWaalsContact CZ-CD1 3.43Å; Q176-Y191 WeakPolarHBondContact O-CA 3.48Å; C177-Y191 HydrophobicContact CB-CD1 3.52Å; C177-Y191 HydrophobicContact CB-CE1 3.63Å; C177-Y191 HydrophobicContact CB-CG 4.38Å; I189-Y191 HydrophobicContact CG2-CE1 4.36Å; I189-Y191 HydrophobicContact CG2-CE2 3.91Å
192Y84.8Confident85.5Confident57 Ų5781.1 Ų81.122%0.22439%0.385CS..EExtended strand (participates in β ladder)trans-140.6165.5178.768.2-79.3000110.6Q176 I178Q176-Y192 HydrophobicContact CB-CD1 4.28Å; Q176-Y192 HydrophobicContact CB-CD2 4.39Å; Q176-Y192 HydrophobicContact CB-CE1 3.69Å; Q176-Y192 HydrophobicContact CB-CE2 3.84Å; Q176-Y192 VanDerWaalsContact CB-CZ 3.47Å; Q176-Y192 PolarHBondContact N-O 2.98Å; Q176-Y192 PolarHBondContact O-N 3.34Å; Q176-Y192 PolarHBondContact OE1-OH 2.85Å; I178-Y192 HydrophobicContact CD1-CD1 4.12Å; I178-Y192 HydrophobicContact CD1-CE1 3.54Å; I178-Y192 HydrophobicContact CG1-CE1 3.72Å
193C88.8Confident86.1Confident38 Ų3879.7 Ų79.726%0.25738%0.377SS..EExtended strand (participates in β ladder)trans-95.3113.4178-54.50000108.5R102 C107 M110 V173R102-C193 VanDerWaalsContact CD-SG 3.55Å; C107-C193 WeakPolarHBondContact CA-SG 3.25Å; C107-C193 HydrophobicContact CB-CB 3.61Å; C107-C193 WeakPolarHBondContact CB-SG 3.38Å; C107-C193 WeakPolarHBondContact SG-CA 3.42Å; C107-C193 WeakPolarHBondContact SG-CB 3.32Å; C107-C193 CovalentContact SG-SG 2.03Å; C107-C193 PolarHBondContact SG-SG 2.93Å; M110-C193 HydrophobicContact CE-CB 4.24Å; M110-C193 WeakPolarHBondContact CE-SG 3.15Å; V173-C193 HydrophobicContact CG1-CB 4.29Å
194G87.2Confident86.8Confident6 Ų676.1 Ų76.16%0.06236%0.356CS..EExtended strand (participates in β ladder)trans-118.6158.6-177.700000111.1V173 D174V173-G194 CarbonylContact C-O 3.57Å; V173-G194 WeakPolarHBondContact CA-O 3.29Å; V173-G194 WeakPolarHBondContact CG1-O 3.32Å; D174-G194 PolarHBondContact N-O 3.39Å; D174-G194 PolarHBondContact O-N 2.92Å
195V89.5Confident87.4Confident28 Ų2870 Ų7017%0.1734%0.335CS..EExtended strand (participates in β ladder)trans-74.1134.5169.8-173.80000108L172 Q176 R200 L203L172-V195 WeakPolarHBondContact O-CG1 3.38Å; Q176-V195 PolarHBondContact NE2-O 3.36Å; V195-R200 HydrophobicContact CB-CG 3.83Å; V195-R200 HydrophobicContact CG1-CG 3.91Å; V195-L203 HydrophobicContact CG1-CB 4.44Å; V195-L203 HydrophobicContact CG1-CD2 4.1Å; V195-L203 HydrophobicContact CG2-CD2 3.59Å
196R89.8Confident88Confident131 Ų13160.3 Ų60.349%0.49430%0.301SS..PPolyproline II helixtrans-56.2142.9177.2-167.3174.4-173.6172.83.5110.5L172 D174 G198 Y199L172-R196 WeakPolarHBondContact O-CB 3.45Å; L172-R196 PolarHBondContact O-N 3.12Å; D174-R196 HydrophobicContact CB-CB 4.42Å; R196-G198 PolarHBondContact O-N 2.91Å; R196-Y199 HydrophobicContact CB-CD2 3.93Å; R196-Y199 HydrophobicContact CG-CD2 4.02Å; R196-Y199 HydrophobicContact CG-CE2 4.44Å; R196-Y199 WeakPolarHBondContact O-CB 3.33Å; R196-Y199 PolarHBondContact O-N 3.44Å
197D82Confident88.7Confident112 Ų11260.5 Ų60.560%0.59929%0.294SS*.THydrogen-bonded Turntrans-59.2138.1-176.9-59.5-38.7000111.3Y199D197-Y199 WeakPolarHBondContact O-CD2 3.42Å; D197-Y199 PolarHBondContact O-N 2.94Å
198G85.5Confident89.3Confident55 Ų5557.5 Ų57.557%0.56728%0.281SS*.THydrogen-bonded Turntrans77.5-7.3-173.500000115.8R196R196-G198 PolarHBondContact O-N 2.91Å
199Y92Very high90Very high102 Ų10257.7 Ų57.740%0.428%0.284SS..  trans-104.3-1.5-178.8-71.7-78.8000114.8L172 R196 D197 L201 T202 L203L172-Y199 HydrophobicContact CD2-CD1 3.37Å; L172-Y199 HydrophobicContact CD2-CE1 4.08Å; L172-Y199 HydrophobicContact CD2-CG 3.84Å; R196-Y199 HydrophobicContact CB-CD2 3.93Å; R196-Y199 HydrophobicContact CG-CD2 4.02Å; R196-Y199 HydrophobicContact CG-CE2 4.44Å; R196-Y199 WeakPolarHBondContact O-CB 3.33Å; R196-Y199 PolarHBondContact O-N 3.44Å; D197-Y199 WeakPolarHBondContact O-CD2 3.42Å; D197-Y199 PolarHBondContact O-N 2.94Å; Y199-L201 PolarHBondContact O-N 3.46Å; Y199-T202 HydrophobicContact CD1-CG2 4.43Å; Y199-T202 PolarHBondContact O-N 3.47Å; Y199-L203 WeakPolarHBondContact O-CB 3.31Å; Y199-L203 PolarHBondContact O-N 3.49Å
200R90.7Very high90.5Very high98 Ų9858.6 Ų58.637%0.3729%0.286SS..Hα-helixtrans-57.8-50.1178.1-71.7179.3-173.1-102-0.4111.7V195 T202 L203 S204 A313V195-R200 HydrophobicContact CB-CG 3.83Å; V195-R200 HydrophobicContact CG1-CG 3.91Å; R200-T202 PolarHBondContact O-N 2.92Å; R200-L203 PolarHBondContact O-N 3.4Å; R200-S204 WeakPolarHBondContact O-CB 3.46Å; R200-S204 PolarHBondContact O-N 3.31Å; R200-S204 PolarHBondContact O-OG 2.85Å; R200-S204 VanDerWaalsContact O-OG 3.12Å; R200-A313 HydrophobicContact CB-CB 4.09Å
201L92.3Very high91.2Very high29 Ų2954.7 Ų54.715%0.15227%0.271CS..Hα-helixtrans-63.9-43.2179.2-176.457.7000111.7Y199 S204 K205 V310 A313 E314 D317Y199-L201 PolarHBondContact O-N 3.46Å; L201-S204 PolarHBondContact O-N 3.48Å; L201-K205 HydrophobicContact CD1-CD 4.13Å; L201-K205 HydrophobicContact CD1-CG 4.26Å; L201-K205 HydrophobicContact CG-CD 4.1Å; L201-K205 WeakPolarHBondContact O-CB 3.34Å; L201-K205 WeakPolarHBondContact O-CG 3.36Å; L201-K205 PolarHBondContact O-N 2.83Å; L201-V310 HydrophobicContact CD1-CG1 4.26Å; L201-A313 HydrophobicContact CB-CB 4.06Å; L201-A313 HydrophobicContact CD1-CB 4.08Å; L201-E314 HydrophobicContact CD1-CG 3.45Å; L201-E314 VanDerWaalsContact CD1-CG 3.45Å; L201-E314 HydrophobicContact CD2-CG 4.35Å; L201-D317 WeakPolarHBondContact CB-OD2 3.41Å
202T93.4Very high91.8Very high65 Ų6552.4 Ų52.440%0.39926%0.262SS..Hα-helixtrans-59.4-49.2177.1-59.20000111.4L172 Y199 R200 K205 V206L172-T202 HydrophobicContact CD2-CG2 4.49Å; Y199-T202 HydrophobicContact CD1-CG2 4.43Å; Y199-T202 PolarHBondContact O-N 3.47Å; R200-T202 PolarHBondContact O-N 2.92Å; T202-K205 PolarHBondContact O-N 3.35Å; T202-V206 HydrophobicContact CG2-CG2 4.47Å; T202-V206 WeakPolarHBondContact O-CB 3.49Å; T202-V206 VanDerWaalsContact O-CG2 3.26Å; T202-V206 WeakPolarHBondContact O-CG2 3.43Å; T202-V206 PolarHBondContact O-N 3.32Å
203L93.9Very high92.4Very high6 Ų652.1 Ų52.13%0.03127%0.268CS..Hα-helixtrans-61.7-46.2178.2179.663.4000111.6M115 L172 V195 Y199 R200 K205 V206 R207M115-L203 HydrophobicContact CE-CD1 4.25Å; M115-L203 HydrophobicContact SD-CD1 4.28Å; L172-L203 HydrophobicContact CB-CD1 4.49Å; L172-L203 HydrophobicContact CD1-CB 4.08Å; L172-L203 HydrophobicContact CD1-CD1 3.67Å; L172-L203 HydrophobicContact CD1-CG 4.45Å; V195-L203 HydrophobicContact CG1-CB 4.44Å; V195-L203 HydrophobicContact CG1-CD2 4.1Å; V195-L203 HydrophobicContact CG2-CD2 3.59Å; Y199-L203 WeakPolarHBondContact O-CB 3.31Å; Y199-L203 PolarHBondContact O-N 3.49Å; R200-L203 PolarHBondContact O-N 3.4Å; L203-K205 PolarHBondContact O-N 3.22Å; L203-V206 PolarHBondContact O-N 2.88Å; L203-R207 HydrophobicContact CD1-CG 4.35Å; L203-R207 WeakPolarHBondContact O-CG 3.14Å; L203-R207 PolarHBondContact O-N 3.14Å
204S94.1Very high92.7Very high14 Ų1454.3 Ų54.310%0.09828%0.277CS..Hα-helixtrans-61-43.2178.2-64.20000111.7R200 L201 R207 L208 D309R200-S204 WeakPolarHBondContact O-CB 3.46Å; R200-S204 PolarHBondContact O-N 3.31Å; R200-S204 PolarHBondContact O-OG 2.85Å; R200-S204 VanDerWaalsContact O-OG 3.12Å; L201-S204 PolarHBondContact O-N 3.48Å; S204-R207 PolarHBondContact O-N 3.48Å; S204-L208 WeakPolarHBondContact O-CB 3.47Å; S204-L208 PolarHBondContact O-N 2.88Å; S204-D309 PolarHBondContact OG-O 3.44Å
205K94.7Very high93.1Very high88 Ų8854.1 Ų54.138%0.38328%0.275SS..Hα-helixtrans-66.3-43.3176.4-76.8179.4175.1169.70112.3L201 T202 L203 R207 L208 I209 V310L201-K205 HydrophobicContact CD1-CD 4.13Å; L201-K205 HydrophobicContact CD1-CG 4.26Å; L201-K205 HydrophobicContact CG-CD 4.1Å; L201-K205 WeakPolarHBondContact O-CB 3.34Å; L201-K205 WeakPolarHBondContact O-CG 3.36Å; L201-K205 PolarHBondContact O-N 2.83Å; T202-K205 PolarHBondContact O-N 3.35Å; L203-K205 PolarHBondContact O-N 3.22Å; K205-R207 VanDerWaalsContact C-N 3.33Å; K205-R207 PolarHBondContact O-N 2.1Å; K205-L208 PolarHBondContact O-N 3.03Å; K205-I209 WeakPolarHBondContact O-CB 3.36Å; K205-I209 VanDerWaalsContact O-CG1 3.27Å; K205-I209 WeakPolarHBondContact O-CG1 3.36Å; K205-I209 PolarHBondContact O-N 3.46Å; K205-V310 HydrophobicContact CG-CG2 4.35Å
206V94.3Very high93.5Very high23 Ų2354.6 Ų54.614%0.13927%0.274CS..Hα-helixtrans-57.9-47.7175.4164.10000110.4M115 L168 T202 L203 I209 F210M115-V206 HydrophobicContact CE-CG1 4.38Å; L168-V206 HydrophobicContact CD1-CG1 3.67Å; T202-V206 HydrophobicContact CG2-CG2 4.47Å; T202-V206 WeakPolarHBondContact O-CB 3.49Å; T202-V206 VanDerWaalsContact O-CG2 3.26Å; T202-V206 WeakPolarHBondContact O-CG2 3.43Å; T202-V206 PolarHBondContact O-N 3.32Å; L203-V206 PolarHBondContact O-N 2.88Å; V206-I209 PolarHBondContact O-N 3.31Å; V206-F210 HydrophobicContact CG1-CD2 4.07Å; V206-F210 WeakPolarHBondContact O-CB 3.35Å; V206-F210 PolarHBondContact O-N 3.48Å
207R95.8Very high93.9Very high28 Ų2850.9 Ų50.911%0.10627%0.272CS..Hα-helixtrans-60.2-47.6176.3-71176.4166.4-179.1-9.9111.1E114 M115 L203 S204 K205 I209 L211 L306E114-R207 IonicContact OE1-NH2 2.98Å; E114-R207 PolarHBondContact OE1-NH2 2.96Å; E114-R207 IonicContact OE2-NH2 3.96Å; E114-R207 PolarHBondContact OE2-NH2 3.47Å; M115-R207 HydrophobicContact CE-CG 4.02Å; M115-R207 HydrophobicContact SD-CG 3.82Å; M115-R207 PolarHBondContact SD-NE 2.96Å; L203-R207 HydrophobicContact CD1-CG 4.35Å; L203-R207 WeakPolarHBondContact O-CG 3.14Å; L203-R207 PolarHBondContact O-N 3.14Å; S204-R207 PolarHBondContact O-N 3.48Å; K205-R207 VanDerWaalsContact C-N 3.33Å; K205-R207 PolarHBondContact O-N 2.1Å; R207-I209 VanDerWaalsContact C-N 3.34Å; R207-I209 PolarHBondContact O-N 3.17Å; R207-L211 HydrophobicContact CB-CD1 4.17Å; R207-L211 HydrophobicContact CG-CD1 3.97Å; R207-L211 WeakPolarHBondContact O-CA 3.39Å; R207-L211 WeakPolarHBondContact O-CB 3.35Å; R207-L211 PolarHBondContact O-N 2.89Å; R207-L306 HydrophobicContact CB-CD2 3.66Å
208L96.6Very high94.6Very high38 Ų3849.2 Ų49.220%0.19926%0.262CS..Hα-helixtrans-60.8-39.9178.5-178.366.5000113S204 K205 F212 S213 L306 V310S204-L208 WeakPolarHBondContact O-CB 3.47Å; S204-L208 PolarHBondContact O-N 2.88Å; K205-L208 PolarHBondContact O-N 3.03Å; L208-F212 HydrophobicContact CD1-CD1 4.1Å; L208-F212 WeakPolarHBondContact O-CB 3.27Å; L208-S213 WeakPolarHBondContact O-CB 3.38Å; L208-S213 PolarHBondContact O-N 3.17Å; L208-S213 PolarHBondContact O-OG 3.36Å; L208-L306 HydrophobicContact CB-CB 4.4Å; L208-L306 HydrophobicContact CD1-CB 3.71Å; L208-V310 HydrophobicContact CB-CG2 4.29Å; L208-V310 HydrophobicContact CD2-CG2 4.02Å
209I95.6Very high95.1Very high76 Ų7646.6 Ų46.639%0.3924%0.235SC..Iπ-helixtrans-77.1-55.8-176.7-67.5166.9000110.8K205 V206 R207 S213 I214K205-I209 WeakPolarHBondContact O-CB 3.36Å; K205-I209 VanDerWaalsContact O-CG1 3.27Å; K205-I209 WeakPolarHBondContact O-CG1 3.36Å; K205-I209 PolarHBondContact O-N 3.46Å; V206-I209 PolarHBondContact O-N 3.31Å; R207-I209 VanDerWaalsContact C-N 3.34Å; R207-I209 PolarHBondContact O-N 3.17Å; I209-S213 PolarHBondContact O-N 2.96Å; I209-I214 HydrophobicContact CG2-CD1 3.77Å; I209-I214 HydrophobicContact CG2-CG1 4.24Å; I209-I214 PolarHBondContact O-N 3.35Å
210F94.6Very high95.3Very high88 Ų8846.1 Ų46.139%0.38624%0.238SC..Iπ-helixtrans-84.5-30.8-170.5-71.7-77.8000113.6F123 V206 I214 P215F123-F210 WeakPolarHBondContact CE1-O 3.17Å; V206-F210 HydrophobicContact CG1-CD2 4.07Å; V206-F210 WeakPolarHBondContact O-CB 3.35Å; V206-F210 PolarHBondContact O-N 3.48Å; F210-I214 HydrophobicContact CD1-CD1 4.36Å; F210-I214 HydrophobicContact CE1-CD1 4.41Å; F210-P215 WeakPolarHBondContact O-CD 3.34Å; F210-P215 WeakPolarHBondContact O-CG 3.49Å
211L95.5Very high95.6Very high0 Ų045.8 Ų45.80%025%0.246CC..Iπ-helixtrans-98.5-2.4-178-48.6179.9000112.8M115 Q118 A119 V122 V165 R207M115-L211 HydrophobicContact CE-CD1 4.35Å; M115-L211 HydrophobicContact SD-CD1 4.27Å; Q118-L211 HydrophobicContact CB-CD1 3.99Å; A119-L211 HydrophobicContact CB-CD2 3.74Å; V122-L211 HydrophobicContact CG2-CB 4.48Å; V122-L211 WeakPolarHBondContact CG2-O 3.29Å; V165-L211 HydrophobicContact CG1-CD2 4.29Å; R207-L211 HydrophobicContact CB-CD1 4.17Å; R207-L211 HydrophobicContact CG-CD1 3.97Å; R207-L211 WeakPolarHBondContact O-CA 3.39Å; R207-L211 WeakPolarHBondContact O-CB 3.35Å; R207-L211 PolarHBondContact O-N 2.89Å
212F96.9Very high95.8Very high19 Ų1946.2 Ų46.28%0.08325%0.247CC..Iπ-helixtrans-142.4-63178.3179.8-98000114L208 I214 P215 F216 F298 F299 W302 S303 L306L208-F212 HydrophobicContact CD1-CD1 4.1Å; L208-F212 WeakPolarHBondContact O-CB 3.27Å; F212-I214 PolarHBondContact O-N 2.95Å; F212-P215 WeakPolarHBondContact O-CD 3.45Å; F212-F216 HydrophobicContact CE2-CB 4.48Å; F212-F216 HydrophobicContact CE2-CG 4.42Å; F212-F216 HydrophobicContact CZ-CD1 4.34Å; F212-F216 HydrophobicContact CZ-CG 4.33Å; F212-F216 WeakPolarHBondContact O-CA 3.38Å; F212-F216 WeakPolarHBondContact O-CB 3.47Å; F212-F216 PolarHBondContact O-N 3.48Å; F212-F298 HydrophobicContact CD2-CD1 4.22Å; F212-F298 AromaticContact CD2-CE1 3.57Å; F212-F298 HydrophobicContact CD2-CE1 3.57Å; F212-F298 HydrophobicContact CD2-CZ 4.32Å; F212-F298 HydrophobicContact CE2-CD1 4.15Å; F212-F298 AromaticContact CE2-CE1 3.93Å; F212-F298 HydrophobicContact CE2-CE1 3.93Å; F212-F299 HydrophobicContact CE2-CD2 4.34Å; F212-F299 AromaticContact CZ-CD2 3.72Å; F212-F299 HydrophobicContact CZ-CD2 3.72Å; F212-F299 HydrophobicContact CZ-CE2 4.03Å; F212-W302 HydrophobicContact CD2-CB 3.9Å; F212-W302 HydrophobicContact CE2-CB 4.34Å; F212-S303 VanDerWaalsContact CZ-CB 3.46Å; F212-L306 HydrophobicContact CB-CD1 3.29Å; F212-L306 HydrophobicContact CD2-CD1 4.35Å; F212-L306 HydrophobicContact CG-CD1 3.92Å
213S96.8Very high95.9Very high50 Ų5043.9 Ų43.935%0.3523%0.231SC..Iπ-helixtrans-62.7-51.1-166.5-55.60000112.9L208 I209 A217L208-S213 WeakPolarHBondContact O-CB 3.38Å; L208-S213 PolarHBondContact O-N 3.17Å; L208-S213 PolarHBondContact O-OG 3.36Å; I209-S213 PolarHBondContact O-N 2.96Å; S213-A217 VanDerWaalsContact O-CB 3.28Å; S213-A217 WeakPolarHBondContact O-CB 3.36Å; S213-A217 PolarHBondContact O-N 2.89Å; S213-A217 VanDerWaalsContact O-N 3.09Å
214I95.8Very high96Very high84 Ų8445.3 Ų45.343%0.43125%0.247SC..Hα-helixtrans-65.8-52178.7-65169.3000110.8I209 F210 F212 F216 A217 L218I209-I214 HydrophobicContact CG2-CD1 3.77Å; I209-I214 HydrophobicContact CG2-CG1 4.24Å; I209-I214 PolarHBondContact O-N 3.35Å; F210-I214 HydrophobicContact CD1-CD1 4.36Å; F210-I214 HydrophobicContact CE1-CD1 4.41Å; F212-I214 PolarHBondContact O-N 2.95Å; I214-F216 PolarHBondContact O-N 2.94Å; I214-A217 PolarHBondContact O-N 2.82Å; I214-L218 HydrophobicContact CG2-CD1 4.17Å; I214-L218 WeakPolarHBondContact O-CG 3.47Å; I214-L218 PolarHBondContact O-N 3.09Å; I214-L218 VanDerWaalsContact O-N 3.09Å
215P96.4Very high96.1Very high3 Ų346.9 Ų46.92%0.01926%0.257CS..Hα-helixtrans-64.3-39.9-178.6-26.239000113.6V122 F123 A126 F210 F212 L218 M219V122-P215 HydrophobicContact CG1-CB 3.23Å; V122-P215 HydrophobicContact CG1-CG 3.36Å; F123-P215 HydrophobicContact CD1-CG 4.27Å; F123-P215 HydrophobicContact CE1-CG 4.15Å; A126-P215 HydrophobicContact CB-CB 4.46Å; F210-P215 WeakPolarHBondContact O-CD 3.34Å; F210-P215 WeakPolarHBondContact O-CG 3.49Å; F212-P215 WeakPolarHBondContact O-CD 3.45Å; P215-L218 PolarHBondContact O-N 3.35Å; P215-M219 WeakPolarHBondContact O-CB 3.4Å; P215-M219 VanDerWaalsContact O-CG 3.27Å; P215-M219 WeakPolarHBondContact O-CG 3.48Å; P215-M219 PolarHBondContact O-N 3.39Å
216F97Very high96.1Very high37 Ų3742.7 Ų42.716%0.16224%0.238CC..Hα-helixtrans-64.1-43.2177.8-175.4-111.9000111.5F212 I214 L218 M219 M220 L295 F298 F299F212-F216 HydrophobicContact CE2-CB 4.48Å; F212-F216 HydrophobicContact CE2-CG 4.42Å; F212-F216 HydrophobicContact CZ-CD1 4.34Å; F212-F216 HydrophobicContact CZ-CG 4.33Å; F212-F216 WeakPolarHBondContact O-CA 3.38Å; F212-F216 WeakPolarHBondContact O-CB 3.47Å; F212-F216 PolarHBondContact O-N 3.48Å; I214-F216 PolarHBondContact O-N 2.94Å; F216-L218 VanDerWaalsContact C-N 3.34Å; F216-L218 PolarHBondContact O-N 2.98Å; F216-M219 PolarHBondContact O-N 3.35Å; F216-M220 HydrophobicContact CD1-CG 4.14Å; F216-M220 HydrophobicContact CD2-CG 4.43Å; F216-M220 HydrophobicContact CE1-CG 3.77Å; F216-M220 HydrophobicContact CE1-SD 4.4Å; F216-M220 HydrophobicContact CE2-CG 4.1Å; F216-M220 HydrophobicContact CE2-SD 4.37Å; F216-M220 HydrophobicContact CG-CG 4.46Å; F216-M220 HydrophobicContact CZ-CG 3.76Å; F216-M220 HydrophobicContact CZ-SD 3.93Å; F216-M220 WeakPolarHBondContact O-CB 3.22Å; F216-M220 VanDerWaalsContact O-CG 3.3Å; F216-M220 WeakPolarHBondContact O-CG 3.21Å; F216-M220 PolarHBondContact O-N 3.36Å; F216-L295 HydrophobicContact CE2-CD2 4.37Å; F216-F298 HydrophobicContact CB-CD1 4.35Å; F216-F298 HydrophobicContact CB-CE1 3.98Å; F216-F298 AromaticContact CD2-CD1 3.63Å; F216-F298 HydrophobicContact CD2-CD1 3.63Å; F216-F298 HydrophobicContact CD2-CE1 4.14Å; F216-F298 HydrophobicContact CE2-CD1 4.42Å; F216-F298 HydrophobicContact CG-CD1 4.39Å; F216-F298 HydrophobicContact CG-CE1 4.49Å; F216-F299 AromaticContact CE1-CD2 3.86Å; F216-F299 HydrophobicContact CE1-CD2 3.86Å; F216-F299 HydrophobicContact CE1-CE2 4.47Å; F216-F299 HydrophobicContact CE2-CB 3.88Å; F216-F299 HydrophobicContact CE2-CD2 4.21Å; F216-F299 HydrophobicContact CZ-CB 4Å; F216-F299 AromaticContact CZ-CD2 3.65Å; F216-F299 HydrophobicContact CZ-CD2 3.65Å; F216-F299 HydrophobicContact CZ-CG 4.19Å
217A97.5Very high96.1Very high53 Ų5342.5 Ų42.544%0.43824%0.237SC..Hα-helixtrans-59.9-44.6175.600000111.5S213 I214 M220 V221S213-A217 VanDerWaalsContact O-CB 3.28Å; S213-A217 WeakPolarHBondContact O-CB 3.36Å; S213-A217 PolarHBondContact O-N 2.89Å; S213-A217 VanDerWaalsContact O-N 3.09Å; I214-A217 PolarHBondContact O-N 2.82Å; A217-M220 PolarHBondContact O-N 3.35Å; A217-V221 WeakPolarHBondContact O-CG2 3.35Å; A217-V221 PolarHBondContact O-N 3.44Å
218L96.7Very high96.1Very high77 Ų7747.9 Ų47.940%0.40326%0.258SS..Hα-helixtrans-61.6-47.4175.6-70.7174.2000111.9I214 P215 F216 M220 V221 F222I214-L218 HydrophobicContact CG2-CD1 4.17Å; I214-L218 WeakPolarHBondContact O-CG 3.47Å; I214-L218 PolarHBondContact O-N 3.09Å; I214-L218 VanDerWaalsContact O-N 3.09Å; P215-L218 PolarHBondContact O-N 3.35Å; F216-L218 VanDerWaalsContact C-N 3.34Å; F216-L218 PolarHBondContact O-N 2.98Å; L218-M220 VanDerWaalsContact C-N 3.32Å; L218-M220 PolarHBondContact O-N 2.97Å; L218-V221 PolarHBondContact O-N 3.1Å; L218-F222 HydrophobicContact CB-CD2 4.36Å; L218-F222 HydrophobicContact CB-CE2 4.05Å; L218-F222 HydrophobicContact CD2-CE2 4.31Å; L218-F222 HydrophobicContact CD2-CZ 4.41Å; L218-F222 WeakPolarHBondContact O-CD2 3.48Å; L218-F222 WeakPolarHBondContact O-CG 3.29Å; L218-F222 PolarHBondContact O-N 2.89Å
219M95.7Very high95.9Very high0 Ų051.3 Ų51.30%027%0.268CS..Hα-helixtrans-61.1-40.9177.9-71.4176.270.200111.6Q125 A126 P215 F216 F222 Y223 V294 L295Q125-M219 HydrophobicContact CB-CE 4Å; Q125-M219 HydrophobicContact CB-SD 4.07Å; A126-M219 HydrophobicContact CB-CG 4.32Å; P215-M219 WeakPolarHBondContact O-CB 3.4Å; P215-M219 VanDerWaalsContact O-CG 3.27Å; P215-M219 WeakPolarHBondContact O-CG 3.48Å; P215-M219 PolarHBondContact O-N 3.39Å; F216-M219 PolarHBondContact O-N 3.35Å; M219-F222 PolarHBondContact O-N 3.38Å; M219-Y223 HydrophobicContact CE-CE2 4.03Å; M219-Y223 VanDerWaalsContact O-CB 3.31Å; M219-Y223 WeakPolarHBondContact O-CB 3.42Å; M219-Y223 PolarHBondContact O-N 3.42Å; M219-V294 HydrophobicContact CE-CG1 4.17Å; M219-L295 HydrophobicContact CB-CD2 3.72Å; M219-L295 HydrophobicContact CE-CD2 4.47Å
220M97Very high95.6Very high93 Ų9348.5 Ų48.546%0.45825%0.254SS..Hα-helixtrans-61.1-44.5175.6-79.6-68-69.100111.9F216 A217 L218 G224 L295F216-M220 HydrophobicContact CD1-CG 4.14Å; F216-M220 HydrophobicContact CD2-CG 4.43Å; F216-M220 HydrophobicContact CE1-CG 3.77Å; F216-M220 HydrophobicContact CE1-SD 4.4Å; F216-M220 HydrophobicContact CE2-CG 4.1Å; F216-M220 HydrophobicContact CE2-SD 4.37Å; F216-M220 HydrophobicContact CG-CG 4.46Å; F216-M220 HydrophobicContact CZ-CG 3.76Å; F216-M220 HydrophobicContact CZ-SD 3.93Å; F216-M220 WeakPolarHBondContact O-CB 3.22Å; F216-M220 VanDerWaalsContact O-CG 3.3Å; F216-M220 WeakPolarHBondContact O-CG 3.21Å; F216-M220 PolarHBondContact O-N 3.36Å; A217-M220 PolarHBondContact O-N 3.35Å; L218-M220 VanDerWaalsContact C-N 3.32Å; L218-M220 PolarHBondContact O-N 2.97Å; M220-G224 VanDerWaalsContact O-CA 3.26Å; M220-G224 WeakPolarHBondContact O-CA 3.3Å; M220-G224 PolarHBondContact O-N 2.99Å; M220-L295 HydrophobicContact CG-CD2 4.29Å; M220-L295 HydrophobicContact SD-CD1 3.79Å; M220-L295 HydrophobicContact SD-CD2 4.07Å; M220-L295 HydrophobicContact SD-CG 4.37Å
221V97.5Very high95.5Very high90 Ų9051.2 Ų51.255%0.54526%0.262SS..Hα-helixtrans-63.9-50.6176.8171.30000110.9A217 L218 T225A217-V221 WeakPolarHBondContact O-CG2 3.35Å; A217-V221 PolarHBondContact O-N 3.44Å; L218-V221 PolarHBondContact O-N 3.1Å; V221-T225 WeakPolarHBondContact O-CB 3.33Å; V221-T225 PolarHBondContact O-N 3.09Å; V221-T225 PolarHBondContact O-OG1 3.12Å
222F96.6Very high95.3Very high38 Ų3856.8 Ų56.817%0.16728%0.283CS..Hα-helixtrans-66.2-54.7-176.6-65.4-41.1000112S129 F130 F133 L218 M219 T225 V226S129-F222 WeakPolarHBondContact OG-CD2 3.36Å; F130-F222 HydrophobicContact CB-CD2 4.12Å; F130-F222 HydrophobicContact CB-CE2 3.92Å; F130-F222 HydrophobicContact CB-CZ 4.33Å; F130-F222 HydrophobicContact CD2-CD1 4.25Å; F130-F222 AromaticContact CD2-CE1 3.69Å; F130-F222 HydrophobicContact CD2-CE1 3.69Å; F130-F222 HydrophobicContact CD2-CE2 4.03Å; F130-F222 AromaticContact CD2-CZ 3.56Å; F130-F222 HydrophobicContact CD2-CZ 3.56Å; F130-F222 HydrophobicContact CE2-CE1 4.28Å; F130-F222 HydrophobicContact CE2-CZ 4.29Å; F130-F222 HydrophobicContact CG-CE2 4.38Å; F130-F222 HydrophobicContact CG-CZ 4.31Å; F133-F222 HydrophobicContact CB-CB 4.04Å; F133-F222 HydrophobicContact CB-CD1 4.04Å; F133-F222 HydrophobicContact CB-CG 4.28Å; F133-F222 HydrophobicContact CD1-CD1 4.13Å; F133-F222 HydrophobicContact CD1-CE1 4.43Å; F133-F222 HydrophobicContact CD2-CD1 4.32Å; F133-F222 AromaticContact CG-CD1 3.89Å; F133-F222 HydrophobicContact CG-CD1 3.89Å; L218-F222 HydrophobicContact CB-CD2 4.36Å; L218-F222 HydrophobicContact CB-CE2 4.05Å; L218-F222 HydrophobicContact CD2-CE2 4.31Å; L218-F222 HydrophobicContact CD2-CZ 4.41Å; L218-F222 WeakPolarHBondContact O-CD2 3.48Å; L218-F222 WeakPolarHBondContact O-CG 3.29Å; L218-F222 PolarHBondContact O-N 2.89Å; M219-F222 PolarHBondContact O-N 3.38Å; F222-T225 PolarHBondContact O-N 3.01Å; F222-V226 VanDerWaalsContact O-CG2 3.3Å; F222-V226 WeakPolarHBondContact O-CG2 3.4Å; F222-V226 PolarHBondContact O-N 3.38Å
223Y95.4Very high94.8Very high16 Ų1657.4 Ų57.46%0.06329%0.288CS..Hα-helixtrans-70.8-32.5-179.8-72.1-27.6000113.2S129 R132 M219 T225 V226 C227 L291 V294 L295S129-Y223 VanDerWaalsContact CB-CE1 3.45Å; R132-Y223 HydrophobicContact CB-CE1 3.96Å; R132-Y223 HydrophobicContact CG-CE1 4.08Å; M219-Y223 HydrophobicContact CE-CE2 4.03Å; M219-Y223 VanDerWaalsContact O-CB 3.31Å; M219-Y223 WeakPolarHBondContact O-CB 3.42Å; M219-Y223 PolarHBondContact O-N 3.42Å; Y223-T225 VanDerWaalsContact C-N 3.33Å; Y223-T225 PolarHBondContact O-N 3.4Å; Y223-V226 PolarHBondContact O-N 3.16Å; Y223-C227 WeakPolarHBondContact O-CB 3.44Å; Y223-C227 PolarHBondContact O-N 3.39Å; Y223-C227 PolarHBondContact O-SG 3.49Å; Y223-L291 HydrophobicContact CD1-CD1 3.98Å; Y223-L291 HydrophobicContact CD1-CD2 3.76Å; Y223-L291 HydrophobicContact CD1-CG 4.29Å; Y223-L291 HydrophobicContact CD2-CD2 4.49Å; Y223-L291 HydrophobicContact CE1-CD1 4.43Å; Y223-L291 HydrophobicContact CE1-CD2 3.48Å; Y223-L291 VanDerWaalsContact CE1-CD2 3.48Å; Y223-L291 HydrophobicContact CE1-CG 4.47Å; Y223-L291 HydrophobicContact CE2-CD2 4.26Å; Y223-L291 HydrophobicContact CG-CB 4.35Å; Y223-L291 HydrophobicContact CG-CD2 4.26Å; Y223-V294 HydrophobicContact CE2-CG1 4.12Å; Y223-L295 HydrophobicContact CD2-CD1 4.33Å; Y223-L295 HydrophobicContact CD2-CD2 3.98Å; Y223-L295 HydrophobicContact CD2-CG 3.94Å
224G96.1Very high94.2Very high36 Ų3655.9 Ų55.937%0.37128%0.277SS..Hα-helixtrans-58.6-46.4171.400000111.3M220 C227 W228M220-G224 VanDerWaalsContact O-CA 3.26Å; M220-G224 WeakPolarHBondContact O-CA 3.3Å; M220-G224 PolarHBondContact O-N 2.99Å; G224-C227 PolarHBondContact O-N 3.25Å; G224-W228 WeakPolarHBondContact O-CB 3.44Å; G224-W228 PolarHBondContact O-N 2.99Å
225T96.5Very high93.6Very high48 Ų4855 Ų5529%0.29428%0.276SS..Hα-helixtrans-65.9-41.8177.4-52.60000112.1F133 V137 V221 F222 Y223 W228 R229F133-T225 HydrophobicContact CD2-CG2 4.21Å; F133-T225 HydrophobicContact CE2-CG2 3.79Å; V137-T225 HydrophobicContact CG2-CG2 4.29Å; V221-T225 WeakPolarHBondContact O-CB 3.33Å; V221-T225 PolarHBondContact O-N 3.09Å; V221-T225 PolarHBondContact O-OG1 3.12Å; F222-T225 PolarHBondContact O-N 3.01Å; Y223-T225 VanDerWaalsContact C-N 3.33Å; Y223-T225 PolarHBondContact O-N 3.4Å; T225-W228 PolarHBondContact O-N 3.14Å; T225-R229 VanDerWaalsContact O-CB 3.31Å; T225-R229 WeakPolarHBondContact O-CB 3.23Å; T225-R229 PolarHBondContact O-N 3.21Å
226V93.8Very high93Very high0 Ų059.9 Ų59.90%030%0.299CS..Hα-helixtrans-59.7-47.8174.6171.10000110.8F133 I136 V137 F222 Y223 W228 R229 L230 L291F133-V226 HydrophobicContact CB-CG2 4.14Å; I136-V226 HydrophobicContact CB-CG1 4.43Å; I136-V226 HydrophobicContact CD1-CG1 3.68Å; I136-V226 HydrophobicContact CG2-CG1 4.25Å; V137-V226 HydrophobicContact CG2-CG2 4.18Å; F222-V226 VanDerWaalsContact O-CG2 3.3Å; F222-V226 WeakPolarHBondContact O-CG2 3.4Å; F222-V226 PolarHBondContact O-N 3.38Å; Y223-V226 PolarHBondContact O-N 3.16Å; V226-W228 PolarHBondContact O-N 2.86Å; V226-R229 PolarHBondContact O-N 3.34Å; V226-L230 HydrophobicContact CG1-CD1 3.83Å; V226-L230 HydrophobicContact CG1-CG 4.35Å; V226-L230 WeakPolarHBondContact O-CB 3.46Å; V226-L230 VanDerWaalsContact O-CG 3.31Å; V226-L230 WeakPolarHBondContact O-CG 3.27Å; V226-L230 PolarHBondContact O-N 3.44Å; V226-L291 HydrophobicContact CB-CD1 4.17Å; V226-L291 HydrophobicContact CG1-CD1 3.46Å; V226-L291 VanDerWaalsContact CG1-CD1 3.46Å
227C94.5Very high92Very high18 Ų1863.8 Ų63.812%0.12231%0.313CS..Hα-helixtrans-61.8-46.2179.7-69.90000111.2Y223 G224 R229 L230 W231 I288Y223-C227 WeakPolarHBondContact O-CB 3.44Å; Y223-C227 PolarHBondContact O-N 3.39Å; Y223-C227 PolarHBondContact O-SG 3.49Å; G224-C227 PolarHBondContact O-N 3.25Å; C227-R229 PolarHBondContact O-N 2.83Å; C227-L230 PolarHBondContact O-N 3.1Å; C227-W231 VanDerWaalsContact O-CB 3.22Å; C227-W231 WeakPolarHBondContact O-CB 3.4Å; C227-W231 PolarHBondContact O-N 2.88Å; C227-I288 HydrophobicContact CB-CG2 4.18Å
228W95.4Very high90.8Very high142 Ų14262.9 Ų62.954%0.53831%0.309SS..Hα-helixtrans-60.5-46176.8177.485.2000112.2G224 T225 V226 W231 R232G224-W228 WeakPolarHBondContact O-CB 3.44Å; G224-W228 PolarHBondContact O-N 2.99Å; T225-W228 PolarHBondContact O-N 3.14Å; V226-W228 PolarHBondContact O-N 2.86Å; W228-W231 PolarHBondContact O-N 3.37Å; W228-R232 VanDerWaalsContact CH2-NH1 3.33Å; W228-R232 WeakPolarHBondContact O-CB 3.45Å; W228-R232 PolarHBondContact O-N 3.05Å
229R93.2Very high89.7Confident109 Ų10963.4 Ų63.441%0.41132%0.315SS..Hα-helixtrans-62.8-45.9179.8-174.965.1175.8-169.71.1111.5V137 T225 V226 C227 T233V137-R229 HydrophobicContact CG2-CB 4.3Å; V137-R229 HydrophobicContact CG2-CG 4.42Å; T225-R229 VanDerWaalsContact O-CB 3.31Å; T225-R229 WeakPolarHBondContact O-CB 3.23Å; T225-R229 PolarHBondContact O-N 3.21Å; V226-R229 PolarHBondContact O-N 3.34Å; C227-R229 PolarHBondContact O-N 2.83Å; R229-T233 PolarHBondContact O-N 3.3Å; R229-T233 PolarHBondContact O-OG1 3.38Å
230L89.8Confident88.5Confident17 Ų1767.1 Ų67.19%0.08934%0.338CS..Hα-helixtrans-64.2-44.4177.7-72.5175.7000111.3I136 V226 C227 T233 C234 R284 V287 I288I136-L230 HydrophobicContact CG2-CD1 4.45Å; I136-L230 HydrophobicContact CG2-CD2 3.71Å; I136-L230 HydrophobicContact CG2-CG 3.93Å; V226-L230 HydrophobicContact CG1-CD1 3.83Å; V226-L230 HydrophobicContact CG1-CG 4.35Å; V226-L230 WeakPolarHBondContact O-CB 3.46Å; V226-L230 VanDerWaalsContact O-CG 3.31Å; V226-L230 WeakPolarHBondContact O-CG 3.27Å; V226-L230 PolarHBondContact O-N 3.44Å; C227-L230 PolarHBondContact O-N 3.1Å; L230-T233 PolarHBondContact O-N 2.98Å; L230-C234 PolarHBondContact O-N 3.05Å; L230-C234 PolarHBondContact O-SG 3.47Å; L230-C234 VanDerWaalsContact O-SG 3.35Å; L230-R284 HydrophobicContact CD2-CG 4.25Å; L230-V287 HydrophobicContact CD1-CB 4.49Å; L230-V287 HydrophobicContact CD1-CG1 4.07Å; L230-I288 HydrophobicContact CB-CD1 3.72Å; L230-I288 HydrophobicContact CB-CG1 3.83Å; L230-I288 HydrophobicContact CD1-CG1 3.93Å
231W91.7Very high87.2Confident146 Ų14664.8 Ų64.855%0.55333%0.326SS*.Hα-helixtrans-59.9-54.1178.5-175.5-93.3000111.4C227 W228 T233 C234 T235 I288C227-W231 VanDerWaalsContact O-CB 3.22Å; C227-W231 WeakPolarHBondContact O-CB 3.4Å; C227-W231 PolarHBondContact O-N 2.88Å; W228-W231 PolarHBondContact O-N 3.37Å; W231-T233 PolarHBondContact O-N 3.34Å; W231-C234 WeakPolarHBondContact O-CB 3.42Å; W231-C234 PolarHBondContact O-N 2.87Å; W231-T235 PolarHBondContact O-N 2.8Å; W231-T235 PolarHBondContact O-OG1 3.31Å; W231-I288 HydrophobicContact CB-CD1 4.28Å; W231-I288 HydrophobicContact CE3-CD1 4.29Å
232R91.1Very high85.8Confident117 Ų11767.5 Ų67.544%0.44233%0.331SS..Hα-helixtrans-55-42.2179.8-174.7177.6179.4-179.61.4111.8W228 T235 Q236W228-R232 VanDerWaalsContact CH2-NH1 3.33Å; W228-R232 WeakPolarHBondContact O-CB 3.45Å; W228-R232 PolarHBondContact O-N 3.05Å; R232-T235 PolarHBondContact O-N 3.32Å; R232-Q236 WeakPolarHBondContact O-CG 3.47Å; R232-Q236 PolarHBondContact O-N 2.88Å
233T86.7Confident84.5Confident32 Ų3268.8 Ų68.820%0.19634%0.344CS..Hα-helixtrans-66.9-43.3179.3-46.40000111.2R229 L230 W231 T235 Q236 Y237R229-T233 PolarHBondContact O-N 3.3Å; R229-T233 PolarHBondContact O-OG1 3.38Å; L230-T233 PolarHBondContact O-N 2.98Å; W231-T233 PolarHBondContact O-N 3.34Å; T233-T235 PolarHBondContact O-N 3.33Å; T233-Q236 PolarHBondContact O-N 3.48Å; T233-Y237 HydrophobicContact CG2-CD2 3.95Å; T233-Y237 HydrophobicContact CG2-CE2 3.69Å; T233-Y237 WeakPolarHBondContact O-CD2 3.43Å; T233-Y237 PolarHBondContact O-N 2.9Å; T233-Y237 VanDerWaalsContact O-N 3.14Å
234C84Confident83Confident17 Ų1777.6 Ų77.612%0.11538%0.377CS..Hα-helixtrans-61.7-41.6175.2-71.40000112.5L230 W231 Y237 G238 I281 R284L230-C234 PolarHBondContact O-N 3.05Å; L230-C234 PolarHBondContact O-SG 3.47Å; L230-C234 VanDerWaalsContact O-SG 3.35Å; W231-C234 WeakPolarHBondContact O-CB 3.42Å; W231-C234 PolarHBondContact O-N 2.87Å; C234-Y237 PolarHBondContact O-N 3.39Å; C234-G238 PolarHBondContact O-N 3.2Å; C234-I281 HydrophobicContact CB-CG2 4.27Å; C234-R284 VanDerWaalsContact SG-CD 3.53Å
235T84.1Confident81.6Confident67 Ų6779.6 Ų79.641%0.41138%0.379SS..Hα-helixtrans-62.9-44177.5-48.50000111.3W231 R232 T233 Y237 G238 V239W231-T235 PolarHBondContact O-N 2.8Å; W231-T235 PolarHBondContact O-OG1 3.31Å; R232-T235 PolarHBondContact O-N 3.32Å; T233-T235 PolarHBondContact O-N 3.33Å; T235-Y237 PolarHBondContact O-N 2.83Å; T235-G238 PolarHBondContact O-N 3.2Å; T235-V239 WeakPolarHBondContact O-CG2 3.22Å; T235-V239 PolarHBondContact O-N 3.45Å
236Q82.7Confident80Confident105 Ų10579.7 Ų79.749%0.49138%0.382SS..Hα-helixtrans-62-40.5178-76178-30.500112.9R232 T233 T240R232-Q236 WeakPolarHBondContact O-CG 3.47Å; R232-Q236 PolarHBondContact O-N 2.88Å; T233-Q236 PolarHBondContact O-N 3.48Å; Q236-T240 PolarHBondContact O-N 3.23Å; Q236-T240 PolarHBondContact O-OG1 2.99Å
237Y75.8Confident78.7Confident119 Ų11987.3 Ų87.347%0.46741%0.412SS..Hα-helixtrans-64.4-41.6173.7-83.3-71.2000112.2T233 C234 T235 V239 T240 Q241T233-Y237 HydrophobicContact CG2-CD2 3.95Å; T233-Y237 HydrophobicContact CG2-CE2 3.69Å; T233-Y237 WeakPolarHBondContact O-CD2 3.43Å; T233-Y237 PolarHBondContact O-N 2.9Å; T233-Y237 VanDerWaalsContact O-N 3.14Å; C234-Y237 PolarHBondContact O-N 3.39Å; T235-Y237 PolarHBondContact O-N 2.83Å; Y237-V239 PolarHBondContact O-N 2.95Å; Y237-T240 WeakPolarHBondContact CA-OG1 3.28Å; Y237-T240 PolarHBondContact O-OG1 3.4Å; Y237-T240 VanDerWaalsContact O-OG1 3.1Å; Y237-Q241 VanDerWaalsContact O-CB 3.3Å; Y237-Q241 WeakPolarHBondContact O-CB 3.37Å; Y237-Q241 PolarHBondContact O-N 3.14Å
238G72.4Confident77.3Confident34 Ų3491 Ų9135%0.35143%0.427SS..Hα-helixtrans-60-46176.800000112.6C234 T235 Q241 F242C234-G238 PolarHBondContact O-N 3.2Å; T235-G238 PolarHBondContact O-N 3.2Å; G238-Q241 PolarHBondContact O-N 3.14Å; G238-F242 WeakPolarHBondContact O-CB 3.41Å; G238-F242 PolarHBondContact O-N 3.36Å
239V74.1Confident75.8Confident88 Ų8887.8 Ų87.853%0.53343%0.426SS..Hα-helixtrans-64.5-51178.8175.60000111.1T235 Y237 Q241 F242 S243T235-V239 WeakPolarHBondContact O-CG2 3.22Å; T235-V239 PolarHBondContact O-N 3.45Å; Y237-V239 PolarHBondContact O-N 2.95Å; V239-Q241 VanDerWaalsContact C-N 3.27Å; V239-Q241 PolarHBondContact O-N 3.5Å; V239-F242 PolarHBondContact O-N 2.91Å; V239-F242 VanDerWaalsContact O-N 3.15Å; V239-S243 PolarHBondContact O-N 2.82Å; V239-S243 PolarHBondContact O-OG 2.95Å
240T71.1Confident74.5Confident78 Ų7885.3 Ų85.348%0.47943%0.425SS..Hα-helixtrans-60.4-36.1-179.440.80000112.8Q236 Y237 R244Q236-T240 PolarHBondContact O-N 3.23Å; Q236-T240 PolarHBondContact O-OG1 2.99Å; Y237-T240 WeakPolarHBondContact CA-OG1 3.28Å; Y237-T240 PolarHBondContact O-OG1 3.4Å; Y237-T240 VanDerWaalsContact O-OG1 3.1Å; T240-R244 WeakPolarHBondContact O-CG 3.22Å; T240-R244 PolarHBondContact O-N 3.48Å; T240-R244 VanDerWaalsContact O-N 3.09Å
241Q69.6Low73.4Confident43 Ų4387.2 Ų87.220%0.20144%0.435CS..Hα-helixtrans-71-41.4176.2-170.5176.9-25.400112.2Y237 G238 V239 R244 L245Y237-Q241 VanDerWaalsContact O-CB 3.3Å; Y237-Q241 WeakPolarHBondContact O-CB 3.37Å; Y237-Q241 PolarHBondContact O-N 3.14Å; G238-Q241 PolarHBondContact O-N 3.14Å; V239-Q241 VanDerWaalsContact C-N 3.27Å; V239-Q241 PolarHBondContact O-N 3.5Å; Q241-R244 PolarHBondContact O-N 2.89Å; Q241-L245 HydrophobicContact CG-CD1 4.13Å; Q241-L245 WeakPolarHBondContact O-CD1 3.24Å; Q241-L245 PolarHBondContact O-N 3.44Å
242F68.1Low72.2Confident148 Ų14883.4 Ų83.465%0.64942%0.423SS*.Hα-helixtrans-62.5-42.1174.6-175.4-96.8000111.8G238 V239 R244 L245 S246G238-F242 WeakPolarHBondContact O-CB 3.41Å; G238-F242 PolarHBondContact O-N 3.36Å; V239-F242 PolarHBondContact O-N 2.91Å; V239-F242 VanDerWaalsContact O-N 3.15Å; F242-R244 VanDerWaalsContact C-N 3.35Å; F242-R244 PolarHBondContact O-N 3.44Å; F242-L245 PolarHBondContact O-N 3.48Å; F242-S246 PolarHBondContact O-N 3.48Å; F242-S246 PolarHBondContact O-OG 3.05Å
243S67.8Low71Confident64 Ų6482.3 Ų82.345%0.44843%0.434SS..Hα-helixtrans-59.1-43.9173.9-52.50000111.7V239 S246 Y247V239-S243 PolarHBondContact O-N 2.82Å; V239-S243 PolarHBondContact O-OG 2.95Å; S243-S246 PolarHBondContact O-N 2.97Å; S243-Y247 VanDerWaalsContact O-CB 3.31Å; S243-Y247 WeakPolarHBondContact O-CB 3.47Å; S243-Y247 PolarHBondContact O-N 2.71Å
244R65.1Low70.1Confident202 Ų20291.8 Ų91.876%0.76247%0.466SS*.Hα-helixtrans-63.7-40.5176.3-77.7-174.1-174.9-169.62.3112.8T240 Q241 F242 H248T240-R244 WeakPolarHBondContact O-CG 3.22Å; T240-R244 PolarHBondContact O-N 3.48Å; T240-R244 VanDerWaalsContact O-N 3.09Å; Q241-R244 PolarHBondContact O-N 2.89Å; F242-R244 VanDerWaalsContact C-N 3.35Å; F242-R244 PolarHBondContact O-N 3.44Å; R244-H248 WeakPolarHBondContact O-CB 3.46Å; R244-H248 PolarHBondContact O-N 2.91Å
245L65.8Low69.3Low77 Ų7795.2 Ų95.240%0.40348%0.476SS..Hα-helixtrans-65.3-46.2176.7-101.4103.1000111.8Q241 F242 Y247 H248 S249Q241-L245 HydrophobicContact CG-CD1 4.13Å; Q241-L245 WeakPolarHBondContact O-CD1 3.24Å; Q241-L245 PolarHBondContact O-N 3.44Å; F242-L245 PolarHBondContact O-N 3.48Å; L245-Y247 VanDerWaalsContact C-N 3.33Å; L245-Y247 PolarHBondContact O-N 2.99Å; L245-H248 PolarHBondContact O-N 3.39Å; L245-S249 PolarHBondContact O-N 3.37Å
246S63.8Low68.7Low51 Ų5194.8 Ų94.836%0.35748%0.476SS..Hα-helixtrans-60.9-44.3177-69.20000111.1F242 S243 H248 S249 S250F242-S246 PolarHBondContact O-N 3.48Å; F242-S246 PolarHBondContact O-OG 3.05Å; S243-S246 PolarHBondContact O-N 2.97Å; S246-H248 PolarHBondContact O-N 3.34Å; S246-S249 PolarHBondContact O-N 3.37Å; S246-S249 PolarHBondContact O-OG 3.35Å; S246-S250 PolarHBondContact O-N 2.87Å
247Y65Low68.1Low160 Ų16096 Ų9663%0.62749%0.485SS*.Hα-helixtrans-59.3-48.3175.9-174.6-106.7000112.2S243 L245 S249 S250 I251S243-Y247 VanDerWaalsContact O-CB 3.31Å; S243-Y247 WeakPolarHBondContact O-CB 3.47Å; S243-Y247 PolarHBondContact O-N 2.71Å; L245-Y247 VanDerWaalsContact C-N 3.33Å; L245-Y247 PolarHBondContact O-N 2.99Å; Y247-S249 VanDerWaalsContact C-N 3.33Å; Y247-S249 PolarHBondContact O-N 2.95Å; Y247-S250 PolarHBondContact O-N 3.26Å; Y247-S250 PolarHBondContact O-OG 3.24Å; Y247-I251 HydrophobicContact CD1-CD1 3.76Å; Y247-I251 HydrophobicContact CE1-CD1 3.2Å; Y247-I251 HydrophobicContact CE1-CG1 4.34Å; Y247-I251 HydrophobicContact CE2-CD1 4.16Å; Y247-I251 HydrophobicContact CG-CD1 4.45Å; Y247-I251 VanDerWaalsContact CZ-CD1 3.43Å; Y247-I251 PolarHBondContact O-N 2.9Å; Y247-I251 VanDerWaalsContact O-N 3.07Å
248H66Low68Low95 Ų9593.2 Ų93.244%0.4449%0.486SS..Hα-helixtrans-65.5-36.2179.5-158.7-61.6000112.3R244 L245 S246 S250 I251 E252R244-H248 WeakPolarHBondContact O-CB 3.46Å; R244-H248 PolarHBondContact O-N 2.91Å; L245-H248 PolarHBondContact O-N 3.39Å; S246-H248 PolarHBondContact O-N 3.34Å; H248-S250 VanDerWaalsContact C-N 3.33Å; H248-I251 PolarHBondContact O-N 3.09Å; H248-E252 IonicContact CE1-OE2 3.57Å; H248-E252 IonicContact ND1-OE2 3.87Å; H248-E252 WeakPolarHBondContact O-CB 3.37Å; H248-E252 PolarHBondContact O-N 3.39Å
249S64.2Low67.9Low75 Ų7596.5 Ų96.552%0.52449%0.493SS..Hα-helixtrans-64.8-37.7175.174.30000112.3L245 S246 Y247 E252 S253L245-S249 PolarHBondContact O-N 3.37Å; S246-S249 PolarHBondContact O-N 3.37Å; S246-S249 PolarHBondContact O-OG 3.35Å; Y247-S249 VanDerWaalsContact C-N 3.33Å; Y247-S249 PolarHBondContact O-N 2.95Å; S249-E252 PolarHBondContact O-N 3.49Å; S249-S253 WeakPolarHBondContact O-CB 3.25Å; S249-S253 PolarHBondContact O-N 3.29Å
250S65.1Low67.6Low57 Ų5798.4 Ų98.440%0.39949%0.49SS..Hα-helixtrans-69.3-37.1178.573.90000112.8S246 Y247 H248 R254S246-S250 PolarHBondContact O-N 2.87Å; Y247-S250 PolarHBondContact O-N 3.26Å; Y247-S250 PolarHBondContact O-OG 3.24Å; H248-S250 VanDerWaalsContact C-N 3.33Å; S250-R254 PolarHBondContact O-N 2.69Å
251I66.9Low67.4Low57 Ų57101.5 Ų101.529%0.29250%0.503SS..Hα-helixtrans-69.2-45174.5-70.1176000110.6Y247 H248 S253 R254 R255Y247-I251 HydrophobicContact CD1-CD1 3.76Å; Y247-I251 HydrophobicContact CE1-CD1 3.2Å; Y247-I251 HydrophobicContact CE1-CG1 4.34Å; Y247-I251 HydrophobicContact CE2-CD1 4.16Å; Y247-I251 HydrophobicContact CG-CD1 4.45Å; Y247-I251 VanDerWaalsContact CZ-CD1 3.43Å; Y247-I251 PolarHBondContact O-N 2.9Å; Y247-I251 VanDerWaalsContact O-N 3.07Å; H248-I251 PolarHBondContact O-N 3.09Å; I251-S253 PolarHBondContact O-N 2.96Å; I251-R254 PolarHBondContact O-N 2.98Å; I251-R255 PolarHBondContact O-N 3.25Å; I251-R255 VanDerWaalsContact O-N 3.09Å
252E66.1Low67.4Low65 Ų65106.5 Ų106.530%0.30453%0.53SS..Hα-helixtrans-62.9-34.7-179.9-156.670.6-160.200111.4H248 S249 R254 R255 R260H248-E252 IonicContact CE1-OE2 3.57Å; H248-E252 IonicContact ND1-OE2 3.87Å; H248-E252 WeakPolarHBondContact O-CB 3.37Å; H248-E252 PolarHBondContact O-N 3.39Å; S249-E252 PolarHBondContact O-N 3.49Å; E252-R254 VanDerWaalsContact C-N 3.32Å; E252-R254 PolarHBondContact O-N 3.42Å; E252-R255 PolarHBondContact O-N 3.36Å; E252-R255 IonicContact OE2-NH1 3.01Å; E252-R255 PolarHBondContact OE2-NH1 3.25Å; E252-R260 PolarHBondContact O-NE 3.23Å; E252-R260 PolarHBondContact O-NH2 2.98Å; E252-R260 VanDerWaalsContact O-NH2 3.14Å
253S67.3Low67.3Low94 Ų94101.3 Ų101.366%0.65752%0.515SS*.Hα-helixtrans-66.4-29.5173.5-177.80000113.5S249 I251S249-S253 WeakPolarHBondContact O-CB 3.25Å; S249-S253 PolarHBondContact O-N 3.29Å; I251-S253 PolarHBondContact O-N 2.96Å
254R67.1Low66.9Low231 Ų231103.4 Ų103.487%0.87253%0.527SS*.Hα-helixtrans-87.6-16.3178.7-74.7-174-179.2-158.30.5113.6S250 I251 E252 S256S250-R254 PolarHBondContact O-N 2.69Å; I251-R254 PolarHBondContact O-N 2.98Å; E252-R254 VanDerWaalsContact C-N 3.32Å; E252-R254 PolarHBondContact O-N 3.42Å; R254-S256 PolarHBondContact O-N 3.48Å
255R67.5Low66.5Low89 Ų89104.5 Ų104.534%0.33653%0.531SS..SBendtrans-67.8129.4177.4-83.9-179.6172152.2-4.9111.6I251 E252 E259 R260I251-R255 PolarHBondContact O-N 3.25Å; I251-R255 VanDerWaalsContact O-N 3.09Å; E252-R255 PolarHBondContact O-N 3.36Å; E252-R255 IonicContact OE2-NH1 3.01Å; E252-R255 PolarHBondContact OE2-NH1 3.25Å; R255-E259 WeakPolarHBondContact CA-OE2 3.37Å; R255-E259 HydrophobicContact CB-CB 4.38Å; R255-E259 HydrophobicContact CG-CB 4.37Å; R255-R260 HydrophobicContact CB-CG 4.12Å; R255-R260 PolarHBondContact O-NE 2.9Å; R255-R260 PolarHBondContact O-NH2 3.4Å
256S70.6Confident65.9Low58 Ų58109.5 Ų109.541%0.40655%0.552SS.*  trans-65159.8172.568.30000111.3R254 A258 E259 R260R254-S256 PolarHBondContact O-N 3.48Å; S256-A258 PolarHBondContact O-N 2.88Å; S256-E259 PolarHBondContact N-OE2 3.45Å; S256-E259 VanDerWaalsContact N-OE2 3.11Å; S256-E259 PolarHBondContact O-N 3.2Å; S256-E259 WeakPolarHBondContact OG-CG 3.23Å; S256-E259 PolarHBondContact OG-N 3.3Å; S256-E259 PolarHBondContact OG-OE2 3.06Å; S256-R260 PolarHBondContact O-N 3.47Å; S256-R260 VanDerWaalsContact O-N 3.13Å
257I71.3Confident65.1Low132 Ų132117.3 Ų117.368%0.67757%0.574SS**Hα-helixtrans-58.9-39.3179.4-63.1172.3000110.7E259 R260 L261I257-E259 PolarHBondContact O-N 3.5Å; I257-R260 PolarHBondContact O-N 2.89Å; I257-L261 HydrophobicContact CG2-CD1 4.03Å; I257-L261 WeakPolarHBondContact O-CG 3.39Å; I257-L261 PolarHBondContact O-N 3.04Å; I257-L261 VanDerWaalsContact O-N 3.14Å
258A73.2Confident64.2Low60 Ų60117.6 Ų117.650%0.49658%0.583SS.*Hα-helixtrans-62.3-41.4177.200000112.4S256 R260 L261 L262S256-A258 PolarHBondContact O-N 2.88Å; A258-R260 PolarHBondContact O-N 3.19Å; A258-L261 PolarHBondContact O-N 3.34Å; A258-L262 WeakPolarHBondContact O-CG 3.43Å; A258-L262 PolarHBondContact O-N 2.88Å
259E70.7Confident63.6Low103 Ų103117.2 Ų117.248%0.48159%0.591SS.*Hα-helixtrans-67.6-34.3176.6-74.8176137.200113R255 S256 I257 L261 L262 A263R255-E259 WeakPolarHBondContact CA-OE2 3.37Å; R255-E259 HydrophobicContact CB-CB 4.38Å; R255-E259 HydrophobicContact CG-CB 4.37Å; S256-E259 PolarHBondContact N-OE2 3.45Å; S256-E259 VanDerWaalsContact N-OE2 3.11Å; S256-E259 PolarHBondContact O-N 3.2Å; S256-E259 WeakPolarHBondContact OG-CG 3.23Å; S256-E259 PolarHBondContact OG-N 3.3Å; S256-E259 PolarHBondContact OG-OE2 3.06Å; I257-E259 PolarHBondContact O-N 3.5Å; E259-L261 VanDerWaalsContact C-N 3.3Å; E259-L262 PolarHBondContact O-N 3.12Å; E259-A263 VanDerWaalsContact O-CB 3.31Å; E259-A263 WeakPolarHBondContact O-CB 3.41Å; E259-A263 PolarHBondContact O-N 2.93Å
260R66.7Low63Low127 Ų127118.4 Ų118.448%0.47959%0.592SS.*Hα-helixtrans-69.2-30.4175-67.6-172.9-151.6171.15.9112.6E252 R255 S256 I257 A258E252-R260 PolarHBondContact O-NE 3.23Å; E252-R260 PolarHBondContact O-NH2 2.98Å; E252-R260 VanDerWaalsContact O-NH2 3.14Å; R255-R260 HydrophobicContact CB-CG 4.12Å; R255-R260 PolarHBondContact O-NE 2.9Å; R255-R260 PolarHBondContact O-NH2 3.4Å; S256-R260 PolarHBondContact O-N 3.47Å; S256-R260 VanDerWaalsContact O-N 3.13Å; I257-R260 PolarHBondContact O-N 2.89Å; A258-R260 PolarHBondContact O-N 3.19Å
261L67.9Low62.5Low143 Ų143119.5 Ų119.575%0.74960%0.599SS**Hα-helixtrans-76.9-33176.9-69.9168.4000112.2I257 A258 E259I257-L261 HydrophobicContact CG2-CD1 4.03Å; I257-L261 WeakPolarHBondContact O-CG 3.39Å; I257-L261 PolarHBondContact O-N 3.04Å; I257-L261 VanDerWaalsContact O-N 3.14Å; A258-L261 PolarHBondContact O-N 3.34Å; E259-L261 VanDerWaalsContact C-N 3.3Å
262L69.5Low62Low148 Ų148120.4 Ų120.478%0.77561%0.611SS**Hα-helixtrans-86.6-18177.9-69.4169.8000113.7A258 E259A258-L262 WeakPolarHBondContact O-CG 3.43Å; A258-L262 PolarHBondContact O-N 2.88Å; E259-L262 PolarHBondContact O-N 3.12Å
263A65.1Low61.8Low39 Ų39122.6 Ų122.632%0.32263%0.625SS.*SBendtrans-61.9127.9179.300000110.8E259 R265E259-A263 VanDerWaalsContact O-CB 3.31Å; E259-A263 WeakPolarHBondContact O-CB 3.41Å; E259-A263 PolarHBondContact O-N 2.93Å; A263-R265 PolarHBondContact O-N 3.43Å
264P60.5Low61.4Low109 Ų109123.3 Ų123.371%0.70861%0.613SS**  trans-57.2136.6177.5-18.828.9000109.6Q266P264-Q266 PolarHBondContact O-N 2.94Å
265R56Low61.2Low224 Ų224120.4 Ų120.485%0.84561%0.607SS**  trans-67.761.9178.4-166.1176.6176.1160.1-1.8111.6A263 R267A263-R265 PolarHBondContact O-N 3.43Å; R265-R267 HydrophobicContact CG-CB 4.46Å; R265-R267 PolarHBondContact O-N 3.35Å
266Q53.5Low61.2Low183 Ų183118.2 Ų118.286%0.85561%0.612SS**  trans-79.565.7170.6-77.1-169.6-15.100109.8P264P264-Q266 PolarHBondContact O-N 2.94Å
267R46.6Very low61.2Low214 Ų214117.7 Ų117.781%0.80861%0.606SS**  trans-93.510.3-174-123.8-179.6-165.4172.35.6115.7R265R265-R267 HydrophobicContact CG-CB 4.46Å; R265-R267 PolarHBondContact O-N 3.35Å
268M46.9Very low61.4Low166 Ų166114.4 Ų114.482%0.81859%0.592SS**SBendtrans-129.3-14.3-171.8-73.3-179.265.200118.1
269S52Low61.5Low87 Ų87113.3 Ų113.361%0.60859%0.586SS**Hα-helixtrans-78.5-33-178176.40000113.9S271 S272S269-S271 VanDerWaalsContact C-N 3.32Å; S269-S271 PolarHBondContact O-N 3.47Å; S269-S272 PolarHBondContact O-OG 2.99Å
270N53Low61.8Low101 Ų101111.7 Ų111.754%0.5458%0.583SS.*Hα-helixtrans-80.1-10.2-171.7-121.6-2.2000114.5R274N270-R274 WeakPolarHBondContact O-CB 3.26Å
271S54.1Low62.4Low80 Ų80107.9 Ų107.956%0.55957%0.572SS**Hα-helixtrans-81.9-45176.9173.80000111.5S269 R274 F275S269-S271 VanDerWaalsContact C-N 3.32Å; S269-S271 PolarHBondContact O-N 3.47Å; S271-R274 WeakPolarHBondContact O-CB 3.41Å; S271-R274 PolarHBondContact O-N 3.33Å; S271-F275 PolarHBondContact O-N 3.06Å
272S57.1Low63Low76 Ų76106.8 Ų106.853%0.53156%0.563SS.*Hα-helixtrans-65.8-43.5-177.161.90000112.5S269 R274 F275 G276S269-S272 PolarHBondContact O-OG 2.99Å; S272-R274 VanDerWaalsContact C-N 3.27Å; S272-R274 PolarHBondContact O-N 2.92Å; S272-F275 PolarHBondContact O-N 2.98Å; S272-G276 PolarHBondContact O-N 2.72Å
273N61Low63.4Low111 Ų111102.7 Ų102.759%0.59455%0.547SS*.Hα-helixtrans-61.9-36.1174.4-91.8-7.8000112.1G276 V277N273-G276 PolarHBondContact O-N 3.3Å; N273-V277 WeakPolarHBondContact O-CG2 3.45Å; N273-V277 PolarHBondContact O-N 3.38Å; N273-V277 VanDerWaalsContact O-N 3.08Å
274R59.6Low64.3Low108 Ų108104 Ų10441%0.40854%0.543SS..Hα-helixtrans-66.6-45.9178.7-141.7-176.9-63.4-167.2-0.7111.3N270 S271 S272 G276 V277 V278N270-R274 WeakPolarHBondContact O-CB 3.26Å; S271-R274 WeakPolarHBondContact O-CB 3.41Å; S271-R274 PolarHBondContact O-N 3.33Å; S272-R274 VanDerWaalsContact C-N 3.27Å; S272-R274 PolarHBondContact O-N 2.92Å; R274-G276 VanDerWaalsContact C-N 3.32Å; R274-G276 PolarHBondContact O-N 2.82Å; R274-V277 PolarHBondContact O-N 3.37Å; R274-V278 VanDerWaalsContact O-CG2 3.32Å; R274-V278 WeakPolarHBondContact O-CG2 3.5Å; R274-V278 PolarHBondContact O-N 2.91Å; R274-V278 VanDerWaalsContact O-N 3.09Å
275F62.3Low65.4Low171 Ų171107 Ų10775%0.7554%0.541SS*.Hα-helixtrans-64-39.4178-146.2-91.1000111.5S271 S272 G279S271-F275 PolarHBondContact O-N 3.06Å; S272-F275 PolarHBondContact O-N 2.98Å; F275-G279 PolarHBondContact O-N 3.36Å
276G67.7Low66.8Low42 Ų42102.1 Ų102.143%0.43352%0.522SS..Hα-helixtrans-60.5-47.6174.700000113.2S272 N273 R274 G279 V280S272-G276 PolarHBondContact O-N 2.72Å; N273-G276 PolarHBondContact O-N 3.3Å; R274-G276 VanDerWaalsContact C-N 3.32Å; R274-G276 PolarHBondContact O-N 2.82Å; G276-G279 PolarHBondContact O-N 2.83Å; G276-V280 WeakPolarHBondContact O-CG2 3.44Å; G276-V280 PolarHBondContact O-N 3.49Å
277V71.1Confident68.4Low47 Ų4796.1 Ų96.129%0.28550%0.498SS..Hα-helixtrans-65.8-42.6179.4176.20000111.6N273 R274 G279 V280 I281N273-V277 WeakPolarHBondContact O-CG2 3.45Å; N273-V277 PolarHBondContact O-N 3.38Å; N273-V277 VanDerWaalsContact O-N 3.08Å; R274-V277 PolarHBondContact O-N 3.37Å; V277-G279 VanDerWaalsContact C-N 3.32Å; V277-G279 PolarHBondContact O-N 2.95Å; V277-V280 PolarHBondContact O-N 3.25Å; V277-I281 HydrophobicContact CG1-CD1 3.91Å; V277-I281 HydrophobicContact CG1-CG1 4.43Å; V277-I281 WeakPolarHBondContact O-CG1 3.31Å; V277-I281 PolarHBondContact O-N 3.05Å
278V74.5Confident70.3Confident64 Ų6486.7 Ų86.739%0.38846%0.463SS..Hα-helixtrans-59-45.8175.7173.70000110.5R274 V280 I281 E282R274-V278 VanDerWaalsContact O-CG2 3.32Å; R274-V278 WeakPolarHBondContact O-CG2 3.5Å; R274-V278 PolarHBondContact O-N 2.91Å; R274-V278 VanDerWaalsContact O-N 3.09Å; V278-V280 VanDerWaalsContact C-N 3.32Å; V278-V280 PolarHBondContact O-N 3.24Å; V278-I281 PolarHBondContact O-N 3.09Å; V278-E282 HydrophobicContact CG1-CG 4.43Å; V278-E282 WeakPolarHBondContact O-CG 3.3Å; V278-E282 PolarHBondContact O-N 2.89Å
279G76Confident72.4Confident36 Ų3685.5 Ų85.537%0.37145%0.453SS..Hα-helixtrans-59.9-3917600000113.4F275 G276 V277 S283F275-G279 PolarHBondContact O-N 3.36Å; G276-G279 PolarHBondContact O-N 2.83Å; V277-G279 VanDerWaalsContact C-N 3.32Å; V277-G279 PolarHBondContact O-N 2.95Å; G279-S283 WeakPolarHBondContact O-CB 3.46Å; G279-S283 PolarHBondContact O-N 3.35Å
280V76.3Confident74.2Confident70 Ų7083.6 Ų83.642%0.42444%0.435SS..Hα-helixtrans-65.4-44.1175173.80000111.2G276 V277 V278 S283 R284G276-V280 WeakPolarHBondContact O-CG2 3.44Å; G276-V280 PolarHBondContact O-N 3.49Å; V277-V280 PolarHBondContact O-N 3.25Å; V278-V280 VanDerWaalsContact C-N 3.32Å; V278-V280 PolarHBondContact O-N 3.24Å; V280-S283 PolarHBondContact O-N 2.79Å; V280-S283 PolarHBondContact O-OG 3.35Å; V280-R284 WeakPolarHBondContact O-CG 3.43Å; V280-R284 PolarHBondContact O-N 2.93Å; V280-R284 VanDerWaalsContact O-N 3.11Å
281I79.2Confident76Confident47 Ų4779 Ų7924%0.24141%0.411CS..Hα-helixtrans-63.2-45.8178.8-66.6167.7000110.8C234 V277 V278 S283 R284 R285C234-I281 HydrophobicContact CB-CG2 4.27Å; V277-I281 HydrophobicContact CG1-CD1 3.91Å; V277-I281 HydrophobicContact CG1-CG1 4.43Å; V277-I281 WeakPolarHBondContact O-CG1 3.31Å; V277-I281 PolarHBondContact O-N 3.05Å; V278-I281 PolarHBondContact O-N 3.09Å; I281-S283 VanDerWaalsContact C-N 3.33Å; I281-S283 PolarHBondContact O-N 3.36Å; I281-R284 PolarHBondContact O-N 3.5Å; I281-R285 PolarHBondContact O-N 3.29Å
282E80.7Confident77.9Confident119 Ų11978.7 Ų78.756%0.55640%0.402SS*.Hα-helixtrans-60.9-42177.2-75.2-179.8-17500112V278 R284 R285 R286V278-E282 HydrophobicContact CG1-CG 4.43Å; V278-E282 WeakPolarHBondContact O-CG 3.3Å; V278-E282 PolarHBondContact O-N 2.89Å; E282-R284 VanDerWaalsContact C-N 3.32Å; E282-R284 PolarHBondContact O-N 3.29Å; E282-R285 PolarHBondContact O-N 3.16Å; E282-R286 PolarHBondContact O-N 2.86Å
283S78.8Confident79.6Confident62 Ų6278.6 Ų78.643%0.43439%0.394SS..Hα-helixtrans-60-43176.977.70000111.7G279 V280 I281 R286 V287G279-S283 WeakPolarHBondContact O-CB 3.46Å; G279-S283 PolarHBondContact O-N 3.35Å; V280-S283 PolarHBondContact O-N 2.79Å; V280-S283 PolarHBondContact O-OG 3.35Å; I281-S283 VanDerWaalsContact C-N 3.33Å; I281-S283 PolarHBondContact O-N 3.36Å; S283-R286 WeakPolarHBondContact O-CB 3.35Å; S283-R286 PolarHBondContact O-N 3.44Å; S283-V287 WeakPolarHBondContact O-CG2 3.37Å; S283-V287 PolarHBondContact O-N 2.85Å
284R83.8Confident81.1Confident68 Ų6874.5 Ų74.526%0.25737%0.373SS..Hα-helixtrans-68.5-40.9178.1-70.5178.9177.2-165.90.6112.1L230 C234 V280 I281 E282 R286 V287 I288L230-R284 HydrophobicContact CD2-CG 4.25Å; C234-R284 VanDerWaalsContact SG-CD 3.53Å; V280-R284 WeakPolarHBondContact O-CG 3.43Å; V280-R284 PolarHBondContact O-N 2.93Å; V280-R284 VanDerWaalsContact O-N 3.11Å; I281-R284 PolarHBondContact O-N 3.5Å; E282-R284 VanDerWaalsContact C-N 3.32Å; E282-R284 PolarHBondContact O-N 3.29Å; R284-R286 VanDerWaalsContact C-N 3.27Å; R284-R286 PolarHBondContact O-N 2.89Å; R284-V287 PolarHBondContact O-N 3.01Å; R284-V287 VanDerWaalsContact O-N 3.15Å; R284-I288 WeakPolarHBondContact O-CG1 3.47Å; R284-I288 PolarHBondContact O-N 3.48Å
285R84.3Confident82.8Confident172 Ų17270.1 Ų70.165%0.64936%0.358SS*.Hα-helixtrans-62.1-36.3176.7-165.7177.3-175.2-177.52111.7I281 E282 I288 K289I281-R285 PolarHBondContact O-N 3.29Å; E282-R285 PolarHBondContact O-N 3.16Å; R285-I288 PolarHBondContact O-N 2.98Å; R285-K289 PolarHBondContact O-N 3.41Å
286R85.5Confident84.5Confident121 Ų12166.1 Ų66.146%0.45734%0.344SS..Hα-helixtrans-63.1-42.4173.9-168-178.6-60.5-179.43.7111.9E282 S283 R284 K289 M290E282-R286 PolarHBondContact O-N 2.86Å; S283-R286 WeakPolarHBondContact O-CB 3.35Å; S283-R286 PolarHBondContact O-N 3.44Å; R284-R286 VanDerWaalsContact C-N 3.27Å; R284-R286 PolarHBondContact O-N 2.89Å; R286-K289 PolarHBondContact O-N 2.88Å; R286-M290 WeakPolarHBondContact O-CB 3.47Å; R286-M290 PolarHBondContact O-N 3.12Å
287V85.5Confident85.8Confident57 Ų5765.5 Ų65.535%0.34533%0.331SS..Hα-helixtrans-63.3-46.9175.7176.40000110.8L230 S283 R284 K289 M290 L291L230-V287 HydrophobicContact CD1-CB 4.49Å; L230-V287 HydrophobicContact CD1-CG1 4.07Å; S283-V287 WeakPolarHBondContact O-CG2 3.37Å; S283-V287 PolarHBondContact O-N 2.85Å; R284-V287 PolarHBondContact O-N 3.01Å; R284-V287 VanDerWaalsContact O-N 3.15Å; V287-K289 VanDerWaalsContact C-N 3.33Å; V287-K289 PolarHBondContact O-N 3.26Å; V287-M290 WeakPolarHBondContact O-CB 3.45Å; V287-M290 PolarHBondContact O-N 2.77Å; V287-M290 VanDerWaalsContact O-N 3.15Å; V287-L291 HydrophobicContact CG1-CD1 4.16Å; V287-L291 HydrophobicContact CG1-CG 4.3Å; V287-L291 WeakPolarHBondContact O-CG 3.3Å; V287-L291 PolarHBondContact O-N 3.04Å
288I87.7Confident87Confident15 Ų1563.2 Ų63.28%0.07732%0.318CS..Hα-helixtrans-56.3-48.9176.7-64.9170.2000110.6C227 L230 W231 R284 R285 M290 L291 I292C227-I288 HydrophobicContact CB-CG2 4.18Å; L230-I288 HydrophobicContact CB-CD1 3.72Å; L230-I288 HydrophobicContact CB-CG1 3.83Å; L230-I288 HydrophobicContact CD1-CG1 3.93Å; W231-I288 HydrophobicContact CB-CD1 4.28Å; W231-I288 HydrophobicContact CE3-CD1 4.29Å; R284-I288 WeakPolarHBondContact O-CG1 3.47Å; R284-I288 PolarHBondContact O-N 3.48Å; R285-I288 PolarHBondContact O-N 2.98Å; I288-M290 VanDerWaalsContact C-N 3.32Å; I288-M290 PolarHBondContact O-N 3.4Å; I288-L291 PolarHBondContact O-N 2.92Å; I288-I292 HydrophobicContact CG2-CD1 3.86Å; I288-I292 WeakPolarHBondContact O-CG1 3.25Å; I288-I292 PolarHBondContact O-N 3.37Å
289K89.8Confident88.1Confident141 Ų14164.5 Ų64.561%0.61332%0.318SS*.Hα-helixtrans-59.9-42.5178.3-173.7176.6178.4178.20111.6R285 R286 V287 M293R285-K289 PolarHBondContact O-N 3.41Å; R286-K289 PolarHBondContact O-N 2.88Å; V287-K289 VanDerWaalsContact C-N 3.33Å; V287-K289 PolarHBondContact O-N 3.26Å; K289-M293 WeakPolarHBondContact O-CG 3.43Å; K289-M293 PolarHBondContact O-N 2.91Å
290M89.6Confident89Confident47 Ų4766.4 Ų66.423%0.23232%0.323CS..Hα-helixtrans-58.4-50.2175.3174.3-170.617300111.4R286 V287 I288 I292 M293 V294 F353 T356R286-M290 WeakPolarHBondContact O-CB 3.47Å; R286-M290 PolarHBondContact O-N 3.12Å; V287-M290 WeakPolarHBondContact O-CB 3.45Å; V287-M290 PolarHBondContact O-N 2.77Å; V287-M290 VanDerWaalsContact O-N 3.15Å; I288-M290 VanDerWaalsContact C-N 3.32Å; I288-M290 PolarHBondContact O-N 3.4Å; M290-I292 VanDerWaalsContact C-N 3.34Å; M290-I292 PolarHBondContact O-N 3.09Å; M290-M293 PolarHBondContact O-N 3.46Å; M290-M293 VanDerWaalsContact O-N 3.13Å; M290-V294 WeakPolarHBondContact O-CG2 3.36Å; M290-V294 PolarHBondContact O-N 2.92Å; M290-F353 HydrophobicContact CE-CD2 4.46Å; M290-T356 HydrophobicContact CB-CG2 3.75Å; M290-T356 HydrophobicContact CG-CG2 3.79Å; M290-T356 HydrophobicContact SD-CG2 4.43Å; M290-T356 PolarHBondContact SD-OG1 3.47Å
291L91.3Very high90Very high5 Ų563.3 Ų63.33%0.02630%0.304CS..Hα-helixtrans-62.7-40.1-177.2-64.9-178.5000112.4Y223 V226 V287 I288 M293 V294 L295Y223-L291 HydrophobicContact CD1-CD1 3.98Å; Y223-L291 HydrophobicContact CD1-CD2 3.76Å; Y223-L291 HydrophobicContact CD1-CG 4.29Å; Y223-L291 HydrophobicContact CD2-CD2 4.49Å; Y223-L291 HydrophobicContact CE1-CD1 4.43Å; Y223-L291 HydrophobicContact CE1-CD2 3.48Å; Y223-L291 VanDerWaalsContact CE1-CD2 3.48Å; Y223-L291 HydrophobicContact CE1-CG 4.47Å; Y223-L291 HydrophobicContact CE2-CD2 4.26Å; Y223-L291 HydrophobicContact CG-CB 4.35Å; Y223-L291 HydrophobicContact CG-CD2 4.26Å; V226-L291 HydrophobicContact CB-CD1 4.17Å; V226-L291 HydrophobicContact CG1-CD1 3.46Å; V226-L291 VanDerWaalsContact CG1-CD1 3.46Å; V287-L291 HydrophobicContact CG1-CD1 4.16Å; V287-L291 HydrophobicContact CG1-CG 4.3Å; V287-L291 WeakPolarHBondContact O-CG 3.3Å; V287-L291 PolarHBondContact O-N 3.04Å; I288-L291 PolarHBondContact O-N 2.92Å; L291-M293 VanDerWaalsContact C-N 3.35Å; L291-V294 PolarHBondContact O-N 3.37Å; L291-L295 PolarHBondContact O-N 3.47Å
292I93.4Very high90.8Very high74 Ų7461.2 Ų61.238%0.37929%0.293SS..Hα-helixtrans-62.5-44.1174-66.6169.7000110.5I288 M290 V294 L295 L296I288-I292 HydrophobicContact CG2-CD1 3.86Å; I288-I292 WeakPolarHBondContact O-CG1 3.25Å; I288-I292 PolarHBondContact O-N 3.37Å; M290-I292 VanDerWaalsContact C-N 3.34Å; M290-I292 PolarHBondContact O-N 3.09Å; I292-V294 VanDerWaalsContact C-N 3.33Å; I292-V294 PolarHBondContact O-N 2.91Å; I292-L295 PolarHBondContact O-N 3.43Å; I292-L296 HydrophobicContact CG2-CD1 3.93Å; I292-L296 HydrophobicContact CG2-CG 4.35Å; I292-L296 WeakPolarHBondContact O-CG 3.29Å; I292-L296 PolarHBondContact O-N 3.25Å
293M94.3Very high91.6Very high73 Ų7356.3 Ų56.336%0.3627%0.272SS..Hα-helixtrans-63.5-38.6178.2-68.5-67.3134.900112K289 M290 L291 L295 L296 V297 L352K289-M293 WeakPolarHBondContact O-CG 3.43Å; K289-M293 PolarHBondContact O-N 2.91Å; M290-M293 PolarHBondContact O-N 3.46Å; M290-M293 VanDerWaalsContact O-N 3.13Å; L291-M293 VanDerWaalsContact C-N 3.35Å; M293-L295 PolarHBondContact O-N 2.9Å; M293-L296 HydrophobicContact CE-CD1 4.09Å; M293-L296 PolarHBondContact O-N 3Å; M293-L296 HydrophobicContact SD-CD1 4.48Å; M293-V297 WeakPolarHBondContact O-CB 3.3Å; M293-V297 VanDerWaalsContact O-CG2 3.23Å; M293-V297 WeakPolarHBondContact O-CG2 3.16Å; M293-V297 PolarHBondContact O-N 3.17Å; M293-L352 HydrophobicContact CB-CD1 3.81Å; M293-L352 HydrophobicContact CB-CD2 3.82Å; M293-L352 HydrophobicContact CB-CG 4.49Å; M293-L352 HydrophobicContact CG-CD1 4.44Å
294V92.7Very high92.3Very high25 Ų2554.8 Ų54.815%0.15226%0.26CS..Hα-helixtrans-59.5-46.5175.2171.40000111M219 Y223 M290 L291 I292 V297 F298 L352M219-V294 HydrophobicContact CE-CG1 4.17Å; Y223-V294 HydrophobicContact CE2-CG1 4.12Å; M290-V294 WeakPolarHBondContact O-CG2 3.36Å; M290-V294 PolarHBondContact O-N 2.92Å; L291-V294 PolarHBondContact O-N 3.37Å; I292-V294 VanDerWaalsContact C-N 3.33Å; I292-V294 PolarHBondContact O-N 2.91Å; V294-V297 PolarHBondContact O-N 2.9Å; V294-F298 WeakPolarHBondContact O-CB 3.32Å; V294-F298 PolarHBondContact O-N 3.06Å; V294-L352 HydrophobicContact CB-CD2 4.42Å; V294-L352 HydrophobicContact CG2-CD2 3.6Å
295L95.5Very high92.8Very high17 Ų1753.1 Ų53.19%0.08926%0.255CS..Hα-helixtrans-62.3-44.2177.5-72.3169.4000112.4F216 M219 M220 Y223 L291 I292 M293 F298 F299F216-L295 HydrophobicContact CE2-CD2 4.37Å; M219-L295 HydrophobicContact CB-CD2 3.72Å; M219-L295 HydrophobicContact CE-CD2 4.47Å; M220-L295 HydrophobicContact CG-CD2 4.29Å; M220-L295 HydrophobicContact SD-CD1 3.79Å; M220-L295 HydrophobicContact SD-CD2 4.07Å; M220-L295 HydrophobicContact SD-CG 4.37Å; Y223-L295 HydrophobicContact CD2-CD1 4.33Å; Y223-L295 HydrophobicContact CD2-CD2 3.98Å; Y223-L295 HydrophobicContact CD2-CG 3.94Å; L291-L295 PolarHBondContact O-N 3.47Å; I292-L295 PolarHBondContact O-N 3.43Å; M293-L295 PolarHBondContact O-N 2.9Å; L295-F298 PolarHBondContact O-N 2.95Å; L295-F299 WeakPolarHBondContact O-CB 3.42Å; L295-F299 PolarHBondContact O-N 2.98Å
296L96.3Very high93.3Very high87 Ų8745.1 Ų45.146%0.45523%0.225SC..Hα-helixtrans-65.1-43.7179.7-71.6174.2000111.8I292 M293 F299 V300I292-L296 HydrophobicContact CG2-CD1 3.93Å; I292-L296 HydrophobicContact CG2-CG 4.35Å; I292-L296 WeakPolarHBondContact O-CG 3.29Å; I292-L296 PolarHBondContact O-N 3.25Å; M293-L296 HydrophobicContact CE-CD1 4.09Å; M293-L296 PolarHBondContact O-N 3Å; M293-L296 HydrophobicContact SD-CD1 4.48Å; L296-F299 PolarHBondContact O-N 3.47Å; L296-V300 WeakPolarHBondContact O-CB 3.27Å; L296-V300 VanDerWaalsContact O-CG2 3.3Å; L296-V300 WeakPolarHBondContact O-CG2 3.31Å; L296-V300 PolarHBondContact O-N 3.23Å
297V95.8Very high93.7Very high28 Ų2843 Ų4317%0.1723%0.226CC..Hα-helixtrans-63.9-43.8178172.80000110.4M293 V294 F299 C301 Y345 I348M293-V297 WeakPolarHBondContact O-CB 3.3Å; M293-V297 VanDerWaalsContact O-CG2 3.23Å; M293-V297 WeakPolarHBondContact O-CG2 3.16Å; M293-V297 PolarHBondContact O-N 3.17Å; V294-V297 PolarHBondContact O-N 2.9Å; V297-F299 PolarHBondContact O-N 3.12Å; V297-C301 VanDerWaalsContact O-CB 3.23Å; V297-C301 WeakPolarHBondContact O-CB 3.45Å; V297-C301 PolarHBondContact O-N 3.02Å; V297-C301 PolarHBondContact O-SG 2.99Å; V297-Y345 HydrophobicContact CG1-CD2 3.87Å; V297-Y345 HydrophobicContact CG1-CE2 3.75Å; V297-I348 HydrophobicContact CB-CG2 4.4Å; V297-I348 HydrophobicContact CG1-CB 4.16Å; V297-I348 HydrophobicContact CG1-CG2 3.56Å; V297-I348 HydrophobicContact CG2-CG2 3.82Å
298F95.7Very high94.1Very high0 Ų042.9 Ų42.90%022%0.22CC..Hα-helixtrans-58.5-48.3174.7-173.3-90.2000111.6M121 V122 F212 F216 V294 L295 W302 Y345M121-F298 HydrophobicContact CE-CE2 4.17Å; V122-F298 HydrophobicContact CG1-CE2 4.14Å; V122-F298 HydrophobicContact CG1-CZ 3.85Å; V122-F298 HydrophobicContact CG2-CE2 4.02Å; V122-F298 HydrophobicContact CG2-CZ 4.15Å; F212-F298 HydrophobicContact CD2-CD1 4.22Å; F212-F298 AromaticContact CD2-CE1 3.57Å; F212-F298 HydrophobicContact CD2-CE1 3.57Å; F212-F298 HydrophobicContact CD2-CZ 4.32Å; F212-F298 HydrophobicContact CE2-CD1 4.15Å; F212-F298 AromaticContact CE2-CE1 3.93Å; F212-F298 HydrophobicContact CE2-CE1 3.93Å; F216-F298 HydrophobicContact CB-CD1 4.35Å; F216-F298 HydrophobicContact CB-CE1 3.98Å; F216-F298 AromaticContact CD2-CD1 3.63Å; F216-F298 HydrophobicContact CD2-CD1 3.63Å; F216-F298 HydrophobicContact CD2-CE1 4.14Å; F216-F298 HydrophobicContact CE2-CD1 4.42Å; F216-F298 HydrophobicContact CG-CD1 4.39Å; F216-F298 HydrophobicContact CG-CE1 4.49Å; V294-F298 WeakPolarHBondContact O-CB 3.32Å; V294-F298 PolarHBondContact O-N 3.06Å; L295-F298 PolarHBondContact O-N 2.95Å; F298-W302 HydrophobicContact CE2-CG 4.32Å; F298-W302 HydrophobicContact CZ-CG 4.47Å; F298-W302 WeakPolarHBondContact O-CB 3.28Å; F298-W302 PolarHBondContact O-N 3.49Å; F298-Y345 HydrophobicContact CB-CE2 4.33Å; F298-Y345 HydrophobicContact CD2-CE2 4.34Å
299F97.1Very high94.2Very high90 Ų9042.8 Ų42.840%0.39522%0.22SC..Hα-helixtrans-60.2-52.1179.1-177-94.7000112.5F212 F216 L295 L296 V297 S303F212-F299 HydrophobicContact CE2-CD2 4.34Å; F212-F299 AromaticContact CZ-CD2 3.72Å; F212-F299 HydrophobicContact CZ-CD2 3.72Å; F212-F299 HydrophobicContact CZ-CE2 4.03Å; F216-F299 AromaticContact CE1-CD2 3.86Å; F216-F299 HydrophobicContact CE1-CD2 3.86Å; F216-F299 HydrophobicContact CE1-CE2 4.47Å; F216-F299 HydrophobicContact CE2-CB 3.88Å; F216-F299 HydrophobicContact CE2-CD2 4.21Å; F216-F299 HydrophobicContact CZ-CB 4Å; F216-F299 AromaticContact CZ-CD2 3.65Å; F216-F299 HydrophobicContact CZ-CD2 3.65Å; F216-F299 HydrophobicContact CZ-CG 4.19Å; L295-F299 WeakPolarHBondContact O-CB 3.42Å; L295-F299 PolarHBondContact O-N 2.98Å; L296-F299 PolarHBondContact O-N 3.47Å; V297-F299 PolarHBondContact O-N 3.12Å; F299-S303 WeakPolarHBondContact O-CB 3.46Å; F299-S303 PolarHBondContact O-N 3.32Å; F299-S303 PolarHBondContact O-OG 3.4Å
300V96.7Very high94.4Very high77 Ų7736.7 Ų36.747%0.46720%0.195SC..Hα-helixtrans-68.4-38.5-175.1172.20000111.6L296 P304L296-V300 WeakPolarHBondContact O-CB 3.27Å; L296-V300 VanDerWaalsContact O-CG2 3.3Å; L296-V300 WeakPolarHBondContact O-CG2 3.31Å; L296-V300 PolarHBondContact O-N 3.23Å; V300-P304 WeakPolarHBondContact O-CD 3.38Å; V300-P304 WeakPolarHBondContact O-CG 3.39Å
301C96.7Very high94.4Very high4 Ų437.7 Ų37.73%0.02720%0.198CC..Hα-helixtrans-75.6-38.7-178.8-71.90000113.1V297 L341 V342 Y345V297-C301 VanDerWaalsContact O-CB 3.23Å; V297-C301 WeakPolarHBondContact O-CB 3.45Å; V297-C301 PolarHBondContact O-N 3.02Å; V297-C301 PolarHBondContact O-SG 2.99Å; C301-L341 PolarHBondContact SG-O 2.84Å; C301-L341 VanDerWaalsContact SG-O 3.41Å; C301-V342 WeakPolarHBondContact O-CG2 3.49Å; C301-Y345 HydrophobicContact CB-CD2 3.58Å; C301-Y345 HydrophobicContact CB-CE2 4.48Å; C301-Y345 HydrophobicContact CB-CG 4.3Å
302W96.1Very high94.1Very high4 Ų439.1 Ų39.12%0.01521%0.205CC..Hα-helixtrans-97.3-37.2-170.8-7475000114.4L80 Q118 M121 V122 F212 F298 L306 V342 Y345L80-W302 HydrophobicContact CD1-CH2 4.43Å; L80-W302 HydrophobicContact CD2-CH2 4.4Å; L80-W302 HydrophobicContact CD2-CZ2 3.76Å; Q118-W302 HydrophobicContact CB-CH2 3.79Å; Q118-W302 HydrophobicContact CB-CZ3 4.12Å; Q118-W302 HydrophobicContact CG-CH2 3.77Å; Q118-W302 HydrophobicContact CG-CZ3 4.18Å; M121-W302 VanDerWaalsContact CE-CE2 3.5Å; M121-W302 HydrophobicContact CE-CH2 3.76Å; M121-W302 HydrophobicContact CE-CZ2 3.07Å; M121-W302 HydrophobicContact SD-CZ2 3.65Å; V122-W302 HydrophobicContact CG2-CE3 4.48Å; V122-W302 HydrophobicContact CG2-CH2 4.09Å; V122-W302 HydrophobicContact CG2-CZ2 4.43Å; V122-W302 HydrophobicContact CG2-CZ3 4.13Å; F212-W302 HydrophobicContact CD2-CB 3.9Å; F212-W302 HydrophobicContact CE2-CB 4.34Å; F298-W302 HydrophobicContact CE2-CG 4.32Å; F298-W302 HydrophobicContact CZ-CG 4.47Å; F298-W302 WeakPolarHBondContact O-CB 3.28Å; F298-W302 PolarHBondContact O-N 3.49Å; W302-L306 HydrophobicContact CE3-CD1 4.44Å; W302-L306 WeakPolarHBondContact O-CG 3.07Å; W302-L306 PolarHBondContact O-N 3.29Å; W302-V342 HydrophobicContact CH2-CG1 4.45Å; W302-V342 HydrophobicContact CZ2-CG1 4.18Å; W302-Y345 AromaticContact CD1-CD2 3.87Å; W302-Y345 AromaticContact NE1-CD1 3.69Å; W302-Y345 AromaticContact NE1-CD2 3.62Å; W302-Y345 AromaticContact NE1-CE2 3.91Å; W302-Y345 AromaticContact NE1-CG 3.48Å
303S96.3Very high93.9Very high15 Ų1535.7 Ų35.711%0.10519%0.188CC..Hα-helixtrans-62.3-43.5-172.769.50000114.3F212 F299 K305 L306 V307F212-S303 VanDerWaalsContact CZ-CB 3.46Å; F299-S303 WeakPolarHBondContact O-CB 3.46Å; F299-S303 PolarHBondContact O-N 3.32Å; F299-S303 PolarHBondContact O-OG 3.4Å; S303-K305 VanDerWaalsContact C-N 3.33Å; S303-K305 PolarHBondContact O-N 2.87Å; S303-L306 PolarHBondContact O-N 3.36Å; S303-V307 VanDerWaalsContact O-CG2 3.31Å; S303-V307 WeakPolarHBondContact O-CG2 3.24Å; S303-V307 PolarHBondContact O-N 3.48Å
304P95.2Very high93.6Very high31 Ų3136.2 Ų36.220%0.20119%0.19CC..Hα-helixtrans-63.8-41.7-173-21.935.6000111.5V300 L306 V307 F308 A338 L341V300-P304 WeakPolarHBondContact O-CD 3.38Å; V300-P304 WeakPolarHBondContact O-CG 3.39Å; P304-L306 PolarHBondContact O-N 2.85Å; P304-V307 PolarHBondContact O-N 3.35Å; P304-F308 HydrophobicContact CB-CD2 4.32Å; P304-F308 HydrophobicContact CB-CE2 4.02Å; P304-F308 WeakPolarHBondContact O-CB 3.44Å; P304-F308 WeakPolarHBondContact O-CD2 3.4Å; P304-F308 WeakPolarHBondContact O-CG 3.45Å; P304-F308 PolarHBondContact O-N 3.45Å; P304-A338 HydrophobicContact CB-CB 3.82Å; P304-L341 HydrophobicContact CG-CD1 4.38Å
305K93.7Very high93.1Very high33 Ų3336.3 Ų36.314%0.14319%0.191CC..Hα-helixtrans-62.9-48-176.9-174.2-171.1-179-630110.5S303 V307 F308 D309 A338 V342S303-K305 VanDerWaalsContact C-N 3.33Å; S303-K305 PolarHBondContact O-N 2.87Å; K305-V307 PolarHBondContact O-N 3.01Å; K305-F308 PolarHBondContact O-N 3.43Å; K305-D309 IonicContact NZ-OD2 2.67Å; K305-D309 PolarHBondContact NZ-OD2 3.19Å; K305-D309 VanDerWaalsContact O-CB 3.31Å; K305-D309 WeakPolarHBondContact O-CB 3.25Å; K305-D309 VanDerWaalsContact O-CG 3.23Å; K305-D309 PolarHBondContact O-N 2.93Å; K305-A338 HydrophobicContact CB-CB 3.87Å; K305-V342 HydrophobicContact CB-CG2 4.06Å; K305-V342 HydrophobicContact CD-CB 4.41Å; K305-V342 HydrophobicContact CD-CG2 3.75Å
306L95.1Very high92.4Very high4 Ų438.4 Ų38.42%0.02121%0.211CC..Hα-helixtrans-67.5-37.3-176.6-63.3172.2000111.9R207 L208 F212 W302 S303 P304 V310R207-L306 HydrophobicContact CB-CD2 3.66Å; L208-L306 HydrophobicContact CB-CB 4.4Å; L208-L306 HydrophobicContact CD1-CB 3.71Å; F212-L306 HydrophobicContact CB-CD1 3.29Å; F212-L306 HydrophobicContact CD2-CD1 4.35Å; F212-L306 HydrophobicContact CG-CD1 3.92Å; W302-L306 HydrophobicContact CE3-CD1 4.44Å; W302-L306 WeakPolarHBondContact O-CG 3.07Å; W302-L306 PolarHBondContact O-N 3.29Å; S303-L306 PolarHBondContact O-N 3.36Å; P304-L306 PolarHBondContact O-N 2.85Å; L306-V310 WeakPolarHBondContact O-CG2 3.13Å; L306-V310 PolarHBondContact O-N 3.12Å
307V94.1Very high91.5Very high77 Ų7738.5 Ų38.547%0.46721%0.212SC..Hα-helixtrans-68-47.5176172.10000111.1S303 P304 K305 D309 V310 K311S303-V307 VanDerWaalsContact O-CG2 3.31Å; S303-V307 WeakPolarHBondContact O-CG2 3.24Å; S303-V307 PolarHBondContact O-N 3.48Å; P304-V307 PolarHBondContact O-N 3.35Å; K305-V307 PolarHBondContact O-N 3.01Å; V307-D309 VanDerWaalsContact C-N 3.32Å; V307-D309 PolarHBondContact O-N 3.35Å; V307-V310 PolarHBondContact O-N 2.96Å; V307-K311 PolarHBondContact O-N 2.84Å
308F92.5Very high90.8Very high54 Ų5441.3 Ų41.324%0.23723%0.233CC..Hα-helixtrans-66.2-34.2178.9-64.8-47.3000112.6P304 K305 K311 N312 L331 A334 R335 A338P304-F308 HydrophobicContact CB-CD2 4.32Å; P304-F308 HydrophobicContact CB-CE2 4.02Å; P304-F308 WeakPolarHBondContact O-CB 3.44Å; P304-F308 WeakPolarHBondContact O-CD2 3.4Å; P304-F308 WeakPolarHBondContact O-CG 3.45Å; P304-F308 PolarHBondContact O-N 3.45Å; K305-F308 PolarHBondContact O-N 3.43Å; F308-K311 PolarHBondContact O-N 3.09Å; F308-N312 VanDerWaalsContact O-CB 3.26Å; F308-N312 WeakPolarHBondContact O-CB 3.44Å; F308-N312 PolarHBondContact O-N 2.9Å; F308-L331 HydrophobicContact CB-CD1 4.43Å; F308-L331 HydrophobicContact CD1-CD1 4.11Å; F308-A334 HydrophobicContact CD2-CB 4.15Å; F308-A334 HydrophobicContact CE1-CB 4.31Å; F308-A334 HydrophobicContact CE2-CB 3.86Å; F308-A334 HydrophobicContact CZ-CB 3.95Å; F308-R335 HydrophobicContact CB-CG 3.53Å; F308-R335 HydrophobicContact CG-CG 4.42Å; F308-A338 HydrophobicContact CD2-CB 3.97Å; F308-A338 HydrophobicContact CE2-CB 4.37Å
309D90.8Very high89.6Confident12 Ų1244.3 Ų44.36%0.06426%0.264CS..Hα-helixtrans-66.4-36.4175.3-78.5-21.1000112.8S204 K305 V307 A313 R335S204-D309 PolarHBondContact OG-O 3.44Å; K305-D309 IonicContact NZ-OD2 2.67Å; K305-D309 PolarHBondContact NZ-OD2 3.19Å; K305-D309 VanDerWaalsContact O-CB 3.31Å; K305-D309 WeakPolarHBondContact O-CB 3.25Å; K305-D309 VanDerWaalsContact O-CG 3.23Å; K305-D309 PolarHBondContact O-N 2.93Å; V307-D309 VanDerWaalsContact C-N 3.32Å; V307-D309 PolarHBondContact O-N 3.35Å; D309-A313 WeakPolarHBondContact O-CB 3.46Å; D309-A313 PolarHBondContact O-N 2.92Å; D309-R335 IonicContact OD1-CZ 3.55Å; D309-R335 IonicContact OD1-NE 2.82Å; D309-R335 PolarHBondContact OD1-NE 2.99Å; D309-R335 IonicContact OD1-NH2 3.94Å; D309-R335 PolarHBondContact OD1-NH2 3.32Å
310V92.7Very high88.3Confident14 Ų1443.6 Ų43.69%0.08527%0.269CS..Hα-helixtrans-67.4-50.2172.8170.10000110L201 K205 L208 L306 V307 N312 A313 E314L201-V310 HydrophobicContact CD1-CG1 4.26Å; K205-V310 HydrophobicContact CG-CG2 4.35Å; L208-V310 HydrophobicContact CB-CG2 4.29Å; L208-V310 HydrophobicContact CD2-CG2 4.02Å; L306-V310 WeakPolarHBondContact O-CG2 3.13Å; L306-V310 PolarHBondContact O-N 3.12Å; V307-V310 PolarHBondContact O-N 2.96Å; V310-N312 VanDerWaalsContact C-N 3.31Å; V310-N312 PolarHBondContact O-N 3.15Å; V310-A313 WeakPolarHBondContact O-CB 3.4Å; V310-A313 PolarHBondContact O-N 3.38Å; V310-E314 HydrophobicContact CG1-CG 4.29Å; V310-E314 WeakPolarHBondContact O-CG 3.36Å; V310-E314 PolarHBondContact O-N 2.86Å
311K89.9Confident86.4Confident67 Ų6746.1 Ų46.129%0.29129%0.285SS..Hα-helixtrans-60-41.6-178.5-175.2174.3179.1-178.80112.6V307 F308 A313 E314 C315V307-K311 PolarHBondContact O-N 2.84Å; F308-K311 PolarHBondContact O-N 3.09Å; K311-A313 VanDerWaalsContact C-N 3.31Å; K311-A313 PolarHBondContact O-N 2.72Å; K311-E314 PolarHBondContact O-N 2.9Å; K311-C315 WeakPolarHBondContact O-CB 3.37Å; K311-C315 PolarHBondContact O-N 3.44Å
312N86Confident84.3Confident36 Ų3650.5 Ų50.519%0.19331%0.312CS..Hα-helixtrans-63.5-38.9175.7-172.479.1000111.9F308 V310 C315 A316 L331 R335F308-N312 VanDerWaalsContact O-CB 3.26Å; F308-N312 WeakPolarHBondContact O-CB 3.44Å; F308-N312 PolarHBondContact O-N 2.9Å; V310-N312 VanDerWaalsContact C-N 3.31Å; V310-N312 PolarHBondContact O-N 3.15Å; N312-C315 PolarHBondContact O-N 2.96Å; N312-A316 WeakPolarHBondContact O-CB 3.39Å; N312-A316 PolarHBondContact O-N 3.45Å; N312-L331 HydrophobicContact CB-CD2 3.97Å; N312-L331 WeakPolarHBondContact OD1-CD2 3.35Å; N312-R335 PolarHBondContact ND2-NH1 3.47Å
313A88Confident82Confident2 Ų252.2 Ų52.22%0.01733%0.331CS..Hα-helixtrans-69-39.3176.900000112.5R200 L201 D309 V310 K311 C315 A316 D317R200-A313 HydrophobicContact CB-CB 4.09Å; L201-A313 HydrophobicContact CB-CB 4.06Å; L201-A313 HydrophobicContact CD1-CB 4.08Å; D309-A313 WeakPolarHBondContact O-CB 3.46Å; D309-A313 PolarHBondContact O-N 2.92Å; V310-A313 WeakPolarHBondContact O-CB 3.4Å; V310-A313 PolarHBondContact O-N 3.38Å; K311-A313 VanDerWaalsContact C-N 3.31Å; K311-A313 PolarHBondContact O-N 2.72Å; A313-C315 VanDerWaalsContact C-N 3.34Å; A313-A316 PolarHBondContact O-N 3.33Å; A313-D317 PolarHBondContact O-N 3.32Å
314E88.2Confident79.8Confident83 Ų8358.1 Ų58.139%0.38837%0.366SS..Hα-helixtrans-63.5-41174.4-69.2178.6160.800111.7L201 V310 K311 A316 D317 S318L201-E314 HydrophobicContact CD1-CG 3.45Å; L201-E314 VanDerWaalsContact CD1-CG 3.45Å; L201-E314 HydrophobicContact CD2-CG 4.35Å; V310-E314 HydrophobicContact CG1-CG 4.29Å; V310-E314 WeakPolarHBondContact O-CG 3.36Å; V310-E314 PolarHBondContact O-N 2.86Å; K311-E314 PolarHBondContact O-N 2.9Å; E314-A316 VanDerWaalsContact C-N 3.32Å; E314-A316 PolarHBondContact O-N 2.91Å; E314-D317 PolarHBondContact O-N 3.37Å; E314-S318 VanDerWaalsContact O-CB 3.27Å; E314-S318 WeakPolarHBondContact O-CB 3.49Å; E314-S318 PolarHBondContact O-N 3.01Å; E314-S318 PolarHBondContact O-OG 3.48Å
315C82.8Confident77.4Confident28 Ų2864.1 Ų64.119%0.18940%0.396CS..Hα-helixtrans-61.1-42.1175.4-167.10000111.7K311 N312 A313 G319 C320K311-C315 WeakPolarHBondContact O-CB 3.37Å; K311-C315 PolarHBondContact O-N 3.44Å; N312-C315 PolarHBondContact O-N 2.96Å; A313-C315 VanDerWaalsContact C-N 3.34Å; C315-G319 PolarHBondContact O-N 3.04Å; C315-C320 PolarHBondContact O-N 3.3Å; C315-C320 PolarHBondContact SG-O 2.82Å
316A80Confident75.3Confident61 Ų6170 Ų7050%0.50442%0.424SS..Hα-helixtrans-66.4-42.5178.300000112.6N312 A313 E314N312-A316 WeakPolarHBondContact O-CB 3.39Å; N312-A316 PolarHBondContact O-N 3.45Å; A313-A316 PolarHBondContact O-N 3.33Å; E314-A316 VanDerWaalsContact C-N 3.32Å; E314-A316 PolarHBondContact O-N 2.91Å
317D78.3Confident73Confident88 Ų8876.8 Ų76.847%0.47145%0.449SS..Hα-helixtrans-71-32.9178.6-75.9-7.3000112.3L201 A313 E314L201-D317 WeakPolarHBondContact CB-OD2 3.41Å; A313-D317 PolarHBondContact O-N 3.32Å; E314-D317 PolarHBondContact O-N 3.37Å
318S79.7Confident70.9Confident88 Ų8879.5 Ų79.562%0.61547%0.469SS*.Hα-helixtrans-85-7.9-176.8-49.20000113.6E314 C320E314-S318 VanDerWaalsContact O-CB 3.27Å; E314-S318 WeakPolarHBondContact O-CB 3.49Å; E314-S318 PolarHBondContact O-N 3.01Å; E314-S318 PolarHBondContact O-OG 3.48Å; S318-C320 PolarHBondContact O-N 3.42Å
319G71.4Confident69.3Low63 Ų6381.8 Ų81.865%0.64948%0.482SS*.THydrogen-bonded Turntrans6623.9-176.400000113.8C315 T321C315-G319 PolarHBondContact O-N 3.04Å; G319-T321 PolarHBondContact O-N 3.43Å
320C70.3Confident68.4Low75 Ų7586 Ų8651%0.50751%0.505SS..  trans-68.4124.4179-57.80000109C315 S318 T322C315-C320 PolarHBondContact O-N 3.3Å; C315-C320 PolarHBondContact SG-O 2.82Å; S318-C320 PolarHBondContact O-N 3.42Å; C320-T322 PolarHBondContact O-N 3.48Å
321T56.3Low67.6Low129 Ų12986.3 Ų86.379%0.79151%0.506SS*.  trans-66.5115.1162.149.80000106.6G319 G323G319-T321 PolarHBondContact O-N 3.43Å; T321-G323 PolarHBondContact O-N 3.48Å
322T53.4Low66.9Low97 Ų9787.8 Ų87.860%0.59552%0.517SS*.  trans-62.284.5164.342.30000107C320 V324C320-T322 PolarHBondContact O-N 3.48Å; T322-V324 PolarHBondContact O-N 2.89Å; T322-V324 VanDerWaalsContact O-N 3.12Å
323G46.6Very low66.6Low40 Ų4089.7 Ų89.741%0.41253%0.53SS..  trans-54.2124.9168.300000105.9T321 N325 E326T321-G323 PolarHBondContact O-N 3.48Å; G323-N325 PolarHBondContact O-N 3.22Å; G323-E326 PolarHBondContact O-N 2.91Å
324V50Low66.5Low139 Ų13990.2 Ų90.284%0.84254%0.535SS*.THydrogen-bonded Turntrans-49.2-6.7176.8176.10000113T322T322-V324 PolarHBondContact O-N 2.89Å; T322-V324 VanDerWaalsContact O-N 3.12Å
325N44.3Very low66.4Low156 Ų15689.8 Ų89.883%0.83453%0.529SS*.THydrogen-bonded Turntrans-106.9-7.2-172.3-58.9-21.8000115.9G323G323-N325 PolarHBondContact O-N 3.22Å
326E49.9Very low66.5Low156 Ų15690.7 Ų90.773%0.72953%0.532SS*.SBendtrans-89-20-176.3-88.1-171.7170.900114.9G323G323-E326 PolarHBondContact O-N 2.91Å
327W47.7Very low67Low147 Ų14794.1 Ų94.156%0.55754%0.536SS*.  trans-131128.8176.7-67.381.9000109.6I329W327-I329 WeakPolarHBondContact CB-O 3.4Å; W327-I329 PolarHBondContact O-N 3.4Å
328P49Very low67.7Low135 Ų13589.9 Ų89.988%0.87751%0.513SS*.SBendtrans-66.4-8.1178.826.2-33000112.9
329I58.9Low68.3Low101 Ų10186.2 Ų86.252%0.51849%0.489SS..SBendtrans-127.3127.6176.2-54.5173000106.4W327 L331 T333 A334W327-I329 WeakPolarHBondContact CB-O 3.4Å; W327-I329 PolarHBondContact O-N 3.4Å; I329-L331 PolarHBondContact O-N 2.94Å; I329-T333 HydrophobicContact CG2-CG2 4.08Å; I329-A334 HydrophobicContact CG2-CB 4.28Å
330D73.1Confident69.4Low100 Ų10084.3 Ų84.354%0.53547%0.465SS..  trans-52.4130.3172.7-177.77.8000110.2D332 T333 A334D330-D332 PolarHBondContact O-N 3.06Å; D330-D332 PolarHBondContact OD1-N 3.34Å; D330-T333 WeakPolarHBondContact O-CA 3.41Å; D330-T333 WeakPolarHBondContact O-CB 3.45Å; D330-T333 PolarHBondContact O-N 3.38Å; D330-A334 PolarHBondContact O-N 3.49Å
331L76.3Confident70.6Confident22 Ų2282.4 Ų82.412%0.11545%0.449CS..Hα-helixtrans-57.5-34.7-174.1-17961.6000111.1F308 N312 I329 A334 R335F308-L331 HydrophobicContact CB-CD1 4.43Å; F308-L331 HydrophobicContact CD1-CD1 4.11Å; N312-L331 HydrophobicContact CB-CD2 3.97Å; N312-L331 WeakPolarHBondContact OD1-CD2 3.35Å; I329-L331 PolarHBondContact O-N 2.94Å; L331-A334 PolarHBondContact O-N 3.44Å; L331-R335 WeakPolarHBondContact O-CB 3.44Å; L331-R335 VanDerWaalsContact O-CG 3.24Å; L331-R335 WeakPolarHBondContact O-CG 3.47Å; L331-R335 PolarHBondContact O-N 3.3Å
332D74Confident72.5Confident97 Ų9776.8 Ų76.852%0.51942%0.415SS..Hα-helixtrans-67.8-39.1176.5-72.3-29.7000111.9D330 R335 L336D330-D332 PolarHBondContact O-N 3.06Å; D330-D332 PolarHBondContact OD1-N 3.34Å; D332-R335 PolarHBondContact O-N 2.94Å; D332-R335 IonicContact OD1-NH1 3.34Å; D332-L336 WeakPolarHBondContact O-CB 3.38Å; D332-L336 PolarHBondContact O-N 3.03Å
333T80.7Confident74.5Confident76 Ų7672.7 Ų72.747%0.46639%0.39SS..Hα-helixtrans-64.5-41.6173.5-61.20000111.4I329 D330 L336 F337I329-T333 HydrophobicContact CG2-CG2 4.08Å; D330-T333 WeakPolarHBondContact O-CA 3.41Å; D330-T333 WeakPolarHBondContact O-CB 3.45Å; D330-T333 PolarHBondContact O-N 3.38Å; T333-L336 PolarHBondContact O-N 2.85Å; T333-F337 PolarHBondContact O-N 3.48Å
334A84.8Confident76.9Confident14 Ų1473.7 Ų73.712%0.11638%0.381CS..Hα-helixtrans-64.2-40.5177.100000111.9F308 I329 D330 L331 A338F308-A334 HydrophobicContact CD2-CB 4.15Å; F308-A334 HydrophobicContact CE1-CB 4.31Å; F308-A334 HydrophobicContact CE2-CB 3.86Å; F308-A334 HydrophobicContact CZ-CB 3.95Å; I329-A334 HydrophobicContact CG2-CB 4.28Å; D330-A334 PolarHBondContact O-N 3.49Å; L331-A334 PolarHBondContact O-N 3.44Å; A334-A338 VanDerWaalsContact O-CB 3.27Å; A334-A338 WeakPolarHBondContact O-CB 3.47Å; A334-A338 PolarHBondContact O-N 2.95Å
335R86Confident79.2Confident73 Ų7367.2 Ų67.228%0.27534%0.342SS..Hα-helixtrans-65.8-41.5175.3-73.4175.376.1-154.9-0.9112.1F308 D309 N312 L331 D332 A338 G339F308-R335 HydrophobicContact CB-CG 3.53Å; F308-R335 HydrophobicContact CG-CG 4.42Å; D309-R335 IonicContact OD1-CZ 3.55Å; D309-R335 IonicContact OD1-NE 2.82Å; D309-R335 PolarHBondContact OD1-NE 2.99Å; D309-R335 IonicContact OD1-NH2 3.94Å; D309-R335 PolarHBondContact OD1-NH2 3.32Å; N312-R335 PolarHBondContact ND2-NH1 3.47Å; L331-R335 WeakPolarHBondContact O-CB 3.44Å; L331-R335 VanDerWaalsContact O-CG 3.24Å; L331-R335 WeakPolarHBondContact O-CG 3.47Å; L331-R335 PolarHBondContact O-N 3.3Å; D332-R335 PolarHBondContact O-N 2.94Å; D332-R335 IonicContact OD1-NH1 3.34Å; R335-A338 PolarHBondContact O-N 3.07Å; R335-G339 PolarHBondContact O-N 3.36Å
336L86.6Confident81.7Confident47 Ų4759.9 Ų59.925%0.24630%0.302CS..Hα-helixtrans-59.3-52.9175.5-175.970.9000111L29 F38 D332 T333 A338 G339 V340L29-L336 HydrophobicContact CD1-CD2 3.43Å; L29-L336 VanDerWaalsContact CD1-CD2 3.43Å; L29-L336 HydrophobicContact CD2-CD2 4.18Å; L29-L336 HydrophobicContact CG-CD2 4.46Å; F38-L336 HydrophobicContact CE2-CD1 4.43Å; F38-L336 HydrophobicContact CZ-CD1 3.65Å; D332-L336 WeakPolarHBondContact O-CB 3.38Å; D332-L336 PolarHBondContact O-N 3.03Å; T333-L336 PolarHBondContact O-N 2.85Å; L336-A338 VanDerWaalsContact C-N 3.29Å; L336-A338 PolarHBondContact O-N 3.13Å; L336-G339 WeakPolarHBondContact O-CA 3.29Å; L336-G339 PolarHBondContact O-N 3.16Å; L336-G339 VanDerWaalsContact O-N 3.09Å; L336-V340 WeakPolarHBondContact O-CG2 3.49Å; L336-V340 PolarHBondContact O-N 3.14Å
337F90.1Very high84Confident133 Ų13353 Ų5358%0.58327%0.271SS*.Hα-helixtrans-57.2-44.8177.4176.6-101.2000111.7T333 G339 V340 L341T333-F337 PolarHBondContact O-N 3.48Å; F337-G339 VanDerWaalsContact C-N 3.33Å; F337-G339 PolarHBondContact O-N 2.65Å; F337-V340 PolarHBondContact O-N 3.05Å; F337-L341 HydrophobicContact CD1-CD1 4.15Å; F337-L341 HydrophobicContact CD1-CG 4.48Å; F337-L341 HydrophobicContact CE1-CD1 3.63Å; F337-L341 HydrophobicContact CE1-CD2 4.47Å; F337-L341 HydrophobicContact CE1-CG 4.09Å; F337-L341 HydrophobicContact CZ-CD1 4.18Å; F337-L341 HydrophobicContact CZ-CD2 4.19Å; F337-L341 HydrophobicContact CZ-CG 4.26Å; F337-L341 PolarHBondContact O-N 2.94Å; F337-L341 VanDerWaalsContact O-N 3.09Å
338A92.9Very high86.3Confident0 Ų048.8 Ų48.80%026%0.259CS..Hα-helixtrans-64.5-35.317700000113.2P304 K305 F308 A334 R335 L336 L341 V342P304-A338 HydrophobicContact CB-CB 3.82Å; K305-A338 HydrophobicContact CB-CB 3.87Å; F308-A338 HydrophobicContact CD2-CB 3.97Å; F308-A338 HydrophobicContact CE2-CB 4.37Å; A334-A338 VanDerWaalsContact O-CB 3.27Å; A334-A338 WeakPolarHBondContact O-CB 3.47Å; A334-A338 PolarHBondContact O-N 2.95Å; R335-A338 PolarHBondContact O-N 3.07Å; L336-A338 VanDerWaalsContact C-N 3.29Å; L336-A338 PolarHBondContact O-N 3.13Å; A338-L341 PolarHBondContact O-N 3.33Å; A338-V342 PolarHBondContact O-N 2.98Å
339G92Very high88.4Confident10 Ų1043.3 Ų43.310%0.10322%0.224CC..Hα-helixtrans-61.6-44.9171.900000112.3R335 L336 F337 L341 V342 L343R335-G339 PolarHBondContact O-N 3.36Å; L336-G339 WeakPolarHBondContact O-CA 3.29Å; L336-G339 PolarHBondContact O-N 3.16Å; L336-G339 VanDerWaalsContact O-N 3.09Å; F337-G339 VanDerWaalsContact C-N 3.33Å; F337-G339 PolarHBondContact O-N 2.65Å; G339-L341 VanDerWaalsContact C-N 3.31Å; G339-L341 PolarHBondContact O-N 3.34Å; G339-V342 PolarHBondContact O-N 3.36Å; G339-V342 VanDerWaalsContact O-N 3.16Å; G339-L343 PolarHBondContact O-N 3.31Å; G339-L343 VanDerWaalsContact O-N 3.12Å
340V94.2Very high90.1Very high23 Ų2338.6 Ų38.614%0.13920%0.2CC..Hα-helixtrans-61.1-39.1176.6174.30000111.6A37 F38 L336 F337 V342 L343 Y344A37-V340 HydrophobicContact CB-CG1 4.42Å; A37-V340 HydrophobicContact CB-CG2 3.65Å; F38-V340 HydrophobicContact CE1-CG2 4.45Å; F38-V340 HydrophobicContact CZ-CG2 4.42Å; L336-V340 WeakPolarHBondContact O-CG2 3.49Å; L336-V340 PolarHBondContact O-N 3.14Å; F337-V340 PolarHBondContact O-N 3.05Å; V340-V342 VanDerWaalsContact C-N 3.31Å; V340-V342 PolarHBondContact O-N 3.11Å; V340-L343 PolarHBondContact O-N 2.88Å; V340-L343 VanDerWaalsContact O-N 3.14Å; V340-Y344 HydrophobicContact CG1-CD2 3.71Å; V340-Y344 HydrophobicContact CG1-CE2 3.79Å; V340-Y344 WeakPolarHBondContact O-CD2 3.43Å; V340-Y344 PolarHBondContact O-N 2.98Å
341L96.1Very high91.1Very high35 Ų3537.9 Ų37.918%0.18320%0.195CC..Hα-helixtrans-60.5-38.4175.8-70.1178.9000113C301 P304 F337 A338 G339 Y344 Y345C301-L341 PolarHBondContact SG-O 2.84Å; C301-L341 VanDerWaalsContact SG-O 3.41Å; P304-L341 HydrophobicContact CG-CD1 4.38Å; F337-L341 HydrophobicContact CD1-CD1 4.15Å; F337-L341 HydrophobicContact CD1-CG 4.48Å; F337-L341 HydrophobicContact CE1-CD1 3.63Å; F337-L341 HydrophobicContact CE1-CD2 4.47Å; F337-L341 HydrophobicContact CE1-CG 4.09Å; F337-L341 HydrophobicContact CZ-CD1 4.18Å; F337-L341 HydrophobicContact CZ-CD2 4.19Å; F337-L341 HydrophobicContact CZ-CG 4.26Å; F337-L341 PolarHBondContact O-N 2.94Å; F337-L341 VanDerWaalsContact O-N 3.09Å; A338-L341 PolarHBondContact O-N 3.33Å; G339-L341 VanDerWaalsContact C-N 3.31Å; G339-L341 PolarHBondContact O-N 3.34Å; L341-Y344 PolarHBondContact O-N 2.91Å; L341-Y345 PolarHBondContact O-N 3.46Å
342V95.8Very high91.8Very high12 Ų1238.4 Ų38.47%0.07320%0.198CC..Hα-helixtrans-66.7-40.3174.5176.60000110.7C301 W302 K305 A338 G339 V340 Y344 Y345C301-V342 WeakPolarHBondContact O-CG2 3.49Å; W302-V342 HydrophobicContact CH2-CG1 4.45Å; W302-V342 HydrophobicContact CZ2-CG1 4.18Å; K305-V342 HydrophobicContact CB-CG2 4.06Å; K305-V342 HydrophobicContact CD-CB 4.41Å; K305-V342 HydrophobicContact CD-CG2 3.75Å; A338-V342 PolarHBondContact O-N 2.98Å; G339-V342 PolarHBondContact O-N 3.36Å; G339-V342 VanDerWaalsContact O-N 3.16Å; V340-V342 VanDerWaalsContact C-N 3.31Å; V340-V342 PolarHBondContact O-N 3.11Å; V342-Y344 VanDerWaalsContact C-N 3.3Å; V342-Y344 PolarHBondContact O-N 3.37Å; V342-Y345 WeakPolarHBondContact O-CB 3.09Å; V342-Y345 PolarHBondContact O-N 3.02Å; V342-Y345 VanDerWaalsContact O-N 3.1Å
343L95.9Very high92.4Very high11 Ų1135.4 Ų35.46%0.05818%0.181CC..Hα-helixtrans-64.7-33.5177.9-67.8176.9000112.9F38 P41 N88 G339 V340 Y345 P346F38-L343 HydrophobicContact CD1-CD1 3.45Å; F38-L343 VanDerWaalsContact CD1-CD1 3.45Å; F38-L343 HydrophobicContact CE1-CD1 3.95Å; F38-L343 HydrophobicContact CG-CD1 4.47Å; P41-L343 HydrophobicContact CB-CB 3.96Å; P41-L343 VanDerWaalsContact CB-O 3.29Å; P41-L343 WeakPolarHBondContact CB-O 3.37Å; P41-L343 HydrophobicContact CG-CB 4.2Å; N88-L343 HydrophobicContact CB-CD1 4.09Å; N88-L343 HydrophobicContact CB-CD2 4.21Å; G339-L343 PolarHBondContact O-N 3.31Å; G339-L343 VanDerWaalsContact O-N 3.12Å; V340-L343 PolarHBondContact O-N 2.88Å; V340-L343 VanDerWaalsContact O-N 3.14Å; L343-Y345 VanDerWaalsContact C-N 3.28Å; L343-Y345 PolarHBondContact O-N 3.2Å; L343-P346 WeakPolarHBondContact O-CD 3.06Å
344Y97.3Very high92.6Very high61 Ų6133.1 Ų33.124%0.23917%0.165CC..Hα-helixtrans-76.8-12.3174.7-89.8-75.9000114.1F36 P41 V340 L341 V342 T347 I348F36-Y344 PolarHBondContact O-OH 3.06Å; P41-Y344 HydrophobicContact CB-CD1 4.17Å; P41-Y344 HydrophobicContact CB-CD2 4.24Å; P41-Y344 HydrophobicContact CB-CE1 4.32Å; P41-Y344 HydrophobicContact CB-CE2 4.42Å; P41-Y344 HydrophobicContact CB-CG 4.14Å; P41-Y344 HydrophobicContact CG-CD1 4.25Å; P41-Y344 HydrophobicContact CG-CD2 3.72Å; P41-Y344 HydrophobicContact CG-CE1 4.05Å; P41-Y344 HydrophobicContact CG-CE2 3.53Å; P41-Y344 HydrophobicContact CG-CG 4.1Å; V340-Y344 HydrophobicContact CG1-CD2 3.71Å; V340-Y344 HydrophobicContact CG1-CE2 3.79Å; V340-Y344 WeakPolarHBondContact O-CD2 3.43Å; V340-Y344 PolarHBondContact O-N 2.98Å; L341-Y344 PolarHBondContact O-N 2.91Å; V342-Y344 VanDerWaalsContact C-N 3.3Å; V342-Y344 PolarHBondContact O-N 3.37Å; Y344-T347 WeakPolarHBondContact O-CB 3.39Å; Y344-T347 PolarHBondContact O-N 2.67Å; Y344-T347 VanDerWaalsContact O-N 3.16Å; Y344-I348 WeakPolarHBondContact O-CG1 3.28Å; Y344-I348 PolarHBondContact O-N 2.88Å
345Y97.5Very high92.5Very high3 Ų337.2 Ų37.21%0.01219%0.189CC..Hα-helixtrans-55.6-49.5-176-177.9-95.2000114L80 M121 Q125 V297 F298 C301 W302 L341 V342 L343 T347 I348 S349L80-Y345 HydrophobicContact CD2-CD1 4.42Å; M121-Y345 HydrophobicContact CE-CD1 4.31Å; M121-Y345 HydrophobicContact CE-CE1 3.89Å; M121-Y345 HydrophobicContact CG-CE1 4.44Å; M121-Y345 HydrophobicContact SD-CD1 3.39Å; M121-Y345 WeakPolarHBondContact SD-CD1 3.35Å; M121-Y345 HydrophobicContact SD-CE1 3.21Å; M121-Y345 WeakPolarHBondContact SD-CE1 3.39Å; Q125-Y345 PolarHBondContact NE2-OH 2.78Å; Q125-Y345 PolarHBondContact OE1-OH 3.18Å; V297-Y345 HydrophobicContact CG1-CD2 3.87Å; V297-Y345 HydrophobicContact CG1-CE2 3.75Å; F298-Y345 HydrophobicContact CB-CE2 4.33Å; F298-Y345 HydrophobicContact CD2-CE2 4.34Å; C301-Y345 HydrophobicContact CB-CD2 3.58Å; C301-Y345 HydrophobicContact CB-CE2 4.48Å; C301-Y345 HydrophobicContact CB-CG 4.3Å; W302-Y345 AromaticContact CD1-CD2 3.87Å; W302-Y345 AromaticContact NE1-CD1 3.69Å; W302-Y345 AromaticContact NE1-CD2 3.62Å; W302-Y345 AromaticContact NE1-CE2 3.91Å; W302-Y345 AromaticContact NE1-CG 3.48Å; L341-Y345 PolarHBondContact O-N 3.46Å; V342-Y345 WeakPolarHBondContact O-CB 3.09Å; V342-Y345 PolarHBondContact O-N 3.02Å; V342-Y345 VanDerWaalsContact O-N 3.1Å; L343-Y345 VanDerWaalsContact C-N 3.28Å; L343-Y345 PolarHBondContact O-N 3.2Å; Y345-T347 VanDerWaalsContact C-N 3.25Å; Y345-T347 PolarHBondContact O-N 3.03Å; Y345-I348 PolarHBondContact O-N 3.13Å; Y345-S349 VanDerWaalsContact O-CB 3.27Å; Y345-S349 WeakPolarHBondContact O-CB 3.44Å; Y345-S349 PolarHBondContact O-N 2.63Å
346P97.3Very high92Very high1 Ų134.9 Ų34.91%0.00618%0.183CC..Hα-helixtrans-57.5-37.7177.6-26.737.3000113.4N49 D77 L80 A81 L343 A350N49-P346 PolarHBondContact ND2-O 3.23Å; D77-P346 HydrophobicContact CB-CB 4.13Å; L80-P346 HydrophobicContact CB-CG 4.28Å; L80-P346 HydrophobicContact CD2-CG 3.96Å; L80-P346 HydrophobicContact CG-CG 4.3Å; A81-P346 HydrophobicContact CB-CB 3.97Å; A81-P346 HydrophobicContact CB-CG 3.98Å; L343-P346 WeakPolarHBondContact O-CD 3.06Å; P346-A350 VanDerWaalsContact O-CB 3.26Å; P346-A350 WeakPolarHBondContact O-CB 3.31Å; P346-A350 PolarHBondContact O-N 2.95Å
347T97.2Very high91.3Very high11 Ų1133.6 Ų33.67%0.06718%0.179CC..Hα-helixtrans-67.8-49.2178.2-59.40000110.8P41 T44 G45 L48 Y344 Y345 A350 L351P41-T347 PolarHBondContact O-OG1 3.21Å; T44-T347 WeakPolarHBondContact OG1-CG2 3.26Å; T44-T347 PolarHBondContact OG1-OG1 2.96Å; G45-T347 VanDerWaalsContact CA-OG1 3.32Å; G45-T347 WeakPolarHBondContact CA-OG1 3.16Å; G45-T347 PolarHBondContact N-OG1 3.48Å; L48-T347 HydrophobicContact CD1-CG2 3.87Å; Y344-T347 WeakPolarHBondContact O-CB 3.39Å; Y344-T347 PolarHBondContact O-N 2.67Å; Y344-T347 VanDerWaalsContact O-N 3.16Å; Y345-T347 VanDerWaalsContact C-N 3.25Å; Y345-T347 PolarHBondContact O-N 3.03Å; T347-A350 PolarHBondContact O-N 2.03Å; T347-L351 HydrophobicContact CG2-CD1 4.16Å; T347-L351 WeakPolarHBondContact O-CB 2.91Å; T347-L351 VanDerWaalsContact O-CG 3.31Å; T347-L351 WeakPolarHBondContact O-CG 3Å; T347-L351 PolarHBondContact O-N 2.88Å
348I96.4Very high90Very high60 Ų6029.2 Ų29.231%0.30816%0.163SC..Hα-helixtrans-64.5-43.7-179.2-61.5166.2000110.5V297 Y344 Y345 L351 L352V297-I348 HydrophobicContact CB-CG2 4.4Å; V297-I348 HydrophobicContact CG1-CB 4.16Å; V297-I348 HydrophobicContact CG1-CG2 3.56Å; V297-I348 HydrophobicContact CG2-CG2 3.82Å; Y344-I348 WeakPolarHBondContact O-CG1 3.28Å; Y344-I348 PolarHBondContact O-N 2.88Å; Y345-I348 PolarHBondContact O-N 3.13Å; I348-L351 PolarHBondContact O-N 3.37Å; I348-L352 WeakPolarHBondContact O-CB 3.34Å; I348-L352 PolarHBondContact O-N 2.92Å
349S94.2Very high88.5Confident20 Ų2037 Ų3714%0.1420%0.197CC..Hα-helixtrans-55.9-51.1175.1175.80000111.5D77 Y345 L351 L352 F353D77-S349 WeakPolarHBondContact OD2-CB 3.31Å; D77-S349 PolarHBondContact OD2-OG 2.93Å; Y345-S349 VanDerWaalsContact O-CB 3.27Å; Y345-S349 WeakPolarHBondContact O-CB 3.44Å; Y345-S349 PolarHBondContact O-N 2.63Å; S349-L351 PolarHBondContact O-N 3.45Å; S349-L352 PolarHBondContact O-N 3.35Å; S349-F353 PolarHBondContact O-N 2.93Å
350A94.1Very high86.8Confident1 Ų136.7 Ų36.71%0.00819%0.193CC..Hα-helixtrans-63.2-42.9179.600000112.8L48 I52 P346 T347 F353 L354L48-A350 HydrophobicContact CB-CB 3.69Å; L48-A350 HydrophobicContact CD1-CB 4.23Å; I52-A350 HydrophobicContact CD1-CB 3.59Å; P346-A350 VanDerWaalsContact O-CB 3.26Å; P346-A350 WeakPolarHBondContact O-CB 3.31Å; P346-A350 PolarHBondContact O-N 2.95Å; T347-A350 PolarHBondContact O-N 2.03Å; A350-F353 PolarHBondContact O-N 3.4Å; A350-L354 WeakPolarHBondContact O-CG 2.93Å; A350-L354 PolarHBondContact O-N 3.23Å
351L93.6Very high85.3Confident85 Ų8541.3 Ų41.345%0.44521%0.208SC..Hα-helixtrans-62.6-44.4175.7-71.9175.3000111.6L48 T347 I348 S349 F353 L354 V355L48-L351 HydrophobicContact CD1-CD2 3.8Å; L48-L351 HydrophobicContact CD1-CG 3.77Å; L48-L351 HydrophobicContact CD2-CD2 4.3Å; T347-L351 HydrophobicContact CG2-CD1 4.16Å; T347-L351 WeakPolarHBondContact O-CB 2.91Å; T347-L351 VanDerWaalsContact O-CG 3.31Å; T347-L351 WeakPolarHBondContact O-CG 3Å; T347-L351 PolarHBondContact O-N 2.88Å; I348-L351 PolarHBondContact O-N 3.37Å; S349-L351 PolarHBondContact O-N 3.45Å; L351-F353 VanDerWaalsContact C-N 3.28Å; L351-F353 PolarHBondContact O-N 3.49Å; L351-L354 PolarHBondContact O-N 3.15Å; L351-V355 WeakPolarHBondContact O-CB 3.31Å; L351-V355 VanDerWaalsContact O-CG2 3.3Å; L351-V355 WeakPolarHBondContact O-CG2 3.02Å; L351-V355 PolarHBondContact O-N 3.16Å
352L91.6Very high83.9Confident33 Ų3345.9 Ų45.917%0.17323%0.229CC..Hα-helixtrans-58.8-43.7176.6-177.563.9000110.5M293 V294 I348 S349 V355 T356M293-L352 HydrophobicContact CB-CD1 3.81Å; M293-L352 HydrophobicContact CB-CD2 3.82Å; M293-L352 HydrophobicContact CB-CG 4.49Å; M293-L352 HydrophobicContact CG-CD1 4.44Å; V294-L352 HydrophobicContact CB-CD2 4.42Å; V294-L352 HydrophobicContact CG2-CD2 3.6Å; I348-L352 WeakPolarHBondContact O-CB 3.34Å; I348-L352 PolarHBondContact O-N 2.92Å; S349-L352 PolarHBondContact O-N 3.35Å; L352-V355 PolarHBondContact O-N 3.19Å; L352-T356 HydrophobicContact CD1-CG2 3.88Å; L352-T356 HydrophobicContact CG-CG2 4.4Å; L352-T356 VanDerWaalsContact O-CB 3.32Å; L352-T356 WeakPolarHBondContact O-CB 3.29Å; L352-T356 VanDerWaalsContact O-CG2 3.25Å; L352-T356 WeakPolarHBondContact O-CG2 3.27Å; L352-T356 PolarHBondContact O-N 3.16Å; L352-T356 PolarHBondContact O-OG1 3.17Å
353F86.2Confident82.3Confident35 Ų3548.2 Ų48.215%0.15424%0.238CC..Hα-helixtrans-60.6-49176.3180-103.8000112.3I52 L70 M290 S349 A350 L351 V355 T356 A357 V360I52-F353 HydrophobicContact CD1-CD1 3.89Å; I52-F353 HydrophobicContact CG1-CD1 4.14Å; I52-F353 HydrophobicContact CG2-CD1 4.12Å; I52-F353 HydrophobicContact CG2-CE1 4.02Å; L70-F353 HydrophobicContact CD1-CD1 4.35Å; L70-F353 HydrophobicContact CD1-CD2 3.75Å; L70-F353 HydrophobicContact CD1-CE1 3.88Å; L70-F353 HydrophobicContact CD1-CE2 3.22Å; L70-F353 HydrophobicContact CD1-CG 4.3Å; L70-F353 HydrophobicContact CD1-CZ 3.32Å; L70-F353 HydrophobicContact CD2-CE1 4.11Å; L70-F353 HydrophobicContact CD2-CE2 3.95Å; L70-F353 HydrophobicContact CD2-CZ 3.35Å; L70-F353 HydrophobicContact CG-CE2 4.21Å; L70-F353 HydrophobicContact CG-CZ 3.92Å; M290-F353 HydrophobicContact CE-CD2 4.46Å; S349-F353 PolarHBondContact O-N 2.93Å; A350-F353 PolarHBondContact O-N 3.4Å; L351-F353 VanDerWaalsContact C-N 3.28Å; L351-F353 PolarHBondContact O-N 3.49Å; F353-V355 VanDerWaalsContact C-N 3.32Å; F353-V355 PolarHBondContact O-N 3.17Å; F353-T356 PolarHBondContact O-N 3.25Å; F353-T356 PolarHBondContact O-OG1 2.91Å; F353-A357 HydrophobicContact CE1-CB 4.49Å; F353-A357 HydrophobicContact CE2-CB 4.08Å; F353-A357 HydrophobicContact CZ-CB 4.03Å; F353-A357 VanDerWaalsContact O-CB 3.26Å; F353-A357 WeakPolarHBondContact O-CB 3.06Å; F353-A357 PolarHBondContact O-N 2.95Å; F353-V360 HydrophobicContact CE1-CB 4.41Å; F353-V360 HydrophobicContact CE1-CG1 4.02Å; F353-V360 HydrophobicContact CE1-CG2 3.89Å; F353-V360 HydrophobicContact CZ-CG2 3.76Å
354L85.6Confident80.7Confident27 Ų2748.4 Ų48.414%0.14124%0.24CC..Hα-helixtrans-62.7-36.6179.9-70.8171.7000113L48 I52 A350 L351 V360L48-L354 HydrophobicContact CD2-CD1 4.07Å; I52-L354 HydrophobicContact CD1-CG 4.32Å; I52-L354 HydrophobicContact CG1-CD2 4.1Å; I52-L354 HydrophobicContact CG1-CG 4.3Å; A350-L354 WeakPolarHBondContact O-CG 2.93Å; A350-L354 PolarHBondContact O-N 3.23Å; L351-L354 PolarHBondContact O-N 3.15Å; L354-V360 HydrophobicContact CD2-CG1 3.98Å
355V82.5Confident79.2Confident101 Ų10151.7 Ų51.761%0.61226%0.256SS*.Hα-helixtrans-71.9-40.1178.1170.30000111.5L351 L352 F353L351-V355 WeakPolarHBondContact O-CB 3.31Å; L351-V355 VanDerWaalsContact O-CG2 3.3Å; L351-V355 WeakPolarHBondContact O-CG2 3.02Å; L351-V355 PolarHBondContact O-N 3.16Å; L352-V355 PolarHBondContact O-N 3.19Å; F353-V355 VanDerWaalsContact C-N 3.32Å; F353-V355 PolarHBondContact O-N 3.17Å
356T74.2Confident77.8Confident24 Ų2457.8 Ų57.815%0.14728%0.282CS..Hα-helixtrans-87.2-18.1-17256.90000113.7M290 L352 F353 P358M290-T356 HydrophobicContact CB-CG2 3.75Å; M290-T356 HydrophobicContact CG-CG2 3.79Å; M290-T356 HydrophobicContact SD-CG2 4.43Å; M290-T356 PolarHBondContact SD-OG1 3.47Å; L352-T356 HydrophobicContact CD1-CG2 3.88Å; L352-T356 HydrophobicContact CG-CG2 4.4Å; L352-T356 VanDerWaalsContact O-CB 3.32Å; L352-T356 WeakPolarHBondContact O-CB 3.29Å; L352-T356 VanDerWaalsContact O-CG2 3.25Å; L352-T356 WeakPolarHBondContact O-CG2 3.27Å; L352-T356 PolarHBondContact O-N 3.16Å; L352-T356 PolarHBondContact O-OG1 3.17Å; F353-T356 PolarHBondContact O-N 3.25Å; F353-T356 PolarHBondContact O-OG1 2.91Å; T356-P358 WeakPolarHBondContact O-CD 3.5Å
357A71.7Confident76.2Confident19 Ų1960.8 Ų60.816%0.15730%0.298CS..  trans-101.783.5177.300000112.4F353 K359 V360 R361F353-A357 HydrophobicContact CE1-CB 4.49Å; F353-A357 HydrophobicContact CE2-CB 4.08Å; F353-A357 HydrophobicContact CZ-CB 4.03Å; F353-A357 VanDerWaalsContact O-CB 3.26Å; F353-A357 WeakPolarHBondContact O-CB 3.06Å; F353-A357 PolarHBondContact O-N 2.95Å; A357-K359 VanDerWaalsContact C-N 3.28Å; A357-K359 PolarHBondContact O-N 3.11Å; A357-V360 HydrophobicContact CB-CB 3.84Å; A357-V360 HydrophobicContact CB-CG2 3.56Å; A357-V360 WeakPolarHBondContact O-CB 3.04Å; A357-V360 PolarHBondContact O-N 2.9Å; A357-R361 PolarHBondContact O-N 3.36Å; A357-R361 VanDerWaalsContact O-N 3.1Å
358P64.1Low74.7Confident41 Ų4164.5 Ų64.527%0.26632%0.317SS..Hα-helixtrans-59.1-35.2-17524.5-36.4000113.6T356 V360 R361 E362T356-P358 WeakPolarHBondContact O-CD 3.5Å; P358-V360 VanDerWaalsContact C-N 3.31Å; P358-V360 PolarHBondContact O-N 3.28Å; P358-R361 WeakPolarHBondContact O-CB 3.48Å; P358-R361 PolarHBondContact O-N 3.45Å; P358-E362 PolarHBondContact O-N 3.27Å
359K60.8Low73.3Confident163 Ų16366.8 Ų66.871%0.70933%0.329SS*.Hα-helixtrans-66.6-31.1176.1-69.2-174.2178-179.60112.9A357 K363A357-K359 VanDerWaalsContact C-N 3.28Å; A357-K359 PolarHBondContact O-N 3.11Å; K359-K363 WeakPolarHBondContact O-CG 3.46Å; K359-K363 PolarHBondContact O-N 3.02Å
360V57.6Low71.8Confident4 Ų471.8 Ų71.82%0.02435%0.345CS..Hα-helixtrans-70.1-46.6173.5176.80000108.7I55 F62 F353 L354 A357 P358 E362 K363 C364I55-V360 HydrophobicContact CD1-CG1 4.31Å; I55-V360 HydrophobicContact CG2-CG1 4.18Å; F62-V360 HydrophobicContact CE1-CG2 3.86Å; F62-V360 HydrophobicContact CE2-CG2 4.37Å; F62-V360 HydrophobicContact CZ-CB 4.38Å; F62-V360 HydrophobicContact CZ-CG2 3.45Å; F62-V360 VanDerWaalsContact CZ-CG2 3.45Å; F353-V360 HydrophobicContact CE1-CB 4.41Å; F353-V360 HydrophobicContact CE1-CG1 4.02Å; F353-V360 HydrophobicContact CE1-CG2 3.89Å; F353-V360 HydrophobicContact CZ-CG2 3.76Å; L354-V360 HydrophobicContact CD2-CG1 3.98Å; A357-V360 HydrophobicContact CB-CB 3.84Å; A357-V360 HydrophobicContact CB-CG2 3.56Å; A357-V360 WeakPolarHBondContact O-CB 3.04Å; A357-V360 PolarHBondContact O-N 2.9Å; P358-V360 VanDerWaalsContact C-N 3.31Å; P358-V360 PolarHBondContact O-N 3.28Å; V360-E362 PolarHBondContact O-N 2.97Å; V360-K363 CarbonylContact O-C 3.19Å; V360-K363 PolarHBondContact O-N 2.04Å; V360-K363 VanDerWaalsContact O-N 3.08Å; V360-C364 PolarHBondContact O-N 2.94Å; V360-C364 PolarHBondContact O-SG 3.32Å
361R62Low70.4Confident120 Ų12075 Ų7545%0.45337%0.367SS..Hα-helixtrans-59.3-42.7179.1-171.7-179.367.4-168.12.9113.4A357 P358 K363 C364 K365A357-R361 PolarHBondContact O-N 3.36Å; A357-R361 VanDerWaalsContact O-N 3.1Å; P358-R361 WeakPolarHBondContact O-CB 3.48Å; P358-R361 PolarHBondContact O-N 3.45Å; R361-K363 VanDerWaalsContact C-N 3.28Å; R361-K363 PolarHBondContact O-N 3.37Å; R361-C364 WeakPolarHBondContact O-CB 3.43Å; R361-C364 PolarHBondContact O-N 2.85Å; R361-K365 WeakPolarHBondContact O-CG 3.36Å; R361-K365 PolarHBondContact O-N 3.11Å
362E65.6Low68.8Low131 Ų13177.5 Ų77.561%0.61237%0.374SS*.Hα-helixtrans-61.6-38.6175.8-77.6178.6178.700111.9P358 V360 K365 F366P358-E362 PolarHBondContact O-N 3.27Å; V360-E362 PolarHBondContact O-N 2.97Å; E362-K365 PolarHBondContact O-N 2.87Å; E362-F366 PolarHBondContact O-N 3.16Å
363K64Low67.3Low61 Ų6184 Ų8427%0.26540%0.404SS..Hα-helixtrans-74.2-34.1176.6-73.8176.4170.9-149.30113.5C59 F62 K359 V360 R361 K365 F366 L367C59-K363 HydrophobicContact CB-CD 4.36Å; F62-K363 HydrophobicContact CD2-CD 4.5Å; F62-K363 HydrophobicContact CE2-CD 3.69Å; F62-K363 HydrophobicContact CZ-CD 4.44Å; K359-K363 WeakPolarHBondContact O-CG 3.46Å; K359-K363 PolarHBondContact O-N 3.02Å; V360-K363 CarbonylContact O-C 3.19Å; V360-K363 PolarHBondContact O-N 2.04Å; V360-K363 VanDerWaalsContact O-N 3.08Å; R361-K363 VanDerWaalsContact C-N 3.28Å; R361-K363 PolarHBondContact O-N 3.37Å; K363-K365 VanDerWaalsContact C-N 3.31Å; K363-K365 PolarHBondContact O-N 2.99Å; K363-F366 PolarHBondContact O-N 3.02Å; K363-L367 WeakPolarHBondContact O-CG 3.38Å; K363-L367 PolarHBondContact O-N 2.86Å
364C62.4Low65.8Low15 Ų1590.9 Ų90.910%0.10143%0.429CS..Hα-helixtrans-54.4-50.6167.7-70.50000110.3I55 V360 R361 F366 L367 I368I55-C364 WeakPolarHBondContact CD1-SG 3.29Å; V360-C364 PolarHBondContact O-N 2.94Å; V360-C364 PolarHBondContact O-SG 3.32Å; R361-C364 WeakPolarHBondContact O-CB 3.43Å; R361-C364 PolarHBondContact O-N 2.85Å; C364-F366 VanDerWaalsContact C-N 3.29Å; C364-F366 PolarHBondContact O-N 3.03Å; C364-L367 PolarHBondContact O-N 3.41Å; C364-I368 WeakPolarHBondContact O-CB 3.15Å; C364-I368 VanDerWaalsContact O-CG1 3.25Å; C364-I368 WeakPolarHBondContact O-CG1 3.43Å; C364-I368 PolarHBondContact O-N 2.95Å
365K65.9Low64.1Low130 Ų13098.9 Ų98.957%0.56546%0.457SS*.Hα-helixtrans-57.6-45178.4-71.6-176.7177.7-170.20110.8R361 E362 K363 I368 L369R361-K365 WeakPolarHBondContact O-CG 3.36Å; R361-K365 PolarHBondContact O-N 3.11Å; E362-K365 PolarHBondContact O-N 2.87Å; K363-K365 VanDerWaalsContact C-N 3.31Å; K363-K365 PolarHBondContact O-N 2.99Å; K365-I368 PolarHBondContact O-N 2.74Å; K365-L369 WeakPolarHBondContact O-CB 3.49Å; K365-L369 WeakPolarHBondContact O-CD1 3.36Å; K365-L369 WeakPolarHBondContact O-CG 3.11Å; K365-L369 PolarHBondContact O-N 3.14Å
366F67Low62.3Low131 Ų13199.7 Ų99.758%0.57546%0.464SS*.Hα-helixtrans-62-44.6178.1-172.4-97000113.2E362 K363 C364 L369 R370E362-F366 PolarHBondContact O-N 3.16Å; K363-F366 PolarHBondContact O-N 3.02Å; C364-F366 VanDerWaalsContact C-N 3.29Å; C364-F366 PolarHBondContact O-N 3.03Å; F366-L369 PolarHBondContact O-N 2.92Å; F366-R370 WeakPolarHBondContact O-CB 3.15Å; F366-R370 PolarHBondContact O-N 2.8Å
367L63.6Low61Low64 Ų64105.2 Ų105.234%0.33549%0.492SS..Hα-helixtrans-64.7-41.2178.1-73.4170.2000112.2I55 K363 C364 R370 S371I55-L367 HydrophobicContact CG1-CD1 3.96Å; K363-L367 WeakPolarHBondContact O-CG 3.38Å; K363-L367 PolarHBondContact O-N 2.86Å; C364-L367 PolarHBondContact O-N 3.41Å; L367-R370 PolarHBondContact O-N 2.71Å; L367-S371 PolarHBondContact O-N 3.3Å
368I65.7Low60Low89 Ų89110.4 Ų110.446%0.45652%0.524SS..Hα-helixtrans-65.7-40.1176.5-66.3166.6000111C364 K365 S371 K372C364-I368 WeakPolarHBondContact O-CB 3.15Å; C364-I368 VanDerWaalsContact O-CG1 3.25Å; C364-I368 WeakPolarHBondContact O-CG1 3.43Å; C364-I368 PolarHBondContact O-N 2.95Å; K365-I368 PolarHBondContact O-N 2.74Å; I368-S371 PolarHBondContact O-N 2.86Å; I368-S371 PolarHBondContact O-OG 3.08Å; I368-K372 PolarHBondContact O-N 2.9Å
369L66.5Low59.3Low108 Ų108120.9 Ų120.957%0.56557%0.566SS**Hα-helixtrans-67.7-39.4176.6-71.4167.9000111.6K365 F366 K372 Q373K365-L369 WeakPolarHBondContact O-CB 3.49Å; K365-L369 WeakPolarHBondContact O-CD1 3.36Å; K365-L369 WeakPolarHBondContact O-CG 3.11Å; K365-L369 PolarHBondContact O-N 3.14Å; F366-L369 PolarHBondContact O-N 2.92Å; L369-K372 PolarHBondContact O-N 2.92Å; L369-Q373 PolarHBondContact O-N 3.46Å
370R64Low59.2Low126 Ų126118.8 Ų118.848%0.47556%0.559SS.*Hα-helixtrans-68-34.4177.4-164177.8-172.1-173.32.3112.6F366 L367 K372 Q373 R374F366-R370 WeakPolarHBondContact O-CB 3.15Å; F366-R370 PolarHBondContact O-N 2.8Å; L367-R370 PolarHBondContact O-N 2.71Å; R370-K372 VanDerWaalsContact C-N 3.33Å; R370-Q373 PolarHBondContact O-N 3.4Å; R370-R374 PolarHBondContact O-N 2.76Å
371S63.1Low59.3Low67 Ų67124.8 Ų124.847%0.46959%0.587SS.*Hα-helixtrans-70.2-30.7174.374.10000112.3L367 I368L367-S371 PolarHBondContact O-N 3.3Å; I368-S371 PolarHBondContact O-N 2.86Å; I368-S371 PolarHBondContact O-OG 3.08Å
372K60.5Low59.2Low138 Ų138125.1 Ų125.160%0.660%0.595SS**Hα-helixtrans-68-39.6170.5-76.4-172.6175.9-170.40112.7I368 L369 R370 R374 R375I368-K372 PolarHBondContact O-N 2.9Å; L369-K372 PolarHBondContact O-N 2.92Å; R370-K372 VanDerWaalsContact C-N 3.33Å; K372-R374 VanDerWaalsContact C-N 3.28Å; K372-R374 PolarHBondContact O-N 3.29Å; K372-R375 PolarHBondContact O-N 2.75Å
373Q60.3Low58.8Low170 Ų170124.8 Ų124.879%0.79459%0.594SS**Hα-helixtrans-69.4-20.5176.7-95.2179.6-18.200114.4L369 R370L369-Q373 PolarHBondContact O-N 3.46Å; R370-Q373 PolarHBondContact O-N 3.4Å
374R56Low58.5Low179 Ų179128.8 Ų128.868%0.67561%0.614SS**THydrogen-bonded Turntrans-90.2-0.9177.4-75.5-169.3-173.5-171.80.9114.5R370 K372 P376R370-R374 PolarHBondContact O-N 2.76Å; K372-R374 VanDerWaalsContact C-N 3.28Å; K372-R374 PolarHBondContact O-N 3.29Å; R374-P376 VanDerWaalsContact O-CD 3.29Å; R374-P376 WeakPolarHBondContact O-CD 3.45Å
375R48.3Very low58.2Low195 Ų195136.3 Ų136.374%0.73665%0.648SS**SBendtrans-74.5116.9170.6-68.4-167.2-159.9-162.64108.3K372 L377K372-R375 PolarHBondContact O-N 2.75Å; R375-L377 PolarHBondContact O-N 2.85Å
376P44.6Very low57.6Low119 Ų119136.8 Ų136.877%0.77365%0.654SS**PPolyproline II helixtrans-62.3137.8169.827.1-30.8000108.3R374R374-P376 VanDerWaalsContact O-CD 3.29Å; R374-P376 WeakPolarHBondContact O-CD 3.45Å
377L48.3Very low56.9Low140 Ų140137.2 Ų137.273%0.73366%0.66SS**PPolyproline II helixtrans-55.1135.7167.7-78.4152.1000108R375 F379R375-L377 PolarHBondContact O-N 2.85Å; L377-F379 PolarHBondContact O-N 3.45Å; L377-F379 VanDerWaalsContact O-N 3.12Å
378P50.6Low56.4Low127 Ų127143.3 Ų143.383%0.82569%0.688SS**PPolyproline II helixtrans-64.5117169.128.4-29.2000106.8
379F48.6Very low55.5Low262 Ų262148.3 Ų148.3100%1.14971%0.709SS**  trans-90.90167.2-91.2-81.6000109.3L377L377-F379 PolarHBondContact O-N 3.45Å; L377-F379 VanDerWaalsContact O-N 3.12Å

Retrieved 379 of 379 residues in 240.5 ms (Link to these results)