A0A096NS39_PAPAN Loading...

Centriolar coiled-coil protein 110

AlphaFold DB , UniProt , Accession A0A096NS39, Species PAPAN (Papio anubis, Olive baboon), Gene CCP110, Length 1,012 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
1M60.3Low82.1Confident242 Ų242121.1 Ų121.1100%1.19257%0.565SS**  0150.60-65.1-177-7500107.7
2E77.5Confident82.2Confident111 Ų111119.8 Ų119.852%0.51956%0.564SS.*  trans-72.6148.4169.1-64.4-176.3-173.500109.3K10E2-K10 IonicContact OE1-NZ 2.71Å; E2-K10 PolarHBondContact OE1-NZ 2.98Å; E2-K10 VanDerWaalsContact OE2-CD 3.31Å; E2-K10 WeakPolarHBondContact OE2-CD 3.47Å; E2-K10 IonicContact OE2-NZ 2.67Å; E2-K10 PolarHBondContact OE2-NZ 3.11Å
3E86.4Confident82.2Confident120 Ų120113.8 Ų113.856%0.56155%0.547SS*.  trans-64.1140.4176.6-68.9153.9139.500109.7E5 K6 F7E3-E5 PolarHBondContact O-N 2.98Å; E3-E5 VanDerWaalsContact O-N 3.14Å; E3-K6 PolarHBondContact O-N 3.06Å; E3-K6 VanDerWaalsContact O-N 3.11Å; E3-K6 WeakPolarHBondContact OE2-CD 3.41Å; E3-K6 WeakPolarHBondContact OE2-CE 3.35Å; E3-K6 IonicContact OE2-NZ 2.64Å; E3-K6 PolarHBondContact OE2-NZ 3.37Å; E3-F7 PolarHBondContact O-N 3.4Å
4Y81.9Confident82Confident189 Ų189116.8 Ų116.874%0.74155%0.55SS**Hα-helixtrans-57-36.1-171.7179.5-99.9000112.9F7 C8Y4-F7 PolarHBondContact O-N 3.06Å; Y4-C8 VanDerWaalsContact CE1-SG 3.57Å; Y4-C8 PolarHBondContact O-N 3.22Å; Y4-C8 PolarHBondContact O-SG 3.15Å
5E89.6Confident81.6Confident149 Ų149116.2 Ų116.270%0.69655%0.55SS**Hα-helixtrans-65.5-51.1177-163150.9-134.400111.5E3 F7 C8 E9E3-E5 PolarHBondContact O-N 2.98Å; E3-E5 VanDerWaalsContact O-N 3.14Å; E5-F7 VanDerWaalsContact C-N 3.28Å; E5-F7 PolarHBondContact O-N 3.2Å; E5-C8 CarbonylContact O-C 3.51Å; E5-C8 WeakPolarHBondContact O-CA 3.42Å; E5-C8 WeakPolarHBondContact O-CB 3.46Å; E5-C8 PolarHBondContact O-N 3.34Å; E5-E9 WeakPolarHBondContact O-CG 3.1Å; E5-E9 PolarHBondContact O-N 3.39Å
6K85.3Confident81Confident113 Ų113116.8 Ų116.849%0.49155%0.552SS.*Hα-helixtrans-58.9-36.6172.3-73.3176.9-175.1149.40112.7E3 K10E3-K6 PolarHBondContact O-N 3.06Å; E3-K6 VanDerWaalsContact O-N 3.11Å; E3-K6 WeakPolarHBondContact OE2-CD 3.41Å; E3-K6 WeakPolarHBondContact OE2-CE 3.35Å; E3-K6 IonicContact OE2-NZ 2.64Å; E3-K6 PolarHBondContact OE2-NZ 3.37Å; K6-K10 WeakPolarHBondContact O-CB 3.39Å; K6-K10 PolarHBondContact O-N 2.84Å
7F89.7Confident80Confident116 Ų116117.4 Ų117.451%0.50956%0.555SS.*Hα-helixtrans-64.4-40.7173.5174.4-95.2000111.8E3 Y4 E5 S11E3-F7 PolarHBondContact O-N 3.4Å; Y4-F7 PolarHBondContact O-N 3.06Å; E5-F7 VanDerWaalsContact C-N 3.28Å; E5-F7 PolarHBondContact O-N 3.2Å; F7-S11 VanDerWaalsContact O-CB 3.25Å; F7-S11 WeakPolarHBondContact O-CB 3.2Å; F7-S11 PolarHBondContact O-N 3.46Å; F7-S11 PolarHBondContact O-OG 2.87Å
8C79.7Confident78.5Confident42 Ų42114.1 Ų114.128%0.28455%0.551SS.*Hα-helixtrans-64.9-49.1174.7-68.20000111.5Y4 E5 K10 S11 L12Y4-C8 VanDerWaalsContact CE1-SG 3.57Å; Y4-C8 PolarHBondContact O-N 3.22Å; Y4-C8 PolarHBondContact O-SG 3.15Å; E5-C8 CarbonylContact O-C 3.51Å; E5-C8 WeakPolarHBondContact O-CA 3.42Å; E5-C8 WeakPolarHBondContact O-CB 3.46Å; E5-C8 PolarHBondContact O-N 3.34Å; C8-K10 PolarHBondContact O-N 2.84Å; C8-S11 WeakPolarHBondContact O-CB 3.5Å; C8-S11 PolarHBondContact O-N 3.27Å; C8-S11 VanDerWaalsContact O-N 3.16Å; C8-L12 WeakPolarHBondContact O-CB 3.35Å; C8-L12 WeakPolarHBondContact O-CG 3.38Å; C8-L12 PolarHBondContact O-N 2.81Å
9E88.8Confident77.2Confident116 Ų116111.8 Ų111.854%0.54255%0.548SS..Hα-helixtrans-56.8-50.6176.4-69175.1149.500111.6E5 S11 L12 A13E5-E9 WeakPolarHBondContact O-CG 3.1Å; E5-E9 PolarHBondContact O-N 3.39Å; E9-S11 PolarHBondContact O-N 2.95Å; E9-L12 PolarHBondContact O-N 3.37Å; E9-L12 VanDerWaalsContact O-N 3.17Å; E9-A13 WeakPolarHBondContact O-CB 3.32Å; E9-A13 PolarHBondContact O-N 3.42Å
10K86.3Confident75.8Confident96 Ų96111.7 Ų111.742%0.41755%0.549SS..Hα-helixtrans-69-16.3179.1-170.4174179.3177.30113.7E2 K6 C8 R14E2-K10 IonicContact OE1-NZ 2.71Å; E2-K10 PolarHBondContact OE1-NZ 2.98Å; E2-K10 VanDerWaalsContact OE2-CD 3.31Å; E2-K10 WeakPolarHBondContact OE2-CD 3.47Å; E2-K10 IonicContact OE2-NZ 2.67Å; E2-K10 PolarHBondContact OE2-NZ 3.11Å; K6-K10 WeakPolarHBondContact O-CB 3.39Å; K6-K10 PolarHBondContact O-N 2.84Å; C8-K10 PolarHBondContact O-N 2.84Å; K10-R14 WeakPolarHBondContact O-CB 3.26Å
11S78.1Confident74.2Confident38 Ų38110 Ų11027%0.26655%0.549SS..Hα-helixtrans-85.4-43169.3-620000111.3F7 C8 E9 R14 I15F7-S11 VanDerWaalsContact O-CB 3.25Å; F7-S11 WeakPolarHBondContact O-CB 3.2Å; F7-S11 PolarHBondContact O-N 3.46Å; F7-S11 PolarHBondContact O-OG 2.87Å; C8-S11 WeakPolarHBondContact O-CB 3.5Å; C8-S11 PolarHBondContact O-N 3.27Å; C8-S11 VanDerWaalsContact O-N 3.16Å; E9-S11 PolarHBondContact O-N 2.95Å; S11-R14 PolarHBondContact O-N 3.23Å; S11-I15 WeakPolarHBondContact O-CD1 3.31Å; S11-I15 VanDerWaalsContact O-CG1 3.27Å; S11-I15 WeakPolarHBondContact O-CG1 3.37Å; S11-I15 PolarHBondContact O-N 2.88Å
12L82.6Confident73.3Confident106 Ų106104.2 Ų104.256%0.55553%0.527SS*.Hα-helixtrans-65.1-45176.4-72169.1000111.8C8 E9 R14 I15 Q16C8-L12 WeakPolarHBondContact O-CB 3.35Å; C8-L12 WeakPolarHBondContact O-CG 3.38Å; C8-L12 PolarHBondContact O-N 2.81Å; E9-L12 PolarHBondContact O-N 3.37Å; E9-L12 VanDerWaalsContact O-N 3.17Å; L12-R14 VanDerWaalsContact C-N 3.34Å; L12-R14 PolarHBondContact O-N 3.31Å; L12-I15 PolarHBondContact O-N 3.48Å; L12-I15 VanDerWaalsContact O-N 3.16Å; L12-Q16 WeakPolarHBondContact O-CG 3.14Å; L12-Q16 PolarHBondContact O-N 3.43Å
13A82.3Confident71.3Confident41 Ų41105.1 Ų105.134%0.33953%0.531SS..Hα-helixtrans-56.8-47.3173.800000111E9 I15 Q16 E17E9-A13 WeakPolarHBondContact O-CB 3.32Å; E9-A13 PolarHBondContact O-N 3.42Å; A13-I15 VanDerWaalsContact C-N 3.29Å; A13-I15 PolarHBondContact O-N 2.87Å; A13-Q16 CarbonylContact O-C 3.59Å; A13-Q16 WeakPolarHBondContact O-CA 3.43Å; A13-Q16 WeakPolarHBondContact O-CB 3.46Å; A13-Q16 PolarHBondContact O-N 3.39Å; A13-E17 WeakPolarHBondContact O-CG 3.34Å; A13-E17 PolarHBondContact O-N 3.22Å
14R79.8Confident68.9Low156 Ų156103.2 Ų103.259%0.58953%0.531SS*.Hα-helixtrans-63.3-32.1177.8-163.6-171.8-51.3-117.53.8113.2K10 S11 L12 A18K10-R14 WeakPolarHBondContact O-CB 3.26Å; S11-R14 PolarHBondContact O-N 3.23Å; L12-R14 VanDerWaalsContact C-N 3.34Å; L12-R14 PolarHBondContact O-N 3.31Å; R14-A18 VanDerWaalsContact O-CB 3.31Å; R14-A18 WeakPolarHBondContact O-CB 3.37Å; R14-A18 PolarHBondContact O-N 3.23Å
15I76.1Confident66.7Low108 Ų108102.9 Ų102.955%0.55453%0.534SS*.Hα-helixtrans-72.8-37.5173.5-69162.9000110.9S11 L12 A13 S19S11-I15 WeakPolarHBondContact O-CD1 3.31Å; S11-I15 VanDerWaalsContact O-CG1 3.27Å; S11-I15 WeakPolarHBondContact O-CG1 3.37Å; S11-I15 PolarHBondContact O-N 2.88Å; L12-I15 PolarHBondContact O-N 3.48Å; L12-I15 VanDerWaalsContact O-N 3.16Å; A13-I15 VanDerWaalsContact C-N 3.29Å; A13-I15 PolarHBondContact O-N 2.87Å; I15-S19 PolarHBondContact O-N 2.97Å; I15-S19 PolarHBondContact O-OG 3.47Å
16Q71.1Confident64.2Low125 Ų125102.4 Ų102.458%0.58454%0.535SS*.Hα-helixtrans-69.3-41.6174.3-72.4175.9-23.700111.9L12 A13 A18 S19 L20L12-Q16 WeakPolarHBondContact O-CG 3.14Å; L12-Q16 PolarHBondContact O-N 3.43Å; A13-Q16 CarbonylContact O-C 3.59Å; A13-Q16 WeakPolarHBondContact O-CA 3.43Å; A13-Q16 WeakPolarHBondContact O-CB 3.46Å; A13-Q16 PolarHBondContact O-N 3.39Å; Q16-A18 PolarHBondContact O-N 3.48Å; Q16-S19 WeakPolarHBondContact O-CA 3.31Å; Q16-S19 VanDerWaalsContact O-CB 3.3Å; Q16-S19 WeakPolarHBondContact O-CB 3.5Å; Q16-S19 PolarHBondContact O-N 2.94Å; Q16-L20 WeakPolarHBondContact O-CG 3.39Å; Q16-L20 PolarHBondContact O-N 3.25Å
17E64Low61.9Low127 Ų127101.8 Ų101.859%0.59354%0.543SS*.Hα-helixtrans-61.7-41.8172.3-72.1176152.400111.8A13 S19 L20 S21A13-E17 WeakPolarHBondContact O-CG 3.34Å; A13-E17 PolarHBondContact O-N 3.22Å; E17-S19 PolarHBondContact O-N 3.22Å; E17-L20 PolarHBondContact O-N 3.31Å; E17-S21 VanDerWaalsContact O-CB 3.27Å; E17-S21 WeakPolarHBondContact O-CB 3.4Å; E17-S21 PolarHBondContact O-N 2.88Å; E17-S21 PolarHBondContact O-OG 2.78Å
18A54.1Low59.4Low58 Ų58100.9 Ų100.948%0.47956%0.557SS.*Hα-helixtrans-63.7-27.2172.700000113R14 Q16 S21 T22R14-A18 VanDerWaalsContact O-CB 3.31Å; R14-A18 WeakPolarHBondContact O-CB 3.37Å; R14-A18 PolarHBondContact O-N 3.23Å; Q16-A18 PolarHBondContact O-N 3.48Å; A18-S21 PolarHBondContact O-OG 2.82Å; A18-T22 PolarHBondContact O-OG1 3.1Å; A18-T22 VanDerWaalsContact O-OG1 3.1Å
19S52.5Low57.9Low71 Ų71107.7 Ų107.750%0.49759%0.585SS.*Hα-helixtrans-75.4-52173.7-530000110.8I15 Q16 E17 S21 T22I15-S19 PolarHBondContact O-N 2.97Å; I15-S19 PolarHBondContact O-OG 3.47Å; Q16-S19 WeakPolarHBondContact O-CA 3.31Å; Q16-S19 VanDerWaalsContact O-CB 3.3Å; Q16-S19 WeakPolarHBondContact O-CB 3.5Å; Q16-S19 PolarHBondContact O-N 2.94Å; E17-S19 PolarHBondContact O-N 3.22Å; S19-S21 PolarHBondContact O-N 2.9Å; S19-T22 WeakPolarHBondContact O-CB 3.38Å; S19-T22 PolarHBondContact O-N 3.32Å; S19-T22 VanDerWaalsContact O-N 3.16Å
20L49.9Very low55.7Low110 Ų110106.6 Ų106.658%0.57659%0.59SS**Hα-helixtrans-67.7-34.8-176.5-68.5167.3000113.2Q16 E17 T22 E23 S24Q16-L20 WeakPolarHBondContact O-CG 3.39Å; Q16-L20 PolarHBondContact O-N 3.25Å; E17-L20 PolarHBondContact O-N 3.31Å; L20-T22 PolarHBondContact O-N 2.98Å; L20-E23 PolarHBondContact O-N 3.02Å; L20-S24 PolarHBondContact O-N 2.76Å
21S41.9Very low54Low77 Ų77109.9 Ų109.954%0.53861%0.607SS.*THydrogen-bonded Turntrans-68.8-11.5175540000114.1E17 A18 S19E17-S21 VanDerWaalsContact O-CB 3.27Å; E17-S21 WeakPolarHBondContact O-CB 3.4Å; E17-S21 PolarHBondContact O-N 2.88Å; E17-S21 PolarHBondContact O-OG 2.78Å; A18-S21 PolarHBondContact O-OG 2.82Å; S19-S21 PolarHBondContact O-N 2.9Å
22T41.5Very low53.2Low120 Ų120112.6 Ų112.674%0.73663%0.625SS**THydrogen-bonded Turntrans-87.1-14.8169.3-53.70000112A18 S19 L20A18-T22 PolarHBondContact O-OG1 3.1Å; A18-T22 VanDerWaalsContact O-OG1 3.1Å; S19-T22 WeakPolarHBondContact O-CB 3.38Å; S19-T22 PolarHBondContact O-N 3.32Å; S19-T22 VanDerWaalsContact O-N 3.16Å; L20-T22 PolarHBondContact O-N 2.98Å
23E36.2Very low52.3Low129 Ų129112.9 Ų112.960%0.60363%0.627SS**THydrogen-bonded Turntrans-106.4-10.8-170.5-157.7159.8-136.800113.4L20 F25L20-E23 PolarHBondContact O-N 3.02Å; E23-F25 VanDerWaalsContact C-N 3.26Å; E23-F25 PolarHBondContact O-N 3.02Å
24S35.7Very low51.8Low81 Ų81112.3 Ų112.357%0.56662%0.62SS**SBendtrans-75.3-0.6-178.857.50000115.9L20L20-S24 PolarHBondContact O-N 2.76Å
25F35.1Very low51.6Low182 Ų182113 Ų11380%0.79864%0.635SS**  trans-127.171.3174.9-69.5-75.3000111.8E23 P27E23-F25 VanDerWaalsContact C-N 3.26Å; E23-F25 PolarHBondContact O-N 3.02Å; F25-P27 VanDerWaalsContact O-CD 3.32Å; F25-P27 WeakPolarHBondContact O-CD 3.34Å
26L37Very low51.7Low138 Ų138113.1 Ų113.172%0.72364%0.635SS**  trans-99.9102.5163.7-67.1-179.7000110.4
27P36.6Very low52.3Low100 Ų100115 Ų11565%0.64964%0.637SS**  trans-58.4140.7159.8-19.732.1000109.8F25 Q29F25-P27 VanDerWaalsContact O-CD 3.32Å; F25-P27 WeakPolarHBondContact O-CD 3.34Å; P27-Q29 PolarHBondContact O-N 3.17Å
28A38.3Very low52.6Low98 Ų98115.6 Ų115.681%0.8164%0.638SS**THydrogen-bonded Turntrans-59129.9-177.500000111.9S30A28-S30 PolarHBondContact O-N 3.42Å
29Q48.8Very low53.4Low185 Ų185122 Ų12286%0.86466%0.657SS**THydrogen-bonded Turntrans47.950.6169.8-59.2-67-7.100114.8P27 E31P27-Q29 PolarHBondContact O-N 3.17Å; Q29-E31 PolarHBondContact O-N 2.78Å
30S41.2Very low54.7Low93 Ų93121 Ų12165%0.6566%0.659SS**  trans-60.5124.1166.750.80000110.1A28A28-S30 PolarHBondContact O-N 3.42Å
31E51.1Low56Low164 Ų164120.9 Ų120.977%0.76666%0.662SS**  trans-56.9148.7-175.7-60.8-176.7130.600111.3Q29 I33Q29-E31 PolarHBondContact O-N 2.78Å; E31-I33 PolarHBondContact O-N 3.09Å
32S60.5Low57.9Low95 Ų95118.6 Ų118.666%0.66465%0.648SS**  trans-7374.7-176.156.20000112.4S45S32-S45 PolarHBondContact O-OG 2.89Å; S32-S45 PolarHBondContact OG-OG 3.42Å
33I64.8Low59.8Low113 Ų113116.2 Ų116.258%0.57963%0.63SS**  trans-74.3127.3175.6-64164.2000108.8E31 L35 A42E31-I33 PolarHBondContact O-N 3.09Å; I33-L35 PolarHBondContact O-N 3.48Å; I33-A42 HydrophobicContact CG2-CB 3.45Å; I33-A42 VanDerWaalsContact CG2-CB 3.45Å
34S70.9Confident61.7Low28 Ų28117.5 Ų117.520%0.19664%0.64CS.*  trans-66.6133.4179.2-173.10000111.9I36 A42 I43S34-I36 PolarHBondContact O-N 2.95Å; S34-I36 PolarHBondContact OG-N 3.11Å; S34-I36 VanDerWaalsContact OG-N 3.15Å; S34-A42 WeakPolarHBondContact O-CB 3.33Å; S34-I43 WeakPolarHBondContact CB-O 3.42Å
35L76.6Confident63.4Low172 Ų172116 Ų11690%0.90163%0.63SS**SBendtrans-65.9-19.8168.9-62178.2000112.1I33I33-L35 PolarHBondContact O-N 3.48Å
36I77.2Confident65.2Low109 Ų109112 Ų11256%0.55962%0.622SS**  trans-81.9120.5174.4-46.6177.7000108.2S34 I43S34-I36 PolarHBondContact O-N 2.95Å; S34-I36 PolarHBondContact OG-N 3.11Å; S34-I36 VanDerWaalsContact OG-N 3.15Å; I36-I43 HydrophobicContact CB-CD1 3.86Å; I36-I43 HydrophobicContact CB-CG1 4.46Å; I36-I43 HydrophobicContact CG2-CD1 3.51Å; I36-I43 HydrophobicContact CG2-CG1 4.39Å; I36-I43 WeakPolarHBondContact O-CG1 3.38Å; I36-I43 PolarHBondContact O-N 2.9Å
37R85Confident67Low164 Ų164113.8 Ų113.862%0.61963%0.631SS**EExtended strand (participates in β ladder)trans-121.2137.2-178.3-61.5178.3178-133.19.1111.5G40 V41 A42R37-G40 WeakPolarHBondContact CD-O 3.48Å; R37-G40 PolarHBondContact NH1-O 3.18Å; R37-V41 CarbonylContact C-O 3.46Å; R37-V41 WeakPolarHBondContact CA-O 3.49Å; R37-V41 WeakPolarHBondContact CB-O 3.29Å; R37-A42 HydrophobicContact CG-CB 4.36Å
38F69.3Low69.1Low141 Ų141110.9 Ų110.962%0.61861%0.61SS**EExtended strand (participates in β ladder)trans-112.8129.7166.4-81.1-77.6000108.8G40 V41 I43F38-G40 PolarHBondContact O-N 2.85Å; F38-G40 VanDerWaalsContact O-N 3.1Å; F38-V41 PolarHBondContact N-O 3.3Å; F38-V41 PolarHBondContact O-N 2.91Å; F38-I43 HydrophobicContact CD2-CD1 3.67Å; F38-I43 HydrophobicContact CD2-CG1 3.86Å; F38-I43 HydrophobicContact CE2-CD1 3.65Å; F38-I43 HydrophobicContact CE2-CG1 4.35Å
39H70.8Confident71.5Confident192 Ų192111.2 Ų111.289%0.88960%0.598SS**THydrogen-bonded Turntrans50.234.4-176.7-57.2-82.8000114.2V41H39-V41 PolarHBondContact O-N 3.37Å
40G80.1Confident73.3Confident51 Ų51107.2 Ų107.253%0.52659%0.586SS.*THydrogen-bonded Turntrans85-21.9-177.700000115.2R37 F38R37-G40 WeakPolarHBondContact CD-O 3.48Å; R37-G40 PolarHBondContact NH1-O 3.18Å; F38-G40 PolarHBondContact O-N 2.85Å; F38-G40 VanDerWaalsContact O-N 3.1Å
41V77.8Confident75.6Confident107 Ų107110 Ų11065%0.64859%0.588SS**EExtended strand (participates in β ladder)trans-79.5131.3177.8-174.20000110R37 F38 H39R37-V41 CarbonylContact C-O 3.46Å; R37-V41 WeakPolarHBondContact CA-O 3.49Å; R37-V41 WeakPolarHBondContact CB-O 3.29Å; F38-V41 PolarHBondContact N-O 3.3Å; F38-V41 PolarHBondContact O-N 2.91Å; H39-V41 PolarHBondContact O-N 3.37Å
42A81.4Confident77.2Confident28 Ų28107.5 Ų107.523%0.23158%0.575CS.*EExtended strand (participates in β ladder)trans-69.3140.1173.900000111.2I33 S34 R37I33-A42 HydrophobicContact CG2-CB 3.45Å; I33-A42 VanDerWaalsContact CG2-CB 3.45Å; S34-A42 WeakPolarHBondContact O-CB 3.33Å; R37-A42 HydrophobicContact CG-CB 4.36Å
43I81.5Confident78.4Confident71 Ų71110.2 Ų110.236%0.36457%0.571SS.*PPolyproline II helixtrans-64.6139.2171.4-57175.3000108.7S34 I36 F38 S45S34-I43 WeakPolarHBondContact CB-O 3.42Å; I36-I43 HydrophobicContact CB-CD1 3.86Å; I36-I43 HydrophobicContact CB-CG1 4.46Å; I36-I43 HydrophobicContact CG2-CD1 3.51Å; I36-I43 HydrophobicContact CG2-CG1 4.39Å; I36-I43 WeakPolarHBondContact O-CG1 3.38Å; I36-I43 PolarHBondContact O-N 2.9Å; F38-I43 HydrophobicContact CD2-CD1 3.67Å; F38-I43 HydrophobicContact CD2-CG1 3.86Å; F38-I43 HydrophobicContact CE2-CD1 3.65Å; F38-I43 HydrophobicContact CE2-CG1 4.35Å; I43-S45 PolarHBondContact O-N 3.4Å
44L77.1Confident79.7Confident156 Ų156111.7 Ų111.782%0.81757%0.573SS**PPolyproline II helixtrans-56138.3172.9-63.8175.1000110.7
45S70.2Confident80.7Confident50 Ų50115.7 Ų115.735%0.3559%0.589SS.*PPolyproline II helixtrans-59.1139.1173.1-99.40000110.6S32 I43 L47S32-S45 PolarHBondContact O-OG 2.89Å; S32-S45 PolarHBondContact OG-OG 3.42Å; I43-S45 PolarHBondContact O-N 3.4Å; S45-L47 PolarHBondContact O-N 3.43Å
46P72.3Confident81.3Confident98 Ų98112.1 Ų112.164%0.63657%0.569SS**PPolyproline II helixtrans-54.3128.8-178.5-28.335.7000112.5L48P46-L48 VanDerWaalsContact C-N 3.27Å; P46-L48 HydrophobicContact CB-CD1 4.16Å; P46-L48 HydrophobicContact CB-CG 4.07Å; P46-L48 PolarHBondContact O-N 3.46Å
47L76.7Confident81.9Confident174 Ų174113.5 Ų113.591%0.91157%0.573SS**  trans-71.383179-64.9179.2000110.5S45S45-L47 PolarHBondContact O-N 3.43Å
48L80.2Confident82.4Confident40 Ų40111.2 Ų111.221%0.20957%0.569CS.*  trans-103.4124.5-179.1-64.8167.2000110.4P46 K52 R53 M56P46-L48 VanDerWaalsContact C-N 3.27Å; P46-L48 HydrophobicContact CB-CD1 4.16Å; P46-L48 HydrophobicContact CB-CG 4.07Å; P46-L48 PolarHBondContact O-N 3.46Å; L48-K52 HydrophobicContact CB-CB 4.46Å; L48-K52 HydrophobicContact CD2-CB 4.1Å; L48-R53 HydrophobicContact CB-CG 3.75Å; L48-R53 PolarHBondContact O-NE 2.87Å; L48-R53 PolarHBondContact O-NH2 3.32Å; L48-M56 HydrophobicContact CD1-CE 3.52Å; L48-M56 HydrophobicContact CD1-SD 3.52Å; L48-M56 VanDerWaalsContact CD1-SD 3.52Å; L48-M56 HydrophobicContact CD2-SD 4Å; L48-M56 HydrophobicContact CG-SD 4.43Å
49N88.9Confident83.6Confident105 Ų105110.2 Ų110.256%0.56157%0.566SS**  trans-59.9155.2167.2-63.411.9000110.3E51 K52 R53N49-E51 PolarHBondContact O-N 2.92Å; N49-K52 PolarHBondContact O-N 3.47Å; N49-R53 PolarHBondContact O-N 3.22Å
50V85.6Confident84.8Confident100 Ų100107.9 Ų107.961%0.60655%0.554SS**Hα-helixtrans-55-39.2-176.5-178.80000112.3R53 K54V50-R53 PolarHBondContact O-N 2.74Å; V50-K54 PolarHBondContact O-N 3.05Å; V50-K54 VanDerWaalsContact O-N 3.1Å
51E88.9Confident85.5Confident151 Ų151110.3 Ų110.371%0.70655%0.551SS**Hα-helixtrans-59.8-50.4174.8-63.4164.9161.700112N49 R53 K54 E55N49-E51 PolarHBondContact O-N 2.92Å; E51-R53 VanDerWaalsContact C-N 3.26Å; E51-R53 PolarHBondContact O-N 3.12Å; E51-K54 WeakPolarHBondContact O-CA 3.18Å; E51-K54 WeakPolarHBondContact O-CB 3.17Å; E51-K54 PolarHBondContact O-N 2.98Å; E51-E55 PolarHBondContact O-N 3.44Å
52K86.3Confident86.4Confident112 Ų112110.3 Ų110.349%0.48754%0.542SS..Hα-helixtrans-64.6-28.8178.6-65.4-172.5175.8-177.70112.8L48 N49 M56L48-K52 HydrophobicContact CB-CB 4.46Å; L48-K52 HydrophobicContact CD2-CB 4.1Å; N49-K52 PolarHBondContact O-N 3.47Å; K52-M56 WeakPolarHBondContact O-CB 3.45Å; K52-M56 PolarHBondContact O-N 2.96Å
53R85.9Confident86.9Confident152 Ų152111.8 Ų111.857%0.57456%0.555SS**Hα-helixtrans-67.1-44.2170.8-62.4-178.5-158.6-170.64.5111.2L48 N49 V50 E51 Q57L48-R53 HydrophobicContact CB-CG 3.75Å; L48-R53 PolarHBondContact O-NE 2.87Å; L48-R53 PolarHBondContact O-NH2 3.32Å; N49-R53 PolarHBondContact O-N 3.22Å; V50-R53 PolarHBondContact O-N 2.74Å; E51-R53 VanDerWaalsContact C-N 3.26Å; E51-R53 PolarHBondContact O-N 3.12Å; R53-Q57 VanDerWaalsContact O-CB 3.26Å; R53-Q57 WeakPolarHBondContact O-CB 3.31Å; R53-Q57 PolarHBondContact O-N 3.46Å
54K90.6Very high87.6Confident144 Ų144112.5 Ų112.563%0.62656%0.559SS**Hα-helixtrans-63.7-41.8174.8-69177.9177.9-178.10111.8V50 E51 Q57 Q58V50-K54 PolarHBondContact O-N 3.05Å; V50-K54 VanDerWaalsContact O-N 3.1Å; E51-K54 WeakPolarHBondContact O-CA 3.18Å; E51-K54 WeakPolarHBondContact O-CB 3.17Å; E51-K54 PolarHBondContact O-N 2.98Å; K54-Q57 PolarHBondContact O-N 2.98Å; K54-Q58 PolarHBondContact O-N 3.42Å
55E91.9Very high88.4Confident112 Ų112108.2 Ų108.252%0.52354%0.537SS..Hα-helixtrans-58.2-56.9174.5-176177.5-149.300111.1E51 Q57 Q58 E59E51-E55 PolarHBondContact O-N 3.44Å; E55-Q57 VanDerWaalsContact C-N 3.27Å; E55-Q57 PolarHBondContact O-N 2.93Å; E55-Q58 WeakPolarHBondContact O-CB 3.16Å; E55-Q58 PolarHBondContact O-N 3.05Å; E55-E59 PolarHBondContact O-N 3.26Å
56M89.4Confident89.6Confident97 Ų97109.8 Ų109.848%0.47854%0.544SS..Hα-helixtrans-60.2-33176.1-80.1-179.32700113.4L48 K52 K60L48-M56 HydrophobicContact CD1-CE 3.52Å; L48-M56 HydrophobicContact CD1-SD 3.52Å; L48-M56 VanDerWaalsContact CD1-SD 3.52Å; L48-M56 HydrophobicContact CD2-SD 4Å; L48-M56 HydrophobicContact CG-SD 4.43Å; K52-M56 WeakPolarHBondContact O-CB 3.45Å; K52-M56 PolarHBondContact O-N 2.96Å; M56-K60 VanDerWaalsContact O-CB 3.27Å; M56-K60 WeakPolarHBondContact O-CB 3.48Å; M56-K60 PolarHBondContact O-N 2.83Å
57Q90.3Very high90.6Very high139 Ų139109.9 Ų109.965%0.6554%0.536SS*.Hα-helixtrans-67.8-39.7174.8-175.7174.4-100111.4R53 K54 E55 K60 Q61R53-Q57 VanDerWaalsContact O-CB 3.26Å; R53-Q57 WeakPolarHBondContact O-CB 3.31Å; R53-Q57 PolarHBondContact O-N 3.46Å; K54-Q57 PolarHBondContact O-N 2.98Å; E55-Q57 VanDerWaalsContact C-N 3.27Å; E55-Q57 PolarHBondContact O-N 2.93Å; Q57-K60 PolarHBondContact O-N 2.87Å; Q57-Q61 PolarHBondContact O-N 3.2Å
58Q95.4Very high91.5Very high115 Ų115104.2 Ų104.254%0.53751%0.514SS..Hα-helixtrans-68-40.4174.1-160.2-163.256.100111.6K54 E55 Q61 K62K54-Q58 PolarHBondContact O-N 3.42Å; E55-Q58 WeakPolarHBondContact O-CB 3.16Å; E55-Q58 PolarHBondContact O-N 3.05Å; Q58-Q61 PolarHBondContact O-N 3.03Å; Q58-K62 HydrophobicContact CG-CD 4.42Å; Q58-K62 WeakPolarHBondContact O-CB 3.46Å; Q58-K62 WeakPolarHBondContact O-CD 3.47Å; Q58-K62 VanDerWaalsContact O-CG 3.27Å; Q58-K62 WeakPolarHBondContact O-CG 3.15Å; Q58-K62 PolarHBondContact O-N 3.42Å
59E95.2Very high92.2Very high120 Ų120109.3 Ų109.356%0.56153%0.531SS*.Hα-helixtrans-63.9-41.5173.2-69.3-157.1129.300112.4E55 Q61 K62 A63E55-E59 PolarHBondContact O-N 3.26Å; E59-Q61 VanDerWaalsContact C-N 3.33Å; E59-Q61 PolarHBondContact O-N 2.69Å; E59-K62 PolarHBondContact O-N 2.78Å; E59-A63 WeakPolarHBondContact O-CB 3.35Å; E59-A63 PolarHBondContact O-N 2.99Å
60K95.1Very high92.4Very high144 Ų144109.5 Ų109.563%0.62653%0.527SS*.Hα-helixtrans-57.1-45.8173.2-179.4-175.6175.5-173.10111M56 Q57 A63 L64M56-K60 VanDerWaalsContact O-CB 3.27Å; M56-K60 WeakPolarHBondContact O-CB 3.48Å; M56-K60 PolarHBondContact O-N 2.83Å; Q57-K60 PolarHBondContact O-N 2.87Å; K60-A63 PolarHBondContact O-N 3.01Å; K60-L64 HydrophobicContact CG-CD1 4.36Å; K60-L64 WeakPolarHBondContact O-CG 3.48Å; K60-L64 PolarHBondContact O-N 3Å
61Q95.1Very high92.7Very high101 Ų101108.8 Ų108.847%0.47252%0.517SS..Hα-helixtrans-64.2-48.9177-170.658.844.900111.6Q57 Q58 E59 A63 L64 D65Q57-Q61 PolarHBondContact O-N 3.2Å; Q58-Q61 PolarHBondContact O-N 3.03Å; E59-Q61 VanDerWaalsContact C-N 3.33Å; E59-Q61 PolarHBondContact O-N 2.69Å; Q61-A63 PolarHBondContact O-N 3.36Å; Q61-L64 PolarHBondContact O-N 3.47Å; Q61-L64 VanDerWaalsContact O-N 3.08Å; Q61-D65 PolarHBondContact NE2-OD1 2.88Å; Q61-D65 PolarHBondContact O-N 3.29Å
62K96.3Very high93Very high107 Ų107105 Ų10547%0.46550%0.504SS..Hα-helixtrans-53.8-39.6175.3-73.1162.3171171.50112.1Q58 E59 V66Q58-K62 HydrophobicContact CG-CD 4.42Å; Q58-K62 WeakPolarHBondContact O-CB 3.46Å; Q58-K62 WeakPolarHBondContact O-CD 3.47Å; Q58-K62 VanDerWaalsContact O-CG 3.27Å; Q58-K62 WeakPolarHBondContact O-CG 3.15Å; Q58-K62 PolarHBondContact O-N 3.42Å; E59-K62 PolarHBondContact O-N 2.78Å; K62-V66 VanDerWaalsContact O-CG2 3.31Å; K62-V66 WeakPolarHBondContact O-CG2 3.3Å; K62-V66 PolarHBondContact O-N 2.94Å; K62-V66 VanDerWaalsContact O-N 3.08Å
63A93.1Very high93.2Very high60 Ų60104.1 Ų104.150%0.49650%0.504SS..Hα-helixtrans-68.2-43.3177.400000112.6E59 K60 Q61 V66 E67E59-A63 WeakPolarHBondContact O-CB 3.35Å; E59-A63 PolarHBondContact O-N 2.99Å; K60-A63 PolarHBondContact O-N 3.01Å; Q61-A63 PolarHBondContact O-N 3.36Å; A63-V66 PolarHBondContact O-N 3.41Å; A63-E67 PolarHBondContact O-N 3.04Å
64L95.1Very high93.5Very high86 Ų86103.3 Ų103.345%0.4550%0.501SS..Hα-helixtrans-61.6-42.9174-69.6170.2000111.3K60 Q61 V66 E67 A68K60-L64 HydrophobicContact CG-CD1 4.36Å; K60-L64 WeakPolarHBondContact O-CG 3.48Å; K60-L64 PolarHBondContact O-N 3Å; Q61-L64 PolarHBondContact O-N 3.47Å; Q61-L64 VanDerWaalsContact O-N 3.08Å; L64-V66 VanDerWaalsContact C-N 3.28Å; L64-V66 PolarHBondContact O-N 3.21Å; L64-E67 PolarHBondContact O-N 3.11Å; L64-A68 WeakPolarHBondContact O-CB 3.47Å; L64-A68 PolarHBondContact O-N 3.39Å
65D95.2Very high93.7Very high66 Ų66103.7 Ų103.735%0.35350%0.503SS..Hα-helixtrans-63.9-32.9176.7-59.2-16.9000112.1Q61 R69Q61-D65 PolarHBondContact NE2-OD1 2.88Å; Q61-D65 PolarHBondContact O-N 3.29Å; D65-R69 WeakPolarHBondContact O-CB 3.39Å; D65-R69 VanDerWaalsContact O-CG 3.31Å; D65-R69 WeakPolarHBondContact O-CG 3.25Å; D65-R69 PolarHBondContact O-N 2.94Å; D65-R69 VanDerWaalsContact O-N 3.09Å; D65-R69 PolarHBondContact O-NE 3.38Å
66V94.9Very high93.8Very high82 Ų82104.4 Ų104.450%0.49750%0.504SS..Hα-helixtrans-71.6-40.5173.7167.20000111.1K62 A63 L64 K70K62-V66 VanDerWaalsContact O-CG2 3.31Å; K62-V66 WeakPolarHBondContact O-CG2 3.3Å; K62-V66 PolarHBondContact O-N 2.94Å; K62-V66 VanDerWaalsContact O-N 3.08Å; A63-V66 PolarHBondContact O-N 3.41Å; L64-V66 VanDerWaalsContact C-N 3.28Å; L64-V66 PolarHBondContact O-N 3.21Å; V66-K70 VanDerWaalsContact O-CB 3.26Å; V66-K70 WeakPolarHBondContact O-CB 3.29Å; V66-K70 PolarHBondContact O-N 2.68Å
67E93.8Very high94Very high101 Ų101104.5 Ų104.547%0.47251%0.51SS..Hα-helixtrans-65.7-44.4174.3-178.9131.4-115.900111.7A63 L64 R69 K70 Q71A63-E67 PolarHBondContact O-N 3.04Å; L64-E67 PolarHBondContact O-N 3.11Å; E67-R69 PolarHBondContact O-N 3Å; E67-K70 CarbonylContact O-C 3.57Å; E67-K70 WeakPolarHBondContact O-CB 3.48Å; E67-K70 PolarHBondContact O-N 2.99Å; E67-K70 VanDerWaalsContact O-N 3.11Å; E67-Q71 HydrophobicContact CG-CG 4.38Å; E67-Q71 WeakPolarHBondContact O-CG 3.44Å; E67-Q71 PolarHBondContact O-N 3.5Å
68A94.5Very high94.1Very high55 Ų55103.1 Ų103.146%0.45551%0.507SS..Hα-helixtrans-56.5-50.2174.600000111.4L64 K70 Q71 V72L64-A68 WeakPolarHBondContact O-CB 3.47Å; L64-A68 PolarHBondContact O-N 3.39Å; A68-K70 VanDerWaalsContact C-N 3.3Å; A68-K70 PolarHBondContact O-N 3.3Å; A68-Q71 PolarHBondContact O-N 2.91Å; A68-V72 WeakPolarHBondContact O-CG2 3.37Å; A68-V72 PolarHBondContact O-N 3.19Å
69R94.8Very high94Very high146 Ų146103.3 Ų103.355%0.55151%0.511SS*.Hα-helixtrans-58.6-39174.2-78.3176.2-75.7178.9-8.6112.7D65 E67 V72 N73D65-R69 WeakPolarHBondContact O-CB 3.39Å; D65-R69 VanDerWaalsContact O-CG 3.31Å; D65-R69 WeakPolarHBondContact O-CG 3.25Å; D65-R69 PolarHBondContact O-N 2.94Å; D65-R69 VanDerWaalsContact O-N 3.09Å; D65-R69 PolarHBondContact O-NE 3.38Å; E67-R69 PolarHBondContact O-N 3Å; R69-V72 PolarHBondContact O-N 2.9Å; R69-N73 WeakPolarHBondContact O-CB 3.44Å; R69-N73 VanDerWaalsContact O-CG 3.24Å; R69-N73 PolarHBondContact O-N 3.24Å
70K93.9Very high93.9Very high109 Ų109102.2 Ų102.247%0.47451%0.513SS..Hα-helixtrans-67.1-37176.4-176.4-178.2179.8-174.40112.5V66 E67 A68 R74V66-K70 VanDerWaalsContact O-CB 3.26Å; V66-K70 WeakPolarHBondContact O-CB 3.29Å; V66-K70 PolarHBondContact O-N 2.68Å; E67-K70 CarbonylContact O-C 3.57Å; E67-K70 WeakPolarHBondContact O-CB 3.48Å; E67-K70 PolarHBondContact O-N 2.99Å; E67-K70 VanDerWaalsContact O-N 3.11Å; A68-K70 VanDerWaalsContact C-N 3.3Å; A68-K70 PolarHBondContact O-N 3.3Å; K70-R74 VanDerWaalsContact O-CG 3.32Å; K70-R74 WeakPolarHBondContact O-CG 3.41Å; K70-R74 PolarHBondContact O-N 3.19Å
71Q91.1Very high93.7Very high85 Ų85102.9 Ų102.940%0.39751%0.511SS..Hα-helixtrans-71.1-40.6173.9-63.3-72.439.600111.7E67 A68 R74 K75E67-Q71 HydrophobicContact CG-CG 4.38Å; E67-Q71 WeakPolarHBondContact O-CG 3.44Å; E67-Q71 PolarHBondContact O-N 3.5Å; A68-Q71 PolarHBondContact O-N 2.91Å; Q71-R74 WeakPolarHBondContact O-CB 3.39Å; Q71-R74 PolarHBondContact O-N 2.85Å; Q71-K75 WeakPolarHBondContact O-CG 3.04Å; Q71-K75 PolarHBondContact O-N 3.33Å
72V94.4Very high93.6Very high72 Ų72101.4 Ų101.444%0.43651%0.509SS..Hα-helixtrans-60.2-45.1171.6170.40000110.7A68 R69 R74 K75 K76A68-V72 WeakPolarHBondContact O-CG2 3.37Å; A68-V72 PolarHBondContact O-N 3.19Å; R69-V72 PolarHBondContact O-N 2.9Å; V72-R74 PolarHBondContact O-N 3.23Å; V72-K75 WeakPolarHBondContact O-CB 3.15Å; V72-K75 PolarHBondContact O-N 3.32Å; V72-K76 HydrophobicContact CG1-CD 4.31Å; V72-K76 HydrophobicContact CG1-CG 4.45Å; V72-K76 WeakPolarHBondContact O-CG 3.46Å; V72-K76 PolarHBondContact O-N 3.04Å
73N92.3Very high93.3Very high93 Ų93100.9 Ų100.950%0.49751%0.508SS..Hα-helixtrans-65.1-38.5177.8-72.7-6.8000112.2R69 K76 T77R69-N73 WeakPolarHBondContact O-CB 3.44Å; R69-N73 VanDerWaalsContact O-CG 3.24Å; R69-N73 PolarHBondContact O-N 3.24Å; N73-K76 PolarHBondContact O-N 3.06Å; N73-T77 PolarHBondContact O-N 3.32Å; N73-T77 PolarHBondContact O-OG1 3.02Å; N73-T77 VanDerWaalsContact O-OG1 3.07Å
74R92.1Very high93.2Very high136 Ų136103 Ų10351%0.51351%0.508SS..Hα-helixtrans-58.9-45.7170.3-77.3164.2165174-5112.2K70 Q71 V72 T77 L78K70-R74 VanDerWaalsContact O-CG 3.32Å; K70-R74 WeakPolarHBondContact O-CG 3.41Å; K70-R74 PolarHBondContact O-N 3.19Å; Q71-R74 WeakPolarHBondContact O-CB 3.39Å; Q71-R74 PolarHBondContact O-N 2.85Å; V72-R74 PolarHBondContact O-N 3.23Å; R74-T77 PolarHBondContact O-N 3.21Å; R74-L78 WeakPolarHBondContact O-CB 3.44Å; R74-L78 PolarHBondContact O-N 3.1Å
75K94.6Very high92.9Very high151 Ų151103.4 Ų103.466%0.65751%0.509SS*.Hα-helixtrans-61.2-45174.9-73.2-176.8176.7-173.20111.1Q71 V72 L78 L79Q71-K75 WeakPolarHBondContact O-CG 3.04Å; Q71-K75 PolarHBondContact O-N 3.33Å; V72-K75 WeakPolarHBondContact O-CB 3.15Å; V72-K75 PolarHBondContact O-N 3.32Å; K75-L78 PolarHBondContact O-N 2.88Å; K75-L79 WeakPolarHBondContact O-CG 3.22Å; K75-L79 PolarHBondContact O-N 3Å
76K94.3Very high92.6Very high127 Ų127104.1 Ų104.155%0.55251%0.513SS*.Hα-helixtrans-59.4-49.8175.3-73.6-175.7175.4-171.20112V72 N73 L78 L79 T80V72-K76 HydrophobicContact CG1-CD 4.31Å; V72-K76 HydrophobicContact CG1-CG 4.45Å; V72-K76 WeakPolarHBondContact O-CG 3.46Å; V72-K76 PolarHBondContact O-N 3.04Å; N73-K76 PolarHBondContact O-N 3.06Å; K76-L78 VanDerWaalsContact C-N 3.28Å; K76-L78 PolarHBondContact O-N 3.18Å; K76-L79 PolarHBondContact O-N 3.35Å; K76-L79 VanDerWaalsContact O-N 3.13Å; K76-T80 PolarHBondContact O-N 3.11Å; K76-T80 PolarHBondContact O-OG1 3.21Å; K76-T80 VanDerWaalsContact O-OG1 3.05Å
77T92.3Very high92.2Very high99 Ų99103.5 Ų103.561%0.60751%0.507SS*.Hα-helixtrans-60.4-36.4176.4-55.30000112.6N73 R74 R81N73-T77 PolarHBondContact O-N 3.32Å; N73-T77 PolarHBondContact O-OG1 3.02Å; N73-T77 VanDerWaalsContact O-OG1 3.07Å; R74-T77 PolarHBondContact O-N 3.21Å; T77-R81 WeakPolarHBondContact O-CB 3.39Å; T77-R81 PolarHBondContact O-N 3.35Å
78L93.4Very high91.4Very high111 Ų111103.5 Ų103.558%0.58151%0.51SS*.Hα-helixtrans-66.2-44.8173.7-177.362000111.5R74 K75 K76 R81 V82R74-L78 WeakPolarHBondContact O-CB 3.44Å; R74-L78 PolarHBondContact O-N 3.1Å; K75-L78 PolarHBondContact O-N 2.88Å; K76-L78 VanDerWaalsContact C-N 3.28Å; K76-L78 PolarHBondContact O-N 3.18Å; L78-R81 PolarHBondContact O-N 3.4Å; L78-V82 WeakPolarHBondContact O-CG2 3.39Å; L78-V82 PolarHBondContact O-N 3.28Å
79L92.7Very high90.5Very high119 Ų119104.6 Ų104.662%0.62351%0.511SS*.Hα-helixtrans-63.8-44.3176.6-70.7168.4000112.1K75 K76 R81 V82 Q83K75-L79 WeakPolarHBondContact O-CG 3.22Å; K75-L79 PolarHBondContact O-N 3Å; K76-L79 PolarHBondContact O-N 3.35Å; K76-L79 VanDerWaalsContact O-N 3.13Å; L79-R81 VanDerWaalsContact C-N 3.27Å; L79-R81 PolarHBondContact O-N 3.37Å; L79-V82 PolarHBondContact O-N 2.79Å; L79-V82 VanDerWaalsContact O-N 3.13Å; L79-Q83 PolarHBondContact O-N 3.17Å
80T92.5Very high88.8Confident97 Ų97103.6 Ų103.660%0.59551%0.512SS*.Hα-helixtrans-58.5-40.3173.7-550000111.4K76 Q83 E84K76-T80 PolarHBondContact O-N 3.11Å; K76-T80 PolarHBondContact O-OG1 3.21Å; K76-T80 VanDerWaalsContact O-OG1 3.05Å; T80-Q83 PolarHBondContact O-N 3.41Å; T80-E84 WeakPolarHBondContact O-CB 3.32Å; T80-E84 PolarHBondContact O-N 3.06Å
81R91.8Very high86.9Confident158 Ų158104.1 Ų104.160%0.59653%0.525SS*.Hα-helixtrans-71.4-32176.2-173.3177.2176.4-158-5.1113T77 L78 L79 I85T77-R81 WeakPolarHBondContact O-CB 3.39Å; T77-R81 PolarHBondContact O-N 3.35Å; L78-R81 PolarHBondContact O-N 3.4Å; L79-R81 VanDerWaalsContact C-N 3.27Å; L79-R81 PolarHBondContact O-N 3.37Å; R81-I85 HydrophobicContact CG-CD1 4.3Å; R81-I85 WeakPolarHBondContact O-CD1 3.39Å; R81-I85 WeakPolarHBondContact O-CG1 3.36Å; R81-I85 PolarHBondContact O-N 3.05Å; R81-I85 VanDerWaalsContact O-N 3.07Å
82V93.6Very high85Confident70 Ų70109.8 Ų109.842%0.42454%0.542SS..Hα-helixtrans-68.3-42.4171.7168.40000110.1L78 L79 I85 L86L78-V82 WeakPolarHBondContact O-CG2 3.39Å; L78-V82 PolarHBondContact O-N 3.28Å; L79-V82 PolarHBondContact O-N 2.79Å; L79-V82 VanDerWaalsContact O-N 3.13Å; V82-I85 PolarHBondContact O-N 2.66Å; V82-L86 HydrophobicContact CG1-CD1 4.19Å; V82-L86 WeakPolarHBondContact O-CG 3.36Å; V82-L86 PolarHBondContact O-N 3.24Å
83Q89.2Confident82.9Confident95 Ų95114.4 Ų114.444%0.44456%0.557SS.*Hα-helixtrans-61-49.7174-168.862.448.600111.2L79 T80 I85 L86 D87L79-Q83 PolarHBondContact O-N 3.17Å; T80-Q83 PolarHBondContact O-N 3.41Å; Q83-I85 PolarHBondContact O-N 3.49Å; Q83-L86 CarbonylContact O-C 3.53Å; Q83-L86 WeakPolarHBondContact O-CA 3.42Å; Q83-L86 WeakPolarHBondContact O-CB 3.41Å; Q83-L86 PolarHBondContact O-N 3.41Å; Q83-D87 PolarHBondContact NE2-OD1 3.45Å; Q83-D87 PolarHBondContact O-N 3.28Å
84E90.8Very high80.3Confident106 Ų106114 Ų11450%0.49557%0.566SS.*Hα-helixtrans-51.5-40.8173.2-179.8-170.8-170.700111.8T80 N88T80-E84 WeakPolarHBondContact O-CB 3.32Å; T80-E84 PolarHBondContact O-N 3.06Å; E84-N88 WeakPolarHBondContact O-CB 3.38Å; E84-N88 PolarHBondContact O-N 2.81Å; E84-N88 PolarHBondContact O-ND2 2.96Å
85I89Confident77.7Confident93 Ų93113.5 Ų113.548%0.47758%0.58SS.*Hα-helixtrans-69.9-40.9175.8-71164.2000111.7R81 V82 Q83 V89R81-I85 HydrophobicContact CG-CD1 4.3Å; R81-I85 WeakPolarHBondContact O-CD1 3.39Å; R81-I85 WeakPolarHBondContact O-CG1 3.36Å; R81-I85 PolarHBondContact O-N 3.05Å; R81-I85 VanDerWaalsContact O-N 3.07Å; V82-I85 PolarHBondContact O-N 2.66Å; Q83-I85 PolarHBondContact O-N 3.49Å; I85-V89 WeakPolarHBondContact O-CB 3.1Å; I85-V89 VanDerWaalsContact O-CG2 3.25Å; I85-V89 WeakPolarHBondContact O-CG2 3.3Å; I85-V89 PolarHBondContact O-N 2.73Å
86L88.4Confident75Confident82 Ų82113.2 Ų113.243%0.42959%0.586SS.*Hα-helixtrans-64.1-44176.2-70.4171.4000111.3V82 Q83 V89 Q90V82-L86 HydrophobicContact CG1-CD1 4.19Å; V82-L86 WeakPolarHBondContact O-CG 3.36Å; V82-L86 PolarHBondContact O-N 3.24Å; Q83-L86 CarbonylContact O-C 3.53Å; Q83-L86 WeakPolarHBondContact O-CA 3.42Å; Q83-L86 WeakPolarHBondContact O-CB 3.41Å; Q83-L86 PolarHBondContact O-N 3.41Å; L86-V89 CarbonylContact O-C 3.57Å; L86-V89 PolarHBondContact O-N 3.36Å; L86-V89 VanDerWaalsContact O-N 3.1Å; L86-Q90 WeakPolarHBondContact O-CG 3.33Å; L86-Q90 PolarHBondContact O-N 3.48Å
87D86.5Confident72.5Confident69 Ų69112.7 Ų112.737%0.36961%0.606SS.*Hα-helixtrans-63.1-47.2178.3-56.3-23.6000110.4Q83 V89 Q90 V91Q83-D87 PolarHBondContact NE2-OD1 3.45Å; Q83-D87 PolarHBondContact O-N 3.28Å; D87-V89 PolarHBondContact O-N 2.78Å; D87-Q90 PolarHBondContact O-N 3.15Å; D87-Q90 VanDerWaalsContact O-N 3.12Å; D87-V91 WeakPolarHBondContact O-CG2 3.24Å; D87-V91 PolarHBondContact O-N 3.32Å
88N77.5Confident70.3Confident100 Ų100112.2 Ų112.254%0.53561%0.606SS.*Hα-helixtrans-67.1-11.5174.5-80-78.6000114.3E84E84-N88 WeakPolarHBondContact O-CB 3.38Å; E84-N88 PolarHBondContact O-N 2.81Å; E84-N88 PolarHBondContact O-ND2 2.96Å
89V74.9Confident67.8Low79 Ų79114.7 Ų114.748%0.47962%0.62SS.*Hα-helixtrans-93.1-36.9169.8166.20000110.9I85 L86 D87 R92 K93I85-V89 WeakPolarHBondContact O-CB 3.1Å; I85-V89 VanDerWaalsContact O-CG2 3.25Å; I85-V89 WeakPolarHBondContact O-CG2 3.3Å; I85-V89 PolarHBondContact O-N 2.73Å; L86-V89 CarbonylContact O-C 3.57Å; L86-V89 PolarHBondContact O-N 3.36Å; L86-V89 VanDerWaalsContact O-N 3.1Å; D87-V89 PolarHBondContact O-N 2.78Å; V89-R92 CarbonylContact O-C 3.55Å; V89-R92 WeakPolarHBondContact O-CA 3Å; V89-R92 PolarHBondContact O-N 3.26Å; V89-K93 PolarHBondContact O-N 3.17Å
90Q59.6Low65.1Low124 Ų124118.7 Ų118.758%0.57963%0.633SS**Hα-helixtrans-66.7-37.4174.7-71.5-178.843.400112.1L86 D87 R92 K93L86-Q90 WeakPolarHBondContact O-CG 3.33Å; L86-Q90 PolarHBondContact O-N 3.48Å; D87-Q90 PolarHBondContact O-N 3.15Å; D87-Q90 VanDerWaalsContact O-N 3.12Å; Q90-R92 PolarHBondContact O-N 2.9Å; Q90-R92 VanDerWaalsContact O-N 3.07Å; Q90-K93 PolarHBondContact O-N 3.42Å
91V54.4Low62.7Low120 Ų120122.2 Ų122.273%0.72765%0.648SS**THydrogen-bonded Turntrans-64.4-7.5170.4174.70000112.8D87D87-V91 WeakPolarHBondContact O-CG2 3.24Å; D87-V91 PolarHBondContact O-N 3.32Å
92R51.1Low60.1Low204 Ų204123.6 Ų123.677%0.7766%0.661SS**THydrogen-bonded Turntrans-11117.2168.4-74.3-165.4-63.9127.92.7114.5V89 Q90V89-R92 CarbonylContact O-C 3.55Å; V89-R92 WeakPolarHBondContact O-CA 3Å; V89-R92 PolarHBondContact O-N 3.26Å; Q90-R92 PolarHBondContact O-N 2.9Å; Q90-R92 VanDerWaalsContact O-N 3.07Å
93K49.6Very low57.1Low170 Ų170132 Ų13274%0.73969%0.686SS**SBendtrans-78.9136.5143-71-172.3173.8-175.20107.3V89 Q90V89-K93 PolarHBondContact O-N 3.17Å; Q90-K93 PolarHBondContact O-N 3.42Å
94A38.3Very low54.5Low83 Ų83136.9 Ų136.969%0.68671%0.708SS**PPolyproline II helixtrans-64151.7-178.200000111.1
95P38.3Very low51.8Low126 Ų126140.2 Ų140.282%0.81873%0.726SS**PPolyproline II helixtrans-51.7144156.5-21.233.2000109.7
96N36.6Very low48.9Very low145 Ų145144.6 Ų144.678%0.77574%0.744SS**PPolyproline II helixtrans-64.2149.3175.7-65.4-43.3000110S98N96-S98 PolarHBondContact O-N 3.22Å
97A42.8Very low46.2Very low117 Ų117147.5 Ų147.597%0.96777%0.766SS**SBendtrans-77.169.4-177.100000111.9
98S46.5Very low43.6Very low89 Ų89150.2 Ų150.262%0.62279%0.785SS**  trans-162.871.3176.660.50000110.5N96N96-S98 PolarHBondContact O-N 3.22Å
99D39.8Very low41.2Very low163 Ų163155.8 Ų155.887%0.87280%0.8SS**  trans-177.657.3162-93.1-21.7000109.2
100F36.8Very low39Very low202 Ų202156.4 Ų156.489%0.88681%0.807SS**  trans-143.463.5179.5-125.1-74.5000110.5
101D40.9Very low37.3Very low171 Ų171158 Ų15891%0.91482%0.82SS**SBendtrans-158.137.3174.6-103-27.8000112.7
102Q37.6Very low36.1Very low187 Ų187157.4 Ų157.487%0.87482%0.821SS**SBendtrans-150.843.5176.3-151.5154.945.700116.3
103W31.2Very low35Very low248 Ų248155.9 Ų155.994%0.93982%0.823SS**SBendtrans-1356.8167.6-88.8-28.5000116
104E35.2Very low34.1Very low196 Ų196153.3 Ų153.392%0.91682%0.821SS**SBendtrans-101.155.1169.9-68-158.2159.300112.6
105M32.2Very low33.7Very low176 Ų176159.4 Ų159.487%0.86783%0.826SS**SBendtrans-161.6158.2157.4-109.5163.867.800110
106E28.9Very low33.1Very low186 Ų186159.9 Ų159.987%0.86982%0.822SS**  trans75.252.1-179.7-54.5-163.6143.400118.2
107T31.1Very low32.6Very low143 Ų143160 Ų16088%0.87782%0.822SS**  trans-96.483.1136.1570000110.3
108V32.8Very low31.8Very low126 Ų126161.3 Ų161.376%0.76481%0.812SS**  trans-168.2137.6158.4126.90000112.4
109Y26.6Very low30.9Very low217 Ų217163.3 Ų163.385%0.85182%0.821SS**  trans69.4154.9165.1-99.7-112.2000121.7
110S28.2Very low31Very low92 Ų92161 Ų16164%0.64381%0.814SS**  trans-128.9172.8178.4-51.80000109.9
111N24.8Very low30.4Very low156 Ų156155.7 Ų155.783%0.83481%0.808SS**  trans95.6163.2163.7-47.5-34.6000117.7
112S28.3Very low29.6Very low108 Ų108154 Ų15476%0.75580%0.804SS**  trans84.478.1173-157.80000119.2
113E28.8Very low29.2Very low173 Ų173154.5 Ų154.581%0.80880%0.803SS**  38.1133.1111.2-68.5-168119.900123
114V30.7Very low29.7Very low115 Ų115147.7 Ų147.770%0.69779%0.791SS**  80101128.41750000120.9
115R28.9Very low29.3Very low211 Ų211145.1 Ų145.180%0.79678%0.784SS**  70.5104.4120.6-166.2-172.6-78.1-172.6-2.5121.5
116N26.7Very low28.9Very low137 Ų137141.5 Ų141.573%0.73378%0.776SS**  trans81.2154.2133.8-65.21000123.8
117L25.9Very low29Very low148 Ų148142.3 Ų142.378%0.77578%0.777SS**  trans98.8136.8145.5-78.1146.2000121.3
118N26Very low29.2Very low143 Ų143141.7 Ų141.777%0.76578%0.776SS**  trans83.380.1151.7-59.4-15.1000122.6
119V28.1Very low28.8Very low132 Ų132140.1 Ų140.180%0.877%0.77SS**  -48.4158.2126163.20000111.4
120P40.4Very low28.8Very low113 Ų113138 Ų13873%0.73477%0.768SS**  cis-136.8-179.51431.1-7.6000118.9
121A25.3Very low28.7Very low91 Ų91138.4 Ų138.475%0.75277%0.766SS**  trans69.1145.8146.400000119.5
122T24.5Very low28.8Very low135 Ų135138.4 Ų138.483%0.82876%0.761SS**  cis-154.4159.346.1-54.30000114.1
123F29.6Very low28.7Very low198 Ų198142.2 Ų142.287%0.86877%0.767SS**  trans-69.5-174.6170.6-78.6-80.9000113.1
124P41.5Very low28.6Very low105 Ų105138.9 Ų138.968%0.68276%0.762SS**  cis-130.3-162.711.242.4-20.2000113.5
125N25.6Very low28.3Very low142 Ų142139.7 Ų139.776%0.75977%0.768SS**  cis-167.615833.8-136.4-4.4000115.7
126S24.6Very low28.1Very low101 Ų101134.5 Ų134.571%0.70677%0.77SS**  trans57.5129.2150.4-550000124.5
127F29.8Very low28.1Very low202 Ų202133 Ų13389%0.88678%0.777SS**  trans-84.5170.1149.7-69.3-84000111.3
128P36.5Very low28.4Very low131 Ų131135.8 Ų135.885%0.85178%0.783SS**  -139.8-16710740.1-27.9000114.2
129S25Very low28.6Very low93 Ų93136.5 Ų136.565%0.6579%0.786SS**  trans-141.4172.4-164.152.50000114.2
130H26Very low28.5Very low173 Ų173135.6 Ų135.680%0.80178%0.776SS**  trans69.6158.5164.5-66.3-62.6000117
131T25.1Very low28.2Very low100 Ų100137.9 Ų137.961%0.61378%0.775SS**  cis-163.7153-15.4-107.60000112.3
132E27.4Very low28.2Very low155 Ų155141.2 Ų141.272%0.72478%0.778SS**  trans21.3133.3157.6-61.4155.1-128.600125.1
133H26.6Very low28.2Very low189 Ų189139.2 Ų139.288%0.87578%0.776SS**  -134.7135120.6-62.8-36.9000106.1
134S26.8Very low28Very low102 Ų102133.4 Ų133.471%0.71377%0.771SS**  cis65.4124.643-141.60000112.2
135T25Very low27.3Very low132 Ų132136.6 Ų136.681%0.8178%0.781SS**  cis-149.815630.650.40000112.6
136A24.7Very low27.2Very low103 Ų103137.5 Ų137.585%0.85179%0.785SS**  trans-173.5135.8143.400000112.3
137A25.5Very low28Very low106 Ų106137.5 Ų137.588%0.87678%0.783SS**  trans-43.8142.1-168.300000120.9
138K31.7Very low27.7Very low205 Ų205134.9 Ų134.989%0.89178%0.777SS**  trans-103.7161.3151.7-76-177.6176.31780110.2
139L30.2Very low27Very low158 Ų158135.1 Ų135.183%0.82777%0.771SS**  trans174.8151.4152.1-94.3164.9000106.2
140D27.6Very low27.3Very low113 Ų113137.4 Ų137.460%0.60478%0.776SS**  cis-170.2162.8-13.3-143.230000106.1
141K32.7Very low27.5Very low162 Ų162136.2 Ų136.270%0.70477%0.771SS**  cis-145.9-144.2-12.6-139.8174.5-150.970.30105.3
142I26.2Very low27.8Very low160 Ų160137.2 Ų137.282%0.82177%0.772SS**  cis-136.6176.2-2.8-40.9158.3000106.7
143A23.4Very low27.9Very low94 Ų94136.6 Ų136.678%0.77777%0.769SS**  trans-91.2175.7167.800000113.1
144G26Very low28Very low75 Ų75131.6 Ų131.677%0.77376%0.755SS**  trans-104.3176.5-177.200000116
145I26.3Very low28.3Very low173 Ų173135.6 Ų135.689%0.88776%0.76SS**  trans-142.6154.9177.1-42-179.4000109.1
146L24.4Very low28.5Very low160 Ų160134 Ų13484%0.83875%0.75SS**  trans-86-155.2166.2-57.2160.5000109.5
147P40.5Very low28.7Very low102 Ų102136.9 Ų136.966%0.66275%0.751SS**  cis-120.4-164.2-42.538.7-22.9000111.2
148L23.8Very low28.9Very low146 Ų146135.2 Ų135.276%0.76474%0.744SS**  trans63.9161.7157.2-95.358000116.7
149D22.6Very low29Very low136 Ų136131.5 Ų131.573%0.72774%0.739SS**  cis-129.8161.35.5-100.4-51.5000112.4
150N30.7Very low29.2Very low142 Ų142130.1 Ų130.176%0.75973%0.732SS**  trans-100.2140.2145.7-61.3-77.8000107.4
151E30.7Very low29.6Very low148 Ų148131.6 Ų131.669%0.69274%0.739SS**  -131.8134.1124.6-85.9-143.3-167.700105.7Q153E151-Q153 PolarHBondContact OE2-NE2 3.45Å
152D30.4Very low29.6Very low120 Ų120127.4 Ų127.464%0.64274%0.735SS**  67.9144.560.7-65.7-59.2000110.8
153Q31.1Very low30.2Very low142 Ų142129.8 Ų129.866%0.66473%0.734SS**  cis-142.4134.838.7-70.9172.520.200115.3E151E151-Q153 PolarHBondContact OE2-NE2 3.45Å
154C27.4Very low30.7Very low84 Ų84131.4 Ų131.457%0.56873%0.729SS**  30.6121.4121-55.90000120.1
155K32.8Very low31.2Very low187 Ų187132.4 Ų132.481%0.81372%0.724SS**  -172.3103.7116-96142.7-169.5163.10109.6
156T29.8Very low31.5Very low99 Ų99133.2 Ų133.261%0.60772%0.724SS**  92.9145.961.755.50000113.3
157N29.9Very low31.7Very low162 Ų162129.3 Ų129.387%0.86672%0.723SS**  trans77127.1178.4-41.4-27.8000113.2
158G29.2Very low31Very low71 Ų71133.8 Ų133.873%0.73273%0.732SS**  cis114.5142.41.600000112.2
159T33.8Very low31Very low128 Ų128133.9 Ų133.979%0.78573%0.733SS**  cis-138-168.2-16.961.90000107.1
160D34.6Very low31.3Very low129 Ų129132.1 Ų132.169%0.6973%0.732SS**  cis-159.3-170.28.7-126-51.4000106.2
161L36.4Very low31.7Very low143 Ų143130.3 Ų130.375%0.74973%0.728SS**  cis-156.2170.11.2-119.9-171.4000103.9
162A32.1Very low31.4Very low75 Ų75131.7 Ų131.762%0.6273%0.731SS**  cis-157.1167.43.500000111.5
163R37.8Very low31Very low210 Ų210133.9 Ų133.979%0.79274%0.738SS**  trans4.5147.8136.1-62.3-146.9-140.4178.63.9120.5
164D33.8Very low30.5Very low128 Ų128131.1 Ų131.168%0.68473%0.733SS**  cis-166.31633.4-96.9-14.8000107.5
165S37.9Very low30.3Very low95 Ų95133.6 Ų133.666%0.66474%0.741SS**  cis-167.4-171.3-19.3-164.50000110
166E32.2Very low29.8Very low191 Ų191129.1 Ų129.189%0.89373%0.733SS**  trans14141.8162.3-70.5175.3144.600124.1
167G27.7Very low29.6Very low78 Ų78129.2 Ų129.280%0.80474%0.738SS**  trans157.193.9155.700000117.2
168F26.1Very low29.5Very low195 Ų195128.9 Ų128.986%0.85574%0.736SS**  trans-86.4141.6171.2-75.7-102000112.3
169N24.1Very low29.3Very low148 Ų148132.9 Ų132.979%0.79174%0.739SS**  175.3161.2102-97.3-66.5000116.4
170S28.4Very low29.1Very low100 Ų100131.3 Ų131.370%0.69973%0.733SS**  trans-84.6-177.8169.576.60000110.9
171P38.8Very low28.6Very low103 Ų103133.6 Ų133.667%0.66974%0.74SS**  cis-154.217637.745.5-23.8000120.2
172K25.4Very low28.1Very low177 Ų177131.2 Ų131.277%0.7773%0.731SS**  trans49.9151.8136.7-77.7178.5177.8-1790124.2
173Q22.5Very low27.7Very low166 Ų166135.1 Ų135.178%0.77674%0.736SS**  trans71156.8146.2-85-175.8-85.100117.4
174C20.9Very low27Very low85 Ų85132.4 Ų132.457%0.57474%0.737SS**  cis-154.4-160.8-22.2-138.60000109.2
175D21.5Very low27Very low135 Ų135134.9 Ų134.972%0.72275%0.745SS**  trans9.1145134.6-52.7-40.2000118.8
176S22.9Very low26.3Very low93 Ų93135.1 Ų135.165%0.6575%0.752SS**  cis-179.7-162.3-5.2560000108.2
177S25Very low26.5Very low102 Ų102135.8 Ų135.871%0.71375%0.753SS**  trans60.2118.3141.8-55.80000121.2
178N28.8Very low26.9Very low155 Ų155136.8 Ų136.883%0.82975%0.745SS**  trans-45.5143155.3-38.7-77.5000113.8
179I25.3Very low26.8Very low155 Ų155136.7 Ų136.780%0.79574%0.744SS**  trans-170.5122.8136.5-94.5146.8000104.6
180S28.5Very low26.8Very low94 Ų94136.9 Ų136.966%0.65775%0.751SS**  cis82.760.737.186.80000115.3
181H23.9Very low26.6Very low178 Ų178137.3 Ų137.382%0.82475%0.754SS**  trans-170156.8147.1-113.9-128.6000106.6
182V25.7Very low25.9Very low93 Ų93138.1 Ų138.156%0.56476%0.762SS**  cis165169-16.71330000104.3
183E24Very low26Very low156 Ų156134.5 Ų134.573%0.72977%0.765SS**  trans69.8109.6166.6-82.6161.7-134.900119.9
184N23.6Very low26.1Very low153 Ų153133.1 Ų133.182%0.81877%0.768SS**  79.5143.2119.1-63.7-4.6000122.5
185E33.8Very low27Very low181 Ų181134.2 Ų134.285%0.84677%0.774SS**  trans-68.7150178.9-47.4-177.4140.100112.9
186A23.8Very low27.2Very low99 Ų99134.8 Ų134.882%0.81877%0.773SS**  trans-151.697.5154.300000111.2
187F35.5Very low27.3Very low206 Ų206137.7 Ų137.790%0.90478%0.776SS**  trans-81.7136.3161-87-83.5000110.6
188P36.4Very low27.3Very low98 Ų98137.6 Ų137.664%0.63677%0.771SS**  trans-106.3152.315135.1-27.6000110.6
189K24.1Very low27.2Very low193 Ų193136.9 Ų136.984%0.83977%0.767SS**  cis-168.7143.7-5.7-108.8167.5-174.6174.80107.4
190T23.3Very low27.2Very low153 Ų153136.8 Ų136.894%0.93977%0.766SS**  trans178.9166.4136.121.40000110.6
191S25Very low27.2Very low108 Ų108136.2 Ų136.276%0.75576%0.762SS**  trans-137.7150-157.3500000114.5
192S24.9Very low27.4Very low120 Ų120135.1 Ų135.184%0.83976%0.762SS**  trans168.916713146.10000113.2
193A25.5Very low27.3Very low102 Ų102134 Ų13484%0.84377%0.77SS**  trans79.8112.4171.800000119.4
194T26.2Very low27.6Very low136 Ų136133.4 Ų133.483%0.83477%0.771SS**  trans-104.5-179.1164.730.80000110
195P39.9Very low27.6Very low108 Ų108134.7 Ų134.770%0.70177%0.77SS**  cis-118.2-158.8-233.8-10.9000111.2
196Q25.1Very low27.2Very low148 Ų148130.7 Ų130.769%0.69276%0.762SS**  cis-166.8139.220.5-160.4164.2-15.200112.4
197E24.7Very low27.3Very low154 Ų154131.8 Ų131.872%0.7276%0.758SS**  trans54.8153.4147.6-69.4-172.791.100122.2
198T24.4Very low26.7Very low99 Ų99129.1 Ų129.161%0.60775%0.753SS**  cis-162.2131.8-6.7-106.50000113.7
199L27.8Very low26.3Very low141 Ų141132.8 Ų132.874%0.73876%0.762SS**  trans49.6138143.5-56.1178.6000127.4
200I25.9Very low26.4Very low152 Ų152132.2 Ų132.278%0.77976%0.762SS**  trans77.4149.2131.4-75.7169.1000121.2
201S28.4Very low26.7Very low83 Ų83133.4 Ų133.458%0.5876%0.757SS**  cis-174.7176.2-30.6-160.80000111.6
202D26.8Very low26.5Very low154 Ų154135.7 Ų135.782%0.82476%0.761SS**  trans69.9157157.7-46.7-26000118.8
203G25.1Very low27Very low71 Ų71137.8 Ų137.873%0.73276%0.762SS**  cis154.3160.3-5.100000111
204L28.6Very low27.8Very low142 Ų142138.1 Ų138.174%0.74376%0.755SS**  cis-172.4163.8-18.1-126.6176.4000110.3
205F25Very low27.7Very low180 Ų180139.9 Ų139.979%0.78976%0.759SS**  trans64.8169.8166.7-62.7-56.6000118.7
206S25.3Very low27.3Very low97 Ų97142.1 Ų142.168%0.67876%0.764SS**  cis-173.9143.9-33.2-172.90000113.9
207V24.3Very low27.5Very low122 Ų122139.3 Ų139.374%0.73977%0.766SS**  trans68.5144.2143.8159.40000125.1
208N24.3Very low28Very low151 Ų151140 Ų14081%0.80777%0.769SS**  trans101.9159.5151.7-95.29.3000124.5
209E28.7Very low28.4Very low175 Ų175141.4 Ų141.482%0.81878%0.777SS**  trans-97.7159.5-160.2-49.6171.5108.500115.1
210Q25.3Very low28.9Very low180 Ų180140.1 Ų140.184%0.84178%0.776SS**  trans-160.2147.1143.5-160.368.943.100109.5
211Q28.8Very low30Very low178 Ų178137.7 Ų137.783%0.83277%0.77SS**  trans-107.1135.9166.5-76.7-172-5.900110.6
212D21.8Very low31.2Very low156 Ų156137.8 Ų137.883%0.83476%0.764SS**  trans-164158.5151.9-97.8-39000109.8
213L36.1Very low32.5Very low164 Ų164135.5 Ų135.586%0.85976%0.757SS**  trans-145.7164178.9-95113.9000109.7
214P41.5Very low33.9Very low109 Ų109140.7 Ų140.771%0.70876%0.756SS**  cis-128.4161.3-239.1-25.2000114.4
215L23.9Very low35.4Very low174 Ų174138.1 Ų138.191%0.91175%0.746SS**  trans-159.4156.2147.9-116161.8000113.7
216L31.5Very low36.8Very low155 Ų155134 Ų13481%0.81273%0.731SS**  trans-57.3130.7-172.2-179.571.2000114.3
217A28.4Very low39Very low89 Ų89132.7 Ų132.774%0.73672%0.721SS**  trans-135.2112.5162.500000110.3V219A217-V219 PolarHBondContact O-N 3Å
218E35.6Very low41.2Very low167 Ų167131.7 Ų131.778%0.7871%0.711SS**  trans-79.699.5-177.1-175.7179166.800111T220E218-T220 PolarHBondContact O-N 3.47Å; E218-T220 VanDerWaalsContact O-N 3.14Å
219V33.8Very low43.5Very low129 Ų129130.4 Ų130.478%0.78270%0.7SS**  trans-77.4100.1172.9-1790000109.2A217 P221A217-V219 PolarHBondContact O-N 3Å; V219-P221 WeakPolarHBondContact O-CD 3.32Å
220T38.8Very low45.6Very low115 Ų115125.3 Ų125.371%0.70668%0.679SS**PPolyproline II helixtrans-54.2120.1174.145.30000111.4E218 D222E218-T220 PolarHBondContact O-N 3.47Å; E218-T220 VanDerWaalsContact O-N 3.14Å; T220-D222 PolarHBondContact O-N 3.17Å
221P49Very low48.5Very low101 Ų101122.2 Ų122.266%0.65667%0.667SS**PPolyproline II helixtrans-66.7131.1176-20.333000111.1V219 P223V219-P221 WeakPolarHBondContact O-CD 3.32Å; P221-P223 WeakPolarHBondContact O-CD 3.26Å
222D53Low51Low85 Ų85118.6 Ų118.646%0.45565%0.652SS.*PPolyproline II helixtrans-54.5120.5174.8169.120.6000110.4T220 Y224 V225 M226T220-D222 PolarHBondContact O-N 3.17Å; D222-Y224 PolarHBondContact O-N 3.04Å; D222-Y224 VanDerWaalsContact O-N 3.09Å; D222-Y224 WeakPolarHBondContact OD1-CB 3.24Å; D222-Y224 PolarHBondContact OD1-N 2.93Å; D222-Y224 WeakPolarHBondContact OD2-CB 3.38Å; D222-V225 HydrophobicContact CB-CB 4.46Å; D222-V225 HydrophobicContact CB-CG2 4.05Å; D222-V225 PolarHBondContact O-N 3.24Å; D222-V225 VanDerWaalsContact O-N 3.13Å; D222-V225 PolarHBondContact OD2-N 3.49Å; D222-M226 PolarHBondContact O-N 3.46Å
223P54.4Low54.1Low105 Ų105117.9 Ų117.968%0.68264%0.641SS**Hα-helixtrans-58.8-23.7178.924.4-34.9000112.7P221 S227P221-P223 WeakPolarHBondContact O-CD 3.26Å; P223-S227 VanDerWaalsContact O-CB 3.23Å; P223-S227 WeakPolarHBondContact O-CB 3.48Å; P223-S227 PolarHBondContact O-N 3.12Å
224Y53.3Low56.4Low180 Ų180116.6 Ų116.671%0.70663%0.629SS**Hα-helixtrans-74-36.9177.6-127.4-94.2000113.3D222 S227 L228D222-Y224 PolarHBondContact O-N 3.04Å; D222-Y224 VanDerWaalsContact O-N 3.09Å; D222-Y224 WeakPolarHBondContact OD1-CB 3.24Å; D222-Y224 PolarHBondContact OD1-N 2.93Å; D222-Y224 WeakPolarHBondContact OD2-CB 3.38Å; Y224-S227 PolarHBondContact O-N 3.45Å; Y224-L228 WeakPolarHBondContact O-CB 3.47Å; Y224-L228 PolarHBondContact O-N 3.14Å
225V60.1Low58.4Low89 Ų89113.5 Ų113.554%0.53961%0.609SS.*Hα-helixtrans-62.2-49.3174.4173.50000110.6D222 S227 L228 Q229D222-V225 HydrophobicContact CB-CB 4.46Å; D222-V225 HydrophobicContact CB-CG2 4.05Å; D222-V225 PolarHBondContact O-N 3.24Å; D222-V225 VanDerWaalsContact O-N 3.13Å; D222-V225 PolarHBondContact OD2-N 3.49Å; V225-S227 VanDerWaalsContact C-N 3.29Å; V225-S227 PolarHBondContact O-N 2.99Å; V225-L228 PolarHBondContact O-N 3.47Å; V225-Q229 WeakPolarHBondContact O-CB 3.49Å; V225-Q229 PolarHBondContact O-N 2.91Å
226M55.2Low61.3Low94 Ų94112.3 Ų112.346%0.46360%0.597SS.*Hα-helixtrans-64.2-35.8178.9-163.46265.300111.6D222 N230D222-M226 PolarHBondContact O-N 3.46Å; M226-N230 WeakPolarHBondContact O-CB 3.39Å; M226-N230 PolarHBondContact O-N 3.37Å; M226-N230 PolarHBondContact O-ND2 2.85Å
227S71.7Confident63.7Low68 Ų68108.2 Ų108.248%0.47657%0.574SS.*Hα-helixtrans-65-48.7173.6-175.20000112.3P223 Y224 V225 N230 L231P223-S227 VanDerWaalsContact O-CB 3.23Å; P223-S227 WeakPolarHBondContact O-CB 3.48Å; P223-S227 PolarHBondContact O-N 3.12Å; Y224-S227 PolarHBondContact O-N 3.45Å; V225-S227 VanDerWaalsContact C-N 3.29Å; V225-S227 PolarHBondContact O-N 2.99Å; S227-N230 PolarHBondContact O-N 3.46Å; S227-L231 WeakPolarHBondContact O-CB 3.46Å; S227-L231 PolarHBondContact O-N 3.09Å
228L70.9Confident66.2Low102 Ų102111.6 Ų111.653%0.53457%0.568SS.*Hα-helixtrans-65-41.2179.1-179.659.9000111.9Y224 V225 L231 M232Y224-L228 WeakPolarHBondContact O-CB 3.47Å; Y224-L228 PolarHBondContact O-N 3.14Å; V225-L228 PolarHBondContact O-N 3.47Å; L228-L231 PolarHBondContact O-N 2.82Å; L228-M232 HydrophobicContact CD1-CG 4.34Å; L228-M232 WeakPolarHBondContact O-CB 3.32Å; L228-M232 VanDerWaalsContact O-CG 3.24Å; L228-M232 WeakPolarHBondContact O-CG 3.39Å; L228-M232 PolarHBondContact O-N 2.72Å
229Q71.7Confident68.4Low124 Ų124108.1 Ų108.158%0.57955%0.554SS**Hα-helixtrans-64.1-41176.1-165.3-179.323.200111.2V225 M232 K233V225-Q229 WeakPolarHBondContact O-CB 3.49Å; V225-Q229 PolarHBondContact O-N 2.91Å; Q229-M232 PolarHBondContact O-N 2.98Å; Q229-K233 VanDerWaalsContact O-CB 3.28Å; Q229-K233 WeakPolarHBondContact O-CB 3.21Å; Q229-K233 PolarHBondContact O-N 3.15Å
230N73.3Confident70.7Confident68 Ų68108.1 Ų108.136%0.36455%0.545SS..Hα-helixtrans-68.5-34.7173.5-83.6-66.9000113.1M226 S227 K233 K234M226-N230 WeakPolarHBondContact O-CB 3.39Å; M226-N230 PolarHBondContact O-N 3.37Å; M226-N230 PolarHBondContact O-ND2 2.85Å; S227-N230 PolarHBondContact O-N 3.46Å; N230-K233 PolarHBondContact O-N 2.82Å; N230-K234 VanDerWaalsContact O-CB 3.29Å; N230-K234 WeakPolarHBondContact O-CB 3.47Å; N230-K234 VanDerWaalsContact O-CG 3.28Å; N230-K234 WeakPolarHBondContact O-CG 3.23Å; N230-K234 PolarHBondContact O-N 2.81Å
231L85.8Confident72.6Confident114 Ų114109.1 Ų109.160%0.59754%0.536SS*.Hα-helixtrans-67.8-43.3174.1-177.462000111.2S227 L228 K234 S235S227-L231 WeakPolarHBondContact O-CB 3.46Å; S227-L231 PolarHBondContact O-N 3.09Å; L228-L231 PolarHBondContact O-N 2.82Å; L231-K234 PolarHBondContact O-N 2.91Å; L231-S235 VanDerWaalsContact O-CB 3.31Å; L231-S235 WeakPolarHBondContact O-CB 3.32Å; L231-S235 PolarHBondContact O-N 2.79Å; L231-S235 PolarHBondContact O-OG 2.89Å
232M81.9Confident73.6Confident103 Ų103106.5 Ų106.551%0.50752%0.516SS..Hα-helixtrans-60.2-47.6172.5-72.5-97.175.700110.9L228 Q229 S235 K236L228-M232 HydrophobicContact CD1-CG 4.34Å; L228-M232 WeakPolarHBondContact O-CB 3.32Å; L228-M232 VanDerWaalsContact O-CG 3.24Å; L228-M232 WeakPolarHBondContact O-CG 3.39Å; L228-M232 PolarHBondContact O-N 2.72Å; Q229-M232 PolarHBondContact O-N 2.98Å; M232-S235 PolarHBondContact O-N 2.94Å; M232-S235 PolarHBondContact O-OG 3.05Å; M232-K236 PolarHBondContact O-N 3.01Å
233K86.3Confident74.2Confident140 Ų140108.3 Ų108.361%0.60952%0.521SS*.Hα-helixtrans-58.6-51.8176.3-172.2173.9-178.8177.30111.6Q229 N230 S235 K236 E237Q229-K233 VanDerWaalsContact O-CB 3.28Å; Q229-K233 WeakPolarHBondContact O-CB 3.21Å; Q229-K233 PolarHBondContact O-N 3.15Å; N230-K233 PolarHBondContact O-N 2.82Å; K233-S235 VanDerWaalsContact C-N 3.28Å; K233-S235 PolarHBondContact O-N 2.88Å; K233-K236 PolarHBondContact O-N 3.42Å; K233-E237 WeakPolarHBondContact O-CB 3.42Å; K233-E237 PolarHBondContact O-N 3.29Å
234K84.5Confident74.8Confident138 Ų138106.1 Ų106.160%0.651%0.509SS*.Hα-helixtrans-61.7-32.3176-74.3174.7178.2179.10112.8N230 L231 Y238N230-K234 VanDerWaalsContact O-CB 3.29Å; N230-K234 WeakPolarHBondContact O-CB 3.47Å; N230-K234 VanDerWaalsContact O-CG 3.28Å; N230-K234 WeakPolarHBondContact O-CG 3.23Å; N230-K234 PolarHBondContact O-N 2.81Å; L231-K234 PolarHBondContact O-N 2.91Å; K234-Y238 WeakPolarHBondContact O-CB 3.24Å; K234-Y238 PolarHBondContact O-N 2.81Å
235S83.5Confident75.5Confident43 Ų43105.4 Ų105.430%0.30150%0.504SS..Hα-helixtrans-70-4217676.90000112.3L231 M232 K233 Y238 I239L231-S235 VanDerWaalsContact O-CB 3.31Å; L231-S235 WeakPolarHBondContact O-CB 3.32Å; L231-S235 PolarHBondContact O-N 2.79Å; L231-S235 PolarHBondContact O-OG 2.89Å; M232-S235 PolarHBondContact O-N 2.94Å; M232-S235 PolarHBondContact O-OG 3.05Å; K233-S235 VanDerWaalsContact C-N 3.28Å; K233-S235 PolarHBondContact O-N 2.88Å; S235-Y238 PolarHBondContact O-N 3.34Å; S235-I239 VanDerWaalsContact O-CG1 3.28Å; S235-I239 WeakPolarHBondContact O-CG1 3.28Å; S235-I239 PolarHBondContact O-N 3.41Å
236K84.9Confident75.5Confident149 Ų149108.8 Ų108.865%0.64851%0.507SS*.Hα-helixtrans-62.5-49.7172.3-69.3-178.4178.2-174.70110.9M232 K233 Y238 I239 E240M232-K236 PolarHBondContact O-N 3.01Å; K233-K236 PolarHBondContact O-N 3.42Å; K236-Y238 VanDerWaalsContact C-N 3.25Å; K236-Y238 PolarHBondContact O-N 3.42Å; K236-I239 PolarHBondContact O-N 3.39Å; K236-I239 VanDerWaalsContact O-N 3.11Å; K236-E240 WeakPolarHBondContact O-CB 3.41Å; K236-E240 PolarHBondContact O-N 3.48Å
237E81.9Confident75.4Confident70 Ų70108.1 Ų108.133%0.32751%0.512SS..Hα-helixtrans-62.1-29.6178.2-155.3-163.1143.800112.8K233 R241K233-E237 WeakPolarHBondContact O-CB 3.42Å; K233-E237 PolarHBondContact O-N 3.29Å; E237-R241 VanDerWaalsContact CD-NH1 3.3Å; E237-R241 WeakPolarHBondContact O-CB 3.35Å; E237-R241 WeakPolarHBondContact O-CG 3.29Å; E237-R241 PolarHBondContact O-N 2.86Å; E237-R241 IonicContact OE1-CZ 3.09Å; E237-R241 IonicContact OE1-NH1 2.78Å; E237-R241 PolarHBondContact OE1-NH1 3.41Å; E237-R241 IonicContact OE1-NH2 2.69Å; E237-R241 PolarHBondContact OE1-NH2 3.28Å
238Y80.4Confident74.5Confident160 Ų160111 Ų11163%0.62752%0.522SS*.Hα-helixtrans-74.9-42.5172.5-179.2-93.3000112.3K234 S235 K236 E240 R241 E242K234-Y238 WeakPolarHBondContact O-CB 3.24Å; K234-Y238 PolarHBondContact O-N 2.81Å; S235-Y238 PolarHBondContact O-N 3.34Å; K236-Y238 VanDerWaalsContact C-N 3.25Å; K236-Y238 PolarHBondContact O-N 3.42Å; Y238-E240 VanDerWaalsContact C-N 3.34Å; Y238-R241 PolarHBondContact O-N 2.89Å; Y238-E242 HydrophobicContact CE1-CG 4.19Å; Y238-E242 WeakPolarHBondContact O-CB 3.25Å; Y238-E242 PolarHBondContact O-N 2.84Å
239I82Confident73.5Confident93 Ų93113.5 Ų113.548%0.47753%0.528SS..Hα-helixtrans-62.2-43.8174.6-70.6164.3000110.1S235 K236 E242 Q243S235-I239 VanDerWaalsContact O-CG1 3.28Å; S235-I239 WeakPolarHBondContact O-CG1 3.28Å; S235-I239 PolarHBondContact O-N 3.41Å; K236-I239 PolarHBondContact O-N 3.39Å; K236-I239 VanDerWaalsContact O-N 3.11Å; I239-E242 CarbonylContact O-C 3.53Å; I239-E242 PolarHBondContact O-N 2.81Å; I239-Q243 HydrophobicContact CG2-CG 4.45Å; I239-Q243 WeakPolarHBondContact O-CB 3.49Å; I239-Q243 WeakPolarHBondContact O-CG 3.39Å; I239-Q243 PolarHBondContact O-N 3.43Å
240E81.8Confident72.2Confident129 Ų129109.2 Ų109.260%0.60352%0.517SS*.Hα-helixtrans-64-43.9176.3-174.1-179-176.400112.3K236 Y238 E242 Q243 S244K236-E240 WeakPolarHBondContact O-CB 3.41Å; K236-E240 PolarHBondContact O-N 3.48Å; Y238-E240 VanDerWaalsContact C-N 3.34Å; E240-E242 VanDerWaalsContact C-N 3.34Å; E240-E242 PolarHBondContact O-N 3.37Å; E240-Q243 PolarHBondContact O-N 3.49Å; E240-S244 WeakPolarHBondContact O-CB 3.29Å; E240-S244 PolarHBondContact O-N 3.41Å; E240-S244 PolarHBondContact O-OG 3.39Å
241R78.1Confident70.7Confident136 Ų136109.1 Ų109.151%0.51352%0.522SS..Hα-helixtrans-61.8-39.9170.5-81.8-161.9-169.282.20.7112.3E237 Y238 S244 R245E237-R241 VanDerWaalsContact CD-NH1 3.3Å; E237-R241 WeakPolarHBondContact O-CB 3.35Å; E237-R241 WeakPolarHBondContact O-CG 3.29Å; E237-R241 PolarHBondContact O-N 2.86Å; E237-R241 IonicContact OE1-CZ 3.09Å; E237-R241 IonicContact OE1-NH1 2.78Å; E237-R241 PolarHBondContact OE1-NH1 3.41Å; E237-R241 IonicContact OE1-NH2 2.69Å; E237-R241 PolarHBondContact OE1-NH2 3.28Å; Y238-R241 PolarHBondContact O-N 2.89Å; R241-S244 WeakPolarHBondContact CA-OG 3.4Å; R241-S244 PolarHBondContact O-OG 2.85Å; R241-S244 VanDerWaalsContact O-OG 3.04Å; R241-R245 VanDerWaalsContact O-CB 3.25Å; R241-R245 WeakPolarHBondContact O-CB 3.37Å; R241-R245 WeakPolarHBondContact O-CD 3.41Å; R241-R245 WeakPolarHBondContact O-CG 3.4Å; R241-R245 PolarHBondContact O-N 2.82Å
242E71.2Confident68.4Low47 Ų47110.4 Ų110.422%0.2253%0.526CS..Hα-helixtrans-70.4-35.5176.4-93.2-67113.200112.7Y238 I239 E240 R245 R246Y238-E242 HydrophobicContact CE1-CG 4.19Å; Y238-E242 WeakPolarHBondContact O-CB 3.25Å; Y238-E242 PolarHBondContact O-N 2.84Å; I239-E242 CarbonylContact O-C 3.53Å; I239-E242 PolarHBondContact O-N 2.81Å; E240-E242 VanDerWaalsContact C-N 3.34Å; E240-E242 PolarHBondContact O-N 3.37Å; E242-R245 IonicContact OE1-NE 2.71Å; E242-R245 PolarHBondContact OE1-NE 3.42Å; E242-R246 VanDerWaalsContact O-CB 3.31Å; E242-R246 WeakPolarHBondContact O-CB 3.38Å; E242-R246 WeakPolarHBondContact O-CD 3.48Å; E242-R246 WeakPolarHBondContact O-CG 3.43Å; E242-R246 PolarHBondContact O-N 2.84Å; E242-R246 PolarHBondContact O-NE 3.21Å; E242-R246 IonicContact OE2-CZ 2.77Å; E242-R246 VanDerWaalsContact OE2-CZ 3.26Å; E242-R246 IonicContact OE2-NE 2.73Å; E242-R246 PolarHBondContact OE2-NE 2.9Å; E242-R246 IonicContact OE2-NH2 3.13Å; E242-R246 PolarHBondContact OE2-NH2 2.79Å
243Q65.9Low66.6Low122 Ų122111.8 Ų111.857%0.5753%0.533SS*.Hα-helixtrans-65.8-45.7173.7-75.8-178-3.200111.7I239 E240 R246 S247I239-Q243 HydrophobicContact CG2-CG 4.45Å; I239-Q243 WeakPolarHBondContact O-CB 3.49Å; I239-Q243 WeakPolarHBondContact O-CG 3.39Å; I239-Q243 PolarHBondContact O-N 3.43Å; E240-Q243 PolarHBondContact O-N 3.49Å; Q243-R246 CarbonylContact O-C 3.57Å; Q243-R246 PolarHBondContact O-N 3.29Å; Q243-R246 VanDerWaalsContact O-N 3.14Å; Q243-S247 PolarHBondContact O-N 2.85Å
244S66.7Low64.3Low60 Ų60114.1 Ų114.142%0.4254%0.538SS..Hα-helixtrans-66.4-35.8175.552.10000113E240 R241 R246 S247 L248E240-S244 WeakPolarHBondContact O-CB 3.29Å; E240-S244 PolarHBondContact O-N 3.41Å; E240-S244 PolarHBondContact O-OG 3.39Å; R241-S244 WeakPolarHBondContact CA-OG 3.4Å; R241-S244 PolarHBondContact O-OG 2.85Å; R241-S244 VanDerWaalsContact O-OG 3.04Å; S244-R246 VanDerWaalsContact C-N 3.31Å; S244-R246 PolarHBondContact O-N 3.2Å; S244-S247 WeakPolarHBondContact CA-OG 3.48Å; S244-S247 PolarHBondContact O-N 3.19Å; S244-S247 PolarHBondContact O-OG 3.47Å; S244-L248 WeakPolarHBondContact O-CB 3.35Å; S244-L248 PolarHBondContact O-N 3.25Å
245R68Low62.2Low164 Ų164114.4 Ų114.462%0.61955%0.545SS*.Hα-helixtrans-66.1-32.5170.8-70.1159.374.881.2-2.7112.2R241 E242 K249R241-R245 VanDerWaalsContact O-CB 3.25Å; R241-R245 WeakPolarHBondContact O-CB 3.37Å; R241-R245 WeakPolarHBondContact O-CD 3.41Å; R241-R245 WeakPolarHBondContact O-CG 3.4Å; R241-R245 PolarHBondContact O-N 2.82Å; E242-R245 IonicContact OE1-NE 2.71Å; E242-R245 PolarHBondContact OE1-NE 3.42Å; R245-K249 WeakPolarHBondContact O-CB 3.48Å; R245-K249 PolarHBondContact O-N 3.45Å
246R60.6Low60.1Low160 Ų160117.9 Ų117.960%0.60456%0.564SS**Hα-helixtrans-77.1-37.2175.5-71161.8-161.8-169.86.2112.4E242 Q243 S244 K249 G250E242-R246 VanDerWaalsContact O-CB 3.31Å; E242-R246 WeakPolarHBondContact O-CB 3.38Å; E242-R246 WeakPolarHBondContact O-CD 3.48Å; E242-R246 WeakPolarHBondContact O-CG 3.43Å; E242-R246 PolarHBondContact O-N 2.84Å; E242-R246 PolarHBondContact O-NE 3.21Å; E242-R246 IonicContact OE2-CZ 2.77Å; E242-R246 VanDerWaalsContact OE2-CZ 3.26Å; E242-R246 IonicContact OE2-NE 2.73Å; E242-R246 PolarHBondContact OE2-NE 2.9Å; E242-R246 IonicContact OE2-NH2 3.13Å; E242-R246 PolarHBondContact OE2-NH2 2.79Å; Q243-R246 CarbonylContact O-C 3.57Å; Q243-R246 PolarHBondContact O-N 3.29Å; Q243-R246 VanDerWaalsContact O-N 3.14Å; S244-R246 VanDerWaalsContact C-N 3.31Å; S244-R246 PolarHBondContact O-N 3.2Å; R246-K249 PolarHBondContact O-N 3.26Å; R246-G250 PolarHBondContact O-N 3.2Å
247S52.1Low57.8Low80 Ų80117.6 Ų117.656%0.55957%0.569SS**Hα-helixtrans-68.1-43.1175.367.40000111.5Q243 S244 K249 G250 S251Q243-S247 PolarHBondContact O-N 2.85Å; S244-S247 WeakPolarHBondContact CA-OG 3.48Å; S244-S247 PolarHBondContact O-N 3.19Å; S244-S247 PolarHBondContact O-OG 3.47Å; S247-K249 VanDerWaalsContact C-N 3.31Å; S247-K249 PolarHBondContact O-N 3.42Å; S247-G250 CarbonylContact O-C 3.57Å; S247-G250 PolarHBondContact O-N 2.99Å; S247-G250 VanDerWaalsContact O-N 3.1Å; S247-S251 PolarHBondContact O-N 2.98Å
248L52.5Low55.4Low130 Ų130122.1 Ų122.168%0.68159%0.591SS**Hα-helixtrans-60.1-40.4173.9-16967.8000111.8S244 S251 M252S244-L248 WeakPolarHBondContact O-CB 3.35Å; S244-L248 PolarHBondContact O-N 3.25Å; L248-S251 PolarHBondContact O-N 3.33Å; L248-M252 PolarHBondContact O-N 2.95Å
249K50.3Low53Low154 Ų154119.9 Ų119.967%0.6760%0.598SS**Hα-helixtrans-71-32.4174.3-166.7172.4-177.4-179.70113R245 R246 S247 S251 M253R245-K249 WeakPolarHBondContact O-CB 3.48Å; R245-K249 PolarHBondContact O-N 3.45Å; R246-K249 PolarHBondContact O-N 3.26Å; S247-K249 VanDerWaalsContact C-N 3.31Å; S247-K249 PolarHBondContact O-N 3.42Å; K249-S251 VanDerWaalsContact C-N 3.34Å; K249-M253 VanDerWaalsContact O-CG 3.31Å; K249-M253 WeakPolarHBondContact O-CG 3.24Å; K249-M253 PolarHBondContact O-N 3.4Å
250G44.1Very low50.5Low33 Ų33124.4 Ų124.434%0.3462%0.617SS.*Hα-helixtrans-75.1-19.1174.200000114.3R246 S247R246-G250 PolarHBondContact O-N 3.2Å; S247-G250 CarbonylContact O-C 3.57Å; S247-G250 PolarHBondContact O-N 2.99Å; S247-G250 VanDerWaalsContact O-N 3.1Å
251S42.3Very low48Very low66 Ų66126.1 Ų126.146%0.46263%0.629SS.*Hα-helixtrans-75.4-52.5167.8175.10000110.5S247 L248 K249 M253 R254S247-S251 PolarHBondContact O-N 2.98Å; L248-S251 PolarHBondContact O-N 3.33Å; K249-S251 VanDerWaalsContact C-N 3.34Å; S251-M253 PolarHBondContact O-N 2.78Å; S251-M253 VanDerWaalsContact O-N 3.13Å; S251-R254 PolarHBondContact O-N 3.05Å
252M38Very low45.7Very low141 Ų141127.3 Ų127.370%0.69565%0.646SS**Hα-helixtrans-55-34.7179.6-169.474.676.800113.5L248L248-M252 PolarHBondContact O-N 2.95Å
253M43.8Very low44.2Very low132 Ų132135 Ų13565%0.6568%0.679SS**THydrogen-bonded Turntrans-81.8-6.4-179.3-65.3-65.2-63.500114.5K249 S251K249-M253 VanDerWaalsContact O-CG 3.31Å; K249-M253 WeakPolarHBondContact O-CG 3.24Å; K249-M253 PolarHBondContact O-N 3.4Å; S251-M253 PolarHBondContact O-N 2.78Å; S251-M253 VanDerWaalsContact O-N 3.13Å
254R38.3Very low42.6Very low190 Ų190137.2 Ų137.272%0.71769%0.689SS**THydrogen-bonded Turntrans-97.8-1.5-175.9-145.3-172.3-55.4174.13.4114.5S251S251-R254 PolarHBondContact O-N 3.05Å
255I38.9Very low41Very low144 Ų144141 Ų14174%0.73871%0.705SS**SBendtrans-104.7-4.5-176.9-64.1172.9000111.8
256V41.1Very low39.2Very low115 Ų115140.6 Ų140.670%0.69772%0.715SS**SBendtrans-108-19.1-170.4-177.40000113.8
257N35.3Very low37.8Very low143 Ų143136.8 Ų136.877%0.76572%0.718SS**SBendtrans-125.852.7-171.4-73.111.6000113
258E31.4Very low36.7Very low166 Ų166139.6 Ų139.678%0.77673%0.731SS**  trans-148.181.8174.7-169.1160.1-143.900112
259S30.1Very low35.7Very low113 Ų113142.4 Ų142.479%0.7974%0.738SS**  trans179.793.2159.7-83.40000110.7
260H31.2Very low34.6Very low188 Ų188141.9 Ų141.987%0.8775%0.747SS**  trans-166.6138150.3-97.3-53.6000111
261L28.1Very low33.9Very low164 Ų164144.6 Ų144.686%0.85977%0.766SS**  trans66.3106.6166.7-59.5165.8000117
262D29.2Very low33Very low162 Ų162149 Ų14987%0.86679%0.785SS**  -160.3134.9123-121.2-14.7000112.1
263K40.7Very low32.5Very low208 Ų208147.2 Ų147.290%0.90479%0.785SS**  trans141.5119.5155.3-81.3173.4-179-177.60113.8
264E32.1Very low31.6Very low169 Ų169146.4 Ų146.479%0.7979%0.787SS**  trans-143.3157.8169.8-175.7172.7-155.300107.9
265N33.6Very low31.1Very low139 Ų139146.5 Ų146.574%0.74379%0.793SS**  trans73.3145.5-174.6-41.2-77.4000114.2
266D29.7Very low30.5Very low155 Ų155146.4 Ų146.483%0.82979%0.789SS**  cis-143.1178.3-0.4-146-30.9000111.4
267A30.5Very low29.8Very low81 Ų81149.2 Ų149.267%0.66979%0.792SS**  trans-100.6164.8-16400000116.1
268V29.9Very low29.2Very low138 Ų138146.8 Ų146.884%0.83679%0.792SS**  164.2146.8128.6158.10000112.1
269K32.1Very low29Very low189 Ų189147.1 Ų147.182%0.82279%0.793SS**  trans-33.7150.9172.8-50.6171.8-175.3176.70114.5
270V26.5Very low28.9Very low144 Ų144148.3 Ų148.387%0.87379%0.79SS**  -150.7164.254.2164.80000110.8
271A28.6Very low28.7Very low90 Ų90145.9 Ų145.974%0.74479%0.789SS**  trans-92149.6-178.500000114
272D25Very low28.4Very low158 Ų158141.3 Ų141.385%0.84578%0.781SS**  -155.5172.6128.9-136.8-39.3000111.8
273C25.4Very low28.5Very low103 Ų103143.2 Ų143.270%0.69678%0.782SS**  trans-85.4156.9-17655.50000113.2
274V25.6Very low27.7Very low116 Ų116142.4 Ų142.470%0.70378%0.781SS**  -174.8160.580.91580000110.1
275K28.6Very low27.6Very low191 Ų191139.9 Ų139.983%0.8378%0.78SS**  trans-1.3146.3160.5-57.7166.1-175172.50118.3
276E24.8Very low27.2Very low143 Ų143139.7 Ų139.767%0.66878%0.784SS**  cis-163.7176.443.8-144.5-176.5170.200113.9
277K26.4Very low27Very low174 Ų174135.6 Ų135.676%0.75777%0.768SS**  trans3140.4161.8-65.9154.7-177.3156.90118.7
278A24.3Very low26.7Very low91 Ų91135.4 Ų135.475%0.75276%0.758SS**  cis-165.4159.235.800000116.1
279Q26.9Very low27Very low174 Ų174134.8 Ų134.881%0.81375%0.749SS**  trans-18.9159.8141.6-80.9168.6-44.400118.7
280L27Very low27.3Very low137 Ų137129 Ų12972%0.71773%0.731SS**  cis-157.716516.1-108.4147.3000108.6
281T26.7Very low27.2Very low138 Ų138127.8 Ų127.885%0.84772%0.719SS**  177.1160.978.934.80000111.1
282G22.9Very low27.7Very low68 Ų68131.2 Ų131.270%0.70172%0.717SS**  trans-152.7102.2171.600000115.3
283K30.3Very low28.4Very low202 Ų202129.3 Ų129.388%0.87871%0.713SS**  trans57.6121.7153.9-62.6178-179.9173.10121.3
284H24.3Very low28.5Very low191 Ų191129.1 Ų129.188%0.88471%0.713SS**  trans74.6143.8139.8-108.7-87.9000121.8
285C29.9Very low28.9Very low115 Ų115130.5 Ų130.578%0.77772%0.716SS**  trans-111.8166.4-179.8-44.70000113.3
286V26.5Very low28.8Very low135 Ų135129.3 Ų129.382%0.81872%0.719SS**  trans155.2121.3144.8157.40000108.3
287S24.7Very low29.6Very low70 Ų70131.6 Ų131.649%0.4973%0.726SS.*  -178.8143.584.9-121.50000109.5
288V24.8Very low30Very low77 Ų77128.3 Ų128.347%0.46773%0.725SS.*  92.7106.668.9177.60000116.8L590V288-L590 HydrophobicContact CB-CD1 4Å; V288-L590 HydrophobicContact CG1-CD1 3.74Å
289I35.7Very low30.2Very low125 Ų125131 Ų13164%0.64173%0.727SS**  trans37.2123.6134.1-53.9170.1000119.8
290P38.1Very low30.4Very low68 Ų68128.9 Ų128.944%0.44273%0.726SS.*  -137.8-174.289.315.29.5000114.3
291D23.6Very low30.4Very low118 Ų118128.6 Ų128.663%0.63172%0.724SS**  cis-149.8-89-45.8-165.2-126.2000115.2
292K38.9Very low30.5Very low162 Ų162130.2 Ų130.270%0.70473%0.727SS**  trans-155.5164.4-168.4-53172.2-167.365.60113.1
293P39.7Very low30.8Very low118 Ų118135.1 Ų135.177%0.76673%0.731SS**  -154.3163.579.941.9-22000119.8
294S28.6Very low30.7Very low98 Ų98129 Ų12969%0.68573%0.725SS**  trans57.6123.3143.1630000125.1
295L33.2Very low31Very low145 Ų145124.4 Ų124.476%0.75972%0.72SS**  trans52.4122.8132.8-70.9164.8000121.9
296N27.1Very low31.1Very low167 Ų167124.2 Ų124.289%0.89372%0.721SS**  -163.4172.8110.7-104.4-42.9000113.2
297K41.4Very low31.2Very low190 Ų190123.3 Ų123.383%0.82672%0.715SS**  trans-130.1131.3-174.3-57.3174.5-177.1174.40113
298S34.1Very low31.4Very low105 Ų105128.8 Ų128.873%0.73473%0.733SS**  trans-176.2124.7159.736.10000108.7
299N30.1Very low31.4Very low149 Ų149129.6 Ų129.680%0.79775%0.748SS**  80.4121.389-66.2-8.7000113
300V31Very low30.8Very low129 Ų129129 Ų12978%0.78276%0.755SS**  61.9123.690.4177.60000110.7
301L26.4Very low30.2Very low130 Ų130130.5 Ų130.568%0.68177%0.767SS**  cis-161.4160.447.2-171.163.8000111.9
302L28.4Very low30.5Very low173 Ų173132.7 Ų132.791%0.90678%0.776SS**  -162152.3127.9-108.9175.1000110.7
303Q29.5Very low29.9Very low171 Ų171129.8 Ų129.880%0.79978%0.776SS**  trans-153.5143.7-162.7-177.7175.82.100112.9
304G29.2Very low29.3Very low73 Ų73132.2 Ų132.275%0.75378%0.779SS**  trans135.4140.8168.200000113.7
305A30.1Very low30.3Very low94 Ų94132.6 Ų132.678%0.77778%0.779SS**  cis-162.1154.4-8.600000113.1
306S32Very low29.9Very low112 Ų112131.7 Ų131.778%0.78378%0.779SS**  trans67.1152.4149.5-78.20000121.6
307T29.5Very low29.8Very low115 Ų115131.3 Ų131.371%0.70678%0.776SS**  cis-149.9145.87.9-2.70000114.5
308Q27.2Very low28.9Very low186 Ų186126.8 Ų126.887%0.86978%0.775SS**  trans71.1155.6149.9-71-172.88.400123.3
309A24.9Very low28.5Very low94 Ų94125.4 Ų125.478%0.77777%0.765SS**  trans59.9116.7178.600000116
310S24.2Very low28.4Very low112 Ų112127.7 Ų127.778%0.78377%0.768SS**  cis61129.225.2149.80000114.6
311S25.5Very low28.3Very low100 Ų100126.7 Ų126.770%0.69977%0.767SS**  cis-168.6-165.1-11.354.60000107.8
312M28.7Very low28.6Very low164 Ų164127.6 Ų127.681%0.80877%0.765SS**  cis-165-179.28.6-134.6-36.6171.300110.5
313S26.5Very low28.8Very low101 Ų101124.9 Ų124.971%0.70676%0.755SS**  trans81.9166.4154.882.50000122.5
314M27.4Very low28.6Very low168 Ų168121 Ų12183%0.82874%0.741SS**  trans-160168.9-172-79.7-79.3105.400106.3
315P50.7Low28.8Very low107 Ų107124.2 Ų124.270%0.69574%0.739SS**  cis-137.6-158.2-25.434.9-12000112.8
316V24.1Very low29.3Very low126 Ų126125.2 Ų125.276%0.76474%0.737SS**  trans84.9128.2150.1166.70000122.2
317L25.6Very low29.1Very low158 Ų158126.7 Ų126.783%0.82774%0.741SS**  trans37.3144154.9-93.873.3000126
318A22.4Very low28.9Very low96 Ų96132 Ų13279%0.79375%0.748SS**  trans69.8161.8142.700000119.4
319S24.9Very low29Very low76 Ų76128.8 Ų128.853%0.53174%0.742SS.*  cis-171.2157.9-31.2-178.80000109.1
320F28.9Very low29.1Very low196 Ų196127 Ų12786%0.8673%0.733SS**  trans67.4159.4173.4-41.9-67.5000115.1
321S28.8Very low29.2Very low108 Ų108131 Ų13176%0.75574%0.739SS**  cis-170-174.6-25.958.50000106.8
322K33Very low29Very low149 Ų149131.3 Ų131.365%0.64874%0.741SS**  cis-157.4-179.62-160.5-145.1151.1-142.50107.8D324K322-D324 WeakPolarHBondContact CE-OD1 3.39Å; K322-D324 VanDerWaalsContact NZ-CG 3.32Å; K322-D324 IonicContact NZ-OD1 3.13Å; K322-D324 PolarHBondContact NZ-OD1 3.27Å; K322-D324 IonicContact NZ-OD2 2.68Å; K322-D324 PolarHBondContact NZ-OD2 3.01Å
323V32.4Very low28.8Very low116 Ų116128.2 Ų128.270%0.70374%0.741SS**  trans83.5110.8162.8-176.10000116.8
324D23.9Very low28.8Very low91 Ų91129.6 Ų129.649%0.48775%0.745SS.*  cis-162.9157.9-18.8-106-8.2000107.4K322K322-D324 WeakPolarHBondContact CE-OD1 3.39Å; K322-D324 VanDerWaalsContact NZ-CG 3.32Å; K322-D324 IonicContact NZ-OD1 3.13Å; K322-D324 PolarHBondContact NZ-OD1 3.27Å; K322-D324 IonicContact NZ-OD2 2.68Å; K322-D324 PolarHBondContact NZ-OD2 3.01Å
325I35Very low28.8Very low140 Ų140128.3 Ų128.372%0.71874%0.741SS**  42.6126.784-62.2174.9000111.9
326P39.9Very low27.6Very low115 Ų115130.7 Ų130.775%0.74774%0.743SS**  cis-77-163.914.6-17.535.9000116
327V27.6Very low27.8Very low143 Ų143129.1 Ų129.187%0.86774%0.737SS**  cis-142.5158.328.1-144.20000114.5
328R25.9Very low27.8Very low225 Ų225128.7 Ų128.785%0.84974%0.736SS**  trans-71.8154.9165.1-110-179.4171.9143.1-4.6111.6
329T29.3Very low28.2Very low119 Ų119128.6 Ų128.673%0.7373%0.729SS**  cis-153.5151.3-3.2-21.50000105.4
330G27.2Very low28.4Very low57 Ų57131.6 Ų131.659%0.58874%0.739SS**  66.3136.958.900000112.5
331H25Very low28.4Very low196 Ų196130.1 Ų130.191%0.90773%0.733SS**  cis-162.6-169.5-3.9-122.7-76000110.1
332S22.2Very low28.5Very low107 Ų107133.7 Ų133.775%0.74874%0.735SS**  trans-92.6157.2-178.1-53.80000115.6
333A23.6Very low28.3Very low98 Ų98133 Ų13381%0.8174%0.743SS**  trans77.1176.3148.300000120
334V26.3Very low28.1Very low130 Ų130134.8 Ų134.879%0.78875%0.747SS**  trans98.193.2169.4-171.40000117.8
335L27.7Very low28.7Very low142 Ų142135.8 Ų135.874%0.74376%0.758SS**  75.4138.1122.8-14677.1000123.5
336E26Very low28.3Very low157 Ų157133.8 Ų133.873%0.73475%0.753SS**  trans63.9117.3147.2-87.4171.4-140.100125.1
337S27.9Very low27.7Very low93 Ų93137.3 Ų137.365%0.6576%0.756SS**  70137.6116-63.80000125.3
338N26.2Very low27.8Very low148 Ų148137 Ų13779%0.79175%0.754SS**  trans90.3137.8144.6-64.4-19.9000122.4
339S30Very low27.9Very low94 Ų94131.3 Ų131.366%0.65775%0.745SS**  trans60.2110.3143.661.40000121.8
340D28.9Very low28Very low139 Ų139133.3 Ų133.374%0.74375%0.746SS**  78.1129.7115.5-66.9-39.4000124.4
341F30.2Very low28.1Very low165 Ų165137.1 Ų137.172%0.72475%0.753SS**  trans60.3105.2142.5-82.6-94.8000122.9
342K29.5Very low28.4Very low183 Ų183134.6 Ų134.680%0.79675%0.746SS**  trans73.8161133.8-79.8-173.8178.3179.80121.4
343V30.6Very low28.8Very low135 Ų135134.8 Ų134.882%0.81874%0.743SS**  trans90.6136.2165-1670000116.4
344I27.7Very low29.2Very low153 Ų153136.1 Ų136.179%0.78574%0.735SS**  trans-121.2129.6179.8-68162.9000106.8
345P35.5Very low29.5Very low113 Ų113138.9 Ų138.973%0.73474%0.736SS**  -146.5129.7113.232.6-15000113.9
346T27.1Very low29.4Very low97 Ų97136.3 Ų136.360%0.59573%0.73SS**  112.4130.456-320000111.1
347F28.1Very low29.7Very low189 Ų189136.4 Ų136.483%0.82974%0.735SS**  trans79.5154.1161.1-60.7-55.2000122.8
348V28.4Very low29.8Very low136 Ų136138 Ų13882%0.82474%0.741SS**  trans76136166.7-169.10000116.7
349T29Very low29.9Very low106 Ų106134.5 Ų134.565%0.6574%0.74SS**  cis-167.9165.6-29.4-88.80000107.3
350E30.3Very low29.9Very low161 Ų161135.9 Ų135.975%0.75275%0.749SS**  trans70.998.6162.6-87.9158.6-123.500121
351N30.8Very low29.9Very low138 Ų138140.1 Ų140.174%0.73876%0.756SS**  56.3127.2111-66.5-23.8000122.7
352N31.4Very low30.1Very low143 Ų143136.4 Ų136.477%0.76576%0.756SS**  trans93.2115.4134.6-74.2-25.9000122.8
353V29.7Very low30.4Very low111 Ų111137.7 Ų137.767%0.67376%0.762SS**  99.194120.1167.90000120.8
354I32.8Very low30.9Very low125 Ų125139.2 Ų139.264%0.64176%0.764SS**  78.6135.8126.5-65.7-177.1000121
355K30.9Very low31.5Very low189 Ų189137.4 Ų137.482%0.82276%0.763SS**  trans70.6154.5164.9-73.7153.7-155.7153.90116.4
356S27.5Very low31.2Very low87 Ų87137 Ų13761%0.60876%0.763SS**  cis-177.8165.5-20.456.20000110.5
357L30.7Very low32Very low160 Ų160138 Ų13884%0.83877%0.771SS**  trans71.7160.8167.1-52.4165.6000115.1
358T30.9Very low32.4Very low127 Ų127138.1 Ų138.178%0.77977%0.774SS**  cis-167.6142.2-28.6-89.60000109.3
359G28.3Very low32.7Very low74 Ų74137.1 Ų137.176%0.76377%0.77SS**  trans110.7158.2164.900000114.7
360S29.2Very low32.7Very low123 Ų123137.5 Ų137.586%0.8678%0.777SS**  cis-141.9169.52.8-161.70000112.8
361Y29.7Very low33Very low227 Ų227138.1 Ų138.189%0.8978%0.782SS**  trans-79.5146.2-179.1-85.2-119.8000112.5
362A33.3Very low33.2Very low87 Ų87136.4 Ų136.472%0.71978%0.781SS**  152.1117.5105.500000114.4
363K36.4Very low33.6Very low211 Ų211135.6 Ų135.692%0.91778%0.784SS**  trans-172.4124.3138.5-103.1157.7-174.2177.80109.7
364L41.1Very low33.9Very low166 Ų166140 Ų14087%0.86979%0.794SS**  trans-134.3148.5174.3-68.2175000107.5
365P41.2Very low33.7Very low115 Ų115142.3 Ų142.375%0.74780%0.804SS**  -141.9126.792.632.5-14.9000113.1
366S29.4Very low33.8Very low105 Ų105142.1 Ų142.173%0.73481%0.805SS**  83.2163.188.987.10000114.6
367P42.9Very low34.2Very low118 Ų118149.9 Ų149.977%0.76682%0.821SS**  cis-125.8148.5-47.835.2-21000113.2
368E35.7Very low34.4Very low192 Ų192153.2 Ų153.290%0.89782%0.823SS**  trans-78.9149175.8-68.2-171.6142.100113.9
369P34.8Very low34.5Very low114 Ų114158.1 Ų158.174%0.7483%0.827SS**  trans-75.3130.2179.230.3-34.7000112.8M371P369-M371 PolarHBondContact O-N 3.18Å
370S30.3Very low34.6Very low115 Ų115160.1 Ų160.180%0.80483%0.829SS**  trans-75.3109.8-175.450.70000113.7
371M35.3Very low34.8Very low173 Ų173165.3 Ų165.385%0.85283%0.83SS**PPolyproline II helixtrans-78.7133.4166.4-76.2-64105.900111.6P369P369-M371 PolarHBondContact O-N 3.18Å
372S35.8Very low35Very low102 Ų102160.3 Ų160.371%0.71382%0.823SS**PPolyproline II helixtrans-80.3152.5-165.352.30000114K374S372-K374 PolarHBondContact O-N 3.41Å
373P39.2Very low34.9Very low127 Ų127161.4 Ų161.483%0.82583%0.826SS**PPolyproline II helixtrans-62.6126-178.2-23.934.5000113M375P373-M375 PolarHBondContact O-N 3Å
374K36.2Very low35.1Very low204 Ų204156.3 Ų156.389%0.88782%0.817SS**PPolyproline II helixtrans-55.5124.3174.3-74.1177.4177.6172.10110.6S372 H376S372-K374 PolarHBondContact O-N 3.41Å; K374-H376 PolarHBondContact O-N 2.69Å
375M29.2Very low34.9Very low173 Ų173152.2 Ų152.285%0.85281%0.807SS**PPolyproline II helixtrans-58.9136178.8-74.2-176.866.800111.9P373 R377P373-M375 PolarHBondContact O-N 3Å; M375-R377 PolarHBondContact O-N 3.32Å
376H33.7Very low34.7Very low184 Ų184152.7 Ų152.785%0.85281%0.811SS**  trans-59111.5163.5-92.655000109.8K374 R378K374-H376 PolarHBondContact O-N 2.69Å; H376-R378 PolarHBondContact O-N 2.79Å
377R35.7Very low34.9Very low250 Ų250155.2 Ų155.294%0.94381%0.811SS**  trans-62.9105.9174.1-157.6179.2-164.1-165.45.8108.1M375 R379M375-R377 PolarHBondContact O-N 3.32Å; R377-R379 PolarHBondContact O-N 2.73Å
378R33.6Very low34.9Very low231 Ų231157 Ų15787%0.87281%0.813SS**PPolyproline II helixtrans-56.7135.3-176.4-69.6-176.1175-168.5-0.5109.7H376 S380H376-R378 PolarHBondContact O-N 2.79Å; R378-S380 PolarHBondContact O-N 2.71Å
379R34.3Very low35Very low230 Ų230155.7 Ų155.787%0.86881%0.811SS**PPolyproline II helixtrans-51.9124.6169.1-75.4179.6174.5-103.84.3109.1R377 R381R377-R379 PolarHBondContact O-N 2.73Å; R379-R381 PolarHBondContact O-N 2.84Å
380S29.2Very low35.5Very low115 Ų115156.7 Ų156.780%0.80481%0.809SS**PPolyproline II helixtrans-58127.1154.6380000107.8R378R378-S380 PolarHBondContact O-N 2.71Å
381R34.6Very low35.7Very low232 Ų232158 Ų15888%0.87581%0.807SS**PPolyproline II helixtrans-69.8144.3170.5-78.9-173.1172-163-0.6108.6R379 S383R379-R381 PolarHBondContact O-N 2.84Å; R381-S383 PolarHBondContact O-N 2.86Å
382T33.2Very low35.8Very low123 Ų123156.7 Ų156.776%0.75580%0.803SS**  trans-69.9105.8168.846.90000109.4S384T382-S384 VanDerWaalsContact C-N 3.32Å; T382-S384 PolarHBondContact O-N 3.22Å
383S31Very low36.2Very low110 Ų110157.9 Ų157.977%0.76981%0.808SS**  trans-74.483173.6-61.10000110.8R381R381-S383 PolarHBondContact O-N 2.86Å
384S41.1Very low36.4Very low104 Ų104158.1 Ų158.173%0.72780%0.801SS**  trans-77.6139.216351.50000110.2T382T382-S384 VanDerWaalsContact C-N 3.32Å; T382-S384 PolarHBondContact O-N 3.22Å
385A37.4Very low36.6Very low79 Ų79153.9 Ų153.965%0.65379%0.788SS**  trans64.980.1-179.400000115.6H387A385-H387 PolarHBondContact O-N 2.82Å; A385-H387 VanDerWaalsContact O-N 3.11Å; A385-H387 PolarHBondContact O-ND1 3.38Å
386C35.5Very low37.4Very low125 Ų125149.7 Ų149.785%0.84578%0.781SS**  trans-66.7104.7162.3-63.30000109.7
387H33.4Very low37.7Very low159 Ų159146 Ų14674%0.73678%0.775SS**  trans-73.2156163.6-73.557.3000109.6A385 L389A385-H387 PolarHBondContact O-N 2.82Å; A385-H387 VanDerWaalsContact O-N 3.11Å; A385-H387 PolarHBondContact O-ND1 3.38Å; H387-L389 PolarHBondContact O-N 3.26Å; H387-L389 VanDerWaalsContact O-N 3.12Å
388I43.3Very low38.5Very low155 Ų155141.1 Ų141.180%0.79576%0.763SS**  trans-64113176.8-60.8173.1000109I390I388-I390 HydrophobicContact CG2-CD1 4.26Å; I388-I390 HydrophobicContact CG2-CG1 3.98Å
389L37.4Very low39Very low164 Ų164137.6 Ų137.686%0.85976%0.76SS**  trans-10589171.5-77.5172.1000109.5H387 N391H387-L389 PolarHBondContact O-N 3.26Å; H387-L389 VanDerWaalsContact O-N 3.12Å; L389-N391 PolarHBondContact O-N 3.12Å
390I45.8Very low39.1Very low136 Ų136130.3 Ų130.370%0.69775%0.745SS**  trans-80.6107.9159.8-63.7166.6000106.5I388I388-I390 HydrophobicContact CG2-CD1 4.26Å; I388-I390 HydrophobicContact CG2-CG1 3.98Å
391N35.3Very low40Very low142 Ų142131 Ų13176%0.75975%0.747SS**  trans-159.2129.3158.3-119.6-19.6000112.6L389L389-N391 PolarHBondContact O-N 3.12Å
392N37Very low40.2Very low146 Ų146128.9 Ų128.978%0.78174%0.744SS**  trans60130.1177.7-62.5-7000117.8
393P44.6Very low40.3Very low126 Ų126126.5 Ų126.582%0.81874%0.744SS**PPolyproline II helixtrans-80.4147.8175.433.7-34.4000112.1
394I42.4Very low40.6Very low133 Ų133131.5 Ų131.568%0.68275%0.752SS**PPolyproline II helixtrans-76.7139.5162.5-63.5172000107.8E398I394-E398 HydrophobicContact CG2-CB 4.19Å; I394-E398 HydrophobicContact CG2-CG 4.43Å; I394-E398 WeakPolarHBondContact CG2-OE2 3.46Å
395N41Very low40.2Very low114 Ų114135.7 Ų135.761%0.6176%0.76SS**PPolyproline II helixtrans-77.9144.7-175.2-161.52.7000111.4C397 E398N395-C397 PolarHBondContact O-N 2.67Å; N395-E398 PolarHBondContact O-N 2.77Å
396A45.4Very low40Very low85 Ų85140.6 Ų140.670%0.70277%0.769SS**G310 helixtrans-62.3-17.3-168.200000114.8E398A396-E398 VanDerWaalsContact C-N 3.26Å; A396-E398 PolarHBondContact O-N 2.67Å
397C40.3Very low39.6Very low107 Ų107139.2 Ų139.272%0.72377%0.766SS**G310 helixtrans-67-20.8179.1-55.30000114.2N395 L399N395-C397 PolarHBondContact O-N 2.67Å; C397-L399 VanDerWaalsContact C-N 3.3Å; C397-L399 PolarHBondContact O-N 3.29Å
398E51.8Low39.4Very low148 Ų148140.4 Ų140.469%0.69277%0.774SS**G310 helixtrans-80.8-3.7-175-67.7-179.8-155.400114.4I394 N395 A396I394-E398 HydrophobicContact CG2-CB 4.19Å; I394-E398 HydrophobicContact CG2-CG 4.43Å; I394-E398 WeakPolarHBondContact CG2-OE2 3.46Å; N395-E398 PolarHBondContact O-N 2.77Å; A396-E398 VanDerWaalsContact C-N 3.26Å; A396-E398 PolarHBondContact O-N 2.67Å
399L44.3Very low38.7Very low156 Ų156139.5 Ų139.582%0.81777%0.771SS**G310 helixtrans-112.519.3-176.5-63.4179.2000114.3C397C397-L399 VanDerWaalsContact C-N 3.3Å; C397-L399 PolarHBondContact O-N 3.29Å
400S36.5Very low38.6Very low78 Ų78138.5 Ų138.555%0.54577%0.766SS.*  trans-95120.8177.8-163.60000112.4K402S400-K402 PolarHBondContact O-N 3.18Å
401P48.8Very low37.8Very low130 Ų130139.9 Ų139.984%0.84477%0.773SS**  trans-80.685.2175.332.9-33.6000110.4
402K37.8Very low37.6Very low186 Ų186138.5 Ų138.581%0.80977%0.77SS**  trans-105.6141.5168.6-73.2-151169.3-166.90112.1S400S400-K402 PolarHBondContact O-N 3.18Å
403G37.3Very low37.2Very low73 Ų73140.8 Ų140.875%0.75378%0.776SS**  trans-67.5162.2-177.400000113E405G403-E405 PolarHBondContact O-N 3.06Å
404K37.2Very low36.5Very low216 Ų216141.4 Ų141.494%0.93977%0.772SS**  trans-78.486175-66.1-177.9-179.5-179.80110.4
405E32.3Very low36Very low191 Ų191141.9 Ų141.989%0.89378%0.781SS**  trans-98.8108.6164.4-168.3157.1-132.200108G403G403-E405 PolarHBondContact O-N 3.06Å
406Q31.9Very low35.5Very low183 Ų183143.5 Ų143.586%0.85579%0.79SS**  trans-105.178.5-168.5-171.6173.1-0.600110.5M408Q406-M408 PolarHBondContact O-N 3.1Å
407A28.3Very low34.9Very low95 Ų95146.3 Ų146.379%0.78579%0.789SS**  trans-69.4119.8171.600000110.8
408M29.9Very low34.5Very low184 Ų184148.7 Ų148.791%0.90679%0.787SS**  trans-94.7147.6152.8-94.4-71.7-175.200107.6Q406Q406-M408 PolarHBondContact O-N 3.1Å
409D28.4Very low33.6Very low136 Ų136147.3 Ų147.373%0.72779%0.789SS**  trans-120.8140.5-160.3-158.37.1000112.7
410L34.5Very low32.9Very low143 Ų143147.3 Ų147.375%0.74979%0.789SS**  trans66.7145.4175.5-45179.7000115.3
411I28.8Very low32.6Very low165 Ų165149.9 Ų149.985%0.84680%0.802SS**  cis-139.6157.740.8-75.3171.5000113.4
412V30.5Very low32.2Very low113 Ų113149 Ų14969%0.68580%0.796SS**  trans-60.9145.6-178.4176.80000115.9
413Q30Very low31.5Very low194 Ų194148.3 Ų148.391%0.90780%0.796SS**  trans-149.5146.4138.1-125174.28.800111.4
414D28.3Very low31.1Very low139 Ų139151.5 Ų151.574%0.74379%0.794SS**  trans-83.5155.1-171-54.9-79.1000114.7
415T32.9Very low31Very low143 Ų143147.6 Ų147.688%0.87778%0.783SS**  -172.9157.3123.615.30000112.2
416D29.7Very low30.9Very low149 Ų149144.4 Ų144.480%0.79778%0.778SS**  trans-73.6151.5-175.4-58.6-91.1000115.1
417E33.4Very low30.8Very low144 Ų144143.9 Ų143.967%0.67377%0.773SS**  176120.5102-80.1-111.6124.700113.5
418K32.8Very low31.1Very low156 Ų156146.5 Ų146.568%0.67877%0.774SS**  trans54.9121.7135.4-58.7176.7-173.6141.30123.2
419T31.8Very low31.4Very low120 Ų120143.2 Ų143.274%0.73677%0.766SS**  trans84.9124.5136.3340000124.1
420N29Very low31.5Very low155 Ų155143.3 Ų143.383%0.82977%0.765SS**  trans95.1133.1141.9-60.7-21.4000122.3
421V30.4Very low31.2Very low133 Ų133143.1 Ų143.181%0.80677%0.765SS**  trans-114.8161.8176.2167.10000105.7
422P40.5Very low31.4Very low112 Ų112142.5 Ų142.573%0.72776%0.762SS**  cis-115.7175.219.98.719.3000114.5
423E24.5Very low31.2Very low170 Ų170142 Ų14279%0.79477%0.77SS**  cis97.6147.635.6-146-157.9159.100114.8
424I27.7Very low31.1Very low140 Ų140136.6 Ų136.672%0.71877%0.766SS**  trans89.5102166.8-49-178.2000119.9
425L35.1Very low31Very low134 Ų134137 Ų13770%0.70277%0.774SS**  trans8.6143136.3-167.973.8000122
426P30.6Very low30.7Very low124 Ų124135.9 Ų135.981%0.80577%0.77SS**  trans-131.2162.9139.438-27.5000115.8
427K29Very low30.5Very low172 Ų172134.2 Ų134.275%0.74877%0.77SS**  trans-149.3132.5172.8-86.8-172.8176.2179.30112.3
428L34.5Very low30.1Very low151 Ų151131.5 Ų131.579%0.79177%0.767SS**  trans65.1155.9163.9-57.8174.8000115.1
429P36.3Very low29.9Very low114 Ų114133 Ų13374%0.7477%0.774SS**  cis-112.6176.742.912.513.5000114
430I31.5Very low29.5Very low138 Ų138133.4 Ų133.471%0.70878%0.776SS**  cis77.6115.936.1-55.2168.8000111.5
431D28.5Very low29.2Very low140 Ų140136.8 Ų136.875%0.74978%0.779SS**  cis-165.3-175.737.6-147.6-8.8000115.9
432L32.1Very low28.9Very low151 Ų151136.3 Ų136.379%0.79178%0.775SS**  trans-21.8139.4168.3-77155000122.9
433A25.8Very low28.1Very low104 Ų104134.1 Ų134.186%0.8677%0.774SS**  158.5163.7110.400000113.7
434G28Very low28.3Very low80 Ų80135.8 Ų135.883%0.82578%0.778SS**  trans124.1111.1155.500000118.9
435V27.8Very low28.3Very low147 Ų147136 Ų13689%0.89178%0.78SS**  trans-65158.9-174.3173.70000116.5
436C24.8Very low27.9Very low120 Ų120135.8 Ų135.881%0.81179%0.785SS**  trans-55153.8173.4-52.10000115.5
437S27.4Very low27.7Very low113 Ų113134.2 Ų134.279%0.7978%0.777SS**  174.5149.699.8-160.60000115.5
438S23.8Very low27.6Very low88 Ų88133.9 Ų133.962%0.61578%0.778SS**  trans65.6122.6137.81700000123.3
439K28.2Very low27.3Very low188 Ų188132.3 Ų132.382%0.81778%0.775SS**  trans89.7130.4137.7-84.4-180-179.4178.90122.7
440V24.7Very low26.7Very low128 Ų128135 Ų13578%0.77678%0.775SS**  trans78.2106135.1175.10000119.1
441Y22.8Very low26.6Very low226 Ų226135 Ų13589%0.88677%0.772SS**  trans-66.2130.6146.5-112.9-108.3000110.2
442V23.5Very low26.5Very low122 Ų122135.5 Ų135.574%0.73977%0.774SS**  179118.8117.9150.30000107.4
443G23.8Very low26.4Very low67 Ų67133.6 Ų133.669%0.69177%0.769SS**  trans-83.2160.2171.600000112
444K28.9Very low26.4Very low204 Ų204134.3 Ų134.389%0.88776%0.762SS**  trans-124.6150.8159.6-73.2-174176.5-178.30108.6
445N26.6Very low26.3Very low144 Ų144138.2 Ų138.277%0.7776%0.763SS**  trans-94.6-174.2-171.3-56.1-22.9000111.4
446T27.9Very low26.2Very low130 Ų130134.1 Ų134.180%0.79875%0.751SS**  trans67.7121.2161.657.50000115.2
447S26.1Very low26.4Very low92 Ų92138.7 Ų138.764%0.64376%0.757SS**  48130.766.7-90.20000112.7
448E27.4Very low26.5Very low165 Ų165138 Ų13877%0.77175%0.752SS**  cis-157.51621.3-132.7153.312900109.9
449V26.3Very low26.5Very low117 Ų117140.5 Ų140.571%0.70976%0.759SS**  trans7.6121.6148.5177.10000117.5
450K25.7Very low26.6Very low172 Ų172139.6 Ų139.675%0.74876%0.757SS**  -168.2167.896-139.6137.6-161.1-64.30115.2
451E29Very low26.5Very low137 Ų137139.5 Ų139.564%0.6476%0.757SS**  trans-64.3161.9-167-60133.9138.400117.5
452D26.7Very low26.6Very low150 Ų150133.5 Ų133.580%0.80275%0.747SS**  trans58.2155.9138.3-76.816.7000123.2
453V29.8Very low26.7Very low112 Ų112135.6 Ų135.668%0.67975%0.749SS**  cis-167.3154.7-35.590.50000108
454V25.1Very low26.8Very low118 Ų118136.7 Ų136.772%0.71575%0.745SS**  trans62.9115.1160.1168.20000119.6
455L26.8Very low26.5Very low162 Ų162132.6 Ų132.685%0.84874%0.742SS**  48115.2128.7-15473.6000118.6
456G25.2Very low26.4Very low61 Ų61128.9 Ų128.963%0.62974%0.739SS**  cis101.813720.300000112.3
457K28.2Very low26.3Very low216 Ų216130.3 Ų130.394%0.93974%0.741SS**  trans-166.8151.5163.7-108.3150.2-171.1173.90111.7
458S28.9Very low26.4Very low98 Ų98134 Ų13469%0.68575%0.748SS**  trans-99.8166.8-173.657.80000113.4
459N25.6Very low26.4Very low142 Ų142131.4 Ų131.476%0.75974%0.739SS**  178.5162.8122.3-81.1-12.5000107.4
460Q28.7Very low26.3Very low168 Ų168133.5 Ų133.579%0.78574%0.741SS**  cis-159168.314.9-149.8175.2-500109.8
461V24.2Very low26.3Very low127 Ų127130.5 Ų130.577%0.7773%0.733SS**  trans66.4123164.3-177.70000115
462C24.1Very low26.4Very low100 Ų100132 Ų13268%0.67674%0.738SS**  cis-166.6-174.3-5.8-125.80000107.6
463Q25.8Very low26.3Very low166 Ų166130.7 Ų130.778%0.77673%0.734SS**  cis-153.5-151.65.9-148.8145.9-91.300111.2
464S25.3Very low26.2Very low89 Ų89130 Ų13062%0.62273%0.731SS**  trans-48.2139.416946.90000115.5
465S23.2Very low26.2Very low118 Ų118133.1 Ų133.183%0.82574%0.737SS**  cis97.5120.528.276.60000115
466G24Very low26.1Very low67 Ų67128.7 Ų128.769%0.69173%0.73SS**  trans159.2107.4165.600000116.3
467N26.6Very low26.1Very low160 Ų160134.4 Ų134.486%0.85675%0.746SS**  trans72.1126.2154.4-58.9-10000118.5
468H27.5Very low25.9Very low170 Ų170128.1 Ų128.179%0.78773%0.734SS**  83.4134.574.8-146.7-119.9000110.6
469L27Very low25.6Very low110 Ų110129.4 Ų129.458%0.57674%0.738SS**  cis-154.7140.710.3-168.564.6000105.5
470E24.8Very low25.8Very low161 Ų161128.3 Ų128.375%0.75274%0.736SS**  61.7154.962.7-136.2-169-126.700116.3
471N26.4Very low25.5Very low108 Ų108129.3 Ų129.358%0.57874%0.741SS**  trans71.2134.4177.3-65.5-83.3000116.2
472K30.4Very low25.6Very low170 Ų170126.3 Ų126.374%0.73974%0.735SS**  cis-150.3144.2-0.6-102.3174.2-178.8-1790108.4
473V25.2Very low25.7Very low121 Ų121130 Ų13073%0.73374%0.743SS**  63.3122.673.5160.10000111.1
474T26.9Very low25.8Very low98 Ų98129.4 Ų129.460%0.60174%0.744SS**  cis-168.7167.512.411.50000113.8
475H25.6Very low25.9Very low183 Ų183130.8 Ų130.885%0.84775%0.749SS**  trans66.4164151.7-63.6-39.3000117.4
476G24Very low26Very low69 Ų69129.8 Ų129.871%0.71174%0.742SS**  cis-177.6-157.50.400000114
477L25.3Very low26.2Very low181 Ų181133.8 Ų133.895%0.94874%0.743SS**  trans-72.4170.8177.2-120.571.9000112.9
478A24.3Very low26.2Very low84 Ų84134.8 Ų134.869%0.69474%0.742SS**  trans-65.6177.7172.100000114
479T23.1Very low27Very low125 Ų125137.3 Ų137.377%0.76775%0.745SS**  trans97.7109.3155.6-38.20000116.5
480V28.7Very low27.5Very low120 Ų120135.8 Ų135.873%0.72776%0.756SS**  trans65.5142.4150.2174.90000115.1
481E24Very low27.8Very low188 Ų188132.3 Ų132.388%0.87975%0.754SS**  cis-147.5160.419.2-141.4144.3-129.600107
482G25Very low27.8Very low64 Ų64135.8 Ų135.866%0.6677%0.767SS**  cis165175.6-0.700000110.2
483Q26.7Very low27.6Very low178 Ų178136.5 Ų136.583%0.83277%0.77SS**  trans76.6144.9161.2-139.962.52.300121.5
484L27.3Very low27.7Very low154 Ų154137.9 Ų137.981%0.80677%0.77SS**  trans68.2118.4173.4-48.6-179.7000115.3
485T27.1Very low27.6Very low118 Ų118139.4 Ų139.472%0.72478%0.775SS**  cis-132.4127.28.249.30000109.8
486S25.9Very low27.6Very low96 Ų96135.8 Ų135.867%0.67177%0.77SS**  39.1130.895.266.40000114.9
487E28.7Very low27.6Very low152 Ų152139 Ų13971%0.7178%0.776SS**  cis-108153.711.7-64.2160.783.700112R489E487-R489 IonicContact OE1-NH2 3.63Å
488E26.8Very low27.9Very low180 Ų180135.8 Ų135.884%0.84177%0.768SS**  cis77.245.532.4-150.5178.7165.700115.6
489R43.9Very low27.8Very low223 Ų223137.8 Ų137.884%0.84277%0.771SS**  trans-158.5141.2165.2-151.1167-69.2-118.11.5112.7E487E487-R489 IonicContact OE1-NH2 3.63Å
490G38.3Very low27.8Very low78 Ų78138 Ų13880%0.80477%0.772SS**  trans111.259.2159.800000119.9
491A29.3Very low27.4Very low88 Ų88140.6 Ų140.673%0.72778%0.778SS**  trans-48.9160.216500000115.6
492H26.6Very low28.6Very low181 Ų181136 Ų13684%0.83877%0.765SS**  cis-172.6157.3-5.7-114.7-40.7000112.8
493K27.3Very low28.7Very low185 Ų185141.6 Ų141.680%0.80477%0.771SS**  trans72.2111.9132.2-170.4176.7-178.3-178.60123.5
494M26.5Very low28.7Very low150 Ų150140.6 Ų140.674%0.73977%0.771SS**  56.1123.8122.5-152.588.886.200123.4
495N24.7Very low28.6Very low130 Ų130140.7 Ų140.770%0.69577%0.766SS**  trans30.1131.3143.7-50.5-8.1000123.7
496S26.7Very low28.4Very low107 Ų107142.2 Ų142.275%0.74877%0.765SS**  trans82.8151.6132.276.80000122.2
497T22.6Very low29.4Very low137 Ų137142.1 Ų142.184%0.8476%0.762SS**  trans86.5140.6163.3-43.40000117
498C32.8Very low29.4Very low114 Ų114145 Ų14577%0.7777%0.768SS**  trans-85172-175.7-53.20000113
499T22.8Very low29.7Very low126 Ų126140 Ų14077%0.77376%0.758SS**  trans139.1113.9132.2-57.20000114.7
500V21.8Very low28.9Very low128 Ų128134.1 Ų134.178%0.77675%0.751SS**  trans56.8110.4148.5-179.80000121.2
501M20.6Very low28.6Very low176 Ų176135 Ų13587%0.86775%0.745SS**  37.5168.5113-107.9-158.816000122.5
502P50.1Low28.6Very low91 Ų91138.7 Ų138.759%0.59175%0.747SS**  cis-141.3-167.6-4.442.3-22.5000117.1
503K26.3Very low28.4Very low182 Ų182135.1 Ų135.179%0.79174%0.741SS**  trans74.2144162.3-69.8176.7176.8-179.70116.2
504L26.2Very low28.4Very low157 Ų157133.6 Ų133.682%0.82274%0.74SS**  cis-132.4166.66.4-82.297.8000110.5
505H25.8Very low28.2Very low155 Ų155130.8 Ų130.872%0.71874%0.741SS**  cis-162.6-112.8-29.8-164.2-26.6000109.8
506E22.4Very low28.2Very low150 Ų150129.8 Ų129.870%0.70174%0.744SS**  trans-172-162-167.8-124.1-161.1130.800107.3
507P47Very low28.8Very low94 Ų94130.2 Ų130.261%0.6174%0.744SS**  cis-115.2-160.8-2.747-34.4000110.9
508Y29.6Very low29.5Very low213 Ų213131 Ų13184%0.83574%0.743SS**  cis-152.6160.42.4-110.5-36.6000105.2
509A31.8Very low29.3Very low75 Ų75136 Ų13662%0.6275%0.752SS**  cis-159.1-176.5-11.300000104.9
510S28.1Very low29.4Very low100 Ų100132.9 Ų132.970%0.69975%0.745SS**  cis-161.1-164.2-2.4-1390000104.4
511S30.9Very low29.5Very low97 Ų97133.6 Ų133.668%0.67875%0.75SS**  cis-169.4178.7-7.2370000105.4
512Q29.4Very low29.9Very low165 Ų165131.4 Ų131.477%0.77175%0.746SS**  cis-171.8155.4-35.7-91.3161.9-38.900103.8
513C23.4Very low28.6Very low105 Ų105132.8 Ų132.871%0.70976%0.758SS**  cis-172.3160.1-16.4-106.60000105.4
514I26.5Very low28.5Very low153 Ų153127 Ų12779%0.78575%0.75SS**  cis-167.4171.9-6.6-176.1158.3000108
515A22.2Very low28.8Very low91 Ų91127.7 Ų127.775%0.75275%0.754SS**  trans92152.6152.400000121.6
516S24.7Very low29Very low110 Ų110129.8 Ų129.877%0.76976%0.761SS**  trans-108.9-156.916663.30000107.2
517P39.8Very low30.2Very low115 Ų115128.4 Ų128.475%0.74777%0.765SS**  cis-136.4-161.46.543.9-23.6000114.8
518N38.1Very low29.2Very low153 Ų153128.1 Ų128.182%0.81877%0.771SS**  trans-85.1146.5174.6-59.1-45000113.3
519F28.1Very low29.1Very low221 Ų221125.1 Ų125.197%0.96977%0.769SS**  trans-159.2176.4141.8-99.5-70.4000107.8
520G24.5Very low28.9Very low60 Ų60130.2 Ų130.262%0.61978%0.782SS**  trans-158.7-165.7-17400000117
521T24.1Very low28.8Very low143 Ų143133 Ų13388%0.87779%0.788SS**  trans89.7149.7-179.8-26.50000116.4
522V28.2Very low28.8Very low130 Ų130134.6 Ų134.679%0.78879%0.785SS**  trans82.9105.7164.6-169.20000119.6
523S24.6Very low28.9Very low119 Ų119133.9 Ų133.983%0.83278%0.779SS**  trans36.1126.7134-158.90000122.8
524G24.1Very low29.1Very low62 Ų62135.2 Ų135.264%0.63978%0.779SS**  121.4129.411000000120.3
525L31.4Very low28.9Very low170 Ų170134 Ų13489%0.8978%0.784SS**  trans67.5103.2146.5-54.1176.9000121.3
526K29.8Very low29Very low199 Ų199134.9 Ų134.987%0.86578%0.784SS**  1.6163.5127.7-73.7-176.9177.8-179.30119.8
527P47.9Very low29.2Very low121 Ų121137.2 Ų137.279%0.78679%0.787SS**  cis-143.7177-28.440.2-23.1000114.9
528A25.6Very low28.6Very low89 Ų89140.5 Ų140.574%0.73679%0.792SS**  162.4149.5127.500000116.1
529N28Very low28.2Very low150 Ų150139.1 Ų139.180%0.80279%0.79SS**  trans58.295.1152.3-63.9-2.2000123.7
530M28.5Very low28.3Very low182 Ų182137.6 Ų137.690%0.89779%0.785SS**  trans43.1119.6131.2-50.4-162.683.400122.7
531L26.2Very low28.6Very low157 Ų157141.6 Ų141.682%0.82279%0.792SS**  -160.4133.3111.4-161.561.4000113.3
532E29.6Very low28.9Very low132 Ų132140.5 Ų140.562%0.61778%0.781SS**  trans39.9126.8157.2-67.2-163.415600126.4
533K32Very low29.5Very low149 Ų149143.3 Ų143.365%0.64878%0.782SS**  trans61.4137.8131.7-60.2167.5-169.9155.30120.2
534N26.4Very low30Very low133 Ų133142.9 Ų142.971%0.71178%0.779SS**  cis-154.6118.6-10.8-93.3-26.6000106.6
535C24.1Very low30.5Very low129 Ų129150.2 Ų150.287%0.87279%0.789SS**  73.4120.787.7-69.80000115.7
536S23Very low30.7Very low108 Ų108148.7 Ų148.776%0.75578%0.782SS**  trans-124.6144.7-179.250.60000112.2
537L28.9Very low31.1Very low159 Ų159144.2 Ų144.283%0.83277%0.771SS**  trans53.1157.8147.4-65.4176.6000123.1
538Q27.6Very low30.5Very low185 Ų185148 Ų14886%0.86478%0.775SS**  trans83.4172.6154.9-85175.6-16.100120.1
539T29.9Very low31.2Very low124 Ų124151 Ų15176%0.76178%0.779SS**  trans-134.9138.9-139.6-57.80000110.4
540E29.1Very low32Very low188 Ų188149.4 Ų149.488%0.87978%0.777SS**  trans-171.9-167.4134.1-108.4178.2-174.300113.7
541L30.8Very low32Very low145 Ų145146.4 Ų146.476%0.75977%0.773SS**  trans-127162.6-147.3-68.1164.3000115.8
542N31.7Very low32.9Very low120 Ų120144.2 Ų144.264%0.64277%0.769SS**  trans83.7110.4151.7-71.6-60.6000122.2
543K39.7Very low33.1Very low188 Ų188145.3 Ų145.382%0.81778%0.778SS**  70.8114.5125.1-62.3172.2-178.9174.30122
544S36Very low33.2Very low110 Ų110146.4 Ų146.477%0.76979%0.79SS**  -161.9137.7126.5520000113.8
545Y34.3Very low33.5Very low217 Ų217148.2 Ų148.285%0.85180%0.796SS**  trans10.9151.3140.5-72-86.3000121.7
546D36.3Very low34.1Very low137 Ų137150 Ų15073%0.73379%0.792SS**  cis-155179.8-0-154.7-0.7000112.9
547V38.1Very low34.5Very low106 Ų106150.6 Ų150.664%0.64279%0.787SS**  trans-74.6144.9-175.7171.80000115.5
548K35.7Very low34.8Very low200 Ų200150.2 Ų150.287%0.8778%0.78SS**  trans-171.291.9130.2-103.5158.5-170.9172.40117.1
549N38.6Very low34.9Very low153 Ų153147.8 Ų147.882%0.81877%0.774SS**  trans62157.5149-79.55.5000121.1
550P45Very low34.8Very low116 Ų116149.1 Ų149.175%0.75377%0.773SS**  trans-98.6158.7-160.938.2-35.9000114.8
551S29Very low34.8Very low118 Ų118149 Ų14983%0.82576%0.764SS**  trans-79.4153.9172.1-640000113.1
552P46Very low34.8Very low112 Ų112148.1 Ų148.173%0.72776%0.756SS**  trans-92175.4-169.437.6-30.5000111.8
553L33.8Very low34.5Very low154 Ų154149.2 Ų149.281%0.80676%0.758SS**  -153.2134.953.4-78.8160.2000114.6
554L32.8Very low34Very low172 Ų172146.7 Ų146.790%0.90175%0.75SS**  trans-139.678.3153.8-161.8172.1000107.5
555M34.3Very low33.6Very low172 Ų172148.2 Ų148.285%0.84775%0.75SS**  trans-144.6143.4169-93.4-16669.200110.7
556Q35.7Very low33.3Very low165 Ų165144.2 Ų144.277%0.77175%0.748SS**  trans-122.1145.6-176.6171.4-172.513.700107.6
557N31.6Very low33.5Very low122 Ų122143.1 Ų143.165%0.65275%0.749SS**  trans171.9132.7136.6-93.1-52000115.4
558Q35.1Very low32.9Very low150 Ų150145.7 Ų145.770%0.70176%0.756SS**  trans65.5109.3132.3-64.1176.148.800123.8
559N29.8Very low32.5Very low135 Ų135142.3 Ų142.372%0.72275%0.752SS**  78.6128.2112.9-66-13.6000124.9
560M28.4Very low31.8Very low151 Ų151139.8 Ų139.874%0.74475%0.746SS**  106120.6127.3-86.4172.463.800123.9
561R28.9Very low30.9Very low186 Ų186140.5 Ų140.570%0.70275%0.752SS**  trans87.4128.6136.5-84.4-176.2173.9-95.8-4.3123.7
562Q29.9Very low30.7Very low126 Ų126138 Ų13859%0.58975%0.745SS**  trans77.3119.3141.3-71.9-179.7-87.300118.3
563Q26.3Very low29.9Very low144 Ų144139.7 Ų139.767%0.67375%0.748SS**  74.6139.987.1-78.7-176.8-62.600112.9
564M28.9Very low29.7Very low134 Ų134139.7 Ų139.766%0.6674%0.744SS**  cis-153.8178.323.4-129-20.7-152.600112.9
565D27.2Very low29.5Very low142 Ų142138.3 Ų138.376%0.75973%0.732SS**  trans74.8138.5155.1-55.5-29.2000123.1
566T29.1Very low29.1Very low134 Ų134138.7 Ų138.782%0.82273%0.73SS**  trans-131.4145.8-171.7-31.80000112.2
567P39.7Very low29Very low114 Ų114137.8 Ų137.874%0.7473%0.729SS**  -143.7166.7122.724-3.2000113.8
568M26.2Very low28.7Very low160 Ų160137.4 Ų137.479%0.78873%0.728SS**  cis-171.7146.5-24.3-111.4175.465.600109.4
569V26.3Very low28.2Very low129 Ų129136.6 Ų136.678%0.78273%0.728SS**  trans61.8129154.8178.60000117.9
570S24.8Very low28Very low100 Ų100134 Ų13470%0.69972%0.721SS**  cis-146.1141.77.953.80000113.8
571C25.3Very low28Very low130 Ų130136 Ų13688%0.87873%0.725SS**  trans33.9122149-49.10000119.6
572G25.5Very low28.1Very low65 Ų65134 Ų13467%0.6772%0.724SS**  cis109.1137.51400000111.4
573N27.6Very low28.4Very low149 Ų149136.7 Ų136.780%0.79773%0.734SS**  cis-140146.95.7-67.9-16000107.7
574E29.6Very low28.7Very low154 Ų154136.6 Ų136.672%0.7274%0.743SS**  66.414257.3-66-155.7156.900115.9
575Q29Very low29Very low142 Ų142138 Ų13866%0.66475%0.745SS**  cis-160.9132.5-25.5-115167.539.500107.2
576F26.5Very low29.1Very low181 Ų181141.2 Ų141.279%0.79475%0.747SS**  59.4131.8102.6-80.4-96.1000119.3
577L33.3Very low29.4Very low145 Ų145145.8 Ų145.876%0.75975%0.749SS**  trans68.3155.4138.6-77.2169.9000120.3
578D25.5Very low28.9Very low115 Ų115147 Ų14762%0.61575%0.748SS**  cis-157.5172.9-5.5-157.11.5000112.5
579N23.7Very low29.2Very low132 Ų132146.1 Ų146.171%0.70675%0.747SS**  trans66.6160.3158.3-67.5-61.3000116.9
580S26.4Very low29.8Very low82 Ų82143.3 Ų143.357%0.57373%0.727SS**  cis-162.3153.312.987.60000112
581F29.3Very low30.1Very low192 Ų192146.2 Ų146.284%0.84274%0.735SS**  trans54.5171.9147.1-61.7-51.6000119.9
582E30.4Very low30.8Very low145 Ų145143.7 Ų143.768%0.67871%0.712SS**  cis-149.8171.9-32.7168.3159.7-144.600109
583K36.1Very low31.4Very low182 Ų182148 Ų14879%0.79172%0.719SS**  trans-63129.9-178.3-39.7118.8-173.41560113.1
584V32.4Very low31.7Very low142 Ų142143.9 Ų143.986%0.86171%0.712SS**  trans-127.2135.7161-178.70000110.9
585K34.4Very low31.8Very low164 Ų164142.3 Ų142.371%0.71371%0.713SS**  trans-100131.5171.1-96.9176.4179.9161.90109.7
586R30.2Very low31.8Very low208 Ų208142.6 Ų142.679%0.78571%0.714SS**  trans49.3114.8145.9-48.8166.7-173.8162.8-5.8117
587R35.1Very low32.2Very low230 Ų230141.4 Ų141.487%0.86871%0.709SS**  -140.2161.9101.5-68.8-153.6178.1-161.30.7108.8
588L29.4Very low31.9Very low140 Ų140141.9 Ų141.973%0.73371%0.707SS**  trans-154.299.1176.8-166.5166.4000105.4L590L588-L590 HydrophobicContact CD2-CD2 3.84Å; L588-L590 HydrophobicContact CD2-CG 4.04Å
589D32.8Very low32Very low142 Ų142143.1 Ų143.176%0.75971%0.714SS**  trans-94.2157.2171.1-58.9-62.8000108.1
590L38.2Very low32.4Very low69 Ų69142.5 Ų142.536%0.36172%0.719SS.*  trans-123.8132.3-170.6-72.8167.2000110.6V288 L588V288-L590 HydrophobicContact CB-CD1 4Å; V288-L590 HydrophobicContact CG1-CD1 3.74Å; L588-L590 HydrophobicContact CD2-CD2 3.84Å; L588-L590 HydrophobicContact CD2-CG 4.04Å
591D32.7Very low32.7Very low162 Ų162145 Ų14587%0.86673%0.733SS**  trans-128.2153.8166.7-82.1-48.9000110
592I39.3Very low32.5Very low77 Ų77146.3 Ų146.340%0.39573%0.734SS.*  trans-145.4135.2-171.9-82.1-108.6000106.2
593D37.5Very low32.3Very low154 Ų154143.9 Ų143.982%0.82473%0.729SS**  -175161.3109.3-134.6-33.8000114.2
594G33.3Very low31.8Very low63 Ų63142.7 Ų142.765%0.64973%0.729SS**  trans101.3143.4152.800000119.1
595V31.7Very low31.5Very low122 Ų122141.9 Ų141.974%0.73973%0.725SS**  cis-163.5140.4-27.5105.50000111.5
596Q30.8Very low31Very low147 Ų147139.5 Ų139.569%0.68773%0.729SS**  trans62.5151.1158.1-70.3-176.32600124.6
597K33Very low30.8Very low156 Ų156132.7 Ų132.768%0.67872%0.723SS**  trans83.888.7144.5-83.91631781460122.8
598E28.1Very low30.6Very low155 Ų155129.1 Ų129.172%0.72472%0.72SS**  58.3107107.1-68.2164.3-167.400121.2
599N28.2Very low30.7Very low142 Ų142128.3 Ų128.376%0.75972%0.721SS**  58.5107.8127.6-58.3-32.3000121.5
600C31.2Very low30.6Very low119 Ų119129.3 Ų129.380%0.80472%0.721SS**  44.7136.5120.6-56.70000120.6
601P33.3Very low30.1Very low134 Ų134133 Ų13387%0.8774%0.736SS**  -137.217889.339.6-29000115.8
602Y24Very low29.9Very low220 Ų220131.7 Ų131.786%0.86373%0.725SS**  trans-118174178.1174.1-129.3000108.7
603V26.3Very low29.5Very low94 Ų94136.7 Ų136.757%0.5774%0.739SS**  trans97.2117.3158.4-170.20000119.6
604I26.6Very low28.8Very low157 Ų157137.5 Ų137.581%0.80574%0.738SS**  trans70.2147.1151.4-75.1170.4000117.1
605T24.8Very low28.5Very low125 Ų125141.7 Ų141.777%0.76774%0.74SS**  cis-130.8170.626.461.40000116.8
606S24.8Very low28.3Very low114 Ų114142.8 Ų142.880%0.79774%0.741SS**  trans-65173.9150.6-38.30000111.9
607G25.1Very low28.9Very low65 Ų65141.8 Ų141.867%0.6775%0.747SS**  cis150.8160.1-6.600000112.7
608I32.5Very low28.7Very low154 Ų154139.6 Ų139.679%0.7974%0.739SS**  trans72.7130.1161.9-48.9165000118.9
609T29.8Very low28.7Very low123 Ų123140.8 Ų140.876%0.75574%0.742SS**  trans156.115213536.40000110.4
610E32Very low28.8Very low163 Ų163142.7 Ų142.776%0.76274%0.739SS**  cis-164.6153.1-31.3-126.9174.2-132.500108
611Q27.9Very low28.5Very low146 Ų146146.9 Ų146.968%0.68274%0.739SS**  173.1160.3106-109.5173.6400108.1
612E26.7Very low29.1Very low136 Ų136145.1 Ų145.164%0.63673%0.728SS**  cis-148.3126.419178.9153.2-13900114.6
613R31.1Very low29.7Very low182 Ų182144.1 Ų144.169%0.68773%0.728SS**  trans40.8142.6139.2-60.4174.2177.7136.4-7.5122.1
614Q24.7Very low29.7Very low171 Ų171143.1 Ų143.180%0.79974%0.737SS**  -161.6141.772.3-89.2-171.815.600117.2
615H27Very low30.2Very low150 Ų150141.1 Ų141.169%0.69474%0.737SS**  trans57105.3151-67.2-72.5000125.9
616L27.2Very low30.3Very low146 Ų146141.4 Ų141.476%0.76474%0.738SS**  54.1155.7108.9-80173.9000122.6
617P42.8Very low31.1Very low125 Ų125145.4 Ų145.481%0.81274%0.741SS**  cis-124.6-113.528.938.6-19.1000119.6
618E28.1Very low31.5Very low111 Ų111149.4 Ų149.452%0.51975%0.746SS.*  trans-140.3139.8-138.1-173.6-109.1158.300116.2R620E618-R620 WeakPolarHBondContact OE1-CG 3.03Å; E618-R620 IonicContact OE1-CZ 3.69Å; E618-R620 IonicContact OE1-NE 2.8Å; E618-R620 PolarHBondContact OE1-NE 3.31Å; E618-R620 IonicContact OE1-NH2 3.69Å; E618-R620 IonicContact OE2-NH2 3.84Å
619K29.7Very low31.4Very low180 Ų180148.8 Ų148.878%0.78374%0.744SS**  -173.3106.8127.4-103.3169.3-175174.50116.9
620R30Very low32.3Very low182 Ų182151.2 Ų151.269%0.68774%0.744SS**  trans42.8106.4136.7-47.3-175.1-167.5-171.11.6122.8E618E618-R620 WeakPolarHBondContact OE1-CG 3.03Å; E618-R620 IonicContact OE1-CZ 3.69Å; E618-R620 IonicContact OE1-NE 2.8Å; E618-R620 PolarHBondContact OE1-NE 3.31Å; E618-R620 IonicContact OE1-NH2 3.69Å; E618-R620 IonicContact OE2-NH2 3.84Å
621Y24.7Very low33Very low207 Ų207150.5 Ų150.581%0.81275%0.746SS**  58.5163.2110.2-74.6-53.9000123.1
622P45.2Very low33.9Very low97 Ų97153.5 Ų153.563%0.6376%0.756SS**  cis-142.2161.1-17.833.1-13000118.1
623K36.1Very low34.8Very low198 Ų198154.5 Ų154.586%0.86176%0.764SS**  trans60.8159.6149.7-91.386.5176.6-171.70118.8
624G26.7Very low35.6Very low74 Ų74154 Ų15476%0.76378%0.775SS**  cis-164.3-179.24.300000114.7
625S37.1Very low36.6Very low115 Ų115148.9 Ų148.980%0.80477%0.767SS**  trans-106.3151.6-166.555.40000114.9
626V28Very low37.5Very low131 Ų131146.3 Ų146.379%0.79476%0.762SS**  trans-142.2145147.5174.30000109.6I628V626-I628 HydrophobicContact CG1-CD1 4.04Å; V626-I628 HydrophobicContact CG1-CG1 3.89Å
627F40.1Very low38.8Very low197 Ų197142.8 Ų142.886%0.86475%0.75SS**  trans-125.9116.8177-177.3-79.2000108.9
628I33.9Very low39.5Very low149 Ų149141.1 Ų141.176%0.76474%0.741SS**  trans-134.2109.7175.7-64179.5000111.3V626V626-I628 HydrophobicContact CG1-CD1 4.04Å; V626-I628 HydrophobicContact CG1-CG1 3.89Å
629N30.2Very low41Very low142 Ų142143.1 Ų143.176%0.75975%0.749SS**  trans37.7160.6136.8-141.90.5000123
630K48.7Very low42.7Very low174 Ų174139.7 Ų139.776%0.75774%0.735SS**  trans-102160.7-162.8-53.5173.2-177.6174.90113.8
631N47.3Very low44.1Very low148 Ų148134.3 Ų134.379%0.79173%0.725SS**  trans63.297.6152.1-58.4-8.2000119.5
632K46.3Very low46.6Very low208 Ų208129.2 Ų129.290%0.90471%0.709SS**  trans-168.4174.5133.5-115.3173-179.1179.50112.8
633I45.2Very low48.4Very low157 Ų157130.6 Ų130.681%0.80571%0.707SS**  trans73.170.9174.3-39.9-177.1000115.4
634L48Very low50.8Low172 Ų172125.9 Ų125.990%0.90169%0.691SS**  trans-73.1128.3140.9173.467.3000107.3
635G45.6Very low53.7Low63 Ų63128 Ų12865%0.64968%0.684SS**  trans-174.5-42.5-178.300000119.7
636T47.8Very low56.3Low96 Ų96127.3 Ų127.359%0.58967%0.666SS**SBendtrans-111.2-28.6-167.358.60000115.8S638 K639 E640T636-S638 PolarHBondContact O-N 3.33Å; T636-K639 PolarHBondContact O-N 3.02Å; T636-E640 WeakPolarHBondContact CB-OE1 3.4Å; T636-E640 PolarHBondContact OG1-OE1 3.02Å
637S53.8Low59.4Low73 Ų73124.7 Ų124.751%0.5165%0.654SS.*Hα-helixtrans-59.1-16.8-162.955.80000117S641S637-S641 VanDerWaalsContact O-CB 3.3Å; S637-S641 WeakPolarHBondContact O-CB 3.32Å; S637-S641 PolarHBondContact O-N 2.86Å; S637-S641 PolarHBondContact O-OG 2.96Å
638S57.4Low61.8Low89 Ų89120.7 Ų120.762%0.62264%0.636SS**Hα-helixtrans-64.5-49.1-178.4-167.80000112.6T636 S641 E642T636-S638 PolarHBondContact O-N 3.33Å; S638-S641 PolarHBondContact O-N 3.3Å; S638-S641 PolarHBondContact O-OG 2.82Å; S638-E642 PolarHBondContact O-N 3.31Å
639K60Low64.7Low154 Ų154119.5 Ų119.567%0.6763%0.629SS**Hα-helixtrans-69.3-46-176.1-67.7-174.9177.9-1770111.4T636 S641 E642 E643T636-K639 PolarHBondContact O-N 3.02Å; K639-S641 PolarHBondContact O-N 2.91Å; K639-E642 PolarHBondContact O-N 3.49Å; K639-E643 PolarHBondContact O-N 3.32Å
640E64.5Low67.7Low107 Ų107117.8 Ų117.850%0.562%0.619SS.*Hα-helixtrans-53.5-40.7173.4-63.6160.7-159.600111.4T636 L644T636-E640 WeakPolarHBondContact CB-OE1 3.4Å; T636-E640 PolarHBondContact OG1-OE1 3.02Å; E640-L644 WeakPolarHBondContact O-CB 3.24Å; E640-L644 PolarHBondContact O-N 2.89Å
641S59.8Low69.8Low69 Ų69111.8 Ų111.848%0.48360%0.602SS.*Hα-helixtrans-68.4-33.417778.90000113.9S637 S638 K639 L645S637-S641 VanDerWaalsContact O-CB 3.3Å; S637-S641 WeakPolarHBondContact O-CB 3.32Å; S637-S641 PolarHBondContact O-N 2.86Å; S637-S641 PolarHBondContact O-OG 2.96Å; S638-S641 PolarHBondContact O-N 3.3Å; S638-S641 PolarHBondContact O-OG 2.82Å; K639-S641 PolarHBondContact O-N 2.91Å; S641-L645 WeakPolarHBondContact O-CB 3.47Å; S641-L645 PolarHBondContact O-N 3.32Å
642E77.6Confident72.1Confident101 Ų101111.4 Ų111.447%0.47259%0.594SS.*Hα-helixtrans-74.9-41.1178.2-162.7-166.3137.400111.3S638 K639 L645 K646S638-E642 PolarHBondContact O-N 3.31Å; K639-E642 PolarHBondContact O-N 3.49Å; E642-L645 PolarHBondContact O-N 2.89Å; E642-K646 WeakPolarHBondContact O-CB 3.31Å; E642-K646 WeakPolarHBondContact O-CG 3.38Å; E642-K646 PolarHBondContact O-N 3Å; E642-K646 VanDerWaalsContact OE1-CE 3.26Å; E642-K646 WeakPolarHBondContact OE1-CE 3.42Å; E642-K646 IonicContact OE1-NZ 2.63Å; E642-K646 PolarHBondContact OE1-NZ 3.46Å
643E82.7Confident74.4Confident126 Ų126107.6 Ų107.659%0.58958%0.579SS**Hα-helixtrans-65-40.3173.6-71.4169-16100111.3K639 L645 K646 S647K639-E643 PolarHBondContact O-N 3.32Å; E643-L645 VanDerWaalsContact C-N 3.33Å; E643-L645 PolarHBondContact O-N 2.91Å; E643-K646 PolarHBondContact O-N 3.25Å; E643-S647 VanDerWaalsContact O-CB 3.3Å; E643-S647 WeakPolarHBondContact O-CB 3.42Å; E643-S647 PolarHBondContact O-N 2.88Å
644L86.6Confident76.8Confident98 Ų98104.7 Ų104.751%0.51356%0.562SS.*Hα-helixtrans-67.3-31.1173.5-175.2137.9000112.6E640 K648E640-L644 WeakPolarHBondContact O-CB 3.24Å; E640-L644 PolarHBondContact O-N 2.89Å; L644-K648 HydrophobicContact CD2-CD 4.05Å; L644-K648 WeakPolarHBondContact O-CB 3.14Å; L644-K648 VanDerWaalsContact O-CG 3.3Å; L644-K648 WeakPolarHBondContact O-CG 3.5Å; L644-K648 PolarHBondContact O-N 3.25Å; L644-K648 VanDerWaalsContact O-N 3.09Å
645L88.1Confident78.9Confident118 Ų118102.2 Ų102.262%0.61855%0.547SS*.Hα-helixtrans-71.6-43.1172-17761.7000111.8S641 E642 E643 K648 M649S641-L645 WeakPolarHBondContact O-CB 3.47Å; S641-L645 PolarHBondContact O-N 3.32Å; E642-L645 PolarHBondContact O-N 2.89Å; E643-L645 VanDerWaalsContact C-N 3.33Å; E643-L645 PolarHBondContact O-N 2.91Å; L645-K648 PolarHBondContact O-N 2.97Å; L645-M649 WeakPolarHBondContact O-CB 3.41Å; L645-M649 PolarHBondContact O-N 3.45Å
646K91.3Very high81.1Confident101 Ų101107.6 Ų107.644%0.43955%0.548SS..Hα-helixtrans-60.9-44.7173.8-75.2161.7168.8168.70111.6E642 E643 M649 L650E642-K646 WeakPolarHBondContact O-CB 3.31Å; E642-K646 WeakPolarHBondContact O-CG 3.38Å; E642-K646 PolarHBondContact O-N 3Å; E642-K646 VanDerWaalsContact OE1-CE 3.26Å; E642-K646 WeakPolarHBondContact OE1-CE 3.42Å; E642-K646 IonicContact OE1-NZ 2.63Å; E642-K646 PolarHBondContact OE1-NZ 3.46Å; E643-K646 PolarHBondContact O-N 3.25Å; K646-M649 WeakPolarHBondContact O-CB 3.26Å; K646-M649 PolarHBondContact O-N 3.1Å; K646-L650 WeakPolarHBondContact O-CG 3.38Å; K646-L650 PolarHBondContact O-N 3.44Å
647S92Very high83.4Confident76 Ų76109 Ų10953%0.53155%0.546SS..Hα-helixtrans-58.5-47.1174.5177.40000111.9E643 M649 L650 A651E643-S647 VanDerWaalsContact O-CB 3.3Å; E643-S647 WeakPolarHBondContact O-CB 3.42Å; E643-S647 PolarHBondContact O-N 2.88Å; S647-M649 PolarHBondContact O-N 2.85Å; S647-L650 PolarHBondContact O-N 3.22Å; S647-A651 WeakPolarHBondContact O-CB 3.34Å; S647-A651 PolarHBondContact O-N 2.73Å
648K91.5Very high85.3Confident114 Ų114112.3 Ų112.350%0.49655%0.547SS..Hα-helixtrans-61-40.6173.9-76.2172.2178.5178.40112.9L644 L645 A651 F652L644-K648 HydrophobicContact CD2-CD 4.05Å; L644-K648 WeakPolarHBondContact O-CB 3.14Å; L644-K648 VanDerWaalsContact O-CG 3.3Å; L644-K648 WeakPolarHBondContact O-CG 3.5Å; L644-K648 PolarHBondContact O-N 3.25Å; L644-K648 VanDerWaalsContact O-N 3.09Å; L645-K648 PolarHBondContact O-N 2.97Å; K648-A651 PolarHBondContact O-N 2.85Å; K648-F652 WeakPolarHBondContact O-CD2 3.42Å; K648-F652 PolarHBondContact O-N 2.87Å
649M93.3Very high87.1Confident124 Ų124112.9 Ų112.961%0.61154%0.543SS*.Hα-helixtrans-62.5-46.3177.7-174.3171.667.900111.5L645 K646 S647 F652 E653L645-M649 WeakPolarHBondContact O-CB 3.41Å; L645-M649 PolarHBondContact O-N 3.45Å; K646-M649 WeakPolarHBondContact O-CB 3.26Å; K646-M649 PolarHBondContact O-N 3.1Å; S647-M649 PolarHBondContact O-N 2.85Å; M649-F652 PolarHBondContact O-N 3.16Å; M649-E653 PolarHBondContact O-N 3.42Å
650L93.8Very high88.7Confident106 Ų106111.3 Ų111.356%0.55554%0.538SS*.Hα-helixtrans-62.9-41.7175-69.9170.1000111.9K646 S647 F652 E653 E654K646-L650 WeakPolarHBondContact O-CG 3.38Å; K646-L650 PolarHBondContact O-N 3.44Å; S647-L650 PolarHBondContact O-N 3.22Å; L650-F652 VanDerWaalsContact C-N 3.32Å; L650-F652 PolarHBondContact O-N 2.98Å; L650-E653 PolarHBondContact O-N 3.48Å; L650-E653 VanDerWaalsContact O-N 3.15Å; L650-E654 WeakPolarHBondContact O-CB 3.32Å; L650-E654 PolarHBondContact O-N 2.91Å
651A93.6Very high90.2Very high47 Ų47109.9 Ų109.939%0.38853%0.531SS..Hα-helixtrans-62.5-35.8176.600000112.8S647 K648 M655S647-A651 WeakPolarHBondContact O-CB 3.34Å; S647-A651 PolarHBondContact O-N 2.73Å; K648-A651 PolarHBondContact O-N 2.85Å; A651-M655 WeakPolarHBondContact O-CB 3.46Å; A651-M655 PolarHBondContact O-N 3.2Å
652F95.6Very high91.9Very high141 Ų141111.1 Ų111.162%0.61853%0.529SS*.Hα-helixtrans-71.7-35172.8-73.2-56.4000112.9K648 M649 L650 R656K648-F652 WeakPolarHBondContact O-CD2 3.42Å; K648-F652 PolarHBondContact O-N 2.87Å; M649-F652 PolarHBondContact O-N 3.16Å; L650-F652 VanDerWaalsContact C-N 3.32Å; L650-F652 PolarHBondContact O-N 2.98Å; F652-R656 VanDerWaalsContact O-CB 3.3Å; F652-R656 WeakPolarHBondContact O-CB 3.37Å; F652-R656 PolarHBondContact O-N 2.95Å
653E95.1Very high92.7Very high127 Ų127110.9 Ų110.959%0.59353%0.528SS*.Hα-helixtrans-67.7-43.5174.1-176.3162.1-14400111.7M649 L650 R656 K657M649-E653 PolarHBondContact O-N 3.42Å; L650-E653 PolarHBondContact O-N 3.48Å; L650-E653 VanDerWaalsContact O-N 3.15Å; E653-R656 PolarHBondContact O-N 3.36Å; E653-K657 WeakPolarHBondContact O-CB 3.49Å; E653-K657 PolarHBondContact O-N 2.78Å
654E94.3Very high93.3Very high96 Ų96107.5 Ų107.545%0.44952%0.522SS..Hα-helixtrans-63.8-43.1174.9-164.9-165167.700111.8L650 R656 K657 R658L650-E654 WeakPolarHBondContact O-CB 3.32Å; L650-E654 PolarHBondContact O-N 2.91Å; E654-R656 VanDerWaalsContact C-N 3.34Å; E654-R656 PolarHBondContact O-N 3.41Å; E654-K657 PolarHBondContact O-N 2.81Å; E654-R658 PolarHBondContact O-N 2.78Å; E654-R658 IonicContact OE1-CZ 2.59Å; E654-R658 IonicContact OE1-NH1 2.6Å; E654-R658 PolarHBondContact OE1-NH1 2.78Å; E654-R658 IonicContact OE1-NH2 3.47Å; E654-R658 PolarHBondContact OE1-NH2 3.3Å; E654-R658 IonicContact OE2-NH1 2.72Å
655M93.4Very high93.8Very high120 Ų120107.6 Ų107.659%0.59152%0.519SS*.Hα-helixtrans-61.2-42.4173.4-176.5-173.7-62.500111.7A651 L659A651-M655 WeakPolarHBondContact O-CB 3.46Å; A651-M655 PolarHBondContact O-N 3.2Å; M655-L659 WeakPolarHBondContact O-CB 3.34Å; M655-L659 PolarHBondContact O-N 2.91Å; M655-L659 VanDerWaalsContact O-N 3.07Å
656R90.8Very high94.1Very high177 Ų177107.8 Ų107.867%0.66852%0.517SS*.Hα-helixtrans-64.8-43.2175.3177.8178.9170.2-178.4-5.3111.5F652 E653 E654 L659 E660F652-R656 VanDerWaalsContact O-CB 3.3Å; F652-R656 WeakPolarHBondContact O-CB 3.37Å; F652-R656 PolarHBondContact O-N 2.95Å; E653-R656 PolarHBondContact O-N 3.36Å; E654-R656 VanDerWaalsContact C-N 3.34Å; E654-R656 PolarHBondContact O-N 3.41Å; R656-L659 PolarHBondContact O-N 3.43Å; R656-E660 WeakPolarHBondContact O-CB 3.41Å; R656-E660 PolarHBondContact O-N 3.19Å
657K95.3Very high94.3Very high126 Ų126107.9 Ų107.955%0.54852%0.522SS..Hα-helixtrans-60.7-46.6177-173.7173.4-177.8-72.80111.2E653 E654 L659 E660 E661E653-K657 WeakPolarHBondContact O-CB 3.49Å; E653-K657 PolarHBondContact O-N 2.78Å; E654-K657 PolarHBondContact O-N 2.81Å; K657-L659 VanDerWaalsContact C-N 3.32Å; K657-L659 PolarHBondContact O-N 2.87Å; K657-E660 PolarHBondContact O-N 2.9Å; K657-E661 IonicContact NZ-OE1 3.82Å; K657-E661 PolarHBondContact NZ-OE1 3.19Å; K657-E661 WeakPolarHBondContact O-CB 3.34Å; K657-E661 VanDerWaalsContact O-CG 3.3Å; K657-E661 WeakPolarHBondContact O-CG 3.37Å; K657-E661 PolarHBondContact O-N 3.3Å
658R94.1Very high94.4Very high142 Ų142107.4 Ų107.454%0.53652%0.519SS..Hα-helixtrans-57.8-41.4172.7-76.2-169.6177.595.610.8112.7E654 E661 Q662E654-R658 PolarHBondContact O-N 2.78Å; E654-R658 IonicContact OE1-CZ 2.59Å; E654-R658 IonicContact OE1-NH1 2.6Å; E654-R658 PolarHBondContact OE1-NH1 2.78Å; E654-R658 IonicContact OE1-NH2 3.47Å; E654-R658 PolarHBondContact OE1-NH2 3.3Å; E654-R658 IonicContact OE2-NH1 2.72Å; R658-E661 PolarHBondContact O-N 3.27Å; R658-Q662 WeakPolarHBondContact O-CB 3.39Å; R658-Q662 WeakPolarHBondContact O-CG 3.25Å; R658-Q662 PolarHBondContact O-N 3.36Å
659L95.9Very high94.7Very high101 Ų101108 Ų10853%0.52953%0.526SS..Hα-helixtrans-69.6-35.3179.1-173.6142000112.3M655 R656 K657 H663M655-L659 WeakPolarHBondContact O-CB 3.34Å; M655-L659 PolarHBondContact O-N 2.91Å; M655-L659 VanDerWaalsContact O-N 3.07Å; R656-L659 PolarHBondContact O-N 3.43Å; K657-L659 VanDerWaalsContact C-N 3.32Å; K657-L659 PolarHBondContact O-N 2.87Å; L659-H663 VanDerWaalsContact CD2-CE1 3.43Å; L659-H663 WeakPolarHBondContact CD2-CE1 3.43Å; L659-H663 PolarHBondContact O-N 3.15Å; L659-H663 VanDerWaalsContact O-N 3.08Å
660E93.7Very high94.8Very high121 Ų121106.9 Ų106.957%0.56552%0.522SS*.Hα-helixtrans-69.9-38.8173.1-167.5155.8-177.600111.8R656 K657 H663 A664R656-E660 WeakPolarHBondContact O-CB 3.41Å; R656-E660 PolarHBondContact O-N 3.19Å; K657-E660 PolarHBondContact O-N 2.9Å; E660-H663 PolarHBondContact O-N 2.98Å; E660-A664 WeakPolarHBondContact O-CB 3.27Å; E660-A664 PolarHBondContact O-N 2.76Å
661E96Very high94.8Very high76 Ų76107 Ų10736%0.35552%0.522SS..Hα-helixtrans-63.5-41.7171.2-73.5165.9176.300112.3K657 R658 H663 A664 Q665K657-E661 IonicContact NZ-OE1 3.82Å; K657-E661 PolarHBondContact NZ-OE1 3.19Å; K657-E661 WeakPolarHBondContact O-CB 3.34Å; K657-E661 VanDerWaalsContact O-CG 3.3Å; K657-E661 WeakPolarHBondContact O-CG 3.37Å; K657-E661 PolarHBondContact O-N 3.3Å; R658-E661 PolarHBondContact O-N 3.27Å; E661-H663 PolarHBondContact O-N 2.84Å; E661-A664 PolarHBondContact O-N 2.93Å; E661-Q665 VanDerWaalsContact O-CG 3.31Å; E661-Q665 WeakPolarHBondContact O-CG 3.41Å; E661-Q665 PolarHBondContact O-N 2.85Å
662Q96.2Very high94.9Very high95 Ų95106.6 Ų106.644%0.44452%0.519SS..Hα-helixtrans-61.8-41.1173.2-75.9-59.7-6900112.1R658 Q665 Q666R658-Q662 WeakPolarHBondContact O-CB 3.39Å; R658-Q662 WeakPolarHBondContact O-CG 3.25Å; R658-Q662 PolarHBondContact O-N 3.36Å; Q662-Q665 PolarHBondContact O-N 3.43Å; Q662-Q666 WeakPolarHBondContact O-CG 3.31Å; Q662-Q666 PolarHBondContact O-N 2.92Å
663H93.4Very high94.9Very high97 Ų97105.1 Ų105.145%0.44951%0.514SS..Hα-helixtrans-66.6-38.3173.4-68.2166.7000112.2L659 E660 E661 Q666 L667L659-H663 VanDerWaalsContact CD2-CE1 3.43Å; L659-H663 WeakPolarHBondContact CD2-CE1 3.43Å; L659-H663 PolarHBondContact O-N 3.15Å; L659-H663 VanDerWaalsContact O-N 3.08Å; E660-H663 PolarHBondContact O-N 2.98Å; E661-H663 PolarHBondContact O-N 2.84Å; H663-Q666 PolarHBondContact O-N 3.48Å; H663-L667 WeakPolarHBondContact O-CB 3.42Å; H663-L667 VanDerWaalsContact O-CG 3.31Å; H663-L667 WeakPolarHBondContact O-CG 3.15Å; H663-L667 PolarHBondContact O-N 3.14Å
664A95.3Very high94.9Very high55 Ų55104.9 Ų104.946%0.45551%0.513SS..Hα-helixtrans-64.2-40.5175.300000112.2E660 E661 L667 S668E660-A664 WeakPolarHBondContact O-CB 3.27Å; E660-A664 PolarHBondContact O-N 2.76Å; E661-A664 PolarHBondContact O-N 2.93Å; A664-L667 PolarHBondContact O-N 3.29Å; A664-S668 PolarHBondContact O-N 3.16Å; A664-S668 PolarHBondContact O-OG 2.86Å
665Q96.6Very high94.8Very high99 Ų99105.8 Ų105.846%0.46352%0.517SS..Hα-helixtrans-65.1-39.3174.8-72.4172.76.800112.6E661 Q662 L667 S668 L669E661-Q665 VanDerWaalsContact O-CG 3.31Å; E661-Q665 WeakPolarHBondContact O-CG 3.41Å; E661-Q665 PolarHBondContact O-N 2.85Å; Q662-Q665 PolarHBondContact O-N 3.43Å; Q665-L667 VanDerWaalsContact C-N 3.34Å; Q665-S668 PolarHBondContact O-OG 3.47Å; Q665-S668 VanDerWaalsContact O-OG 3.09Å; Q665-L669 WeakPolarHBondContact O-CB 3.31Å; Q665-L669 WeakPolarHBondContact O-CG 3.19Å; Q665-L669 PolarHBondContact O-N 3.25Å; Q665-L669 VanDerWaalsContact O-N 3.07Å
666Q94.3Very high94.9Very high122 Ų122107.5 Ų107.557%0.5752%0.517SS*.Hα-helixtrans-66.8-35.9174-71.4174.317.500112.2Q662 H663 L670Q662-Q666 WeakPolarHBondContact O-CG 3.31Å; Q662-Q666 PolarHBondContact O-N 2.92Å; H663-Q666 PolarHBondContact O-N 3.48Å; Q666-L670 PolarHBondContact O-N 3.42Å
667L96Very high95Very high104 Ų104104.3 Ų104.355%0.54551%0.51SS..Hα-helixtrans-72.2-39.9175.5-71.8170.2000112.4H663 A664 Q665 L670 I671H663-L667 WeakPolarHBondContact O-CB 3.42Å; H663-L667 VanDerWaalsContact O-CG 3.31Å; H663-L667 WeakPolarHBondContact O-CG 3.15Å; H663-L667 PolarHBondContact O-N 3.14Å; A664-L667 PolarHBondContact O-N 3.29Å; Q665-L667 VanDerWaalsContact C-N 3.34Å; L667-L670 PolarHBondContact O-N 2.85Å; L667-I671 WeakPolarHBondContact O-CD1 3.42Å; L667-I671 VanDerWaalsContact O-CG1 3.25Å; L667-I671 WeakPolarHBondContact O-CG1 3.49Å; L667-I671 PolarHBondContact O-N 3.11Å
668S94.8Very high94.7Very high66 Ų66103.4 Ų103.446%0.46251%0.508SS..Hα-helixtrans-67.6-38.7177.665.10000112.1A664 Q665 L670 I671 A672A664-S668 PolarHBondContact O-N 3.16Å; A664-S668 PolarHBondContact O-OG 2.86Å; Q665-S668 PolarHBondContact O-OG 3.47Å; Q665-S668 VanDerWaalsContact O-OG 3.09Å; S668-L670 VanDerWaalsContact C-N 3.34Å; S668-L670 PolarHBondContact O-N 3.45Å; S668-I671 PolarHBondContact O-N 2.87Å; S668-A672 WeakPolarHBondContact O-CB 3.25Å; S668-A672 PolarHBondContact O-N 3.06Å
669L97Very high94.7Very high126 Ų126100.6 Ų100.666%0.6650%0.501SS*.Hα-helixtrans-59.1-43171-78.6167.4000112.2Q665 E673Q665-L669 WeakPolarHBondContact O-CB 3.31Å; Q665-L669 WeakPolarHBondContact O-CG 3.19Å; Q665-L669 PolarHBondContact O-N 3.25Å; Q665-L669 VanDerWaalsContact O-N 3.07Å; L669-E673 WeakPolarHBondContact O-CB 3.4Å; L669-E673 PolarHBondContact O-N 3.27Å
670L95.8Very high94.7Very high100 Ų100102.7 Ų102.752%0.52450%0.501SS..Hα-helixtrans-67.9-37.5177.5-177.164.8000112.3Q666 L667 S668 E673 Q674Q666-L670 PolarHBondContact O-N 3.42Å; L667-L670 PolarHBondContact O-N 2.85Å; S668-L670 VanDerWaalsContact C-N 3.34Å; S668-L670 PolarHBondContact O-N 3.45Å; L670-E673 PolarHBondContact O-N 2.92Å; L670-Q674 PolarHBondContact O-N 3.33Å
671I94.2Very high94.7Very high108 Ų108101.6 Ų101.655%0.55450%0.499SS*.Hα-helixtrans-66.1-47.2175.4-70162.9000110.2L667 S668 E673 Q674 E675L667-I671 WeakPolarHBondContact O-CD1 3.42Å; L667-I671 VanDerWaalsContact O-CG1 3.25Å; L667-I671 WeakPolarHBondContact O-CG1 3.49Å; L667-I671 PolarHBondContact O-N 3.11Å; S668-I671 PolarHBondContact O-N 2.87Å; I671-E673 VanDerWaalsContact C-N 3.28Å; I671-E673 PolarHBondContact O-N 3.05Å; I671-Q674 PolarHBondContact O-N 2.59Å; I671-Q674 VanDerWaalsContact O-N 3.12Å; I671-E675 WeakPolarHBondContact O-CB 3.39Å; I671-E675 PolarHBondContact O-N 3.31Å
672A95.3Very high94.6Very high39 Ų39104.2 Ų104.232%0.32251%0.511SS..Hα-helixtrans-68.4-22.6177.200000113.5S668 R676S668-A672 WeakPolarHBondContact O-CB 3.25Å; S668-A672 PolarHBondContact O-N 3.06Å; A672-R676 VanDerWaalsContact O-CG 3.28Å; A672-R676 WeakPolarHBondContact O-CG 3.36Å; A672-R676 PolarHBondContact O-N 2.84Å; A672-R676 PolarHBondContact O-NE 2.96Å
673E94.5Very high94.5Very high111 Ų111105.3 Ų105.352%0.51952%0.515SS..Hα-helixtrans-72.8-45.5166.6-173.4170.4-126.200111.4L669 L670 I671 E675 R676 E677L669-E673 WeakPolarHBondContact O-CB 3.4Å; L669-E673 PolarHBondContact O-N 3.27Å; L670-E673 PolarHBondContact O-N 2.92Å; I671-E673 VanDerWaalsContact C-N 3.28Å; I671-E673 PolarHBondContact O-N 3.05Å; E673-E675 VanDerWaalsContact C-N 3.34Å; E673-E675 PolarHBondContact O-N 3.46Å; E673-R676 PolarHBondContact O-N 3.33Å; E673-E677 PolarHBondContact O-N 3.16Å; E673-E677 VanDerWaalsContact O-N 3.1Å
674Q95Very high94.6Very high122 Ų122104.8 Ų104.857%0.5751%0.512SS*.Hα-helixtrans-63.2-38.9176.5-166.7-172.4-70.700112.5L670 I671 E677 Q678L670-Q674 PolarHBondContact O-N 3.33Å; I671-Q674 PolarHBondContact O-N 2.59Å; I671-Q674 VanDerWaalsContact O-N 3.12Å; Q674-E677 PolarHBondContact O-N 2.85Å; Q674-Q678 WeakPolarHBondContact O-CG 3.25Å; Q674-Q678 PolarHBondContact O-N 3.48Å
675E93.6Very high94.5Very high114 Ų114107.6 Ų107.653%0.53352%0.518SS..Hα-helixtrans-66.1-45.3178.4-173.5165.1-139.300111.5I671 E673 E677 Q678 E679I671-E675 WeakPolarHBondContact O-CB 3.39Å; I671-E675 PolarHBondContact O-N 3.31Å; E673-E675 VanDerWaalsContact C-N 3.34Å; E673-E675 PolarHBondContact O-N 3.46Å; E675-E677 VanDerWaalsContact C-N 3.33Å; E675-E677 PolarHBondContact O-N 3.44Å; E675-Q678 WeakPolarHBondContact O-CA 3.39Å; E675-Q678 WeakPolarHBondContact O-CB 3.28Å; E675-Q678 PolarHBondContact O-N 2.88Å; E675-E679 PolarHBondContact O-N 2.64Å
676R95.9Very high94.5Very high156 Ų156109.4 Ų109.459%0.58953%0.527SS*.Hα-helixtrans-63.7-34.2174.4-73.7178.8-62.5151.56113.3A672 E673 R680A672-R676 VanDerWaalsContact O-CG 3.28Å; A672-R676 WeakPolarHBondContact O-CG 3.36Å; A672-R676 PolarHBondContact O-N 2.84Å; A672-R676 PolarHBondContact O-NE 2.96Å; E673-R676 PolarHBondContact O-N 3.33Å; R676-R680 VanDerWaalsContact O-CB 3.29Å; R676-R680 WeakPolarHBondContact O-CB 3.46Å; R676-R680 PolarHBondContact O-N 3.06Å
677E92.4Very high94.5Very high110 Ų110109.2 Ų109.251%0.51453%0.526SS..Hα-helixtrans-70.7-32.7171.7-73.9-66.9159.600112.2E673 Q674 E675 R680 L681E673-E677 PolarHBondContact O-N 3.16Å; E673-E677 VanDerWaalsContact O-N 3.1Å; Q674-E677 PolarHBondContact O-N 2.85Å; E675-E677 VanDerWaalsContact C-N 3.33Å; E675-E677 PolarHBondContact O-N 3.44Å; E677-R680 PolarHBondContact O-N 3.23Å; E677-L681 WeakPolarHBondContact O-CG 3.14Å; E677-L681 PolarHBondContact O-N 3.5Å
678Q88.9Confident94.2Very high108 Ų108109.4 Ų109.451%0.50552%0.524SS..Hα-helixtrans-68.2-45.5172.1-74.9179.9-8.300112Q674 E675 R680 L681 Q682Q674-Q678 WeakPolarHBondContact O-CG 3.25Å; Q674-Q678 PolarHBondContact O-N 3.48Å; E675-Q678 WeakPolarHBondContact O-CA 3.39Å; E675-Q678 WeakPolarHBondContact O-CB 3.28Å; E675-Q678 PolarHBondContact O-N 2.88Å; Q678-R680 VanDerWaalsContact C-N 3.31Å; Q678-R680 PolarHBondContact O-N 3.33Å; Q678-L681 PolarHBondContact O-N 2.66Å; Q678-Q682 WeakPolarHBondContact O-CG 3.36Å; Q678-Q682 PolarHBondContact O-N 3.47Å
679E93.9Very high94Very high83 Ų83111 Ų11139%0.38852%0.524SS..Hα-helixtrans-57.7-43.7171.1-80.3-169.1-143.600112E675 L681 Q682 K683E675-E679 PolarHBondContact O-N 2.64Å; E679-L681 VanDerWaalsContact C-N 3.33Å; E679-L681 PolarHBondContact O-N 2.67Å; E679-Q682 PolarHBondContact O-N 3.43Å; E679-K683 WeakPolarHBondContact O-CB 3.47Å; E679-K683 WeakPolarHBondContact O-CG 3.27Å; E679-K683 PolarHBondContact O-N 2.84Å; E679-K683 IonicContact OE2-NZ 2.67Å; E679-K683 PolarHBondContact OE2-NZ 2.97Å
680R96.6Very high93.8Very high144 Ų144111.4 Ų111.454%0.54352%0.521SS..Hα-helixtrans-57.5-48178.2-177.8-170.6167.371.328.9110.6R676 E677 Q678 K683 E684R676-R680 VanDerWaalsContact O-CB 3.29Å; R676-R680 WeakPolarHBondContact O-CB 3.46Å; R676-R680 PolarHBondContact O-N 3.06Å; E677-R680 PolarHBondContact O-N 3.23Å; Q678-R680 VanDerWaalsContact C-N 3.31Å; Q678-R680 PolarHBondContact O-N 3.33Å; R680-K683 PolarHBondContact O-N 3.46Å; R680-E684 IonicContact NH2-OE2 2.65Å; R680-E684 PolarHBondContact NH2-OE2 3.49Å; R680-E684 WeakPolarHBondContact O-CB 3.27Å; R680-E684 PolarHBondContact O-N 3.3Å
681L94Very high93.5Very high99 Ų99109.8 Ų109.852%0.51851%0.511SS..Hα-helixtrans-66.3-36178.4-70.7169.4000112.4E677 Q678 E679 I685E677-L681 WeakPolarHBondContact O-CG 3.14Å; E677-L681 PolarHBondContact O-N 3.5Å; Q678-L681 PolarHBondContact O-N 2.66Å; E679-L681 VanDerWaalsContact C-N 3.33Å; E679-L681 PolarHBondContact O-N 2.67Å; L681-I685 WeakPolarHBondContact O-CD1 3.38Å; L681-I685 VanDerWaalsContact O-CG1 3.22Å; L681-I685 WeakPolarHBondContact O-CG1 3.45Å; L681-I685 PolarHBondContact O-N 3Å
682Q92Very high93Very high131 Ų131109.9 Ų109.961%0.61251%0.512SS*.Hα-helixtrans-64.7-45.7173.7-74.8175.9-11.200111.9Q678 E679 E684 I685 E686Q678-Q682 WeakPolarHBondContact O-CG 3.36Å; Q678-Q682 PolarHBondContact O-N 3.47Å; E679-Q682 PolarHBondContact O-N 3.43Å; Q682-E684 VanDerWaalsContact C-N 3.34Å; Q682-E684 PolarHBondContact O-N 2.79Å; Q682-I685 PolarHBondContact O-N 3.09Å; Q682-E686 WeakPolarHBondContact O-CB 3.46Å; Q682-E686 PolarHBondContact O-N 3.1Å
683K94.9Very high92.6Very high118 Ų118113.8 Ų113.851%0.51352%0.522SS..Hα-helixtrans-63.4-38.6176.4-73.1161.7179.3164.90111.8E679 R680 E686 E687E679-K683 WeakPolarHBondContact O-CB 3.47Å; E679-K683 WeakPolarHBondContact O-CG 3.27Å; E679-K683 PolarHBondContact O-N 2.84Å; E679-K683 IonicContact OE2-NZ 2.67Å; E679-K683 PolarHBondContact OE2-NZ 2.97Å; R680-K683 PolarHBondContact O-N 3.46Å; K683-E686 PolarHBondContact O-N 3.12Å; K683-E687 WeakPolarHBondContact O-CB 3.27Å; K683-E687 PolarHBondContact O-N 2.71Å
684E95Very high92.1Very high85 Ų85112.4 Ų112.440%0.39752%0.516SS..Hα-helixtrans-67.8-35.2174.5-163.5167.7147.900111.7R680 Q682 Q688R680-E684 IonicContact NH2-OE2 2.65Å; R680-E684 PolarHBondContact NH2-OE2 3.49Å; R680-E684 WeakPolarHBondContact O-CB 3.27Å; R680-E684 PolarHBondContact O-N 3.3Å; Q682-E684 VanDerWaalsContact C-N 3.34Å; Q682-E684 PolarHBondContact O-N 2.79Å; E684-Q688 VanDerWaalsContact O-CG 3.3Å; E684-Q688 WeakPolarHBondContact O-CG 3.45Å; E684-Q688 PolarHBondContact O-N 3.3Å
685I94.6Very high91.6Very high114 Ų114111.7 Ų111.759%0.58551%0.51SS*.Hα-helixtrans-67.4-44.8172.1-70.9163.1000111.4L681 Q682 E687 Q688 E689L681-I685 WeakPolarHBondContact O-CD1 3.38Å; L681-I685 VanDerWaalsContact O-CG1 3.22Å; L681-I685 WeakPolarHBondContact O-CG1 3.45Å; L681-I685 PolarHBondContact O-N 3Å; Q682-I685 PolarHBondContact O-N 3.09Å; I685-E687 VanDerWaalsContact C-N 3.33Å; I685-E687 PolarHBondContact O-N 3.36Å; I685-Q688 PolarHBondContact O-N 3.35Å; I685-E689 PolarHBondContact O-N 2.91Å
686E95.7Very high91.1Very high137 Ų137114.1 Ų114.164%0.6452%0.519SS*.Hα-helixtrans-62.3-39.8176.7-176.2176.5-16300111.5Q682 K683 E689 K690Q682-E686 WeakPolarHBondContact O-CB 3.46Å; Q682-E686 PolarHBondContact O-N 3.1Å; K683-E686 PolarHBondContact O-N 3.12Å; E686-E689 PolarHBondContact O-N 2.95Å; E686-K690 WeakPolarHBondContact O-CB 3.48Å; E686-K690 PolarHBondContact O-N 3.21Å
687E93.6Very high90.1Very high118 Ų118108.6 Ų108.655%0.55151%0.507SS*.Hα-helixtrans-63.8-44.1173.2-174178.6-169.700111.7K683 I685 E689 K690 M691K683-E687 WeakPolarHBondContact O-CB 3.27Å; K683-E687 PolarHBondContact O-N 2.71Å; I685-E687 VanDerWaalsContact C-N 3.33Å; I685-E687 PolarHBondContact O-N 3.36Å; E687-E689 VanDerWaalsContact C-N 3.32Å; E687-E689 PolarHBondContact O-N 2.8Å; E687-K690 PolarHBondContact O-N 2.9Å; E687-M691 WeakPolarHBondContact O-CB 3.31Å; E687-M691 VanDerWaalsContact O-CG 3.27Å; E687-M691 WeakPolarHBondContact O-CG 3.46Å; E687-M691 PolarHBondContact O-N 2.94Å
688Q91.2Very high89.1Confident109 Ų109108 Ų10851%0.50951%0.506SS..Hα-helixtrans-62.2-38.6173.4-68.2-59.9-45.600112E684 I685 M691 L692E684-Q688 VanDerWaalsContact O-CG 3.3Å; E684-Q688 WeakPolarHBondContact O-CG 3.45Å; E684-Q688 PolarHBondContact O-N 3.3Å; I685-Q688 PolarHBondContact O-N 3.35Å; Q688-M691 PolarHBondContact O-N 2.82Å; Q688-L692 WeakPolarHBondContact O-CB 3.29Å; Q688-L692 VanDerWaalsContact O-CG 3.29Å; Q688-L692 WeakPolarHBondContact O-CG 3.43Å; Q688-L692 PolarHBondContact O-N 3.35Å
689E90.9Very high87.7Confident100 Ų100107.7 Ų107.747%0.46751%0.511SS..Hα-helixtrans-68-40.9175.7-162.1-173.7144.200111.7I685 E686 E687 L692 K693I685-E689 PolarHBondContact O-N 2.91Å; E686-E689 PolarHBondContact O-N 2.95Å; E687-E689 VanDerWaalsContact C-N 3.32Å; E687-E689 PolarHBondContact O-N 2.8Å; E689-L692 PolarHBondContact O-N 3.2Å; E689-K693 HydrophobicContact CG-CD 4.49Å; E689-K693 WeakPolarHBondContact O-CG 3.44Å; E689-K693 PolarHBondContact O-N 3.08Å; E689-K693 WeakPolarHBondContact OE1-CE 3.34Å; E689-K693 IonicContact OE1-NZ 2.84Å; E689-K693 PolarHBondContact OE1-NZ 3.08Å
690K91.9Very high86.1Confident133 Ų133106 Ų10658%0.57851%0.511SS*.Hα-helixtrans-60.1-49.2172.6-174.5-171.6172-168.90110.7E686 E687 L692 K693 E694E686-K690 WeakPolarHBondContact O-CB 3.48Å; E686-K690 PolarHBondContact O-N 3.21Å; E687-K690 PolarHBondContact O-N 2.9Å; K690-L692 PolarHBondContact O-N 3.36Å; K690-K693 CarbonylContact O-C 3.57Å; K690-K693 WeakPolarHBondContact O-CB 3.39Å; K690-K693 PolarHBondContact O-N 2.9Å; K690-E694 WeakPolarHBondContact O-CB 3.49Å; K690-E694 PolarHBondContact O-N 3.03Å
691M88.6Confident84Confident66 Ų66105 Ų10533%0.32551%0.513SS..Hα-helixtrans-60.6-29.2176.7-72.3-60.7-6100112.7E687 Q688 K695E687-M691 WeakPolarHBondContact O-CB 3.31Å; E687-M691 VanDerWaalsContact O-CG 3.27Å; E687-M691 WeakPolarHBondContact O-CG 3.46Å; E687-M691 PolarHBondContact O-N 2.94Å; Q688-M691 PolarHBondContact O-N 2.82Å; M691-K695 WeakPolarHBondContact O-CB 3.46Å; M691-K695 VanDerWaalsContact O-CD 3.22Å; M691-K695 WeakPolarHBondContact O-CD 3.27Å; M691-K695 WeakPolarHBondContact O-CG 3.3Å; M691-K695 PolarHBondContact O-N 2.95Å; M691-K695 VanDerWaalsContact O-N 3.13Å
692L84.8Confident81.9Confident110 Ų110105.8 Ų105.858%0.57652%0.522SS*.Hα-helixtrans-77.9-36.4173.1-74.7167.9000112.7Q688 E689 K690 K696Q688-L692 WeakPolarHBondContact O-CB 3.29Å; Q688-L692 VanDerWaalsContact O-CG 3.29Å; Q688-L692 WeakPolarHBondContact O-CG 3.43Å; Q688-L692 PolarHBondContact O-N 3.35Å; E689-L692 PolarHBondContact O-N 3.2Å; K690-L692 PolarHBondContact O-N 3.36Å; L692-K696 PolarHBondContact O-N 3.24Å
693K86.6Confident79.9Confident122 Ų122103.4 Ų103.453%0.5352%0.52SS..Hα-helixtrans-66.1-42.6172-72.9167.7-178.7164.20111.6E689 K690 K696 A697E689-K693 HydrophobicContact CG-CD 4.49Å; E689-K693 WeakPolarHBondContact O-CG 3.44Å; E689-K693 PolarHBondContact O-N 3.08Å; E689-K693 WeakPolarHBondContact OE1-CE 3.34Å; E689-K693 IonicContact OE1-NZ 2.84Å; E689-K693 PolarHBondContact OE1-NZ 3.08Å; K690-K693 CarbonylContact O-C 3.57Å; K690-K693 WeakPolarHBondContact O-CB 3.39Å; K690-K693 PolarHBondContact O-N 2.9Å; K693-K696 CarbonylContact O-C 3.56Å; K693-K696 WeakPolarHBondContact O-CA 3.29Å; K693-K696 WeakPolarHBondContact O-CB 3.36Å; K693-K696 PolarHBondContact O-N 3.47Å; K693-A697 PolarHBondContact O-N 3.07Å
694E85.1Confident77.5Confident82 Ų82104.2 Ų104.238%0.38353%0.525SS..Hα-helixtrans-65.4-43.7177.3-168-179122.700111.6K690 K696 A697 M698K690-E694 WeakPolarHBondContact O-CB 3.49Å; K690-E694 PolarHBondContact O-N 3.03Å; E694-K696 VanDerWaalsContact C-N 3.3Å; E694-K696 PolarHBondContact O-N 3.16Å; E694-A697 PolarHBondContact O-N 2.83Å; E694-A697 VanDerWaalsContact O-N 3.13Å; E694-M698 HydrophobicContact CG-CE 4.41Å; E694-M698 PolarHBondContact O-N 2.95Å
695K83.4Confident75Confident106 Ų106108.3 Ų108.346%0.46155%0.549SS..Hα-helixtrans-61.4-36.9170.9-74.2164.9-168.41650112.3M691 M698 T699M691-K695 WeakPolarHBondContact O-CB 3.46Å; M691-K695 VanDerWaalsContact O-CD 3.22Å; M691-K695 WeakPolarHBondContact O-CD 3.27Å; M691-K695 WeakPolarHBondContact O-CG 3.3Å; M691-K695 PolarHBondContact O-N 2.95Å; M691-K695 VanDerWaalsContact O-N 3.13Å; K695-M698 HydrophobicContact CG-CE 4.37Å; K695-T699 WeakPolarHBondContact O-CB 3.46Å; K695-T699 PolarHBondContact O-N 3.36Å; K695-T699 VanDerWaalsContact O-N 3.14Å; K695-T699 PolarHBondContact O-OG1 2.86Å
696K83.1Confident72Confident165 Ų165110.4 Ų110.472%0.71756%0.561SS**Hα-helixtrans-66-41.5171-88.2-172.6170.7-172.30112.5L692 K693 E694 T699 A700L692-K696 PolarHBondContact O-N 3.24Å; K693-K696 CarbonylContact O-C 3.56Å; K693-K696 WeakPolarHBondContact O-CA 3.29Å; K693-K696 WeakPolarHBondContact O-CB 3.36Å; K693-K696 PolarHBondContact O-N 3.47Å; E694-K696 VanDerWaalsContact C-N 3.3Å; E694-K696 PolarHBondContact O-N 3.16Å; K696-T699 WeakPolarHBondContact O-CB 3.38Å; K696-T699 PolarHBondContact O-N 3.2Å; K696-A700 PolarHBondContact O-N 3.39Å
697A76Confident69.4Low41 Ų41109.5 Ų109.534%0.33956%0.56SS.*Hα-helixtrans-62.8-50.2178.100000111.2K693 E694 T699 A700 E701K693-A697 PolarHBondContact O-N 3.07Å; E694-A697 PolarHBondContact O-N 2.83Å; E694-A697 VanDerWaalsContact O-N 3.13Å; A697-T699 PolarHBondContact O-N 3.12Å; A697-A700 CarbonylContact O-C 3.5Å; A697-A700 WeakPolarHBondContact O-CA 3.49Å; A697-A700 WeakPolarHBondContact O-CB 3.13Å; A697-A700 PolarHBondContact O-N 3.5Å; A697-E701 PolarHBondContact O-N 3.06Å
698M69.6Low66.5Low98 Ų98111 Ų11148%0.48357%0.571SS.*Hα-helixtrans-59.4-30.6173.8-70.4-171.7-72.700112.9E694 K695 A700 T702E694-M698 HydrophobicContact CG-CE 4.41Å; E694-M698 PolarHBondContact O-N 2.95Å; K695-M698 HydrophobicContact CG-CE 4.37Å; M698-A700 VanDerWaalsContact C-N 3.33Å; M698-T702 WeakPolarHBondContact O-CG2 3.29Å; M698-T702 PolarHBondContact O-N 2.83Å; M698-T702 PolarHBondContact O-OG1 3.03Å
699T61.2Low63.6Low101 Ų101111.6 Ų111.662%0.6259%0.588SS**Hα-helixtrans-73.8-23.6174.1-51.80000112.5K695 K696 A697 T702K695-T699 WeakPolarHBondContact O-CB 3.46Å; K695-T699 PolarHBondContact O-N 3.36Å; K695-T699 VanDerWaalsContact O-N 3.14Å; K695-T699 PolarHBondContact O-OG1 2.86Å; K696-T699 WeakPolarHBondContact O-CB 3.38Å; K696-T699 PolarHBondContact O-N 3.2Å; A697-T699 PolarHBondContact O-N 3.12Å; T699-T702 WeakPolarHBondContact CA-OG1 3.47Å; T699-T702 PolarHBondContact O-OG1 3.18Å; T699-T702 VanDerWaalsContact O-OG1 3.12Å
700A59Low61Low47 Ų47111.5 Ų111.539%0.38860%0.604SS.*Hα-helixtrans-86.3-42.4175.200000112.1K696 A697 M698 T702 S703 E704K696-A700 PolarHBondContact O-N 3.39Å; A697-A700 CarbonylContact O-C 3.5Å; A697-A700 WeakPolarHBondContact O-CA 3.49Å; A697-A700 WeakPolarHBondContact O-CB 3.13Å; A697-A700 PolarHBondContact O-N 3.5Å; M698-A700 VanDerWaalsContact C-N 3.33Å; A700-T702 VanDerWaalsContact C-N 3.27Å; A700-T702 PolarHBondContact O-N 2.87Å; A700-S703 WeakPolarHBondContact O-CA 3.27Å; A700-S703 WeakPolarHBondContact O-CB 3.48Å; A700-S703 PolarHBondContact O-N 3.14Å; A700-S703 PolarHBondContact O-OG 2.88Å; A700-E704 PolarHBondContact O-N 2.77Å
701E53.5Low58.1Low123 Ų123111.9 Ų111.958%0.57562%0.617SS**Hα-helixtrans-61.6-35.3175.1-70.5168.3-160.100111.3A697 S703 E704A697-E701 PolarHBondContact O-N 3.06Å; E701-S703 PolarHBondContact O-N 3.22Å; E701-E704 PolarHBondContact O-N 3.03Å; E701-E704 VanDerWaalsContact O-N 3.16Å
702T49.6Very low55.4Low116 Ų116116.7 Ų116.771%0.71264%0.639SS**THydrogen-bonded Turntrans-67.5-0.3169.351.70000115M698 T699 A700M698-T702 WeakPolarHBondContact O-CG2 3.29Å; M698-T702 PolarHBondContact O-N 2.83Å; M698-T702 PolarHBondContact O-OG1 3.03Å; T699-T702 WeakPolarHBondContact CA-OG1 3.47Å; T699-T702 PolarHBondContact O-OG1 3.18Å; T699-T702 VanDerWaalsContact O-OG1 3.12Å; A700-T702 VanDerWaalsContact C-N 3.27Å; A700-T702 PolarHBondContact O-N 2.87Å
703S50.3Low53Low80 Ų80118.2 Ų118.256%0.55965%0.647SS**THydrogen-bonded Turntrans-111.3-1.717267.10000114.4A700 E701A700-S703 WeakPolarHBondContact O-CA 3.27Å; A700-S703 WeakPolarHBondContact O-CB 3.48Å; A700-S703 PolarHBondContact O-N 3.14Å; A700-S703 PolarHBondContact O-OG 2.88Å; E701-S703 PolarHBondContact O-N 3.22Å
704E42.9Very low50.5Low135 Ų135117.5 Ų117.563%0.63165%0.645SS**THydrogen-bonded Turntrans-88.62.7178.8-64.3-167.515700114A700 E701 I707A700-E704 PolarHBondContact O-N 2.77Å; E701-E704 PolarHBondContact O-N 3.03Å; E701-E704 VanDerWaalsContact O-N 3.16Å; E704-I707 WeakPolarHBondContact O-CD1 3.36Å; E704-I707 WeakPolarHBondContact O-CG1 3.31Å
705L42.9Very low47.7Very low171 Ų171125.9 Ų125.990%0.89567%0.674SS**THydrogen-bonded Turntrans-1005.4176.5-75.7176.6000114.9
706D32.3Very low45.3Very low159 Ų159132.4 Ų132.485%0.8570%0.695SS**SBendtrans-131.867.2179-15810.3000110.6
707I41Very low42.7Very low118 Ų118131.8 Ų131.861%0.60569%0.693SS**  trans-101.5140.9-173.8-38.8-179.3000111E704E704-I707 WeakPolarHBondContact O-CD1 3.36Å; E704-I707 WeakPolarHBondContact O-CG1 3.31Å
708N31.8Very low40.6Very low148 Ų148136 Ų13679%0.79171%0.709SS**  trans91.972.6165.9-49.7-69.8000118
709S31.6Very low38.8Very low122 Ų122137.5 Ų137.585%0.85373%0.728SS**SBend-118115.8129.271.30000108.2V711S709-V711 PolarHBondContact O-N 2.78Å
710A34.8Very low37.1Very low98 Ų98139.2 Ų139.281%0.8173%0.734SS**  trans-80.9120.6-163.100000113.3
711V31.8Very low35.8Very low142 Ų142143.1 Ų143.186%0.86176%0.758SS**  -136.4116.9120.4-179.60000107.4S709S709-V711 PolarHBondContact O-N 2.78Å
712E33Very low34.5Very low166 Ų166142.1 Ų142.178%0.77677%0.765SS**  trans-92.2170.5172.6-156.5-172.5151.800110.1
713L32.5Very low33.5Very low142 Ų142143.8 Ų143.874%0.74377%0.769SS**  trans70.8141.3-176.6-70.581.5000115
714E34Very low32.5Very low107 Ų107147.2 Ų147.250%0.578%0.78SS.*  cis-155.4113.9-10.9173.5170.2-144.200109K717E714-K717 WeakPolarHBondContact OE1-CD 3.36Å; E714-K717 IonicContact OE1-NZ 3.33Å; E714-K717 PolarHBondContact OE1-NZ 3.07Å
715W26.9Very low31.8Very low259 Ų259149.7 Ų149.798%0.98179%0.791SS**SBendtrans-134.521.5174.8-81110.2000114.2
716R32.6Very low31.1Very low242 Ų242146.9 Ų146.991%0.91378%0.781SS**  trans-131.378.9162.2-84.5-155.6-71.2-165.7-5.2111.7
717K29.7Very low30.8Very low153 Ų153146.5 Ų146.567%0.66578%0.776SS**  trans-149.1147.6153.5-113.3179.9-154.7148.30111.8E714E714-K717 WeakPolarHBondContact OE1-CD 3.36Å; E714-K717 IonicContact OE1-NZ 3.33Å; E714-K717 PolarHBondContact OE1-NZ 3.07Å
718I31.1Very low30.1Very low130 Ų130148.4 Ų148.467%0.66779%0.787SS**  trans64.491.3158.8-55.1161.5000115.2D720I718-D720 HydrophobicContact CG2-CB 3.69Å; I718-D720 PolarHBondContact O-N 2.9Å
719S32.7Very low30.1Very low128 Ų128146 Ų14690%0.89578%0.782SS**  trans-82.984.5146.7-66.10000108.8
720D25.7Very low29.7Very low137 Ų137148.4 Ų148.473%0.73378%0.779SS**  trans-137.1120.9164.9-80.7-60.2000109.6I718 S722I718-D720 HydrophobicContact CG2-CB 3.69Å; I718-D720 PolarHBondContact O-N 2.9Å; D720-S722 PolarHBondContact O-N 3.13Å
721S31.9Very low29.3Very low129 Ų129147.9 Ų147.990%0.90278%0.775SS**  trans-10084.2-173.762.20000111.8
722S25.6Very low29Very low102 Ų102148.6 Ų148.671%0.71377%0.774SS**  trans-145.6128.516562.90000113.5D720D720-S722 PolarHBondContact O-N 3.13Å
723L28.2Very low28.6Very low152 Ų152145.8 Ų145.880%0.79677%0.773SS**  trans6192.1146.2-151.3171.5000117.2
724L29.3Very low28.3Very low152 Ų152145.7 Ų145.780%0.79677%0.772SS**  -167.584.6124.1-104.4174.1000112.5
725E28.1Very low28Very low186 Ų186148.1 Ų148.187%0.86978%0.783SS**  trans-90.3121.7143.5173.2178.2-152.300106.7
726T29.3Very low27.8Very low112 Ų112141.7 Ų141.769%0.68777%0.773SS**  trans175.6118.2152.8-79.10000110.1
727M25.3Very low27.4Very low152 Ų152135 Ų13575%0.74976%0.764SS**  trans57108.3160.4-59.8-64.1152.200119.9
728L25.5Very low27.2Very low158 Ų158134.7 Ų134.783%0.82777%0.769SS**  -147.295.197.9-17064.1000111.4
729S31.8Very low27.1Very low98 Ų98134.3 Ų134.369%0.68578%0.778SS**  trans-108.583.6172.2560000110.2
730Q24.8Very low26.9Very low171 Ų171135.8 Ų135.880%0.79978%0.776SS**  trans-157.5145.2168.5-108.5174.3-12.600108.1
731A25.2Very low27.1Very low88 Ų88134.2 Ų134.273%0.72778%0.776SS**  cis-142.9169.23.500000111.8
732D25Very low26.9Very low157 Ų157133.5 Ų133.584%0.8477%0.771SS**  trans-67152.2179.6-50.8-97000114.2
733S25Very low26.9Very low107 Ų107131.9 Ų131.975%0.74877%0.77SS**  trans-158.499139.9-162.60000113.9
734L26.4Very low26.9Very low139 Ų139133.9 Ų133.973%0.72877%0.773SS**  trans40.8117130.4-52.7-179.4000121.4
735H27.2Very low26.9Very low158 Ų158131.5 Ų131.573%0.73177%0.765SS**  78.6130.8123.1-78-47.7000124.9
736T22.9Very low26.9Very low124 Ų124130 Ų13076%0.76176%0.763SS**  98.5148.412850.90000123.4
737S25.6Very low26.7Very low103 Ų103130.3 Ų130.372%0.7277%0.769SS**  trans75.297163.3-58.20000116.8
738N25.5Very low26.7Very low145 Ų145126.8 Ų126.878%0.77576%0.764SS**  66.5113.570.2-71.8-11.1000115.3
739S29.3Very low26.9Very low123 Ų123127 Ų12786%0.8677%0.765SS**  -163.2152.4115.2-83.30000111.5
740N28Very low26.7Very low158 Ų158129.5 Ų129.585%0.84577%0.766SS**  trans-110.6145.7-169-57.9-53.5000112.6
741S28.9Very low26.8Very low104 Ų104131.2 Ų131.273%0.72777%0.767SS**  trans-165.6105.2148.2-176.20000108.4
742S28.6Very low26.8Very low114 Ų114131.3 Ų131.380%0.79776%0.762SS**  40.7126.889.759.60000115.2
743G26.3Very low26.9Very low68 Ų68133.2 Ų133.270%0.70176%0.763SS**  cis171.4-167.3-3.400000113.1
744F26.9Very low27.1Very low194 Ų194134.7 Ų134.785%0.85177%0.768SS**  trans71.699.2167.6-81.7-94.7000121.3
745T29Very low27.3Very low102 Ų102132.7 Ų132.763%0.62677%0.766SS**  48.6120.5125.961.20000122.8
746N27.7Very low27.5Very low155 Ų155129.7 Ų129.783%0.82977%0.768SS**  34122.3122.2-49.2-22.7000119.8
747S25.4Very low27.9Very low119 Ų119130.7 Ų130.783%0.83277%0.769SS**  176.5145.295.9-162.90000114.8
748A25.4Very low28.3Very low77 Ų77135.3 Ų135.364%0.63678%0.779SS**  trans36.9120.2149.300000123.8
749L30.6Very low28.6Very low162 Ų162132.5 Ų132.585%0.84878%0.776SS**  59.9123.2128.3-60.5170.3000120.9
750Q27.4Very low29.1Very low152 Ų152132.7 Ų132.771%0.7177%0.774SS**  -17815095.5-96-175.5900112.9
751Y26.4Very low29.4Very low206 Ų206133.6 Ų133.681%0.80877%0.771SS**  trans60.9150.2165.3-64.6-58.3000118.3
752S24.9Very low30Very low91 Ų91138.2 Ų138.264%0.63677%0.774SS**  cis-156.5162.8-14.7-170.40000110.6
753F27.3Very low30.3Very low196 Ų196139.5 Ų139.586%0.8677%0.771SS**  trans5115.5163.1-83.4-107.1000120
754V29.5Very low30.7Very low139 Ų139147.7 Ų147.784%0.84278%0.781SS**  -142.3134.7129.1173.10000108.8
755S31Very low30.9Very low97 Ų97141.4 Ų141.468%0.67877%0.771SS**  trans-90.3116.2167.6-177.20000110
756A30.1Very low31.3Very low95 Ų95141.7 Ų141.779%0.78578%0.777SS**  trans-91101.3172.800000109.8E758A756-E758 PolarHBondContact O-N 3.39Å
757N32.6Very low31.5Very low145 Ų145140.6 Ų140.678%0.77578%0.782SS**  trans-75.5116.5170.1-72.6-54.2000109.6A759N757-A759 PolarHBondContact O-N 2.81Å; N757-A759 VanDerWaalsContact O-N 3.09Å
758E34.3Very low31.9Very low199 Ų199141.3 Ų141.393%0.9378%0.781SS**  trans-62.8107.8161.2-76.9-175.2119.700109.4A756A756-E758 PolarHBondContact O-N 3.39Å
759A31Very low32.2Very low87 Ų87143.5 Ų143.572%0.71979%0.792SS**PPolyproline II helixtrans-93.5124.6165.400000108.3N757 F761N757-A759 PolarHBondContact O-N 2.81Å; N757-A759 VanDerWaalsContact O-N 3.09Å; A759-F761 PolarHBondContact O-N 3.19Å
760P40.7Very low32.5Very low127 Ų127139.6 Ų139.683%0.82579%0.791SS**PPolyproline II helixtrans-68.2132-17526.7-33.9000111.7Y762P760-Y762 PolarHBondContact O-N 3.04Å
761F34.2Very low32.8Very low176 Ų176140.2 Ų140.277%0.77280%0.798SS**PPolyproline II helixtrans-48.1121.3168.3-177.7-91.1000111.6A759A759-F761 PolarHBondContact O-N 3.19Å
762Y39.9Very low33Very low202 Ų202136.2 Ų136.279%0.79280%0.796SS**  trans-174.4149.5138.1-91.3-54.8000112.8P760P760-Y762 PolarHBondContact O-N 3.04Å
763L35.8Very low33.5Very low141 Ų141142 Ų14274%0.73881%0.809SS**  trans87.3126.4155.4-116.872.8000120.5
764W35.1Very low33.8Very low239 Ų239140.3 Ų140.391%0.90581%0.808SS**  trans67.4139.4172.8-61.473.7000117.8
765G31Very low34.3Very low63 Ų63139.4 Ų139.465%0.64981%0.808SS**  cis147.882.6-2.800000112.6
766S36.4Very low34.3Very low107 Ų107141.5 Ų141.575%0.74882%0.817SS**  trans2.6132.8173.3-54.70000120.7
767S32.4Very low34.5Very low132 Ų132143.2 Ų143.292%0.92382%0.817SS**  trans-125.8114.7137.6-74.90000109.1
768T34.7Very low34.8Very low135 Ų135145.1 Ų145.183%0.82881%0.814SS**  trans-103.4119.2175.443.80000109.6
769S30.9Very low35.1Very low123 Ų123141 Ų14186%0.8680%0.804SS**  trans-133.9122.1160.9-178.90000106.7
770G38Very low35.6Very low80 Ų80145 Ų14583%0.82581%0.806SS**  trans-93.6120-175.600000110.9
771L31.8Very low35.2Very low164 Ų164142 Ų14286%0.85980%0.798SS**  trans-136.3151155.4-167.856.8000109.1
772T32.3Very low36Very low123 Ų123144.9 Ų144.976%0.75580%0.803SS**  trans-65.3134-161.439.70000113.8
773K34.2Very low35.8Very low211 Ų211139.6 Ų139.692%0.91780%0.801SS**  trans-84.7106161.5-78.3-177.4178.3174.50109.4
774L33.7Very low36.3Very low162 Ų162141.4 Ų141.485%0.84880%0.803SS**  trans-92.7144.6145.6-74.4174.1000109.1
775S39.7Very low36.9Very low120 Ų120135.2 Ų135.284%0.83979%0.792SS**  trans-80.4120.7-170.352.80000112.5
776V30.8Very low37.6Very low141 Ų141140.3 Ų140.386%0.85579%0.791SS**  trans-129.2142.9163.8-178.20000109.7
777T34.6Very low38.1Very low131 Ų131144.8 Ų144.880%0.80479%0.792SS**PPolyproline II helixtrans-65.8143.8-166.7-45.40000114P779T777-P779 WeakPolarHBondContact O-CD 3.38Å
778R38.9Very low39.2Very low184 Ų184143.1 Ų143.169%0.69478%0.78SS**PPolyproline II helixtrans-78125.8178.6177.8-170-164.4166.66.6112.8F780R778-F780 HydrophobicContact CG-CD2 4.35Å; R778-F780 VanDerWaalsContact NH2-CE1 3.29Å
779P40.9Very low40.4Very low112 Ų112142.5 Ų142.573%0.72777%0.768SS**PPolyproline II helixtrans-90.3137.4147.832.8-30.1000110.6T777 G781T777-P779 WeakPolarHBondContact O-CD 3.38Å; P779-G781 VanDerWaalsContact C-N 3.29Å; P779-G781 PolarHBondContact O-N 3.13Å
780F41.3Very low41.3Very low173 Ų173142.9 Ų142.976%0.75977%0.765SS**  trans-77.175.4173.6-92.1-97.3000111.3R778R778-F780 HydrophobicContact CG-CD2 4.35Å; R778-F780 VanDerWaalsContact NH2-CE1 3.29Å
781G32.6Very low42.4Very low63 Ų63143.1 Ų143.165%0.64974%0.743SS**  trans-86.8122.9170.800000112.1P779 A783P779-G781 VanDerWaalsContact C-N 3.29Å; P779-G781 PolarHBondContact O-N 3.13Å; G781-A783 VanDerWaalsContact C-N 3.33Å; G781-A783 PolarHBondContact O-N 3.04Å
782R52.2Low44.7Very low237 Ų237137.6 Ų137.689%0.89472%0.718SS**  trans-74.580.7180-167.2-165.1-54.6-1274.2111.4K784R782-K784 VanDerWaalsContact C-N 3.28Å; R782-K784 PolarHBondContact O-N 2.79Å
783A35.7Very low47.2Very low90 Ų90137.1 Ų137.174%0.74472%0.717SS**  trans-6679.5177.100000112.5G781 T785G781-A783 VanDerWaalsContact C-N 3.33Å; G781-A783 PolarHBondContact O-N 3.04Å; A783-T785 PolarHBondContact O-N 3.06Å
784K44.8Very low49.8Very low180 Ų180132.3 Ų132.378%0.78370%0.698SS**  trans-58.4106.9153.2-84.5-175.4173.8179.40106.8R782 R786R782-K784 VanDerWaalsContact C-N 3.28Å; R782-K784 PolarHBondContact O-N 2.79Å; K784-R786 PolarHBondContact O-N 2.87Å
785T48.1Very low52.4Low108 Ų108128.5 Ų128.566%0.66368%0.678SS**  trans-60.8103.2168.9360000108.5A783 W787A783-T785 PolarHBondContact O-N 3.06Å; T785-W787 PolarHBondContact O-N 3.22Å
786R46.4Very low54.8Low170 Ų170126 Ų12664%0.64265%0.652SS**  trans-73.167.5177.9-91.8-163.3169.6-147.2-1.6110.7K784 S788 Q789K784-R786 PolarHBondContact O-N 2.87Å; R786-S788 PolarHBondContact O-N 3Å; R786-Q789 HydrophobicContact CB-CB 4.28Å; R786-Q789 PolarHBondContact O-N 3.23Å
787W47.3Very low57.6Low202 Ų202121.9 Ų121.977%0.76563%0.634SS**THydrogen-bonded Turntrans-55-17.2159-68.3100.8000112T785 Q789 F791T785-W787 PolarHBondContact O-N 3.22Å; W787-Q789 VanDerWaalsContact C-N 3.34Å; W787-Q789 PolarHBondContact O-N 3.49Å; W787-F791 WeakPolarHBondContact O-CD2 3.48Å; W787-F791 VanDerWaalsContact O-CE2 3.24Å; W787-F791 WeakPolarHBondContact O-CE2 3.38Å
788S54.4Low60.4Low96 Ų96121.1 Ų121.167%0.67162%0.619SS**THydrogen-bonded Turntrans-83.919.6176.966.30000115.5R786R786-S788 PolarHBondContact O-N 3Å
789Q59.3Low63Low123 Ų123117.2 Ų117.258%0.57561%0.607SS**SBendtrans-128.6-16.1-176.7-168.1155.5-6.600117.1R786 W787R786-Q789 HydrophobicContact CB-CB 4.28Å; R786-Q789 PolarHBondContact O-N 3.23Å; W787-Q789 VanDerWaalsContact C-N 3.34Å; W787-Q789 PolarHBondContact O-N 3.49Å
790V51.5Low65.6Low130 Ų130116.1 Ų116.179%0.78860%0.596SS**  trans-13444.3175.7-155.10000112.7S792V790-S792 PolarHBondContact O-N 3.01Å
791F60.3Low68.2Low86 Ų86115.5 Ų115.538%0.37759%0.593SS.*  trans-79.5106.5151.4-74.8-68.9000108W787 I795 Q796W787-F791 WeakPolarHBondContact O-CD2 3.48Å; W787-F791 VanDerWaalsContact O-CE2 3.24Å; W787-F791 WeakPolarHBondContact O-CE2 3.38Å; F791-I795 HydrophobicContact CD1-CB 4.24Å; F791-I795 HydrophobicContact CD1-CG2 3.74Å; F791-I795 HydrophobicContact CE1-CG2 4.14Å; F791-Q796 HydrophobicContact CB-CB 4.17Å
792S79.4Confident71.2Confident48 Ų48118 Ų11834%0.33659%0.59SS.*  trans-49.8141.9157.8151.60000108.4V790 E794 I795 Q796V790-S792 PolarHBondContact O-N 3.01Å; S792-E794 PolarHBondContact O-N 3.25Å; S792-E794 PolarHBondContact OG-N 2.89Å; S792-I795 WeakPolarHBondContact O-CA 3.38Å; S792-I795 PolarHBondContact O-N 2.63Å; S792-Q796 PolarHBondContact O-N 3.29Å
793P85.9Confident73.2Confident112 Ų112108.4 Ų108.473%0.72756%0.558SS**Hα-helixtrans-55.8-28.7-179.422.7-33.7000112.2A797P793-A797 WeakPolarHBondContact O-CB 3.4Å; P793-A797 PolarHBondContact O-N 2.89Å
794E87.4Confident76.1Confident111 Ų111107.1 Ų107.152%0.51955%0.547SS..Hα-helixtrans-68.9-41.9173.9-159.7-153150.500112.7S792 A797 K798S792-E794 PolarHBondContact O-N 3.25Å; S792-E794 PolarHBondContact OG-N 2.89Å; E794-A797 PolarHBondContact O-N 3.37Å; E794-K798 WeakPolarHBondContact O-CB 3.3Å; E794-K798 WeakPolarHBondContact O-CG 3.41Å; E794-K798 PolarHBondContact O-N 2.83Å; E794-K798 WeakPolarHBondContact OE1-CE 3.14Å; E794-K798 IonicContact OE1-NZ 2.79Å; E794-K798 PolarHBondContact OE1-NZ 3.17Å
795I88.8Confident78.6Confident82 Ų82103 Ų10342%0.42154%0.536SS..Hα-helixtrans-69.3-38.8175.8-53.5175.2000109.8F791 S792 A797 K798 F799F791-I795 HydrophobicContact CD1-CB 4.24Å; F791-I795 HydrophobicContact CD1-CG2 3.74Å; F791-I795 HydrophobicContact CE1-CG2 4.14Å; S792-I795 WeakPolarHBondContact O-CA 3.38Å; S792-I795 PolarHBondContact O-N 2.63Å; I795-A797 VanDerWaalsContact C-N 3.34Å; I795-A797 PolarHBondContact O-N 3.48Å; I795-K798 PolarHBondContact O-N 2.74Å; I795-F799 WeakPolarHBondContact O-CB 3.4Å; I795-F799 PolarHBondContact O-N 3.28Å
796Q90.2Very high80.8Confident66 Ų66100 Ų10031%0.30852%0.523SS..Hα-helixtrans-62.1-41.5172.3-17062.957.800111.3F791 S792 F799 N800F791-Q796 HydrophobicContact CB-CB 4.17Å; S792-Q796 PolarHBondContact O-N 3.29Å; Q796-F799 PolarHBondContact O-N 3.05Å; Q796-N800 PolarHBondContact NE2-OD1 3.44Å; Q796-N800 VanDerWaalsContact O-CB 3.23Å; Q796-N800 WeakPolarHBondContact O-CB 3.5Å; Q796-N800 PolarHBondContact O-N 3.07Å; Q796-N800 PolarHBondContact O-ND2 3.35Å; Q796-N800 PolarHBondContact O-OD1 3.2Å
797A90.8Very high83.1Confident56 Ų5698.6 Ų98.646%0.46352%0.521SS..Hα-helixtrans-63.6-43.7174.900000112P793 E794 I795 N800 K801P793-A797 WeakPolarHBondContact O-CB 3.4Å; P793-A797 PolarHBondContact O-N 2.89Å; E794-A797 PolarHBondContact O-N 3.37Å; I795-A797 VanDerWaalsContact C-N 3.34Å; I795-A797 PolarHBondContact O-N 3.48Å; A797-N800 PolarHBondContact O-N 3.17Å; A797-K801 WeakPolarHBondContact O-CB 3.36Å; A797-K801 PolarHBondContact O-N 3.45Å
798K93.2Very high85.4Confident114 Ų11489.9 Ų89.950%0.49649%0.494SS..Hα-helixtrans-59.8-46.9173.5-75.2164.8167.5172.40111.5E794 I795 K801 I802E794-K798 WeakPolarHBondContact O-CB 3.3Å; E794-K798 WeakPolarHBondContact O-CG 3.41Å; E794-K798 PolarHBondContact O-N 2.83Å; E794-K798 WeakPolarHBondContact OE1-CE 3.14Å; E794-K798 IonicContact OE1-NZ 2.79Å; E794-K798 PolarHBondContact OE1-NZ 3.17Å; I795-K798 PolarHBondContact O-N 2.74Å; K798-K801 WeakPolarHBondContact O-CB 3.49Å; K798-K801 PolarHBondContact O-N 2.88Å; K798-I802 WeakPolarHBondContact O-CG1 3.22Å; K798-I802 PolarHBondContact O-N 2.88Å
799F93.4Very high87.3Confident103 Ų10390 Ų9045%0.45248%0.483SS..Hα-helixtrans-65.9-41.3177.3-176.7-96.1000112.7I795 Q796 K801 I802 T803I795-F799 WeakPolarHBondContact O-CB 3.4Å; I795-F799 PolarHBondContact O-N 3.28Å; Q796-F799 PolarHBondContact O-N 3.05Å; F799-K801 VanDerWaalsContact C-N 3.33Å; F799-K801 PolarHBondContact O-N 3.35Å; F799-I802 PolarHBondContact O-N 3.09Å; F799-T803 WeakPolarHBondContact CE1-OG1 3.44Å; F799-T803 VanDerWaalsContact O-CB 3.24Å; F799-T803 WeakPolarHBondContact O-CB 3.38Å; F799-T803 PolarHBondContact O-N 2.82Å; F799-T803 PolarHBondContact O-OG1 2.85Å
800N94.1Very high89Confident89 Ų8986.8 Ų86.848%0.47647%0.469SS..Hα-helixtrans-61.1-42.5174.2-73.7-9.2000110.9Q796 A797 T803 A804Q796-N800 PolarHBondContact NE2-OD1 3.44Å; Q796-N800 VanDerWaalsContact O-CB 3.23Å; Q796-N800 WeakPolarHBondContact O-CB 3.5Å; Q796-N800 PolarHBondContact O-N 3.07Å; Q796-N800 PolarHBondContact O-ND2 3.35Å; Q796-N800 PolarHBondContact O-OD1 3.2Å; A797-N800 PolarHBondContact O-N 3.17Å; N800-T803 PolarHBondContact O-N 3.11Å; N800-A804 VanDerWaalsContact O-CB 3.25Å; N800-A804 WeakPolarHBondContact O-CB 3.27Å; N800-A804 PolarHBondContact O-N 2.93Å
801K95.8Very high91.1Very high160 Ų16083.8 Ų83.870%0.69645%0.451SS*.Hα-helixtrans-62.1-48176.2-173.3176.5-178.21780111.7A797 K798 F799 A804 V805A797-K801 WeakPolarHBondContact O-CB 3.36Å; A797-K801 PolarHBondContact O-N 3.45Å; K798-K801 WeakPolarHBondContact O-CB 3.49Å; K798-K801 PolarHBondContact O-N 2.88Å; F799-K801 VanDerWaalsContact C-N 3.33Å; F799-K801 PolarHBondContact O-N 3.35Å; K801-A804 PolarHBondContact O-N 3.45Å; K801-V805 WeakPolarHBondContact O-CG2 3.3Å; K801-V805 PolarHBondContact O-N 3.4Å
802I96.3Very high92.8Very high116 Ų11686.7 Ų86.760%0.59546%0.46SS*.Hα-helixtrans-60.6-47.4175.7-67.3164.8000110.5K798 F799 A804 V805 A806K798-I802 WeakPolarHBondContact O-CG1 3.22Å; K798-I802 PolarHBondContact O-N 2.88Å; F799-I802 PolarHBondContact O-N 3.09Å; I802-A804 VanDerWaalsContact C-N 3.35Å; I802-A804 PolarHBondContact O-N 3.17Å; I802-V805 PolarHBondContact O-N 2.99Å; I802-A806 WeakPolarHBondContact O-CB 3.38Å; I802-A806 PolarHBondContact O-N 3.31Å
803T95Very high93.5Very high35 Ų3589.6 Ų89.622%0.21546%0.463CS..Hα-helixtrans-62.2-39.6179-630000112.1F799 N800 A806 K807F799-T803 WeakPolarHBondContact CE1-OG1 3.44Å; F799-T803 VanDerWaalsContact O-CB 3.24Å; F799-T803 WeakPolarHBondContact O-CB 3.38Å; F799-T803 PolarHBondContact O-N 2.82Å; F799-T803 PolarHBondContact O-OG1 2.85Å; N800-T803 PolarHBondContact O-N 3.11Å; T803-A806 PolarHBondContact O-N 2.79Å; T803-K807 HydrophobicContact CG2-CD 3.92Å; T803-K807 HydrophobicContact CG2-CG 4.32Å; T803-K807 VanDerWaalsContact O-CB 3.29Å; T803-K807 WeakPolarHBondContact O-CB 3.36Å; T803-K807 VanDerWaalsContact O-CG 3.28Å; T803-K807 WeakPolarHBondContact O-CG 3.48Å; T803-K807 PolarHBondContact O-N 3.16Å
804A96.1Very high93.9Very high62 Ų6284.5 Ų84.551%0.51243%0.43SS..Hα-helixtrans-68.1-40.417600000112.2N800 K801 I802 G808N800-A804 VanDerWaalsContact O-CB 3.25Å; N800-A804 WeakPolarHBondContact O-CB 3.27Å; N800-A804 PolarHBondContact O-N 2.93Å; K801-A804 PolarHBondContact O-N 3.45Å; I802-A804 VanDerWaalsContact C-N 3.35Å; I802-A804 PolarHBondContact O-N 3.17Å; A804-G808 WeakPolarHBondContact O-CA 3.48Å; A804-G808 PolarHBondContact O-N 2.84Å
805V96.8Very high94.2Very high94 Ų9483.2 Ų83.257%0.5743%0.425SS*.Hα-helixtrans-63.2-45.6173.6170.10000110.8K801 I802 G808 F809K801-V805 WeakPolarHBondContact O-CG2 3.3Å; K801-V805 PolarHBondContact O-N 3.4Å; I802-V805 PolarHBondContact O-N 2.99Å; V805-G808 PolarHBondContact O-N 3.44Å; V805-F809 WeakPolarHBondContact O-CB 3.4Å; V805-F809 PolarHBondContact O-N 2.85Å
806A95.2Very high94.4Very high46 Ų4683.8 Ų83.838%0.3843%0.426SS..Hα-helixtrans-64.3-52.1178.300000112.2I802 T803 G808 F809 L810I802-A806 WeakPolarHBondContact O-CB 3.38Å; I802-A806 PolarHBondContact O-N 3.31Å; T803-A806 PolarHBondContact O-N 2.79Å; A806-G808 VanDerWaalsContact C-N 3.33Å; A806-G808 PolarHBondContact O-N 2.69Å; A806-F809 PolarHBondContact O-N 3.27Å; A806-L810 WeakPolarHBondContact O-CG 2.98Å; A806-L810 PolarHBondContact O-N 3.16Å
807K93.6Very high94.6Very high139 Ų13980.8 Ų80.860%0.60441%0.412SS*.Hα-helixtrans-57.6-45.4174.7-73.9178.1179.61790111.2T803 F809 L810 T811T803-K807 HydrophobicContact CG2-CD 3.92Å; T803-K807 HydrophobicContact CG2-CG 4.32Å; T803-K807 VanDerWaalsContact O-CB 3.29Å; T803-K807 WeakPolarHBondContact O-CB 3.36Å; T803-K807 VanDerWaalsContact O-CG 3.28Å; T803-K807 WeakPolarHBondContact O-CG 3.48Å; T803-K807 PolarHBondContact O-N 3.16Å; K807-F809 PolarHBondContact O-N 2.99Å; K807-L810 PolarHBondContact O-N 2.83Å; K807-T811 WeakPolarHBondContact O-CB 3.42Å; K807-T811 PolarHBondContact O-N 3.3Å; K807-T811 PolarHBondContact O-OG1 2.79Å
808G95.8Very high94.7Very high19 Ų1980.6 Ų80.620%0.19640%0.403CS..Hα-helixtrans-62.1-39.5176.900000113.4A804 V805 A806 R812A804-G808 WeakPolarHBondContact O-CA 3.48Å; A804-G808 PolarHBondContact O-N 2.84Å; V805-G808 PolarHBondContact O-N 3.44Å; A806-G808 VanDerWaalsContact C-N 3.33Å; A806-G808 PolarHBondContact O-N 2.69Å; G808-R812 VanDerWaalsContact C-CZ 3.44Å; G808-R812 WeakPolarHBondContact O-CB 3.22Å; G808-R812 VanDerWaalsContact O-CG 3.29Å; G808-R812 WeakPolarHBondContact O-CG 3.33Å; G808-R812 VanDerWaalsContact O-CZ 3.26Å; G808-R812 PolarHBondContact O-N 2.92Å; G808-R812 PolarHBondContact O-NE 2.65Å; G808-R812 PolarHBondContact O-NH1 2.87Å
809F95.6Very high94.6Very high99 Ų9979.9 Ų79.943%0.43440%0.4SS..Hα-helixtrans-65.1-47.2173.4175-95.1000111.5V805 A806 K807 R812 R813V805-F809 WeakPolarHBondContact O-CB 3.4Å; V805-F809 PolarHBondContact O-N 2.85Å; A806-F809 PolarHBondContact O-N 3.27Å; K807-F809 PolarHBondContact O-N 2.99Å; F809-R812 PolarHBondContact O-N 3.31Å; F809-R813 HydrophobicContact CD1-CG 4.2Å; F809-R813 HydrophobicContact CE1-CG 3.83Å; F809-R813 HydrophobicContact CE2-CG 4.23Å; F809-R813 HydrophobicContact CZ-CG 3.86Å; F809-R813 WeakPolarHBondContact O-CG 3.3Å; F809-R813 PolarHBondContact O-N 2.87Å
810L95.1Very high94.6Very high56 Ų5675.2 Ų75.229%0.29338%0.38SS..Hα-helixtrans-62.8-42.9178.6-67.3172.2000111.6A806 K807 R813 L814 M883 L886A806-L810 WeakPolarHBondContact O-CG 2.98Å; A806-L810 PolarHBondContact O-N 3.16Å; K807-L810 PolarHBondContact O-N 2.83Å; L810-R813 CarbonylContact O-C 3.55Å; L810-R813 PolarHBondContact O-N 3.4Å; L810-L814 WeakPolarHBondContact O-CB 3.27Å; L810-L814 PolarHBondContact O-N 2.87Å; L810-M883 HydrophobicContact CD1-CE 4.08Å; L810-M883 HydrophobicContact CD1-SD 4.45Å; L810-M883 HydrophobicContact CD2-CE 4.18Å; L810-M883 HydrophobicContact CD2-SD 4.13Å; L810-L886 HydrophobicContact CD2-CD1 3.75Å
811T94.4Very high94.6Very high66 Ų6675.8 Ų75.841%0.40538%0.378SS..Hα-helixtrans-60.4-45172.6-69.40000112K807 R813 L814 M815 F874K807-T811 WeakPolarHBondContact O-CB 3.42Å; K807-T811 PolarHBondContact O-N 3.3Å; K807-T811 PolarHBondContact O-OG1 2.79Å; T811-R813 VanDerWaalsContact C-N 3.31Å; T811-R813 PolarHBondContact O-N 3.19Å; T811-L814 PolarHBondContact O-N 2.98Å; T811-M815 WeakPolarHBondContact O-CB 3.46Å; T811-M815 WeakPolarHBondContact O-CG 3.47Å; T811-M815 PolarHBondContact O-N 3.48Å; T811-F874 HydrophobicContact CG2-CE1 3.89Å
812R95.1Very high94.6Very high147 Ų14774.5 Ų74.556%0.55538%0.375SS*.Hα-helixtrans-63.9-33.4174.7-75.9-176.5-65.1-92.13.7112.7G808 F809 Q816G808-R812 VanDerWaalsContact C-CZ 3.44Å; G808-R812 WeakPolarHBondContact O-CB 3.22Å; G808-R812 VanDerWaalsContact O-CG 3.29Å; G808-R812 WeakPolarHBondContact O-CG 3.33Å; G808-R812 VanDerWaalsContact O-CZ 3.26Å; G808-R812 PolarHBondContact O-N 2.92Å; G808-R812 PolarHBondContact O-NE 2.65Å; G808-R812 PolarHBondContact O-NH1 2.87Å; F809-R812 PolarHBondContact O-N 3.31Å; R812-Q816 VanDerWaalsContact O-CG 3.25Å; R812-Q816 WeakPolarHBondContact O-CG 3.34Å; R812-Q816 PolarHBondContact O-N 3.45Å
813R94.3Very high94.6Very high109 Ų10970.6 Ų70.641%0.41136%0.355SS..Hα-helixtrans-73.3-38.3173.1-70.3-55.6-167.7179.56.6112.3F809 L810 T811 Q816 T817 L886F809-R813 HydrophobicContact CD1-CG 4.2Å; F809-R813 HydrophobicContact CE1-CG 3.83Å; F809-R813 HydrophobicContact CE2-CG 4.23Å; F809-R813 HydrophobicContact CZ-CG 3.86Å; F809-R813 WeakPolarHBondContact O-CG 3.3Å; F809-R813 PolarHBondContact O-N 2.87Å; L810-R813 CarbonylContact O-C 3.55Å; L810-R813 PolarHBondContact O-N 3.4Å; T811-R813 VanDerWaalsContact C-N 3.31Å; T811-R813 PolarHBondContact O-N 3.19Å; R813-Q816 CarbonylContact O-C 3.56Å; R813-Q816 WeakPolarHBondContact O-CA 3.39Å; R813-Q816 WeakPolarHBondContact O-CB 3.31Å; R813-Q816 PolarHBondContact O-N 3.06Å; R813-T817 WeakPolarHBondContact O-CG2 3.39Å; R813-T817 PolarHBondContact O-N 3.39Å; R813-L886 HydrophobicContact CB-CD2 3.79Å
814L95.2Very high94.6Very high6 Ų676.6 Ų76.63%0.03137%0.373CS..Hα-helixtrans-65-44.2178.3-164.254.9000110.4L810 T811 Q816 T817 L820 I873 F874 R882 I885 L886L810-L814 WeakPolarHBondContact O-CB 3.27Å; L810-L814 PolarHBondContact O-N 2.87Å; T811-L814 PolarHBondContact O-N 2.98Å; L814-Q816 PolarHBondContact O-N 3.3Å; L814-T817 HydrophobicContact CD1-CG2 4.4Å; L814-T817 WeakPolarHBondContact O-CB 3.43Å; L814-T817 PolarHBondContact O-N 3.23Å; L814-T817 PolarHBondContact O-OG1 2.95Å; L814-L820 HydrophobicContact CD1-CD1 4.18Å; L814-L820 HydrophobicContact CG-CD1 4.21Å; L814-L820 HydrophobicContact CG-CD2 4.28Å; L814-I873 HydrophobicContact CD1-CG2 4.12Å; L814-I873 HydrophobicContact CD2-CG2 3.8Å; L814-I873 HydrophobicContact CG-CG2 4.03Å; L814-F874 HydrophobicContact CB-CE1 4.37Å; L814-F874 HydrophobicContact CB-CZ 4.41Å; L814-F874 HydrophobicContact CD2-CD1 4.3Å; L814-F874 HydrophobicContact CD2-CE1 3.79Å; L814-F874 HydrophobicContact CD2-CZ 4.2Å; L814-F874 HydrophobicContact CG-CE1 4.32Å; L814-F874 HydrophobicContact CG-CZ 4.29Å; L814-R882 HydrophobicContact CD2-CB 4.36Å; L814-R882 HydrophobicContact CD2-CG 3.97Å; L814-I885 HydrophobicContact CD1-CB 4.17Å; L814-I885 HydrophobicContact CD1-CD1 4.41Å; L814-I885 HydrophobicContact CD1-CG2 3.96Å; L814-L886 HydrophobicContact CB-CD2 4.38Å; L814-L886 HydrophobicContact CD1-CD2 4.27Å; L814-L886 HydrophobicContact CD1-CG 4.35Å
815M93.7Very high94.6Very high84 Ų8477.7 Ų77.741%0.41437%0.368SS..THydrogen-bonded Turntrans-54.3-27.7166.9-81.9-80.512700114.6T811 L820 F874T811-M815 WeakPolarHBondContact O-CB 3.46Å; T811-M815 WeakPolarHBondContact O-CG 3.47Å; T811-M815 PolarHBondContact O-N 3.48Å; M815-L820 HydrophobicContact CE-CD2 3.97Å; M815-F874 HydrophobicContact CE-CE2 3.39Å; M815-F874 HydrophobicContact CE-CZ 3.54Å; M815-F874 HydrophobicContact CG-CZ 4.29Å
816Q93.6Very high94.6Very high94 Ų9475.1 Ų75.144%0.43935%0.352SS..THydrogen-bonded Turntrans-89.2-5.4178.6-75.6172.32.300113.6R812 R813 L814 K821R812-Q816 VanDerWaalsContact O-CG 3.25Å; R812-Q816 WeakPolarHBondContact O-CG 3.34Å; R812-Q816 PolarHBondContact O-N 3.45Å; R813-Q816 CarbonylContact O-C 3.56Å; R813-Q816 WeakPolarHBondContact O-CA 3.39Å; R813-Q816 WeakPolarHBondContact O-CB 3.31Å; R813-Q816 PolarHBondContact O-N 3.06Å; L814-Q816 PolarHBondContact O-N 3.3Å; Q816-K821 WeakPolarHBondContact O-CE 3.26Å; Q816-K821 PolarHBondContact O-NZ 3.48Å
817T94.6Very high94.7Very high2 Ų273.6 Ų73.61%0.01234%0.339CS..SBendtrans-72.8149.318064.50000111.8R813 L814 K819 L820 K821 I885 L886 D889R813-T817 WeakPolarHBondContact O-CG2 3.39Å; R813-T817 PolarHBondContact O-N 3.39Å; L814-T817 HydrophobicContact CD1-CG2 4.4Å; L814-T817 WeakPolarHBondContact O-CB 3.43Å; L814-T817 PolarHBondContact O-N 3.23Å; L814-T817 PolarHBondContact O-OG1 2.95Å; T817-K819 PolarHBondContact O-N 2.84Å; T817-L820 PolarHBondContact O-N 3.07Å; T817-L820 VanDerWaalsContact O-N 3.17Å; T817-L820 VanDerWaalsContact OG1-CD1 3.26Å; T817-L820 WeakPolarHBondContact OG1-CD1 3.32Å; T817-K821 WeakPolarHBondContact O-CG 3.43Å; T817-K821 PolarHBondContact O-N 3.43Å; T817-I885 HydrophobicContact CG2-CG2 4.03Å; T817-L886 HydrophobicContact CG2-CD2 3.81Å; T817-D889 WeakPolarHBondContact CA-OD1 3.3Å; T817-D889 HydrophobicContact CG2-CB 3.84Å
818D91.1Very high94.9Very high52 Ų5271.7 Ų71.728%0.27833%0.33SS..Hα-helixtrans-60.1-31.2-179.2-70.2-11.1000112.4K821 Q822 K896D818-K821 WeakPolarHBondContact OD1-CD 3.46Å; D818-K821 IonicContact OD1-NZ 2.69Å; D818-K821 PolarHBondContact OD1-NZ 2.67Å; D818-Q822 WeakPolarHBondContact O-CB 3.5Å; D818-Q822 WeakPolarHBondContact O-CG 3.33Å; D818-Q822 PolarHBondContact O-N 3.18Å; D818-K896 IonicContact OD2-NZ 3.16Å; D818-K896 PolarHBondContact OD2-NZ 2.76Å
819K91.1Very high94.9Very high100 Ų10074.4 Ų74.444%0.43534%0.34SS..Hα-helixtrans-59.6-50.2172.6-173.7-175.8-177.8-166.90112.2T817 L823 I873 I885T817-K819 PolarHBondContact O-N 2.84Å; K819-L823 WeakPolarHBondContact O-CB 3.32Å; K819-L823 PolarHBondContact O-N 2.86Å; K819-L823 VanDerWaalsContact O-N 3.12Å; K819-I873 HydrophobicContact CD-CD1 3.83Å; K819-I873 HydrophobicContact CG-CD1 4.35Å; K819-I885 HydrophobicContact CD-CD1 4.31Å
820L94.3Very high94.9Very high4 Ų470 Ų702%0.02132%0.322CS..Hα-helixtrans-78.7-28.9-176.9-8084.6000112.9L814 M815 T817 L823 R824 I873 F874L814-L820 HydrophobicContact CD1-CD1 4.18Å; L814-L820 HydrophobicContact CG-CD1 4.21Å; L814-L820 HydrophobicContact CG-CD2 4.28Å; M815-L820 HydrophobicContact CE-CD2 3.97Å; T817-L820 PolarHBondContact O-N 3.07Å; T817-L820 VanDerWaalsContact O-N 3.17Å; T817-L820 VanDerWaalsContact OG1-CD1 3.26Å; T817-L820 WeakPolarHBondContact OG1-CD1 3.32Å; L820-L823 PolarHBondContact O-N 3.07Å; L820-R824 VanDerWaalsContact O-CB 3.24Å; L820-R824 WeakPolarHBondContact O-CB 3.27Å; L820-R824 PolarHBondContact O-N 2.98Å; L820-I873 HydrophobicContact CD1-CD1 3.72Å; L820-I873 HydrophobicContact CD1-CG2 3.98Å; L820-I873 HydrophobicContact CD2-CG2 4.46Å; L820-I873 HydrophobicContact CG-CD1 4.08Å; L820-F874 HydrophobicContact CD2-CE2 3.42Å; L820-F874 VanDerWaalsContact CD2-CE2 3.42Å; L820-F874 HydrophobicContact CD2-CZ 3.62Å
821K94.9Very high94.9Very high102 Ų10271.5 Ų71.544%0.44333%0.328SS..Hα-helixtrans-59.4-51.1168.7-75.7156.5167.7154.80111.1Q816 T817 D818 L823 R824 Q825Q816-K821 WeakPolarHBondContact O-CE 3.26Å; Q816-K821 PolarHBondContact O-NZ 3.48Å; T817-K821 WeakPolarHBondContact O-CG 3.43Å; T817-K821 PolarHBondContact O-N 3.43Å; D818-K821 WeakPolarHBondContact OD1-CD 3.46Å; D818-K821 IonicContact OD1-NZ 2.69Å; D818-K821 PolarHBondContact OD1-NZ 2.67Å; K821-L823 VanDerWaalsContact C-N 3.33Å; K821-L823 PolarHBondContact O-N 3.19Å; K821-R824 PolarHBondContact O-N 3.13Å; K821-Q825 WeakPolarHBondContact O-CB 3.49Å; K821-Q825 PolarHBondContact O-N 3.29Å
822Q94.3Very high94.9Very high133 Ų13373.8 Ų73.862%0.62133%0.334SS*.Hα-helixtrans-56.1-50.1177.1-75.7166.9-12.600110.5D818 R824 Q825 T826D818-Q822 WeakPolarHBondContact O-CB 3.5Å; D818-Q822 WeakPolarHBondContact O-CG 3.33Å; D818-Q822 PolarHBondContact O-N 3.18Å; Q822-R824 PolarHBondContact O-N 2.95Å; Q822-Q825 CarbonylContact O-C 3.58Å; Q822-Q825 WeakPolarHBondContact O-CB 3.33Å; Q822-Q825 PolarHBondContact O-N 3.33Å; Q822-Q825 VanDerWaalsContact O-N 3.09Å; Q822-T826 PolarHBondContact O-N 3.29Å; Q822-T826 PolarHBondContact O-OG1 3.44Å
823L96.5Very high94.8Very high34 Ų3470.6 Ų70.618%0.17832%0.324CS..Hα-helixtrans-65.5-41.2-176.4-154.759.8000113.1K819 L820 K821 Q825 T826 V827 A866 I870 I873K819-L823 WeakPolarHBondContact O-CB 3.32Å; K819-L823 PolarHBondContact O-N 2.86Å; K819-L823 VanDerWaalsContact O-N 3.12Å; L820-L823 PolarHBondContact O-N 3.07Å; K821-L823 VanDerWaalsContact C-N 3.33Å; K821-L823 PolarHBondContact O-N 3.19Å; L823-Q825 VanDerWaalsContact C-N 3.29Å; L823-Q825 PolarHBondContact O-N 2.86Å; L823-T826 PolarHBondContact O-N 2.82Å; L823-V827 WeakPolarHBondContact O-CG2 3.48Å; L823-V827 PolarHBondContact O-N 2.86Å; L823-A866 HydrophobicContact CD1-CB 3.9Å; L823-A866 HydrophobicContact CG-CB 4.42Å; L823-A866 WeakPolarHBondContact CG-O 3.5Å; L823-I870 HydrophobicContact CB-CG1 4.33Å; L823-I870 HydrophobicContact CD2-CB 4.5Å; L823-I870 HydrophobicContact CD2-CG1 3.64Å; L823-I870 HydrophobicContact CG-CD1 4.47Å; L823-I870 HydrophobicContact CG-CG1 3.86Å; L823-I873 HydrophobicContact CD2-CD1 4.47Å
824R95.6Very high94.7Very high160 Ų16066.5 Ų66.560%0.60431%0.31SS*.Hα-helixtrans-64.3-33.7172.3-175.5180-179.3-159.80.2112.2L820 K821 Q822 K828L820-R824 VanDerWaalsContact O-CB 3.24Å; L820-R824 WeakPolarHBondContact O-CB 3.27Å; L820-R824 PolarHBondContact O-N 2.98Å; K821-R824 PolarHBondContact O-N 3.13Å; Q822-R824 PolarHBondContact O-N 2.95Å; R824-K828 PolarHBondContact O-N 3.47Å; R824-K828 VanDerWaalsContact O-N 3.14Å
825Q96.3Very high94.5Very high85 Ų8573.7 Ų73.740%0.39734%0.337SS..Hα-helixtrans-70.7-46175-166.26039.800110.4K821 Q822 L823 V827 K828 D829K821-Q825 WeakPolarHBondContact O-CB 3.49Å; K821-Q825 PolarHBondContact O-N 3.29Å; Q822-Q825 CarbonylContact O-C 3.58Å; Q822-Q825 WeakPolarHBondContact O-CB 3.33Å; Q822-Q825 PolarHBondContact O-N 3.33Å; Q822-Q825 VanDerWaalsContact O-N 3.09Å; L823-Q825 VanDerWaalsContact C-N 3.29Å; L823-Q825 PolarHBondContact O-N 2.86Å; Q825-V827 VanDerWaalsContact C-N 3.27Å; Q825-V827 PolarHBondContact O-N 3.49Å; Q825-K828 CarbonylContact O-C 3.59Å; Q825-K828 WeakPolarHBondContact O-CA 3.03Å; Q825-K828 VanDerWaalsContact O-CB 3.32Å; Q825-K828 WeakPolarHBondContact O-CB 3.41Å; Q825-K828 PolarHBondContact O-N 3.15Å; Q825-D829 PolarHBondContact NE2-OD1 3.3Å; Q825-D829 PolarHBondContact O-N 2.92Å
826T96.4Very high94.2Very high40 Ų4071.6 Ų71.625%0.24533%0.331CS..Hα-helixtrans-55.6-40.6173.1-54.30000112.6Q822 L823 D829 T830 Q862 A866Q822-T826 PolarHBondContact O-N 3.29Å; Q822-T826 PolarHBondContact O-OG1 3.44Å; L823-T826 PolarHBondContact O-N 2.82Å; T826-D829 PolarHBondContact O-N 2.99Å; T826-T830 HydrophobicContact CG2-CG2 4.31Å; T826-T830 WeakPolarHBondContact O-CB 3.33Å; T826-T830 WeakPolarHBondContact O-CG2 3.25Å; T826-T830 PolarHBondContact O-N 3.38Å; T826-T830 PolarHBondContact O-OG1 2.72Å; T826-Q862 HydrophobicContact CG2-CG 4.23Å; T826-A866 HydrophobicContact CG2-CB 4.16Å
827V97.1Very high93.9Very high15 Ų1568.5 Ų68.59%0.09132%0.316CS..Hα-helixtrans-61.8-40.7173168.10000111.8L823 Q825 T830 M831 L863 A866 L867 I870L823-V827 WeakPolarHBondContact O-CG2 3.48Å; L823-V827 PolarHBondContact O-N 2.86Å; Q825-V827 VanDerWaalsContact C-N 3.27Å; Q825-V827 PolarHBondContact O-N 3.49Å; V827-T830 PolarHBondContact O-OG1 2.65Å; V827-M831 HydrophobicContact CG1-CE 3.81Å; V827-M831 HydrophobicContact CG1-SD 4.32Å; V827-M831 WeakPolarHBondContact O-CB 3.31Å; V827-M831 WeakPolarHBondContact O-CE 3.37Å; V827-M831 VanDerWaalsContact O-CG 3.22Å; V827-M831 WeakPolarHBondContact O-CG 3.43Å; V827-M831 PolarHBondContact O-N 2.89Å; V827-L863 HydrophobicContact CB-CD1 4.31Å; V827-L863 HydrophobicContact CG1-CD1 4Å; V827-L863 HydrophobicContact CG2-CD1 4.23Å; V827-A866 HydrophobicContact CG2-CB 3.67Å; V827-L867 HydrophobicContact CG1-CD2 4.09Å; V827-L867 HydrophobicContact CG2-CD2 3.98Å; V827-L867 HydrophobicContact CG2-CG 4.19Å; V827-I870 HydrophobicContact CG2-CD1 4.03Å
828K96.9Very high93.3Very high99 Ų9973.7 Ų73.743%0.4334%0.34SS..Hα-helixtrans-64.5-55.5173.1-75.3177.4156.1-153.20112R824 Q825 T830 M831 E832R824-K828 PolarHBondContact O-N 3.47Å; R824-K828 VanDerWaalsContact O-N 3.14Å; Q825-K828 CarbonylContact O-C 3.59Å; Q825-K828 WeakPolarHBondContact O-CA 3.03Å; Q825-K828 VanDerWaalsContact O-CB 3.32Å; Q825-K828 WeakPolarHBondContact O-CB 3.41Å; Q825-K828 PolarHBondContact O-N 3.15Å; K828-T830 VanDerWaalsContact C-N 3.27Å; K828-T830 PolarHBondContact O-N 2.88Å; K828-M831 PolarHBondContact O-N 2.92Å; K828-E832 PolarHBondContact O-N 3Å
829D96.4Very high92.7Very high76 Ų7675.6 Ų75.641%0.40636%0.357SS..Hα-helixtrans-57.7-42.8-173.4-53.3-27.9000110.6Q825 T826 F833Q825-D829 PolarHBondContact NE2-OD1 3.3Å; Q825-D829 PolarHBondContact O-N 2.92Å; T826-D829 PolarHBondContact O-N 2.99Å; D829-F833 VanDerWaalsContact O-CB 3.3Å; D829-F833 WeakPolarHBondContact O-CB 3.44Å; D829-F833 PolarHBondContact O-N 2.88Å
830T96Very high91.8Very high7 Ų777.6 Ų77.64%0.04337%0.368CS..Hα-helixtrans-71.3-35.2177.153.40000113T826 V827 K828 I834 V859 Q862T826-T830 HydrophobicContact CG2-CG2 4.31Å; T826-T830 WeakPolarHBondContact O-CB 3.33Å; T826-T830 WeakPolarHBondContact O-CG2 3.25Å; T826-T830 PolarHBondContact O-N 3.38Å; T826-T830 PolarHBondContact O-OG1 2.72Å; V827-T830 PolarHBondContact O-OG1 2.65Å; K828-T830 VanDerWaalsContact C-N 3.27Å; K828-T830 PolarHBondContact O-N 2.88Å; T830-I834 WeakPolarHBondContact O-CB 3.41Å; T830-I834 WeakPolarHBondContact O-CD1 3.49Å; T830-I834 WeakPolarHBondContact O-CG1 3.45Å; T830-I834 PolarHBondContact O-N 2.94Å; T830-V859 HydrophobicContact CG2-CG1 3.99Å; T830-Q862 HydrophobicContact CG2-CB 4.46Å; T830-Q862 HydrophobicContact CG2-CG 4.09Å
831M94.6Very high90.4Very high87 Ų8779.4 Ų79.443%0.42938%0.384SS..Hα-helixtrans-71.5-35.5173.5-73.8-171.5-49.800113.1V827 K828 R835 L863V827-M831 HydrophobicContact CG1-CE 3.81Å; V827-M831 HydrophobicContact CG1-SD 4.32Å; V827-M831 WeakPolarHBondContact O-CB 3.31Å; V827-M831 WeakPolarHBondContact O-CE 3.37Å; V827-M831 VanDerWaalsContact O-CG 3.22Å; V827-M831 WeakPolarHBondContact O-CG 3.43Å; V827-M831 PolarHBondContact O-N 2.89Å; K828-M831 PolarHBondContact O-N 2.92Å; M831-R835 WeakPolarHBondContact O-CB 3.5Å; M831-R835 PolarHBondContact O-N 3.45Å; M831-L863 HydrophobicContact CG-CD1 3.98Å; M831-L863 HydrophobicContact CG-CD2 3.92Å
832E94.5Very high88.3Confident114 Ų11479.2 Ų79.253%0.53339%0.393SS..Hα-helixtrans-70-41.9173.8-79.6179160.400110.9K828 R835 S836K828-E832 PolarHBondContact O-N 3Å; E832-R835 PolarHBondContact O-N 2.93Å; E832-S836 PolarHBondContact O-N 2.92Å
833F94Very high86.4Confident80 Ų8079.5 Ų79.535%0.35140%0.398SS..Hα-helixtrans-59.5-47.3171.1-178.9-85.2000112.3D829 R835 S836 F837 L855 V859D829-F833 VanDerWaalsContact O-CB 3.3Å; D829-F833 WeakPolarHBondContact O-CB 3.44Å; D829-F833 PolarHBondContact O-N 2.88Å; F833-R835 PolarHBondContact O-N 3.14Å; F833-S836 PolarHBondContact O-N 3.33Å; F833-S836 PolarHBondContact O-OG 3.46Å; F833-F837 HydrophobicContact CD1-CB 4.45Å; F833-F837 HydrophobicContact CE1-CB 4.15Å; F833-F837 HydrophobicContact CE1-CD2 4.18Å; F833-F837 HydrophobicContact CE1-CG 4.2Å; F833-F837 HydrophobicContact CZ-CD2 4.1Å; F833-F837 WeakPolarHBondContact O-CB 3.29Å; F833-F837 PolarHBondContact O-N 3.42Å; F833-L855 HydrophobicContact CE1-CG 4.48Å; F833-L855 HydrophobicContact CZ-CD2 4.12Å; F833-L855 HydrophobicContact CZ-CG 4.43Å; F833-V859 HydrophobicContact CD1-CB 4.44Å; F833-V859 HydrophobicContact CD1-CG1 3.99Å; F833-V859 HydrophobicContact CD1-CG2 4Å; F833-V859 HydrophobicContact CE1-CG2 3.92Å
834I91.3Very high84.2Confident22 Ų2287.4 Ų87.411%0.11343%0.431CS..Hα-helixtrans-59.1-39.5176.9-73.4162.5000110.5T830 Q838 V859 L860 L863T830-I834 WeakPolarHBondContact O-CB 3.41Å; T830-I834 WeakPolarHBondContact O-CD1 3.49Å; T830-I834 WeakPolarHBondContact O-CG1 3.45Å; T830-I834 PolarHBondContact O-N 2.94Å; I834-Q838 VanDerWaalsContact O-CB 3.32Å; I834-Q838 WeakPolarHBondContact O-CB 3.38Å; I834-Q838 WeakPolarHBondContact O-CG 3.09Å; I834-Q838 PolarHBondContact O-N 3.48Å; I834-V859 HydrophobicContact CD1-CG1 3.97Å; I834-V859 HydrophobicContact CG1-CG1 3.81Å; I834-L860 HydrophobicContact CD1-CD2 3.8Å; I834-L860 HydrophobicContact CD1-CG 4.34Å; I834-L863 HydrophobicContact CD1-CD2 3.83Å
835R90.5Very high82.1Confident157 Ų15790.2 Ų90.259%0.59244%0.442SS*.Hα-helixtrans-68.6-46.1177.9-168.9-172.1-59.7136.64.7112.3M831 E832 F833 Q838 S839M831-R835 WeakPolarHBondContact O-CB 3.5Å; M831-R835 PolarHBondContact O-N 3.45Å; E832-R835 PolarHBondContact O-N 2.93Å; F833-R835 PolarHBondContact O-N 3.14Å; R835-Q838 PolarHBondContact O-N 3.46Å; R835-S839 PolarHBondContact O-N 3.33Å; R835-S839 VanDerWaalsContact O-N 3.1Å; R835-S839 PolarHBondContact O-OG 3.04Å
836S88.9Confident80.3Confident41 Ų4189.9 Ų89.929%0.28746%0.461SS..Hα-helixtrans-64.8-44.8179.570.90000110.7E832 F833 Q838 S839 E840E832-S836 PolarHBondContact O-N 2.92Å; F833-S836 PolarHBondContact O-N 3.33Å; F833-S836 PolarHBondContact O-OG 3.46Å; S836-Q838 VanDerWaalsContact C-N 3.33Å; S836-Q838 PolarHBondContact O-N 3.45Å; S836-S839 WeakPolarHBondContact CA-OG 3.34Å; S836-S839 CarbonylContact O-C 3.55Å; S836-S839 PolarHBondContact O-N 3.21Å; S836-S839 PolarHBondContact O-OG 3.1Å; S836-E840 WeakPolarHBondContact O-CB 3.37Å; S836-E840 WeakPolarHBondContact O-CG 3.46Å; S836-E840 PolarHBondContact O-N 2.82Å
837F86.6Confident78.4Confident28 Ų2895.2 Ų95.212%0.12349%0.487CS..Hα-helixtrans-56.8-42.4174.3-170.1-105.1000112.5F833 S839 E840 A841 D852 L855 Q856F833-F837 HydrophobicContact CD1-CB 4.45Å; F833-F837 HydrophobicContact CE1-CB 4.15Å; F833-F837 HydrophobicContact CE1-CD2 4.18Å; F833-F837 HydrophobicContact CE1-CG 4.2Å; F833-F837 HydrophobicContact CZ-CD2 4.1Å; F833-F837 WeakPolarHBondContact O-CB 3.29Å; F833-F837 PolarHBondContact O-N 3.42Å; F837-S839 VanDerWaalsContact C-N 3.31Å; F837-S839 PolarHBondContact O-N 3.44Å; F837-E840 PolarHBondContact O-N 3.39Å; F837-A841 VanDerWaalsContact O-CB 3.31Å; F837-A841 WeakPolarHBondContact O-CB 3.31Å; F837-A841 PolarHBondContact O-N 3.1Å; F837-D852 HydrophobicContact CZ-CB 3.75Å; F837-L855 HydrophobicContact CE2-CD2 3.89Å; F837-L855 HydrophobicContact CZ-CD2 4.32Å; F837-Q856 HydrophobicContact CE1-CB 4.14Å
838Q81.9Confident77Confident112 Ų11297.9 Ų97.952%0.52350%0.503SS..Hα-helixtrans-69.6-21.9175-76.4172.5-4.800114.3I834 R835 S836I834-Q838 VanDerWaalsContact O-CB 3.32Å; I834-Q838 WeakPolarHBondContact O-CB 3.38Å; I834-Q838 WeakPolarHBondContact O-CG 3.09Å; I834-Q838 PolarHBondContact O-N 3.48Å; R835-Q838 PolarHBondContact O-N 3.46Å; S836-Q838 VanDerWaalsContact C-N 3.33Å; S836-Q838 PolarHBondContact O-N 3.45Å
839S78.3Confident76.3Confident91 Ų9195.6 Ų95.664%0.63650%0.499SS*.Hα-helixtrans-91.1-29.2172.853.90000113.9R835 S836 F837R835-S839 PolarHBondContact O-N 3.33Å; R835-S839 VanDerWaalsContact O-N 3.1Å; R835-S839 PolarHBondContact O-OG 3.04Å; S836-S839 WeakPolarHBondContact CA-OG 3.34Å; S836-S839 CarbonylContact O-C 3.55Å; S836-S839 PolarHBondContact O-N 3.21Å; S836-S839 PolarHBondContact O-OG 3.1Å; F837-S839 VanDerWaalsContact C-N 3.31Å; F837-S839 PolarHBondContact O-N 3.44Å
840E73.5Confident75.7Confident142 Ų14296.1 Ų96.166%0.66451%0.514SS*.Hα-helixtrans-82.9-36.3-178.9-74.1167.9-150.400112.1S836 F837 P842S836-E840 WeakPolarHBondContact O-CB 3.37Å; S836-E840 WeakPolarHBondContact O-CG 3.46Å; S836-E840 PolarHBondContact O-N 2.82Å; F837-E840 PolarHBondContact O-N 3.39Å; E840-P842 WeakPolarHBondContact O-CD 3.5Å
841A62.9Low75.2Confident43 Ų43103.2 Ų103.236%0.35555%0.547SS..SBendtrans-85.7100.5171.100000109.8F837 L843F837-A841 VanDerWaalsContact O-CB 3.31Å; F837-A841 WeakPolarHBondContact O-CB 3.31Å; F837-A841 PolarHBondContact O-N 3.1Å; A841-L843 PolarHBondContact O-N 3.41Å
842P51.8Low74.8Confident97 Ų97101.8 Ų101.863%0.6354%0.541SS*.  trans-78.1118-170.8-8.427.9000109E840 K844E840-P842 WeakPolarHBondContact O-CD 3.5Å; P842-K844 PolarHBondContact O-N 3.38Å
843L54.5Low74.4Confident140 Ų14098.6 Ų98.673%0.73353%0.534SS*.THydrogen-bonded Turntrans-61.612.3177.6-70.7164.3000114.9A841 R845A841-L843 PolarHBondContact O-N 3.41Å; L843-R845 PolarHBondContact O-N 3.01Å
844K51.2Low74.3Confident199 Ų19997.2 Ų97.287%0.86553%0.534SS*.THydrogen-bonded Turntrans-69.2-8.2178.2-67.7-162.8173.1-171.70114.3P842P842-K844 PolarHBondContact O-N 3.38Å
845R50.3Low74.3Confident220 Ų22098.7 Ų98.783%0.8354%0.542SS*.SBendtrans-134.6124.9155.8-69.1-175.2178134.81.8107.9L843 I847L843-R845 PolarHBondContact O-N 3.01Å; R845-I847 PolarHBondContact O-N 2.86Å
846G58.5Low74.3Confident78 Ų7894.3 Ų94.380%0.80453%0.528SS*.SBendtrans-73.635.9-173.300000115.5
847I57.8Low74.4Confident152 Ų15298.6 Ų98.678%0.77954%0.544SS*.  trans-124.786.7179.9-51.7177.4000107.3R845R845-I847 PolarHBondContact O-N 2.86Å
848V66.6Low74.8Confident71 Ų71103.4 Ų103.443%0.4356%0.561SS.*  trans-64.2133.8167179.40000107.6D852 A853V848-D852 HydrophobicContact CG1-CB 3.55Å; V848-A853 HydrophobicContact CG1-CB 4.23Å
849S82.7Confident75.5Confident51 Ų5198.8 Ų98.836%0.35754%0.54SS..  trans-57.3145.7177.3-178.40000110.4Q851 D852 A853S849-Q851 PolarHBondContact O-N 3.46Å; S849-Q851 VanDerWaalsContact O-N 3.11Å; S849-Q851 PolarHBondContact OG-N 2.82Å; S849-D852 WeakPolarHBondContact CB-OD2 3.4Å; S849-D852 WeakPolarHBondContact O-CA 3.49Å; S849-D852 WeakPolarHBondContact O-CB 3.47Å; S849-D852 PolarHBondContact O-N 3.42Å; S849-A853 PolarHBondContact O-N 3.3Å
850A82.9Confident76.2Confident87 Ų8796.8 Ų96.872%0.71952%0.522SS*.Hα-helixtrans-57.8-29175.300000112.3S854A850-S854 WeakPolarHBondContact O-CB 3.49Å; A850-S854 PolarHBondContact O-N 3.36Å; A850-S854 VanDerWaalsContact O-N 3.15Å
851Q85.3Confident77.3Confident155 Ų15592.3 Ų92.372%0.72451%0.51SS*.Hα-helixtrans-71.5-41.7174.3-61.4179.71.300111.9S849 S854 L855S849-Q851 PolarHBondContact O-N 3.46Å; S849-Q851 VanDerWaalsContact O-N 3.11Å; S849-Q851 PolarHBondContact OG-N 2.82Å; Q851-S854 PolarHBondContact O-N 3.45Å; Q851-L855 WeakPolarHBondContact O-CB 3.36Å; Q851-L855 PolarHBondContact O-N 2.94Å
852D87.1Confident78.8Confident58 Ų5895.2 Ų95.231%0.3152%0.516SS..Hα-helixtrans-68.5-40.2177.9-69.1-29000111.6F837 V848 S849 L855 Q856F837-D852 HydrophobicContact CZ-CB 3.75Å; V848-D852 HydrophobicContact CG1-CB 3.55Å; S849-D852 WeakPolarHBondContact CB-OD2 3.4Å; S849-D852 WeakPolarHBondContact O-CA 3.49Å; S849-D852 WeakPolarHBondContact O-CB 3.47Å; S849-D852 PolarHBondContact O-N 3.42Å; D852-L855 PolarHBondContact O-N 2.88Å; D852-Q856 WeakPolarHBondContact O-CB 3.18Å; D852-Q856 PolarHBondContact O-N 3.23Å
853A85.8Confident81Confident46 Ų4691.6 Ų91.638%0.3849%0.491SS..Hα-helixtrans-61.8-44.1173.200000111.3V848 S849 L855 Q856 E857V848-A853 HydrophobicContact CG1-CB 4.23Å; S849-A853 PolarHBondContact O-N 3.3Å; A853-L855 VanDerWaalsContact C-N 3.33Å; A853-L855 PolarHBondContact O-N 3.12Å; A853-Q856 PolarHBondContact O-N 2.98Å; A853-E857 WeakPolarHBondContact O-CB 3.19Å; A853-E857 PolarHBondContact O-N 3Å
854S91.1Very high83Confident52 Ų5291.6 Ų91.636%0.36448%0.481SS..Hα-helixtrans-67.9-29.6174.7-177.90000113.1A850 Q851 R858A850-S854 WeakPolarHBondContact O-CB 3.49Å; A850-S854 PolarHBondContact O-N 3.36Å; A850-S854 VanDerWaalsContact O-N 3.15Å; Q851-S854 PolarHBondContact O-N 3.45Å; S854-R858 VanDerWaalsContact O-CG 3.31Å; S854-R858 WeakPolarHBondContact O-CG 3.06Å; S854-R858 PolarHBondContact O-N 3.29Å; S854-R858 PolarHBondContact O-NE 3.45Å
855L92.6Very high85.2Confident53 Ų5385.1 Ų85.128%0.27747%0.465SS..Hα-helixtrans-70.3-48.9171.7-178.957.1000111F833 F837 Q851 D852 A853 E857 R858 V859F833-L855 HydrophobicContact CE1-CG 4.48Å; F833-L855 HydrophobicContact CZ-CD2 4.12Å; F833-L855 HydrophobicContact CZ-CG 4.43Å; F837-L855 HydrophobicContact CE2-CD2 3.89Å; F837-L855 HydrophobicContact CZ-CD2 4.32Å; Q851-L855 WeakPolarHBondContact O-CB 3.36Å; Q851-L855 PolarHBondContact O-N 2.94Å; D852-L855 PolarHBondContact O-N 2.88Å; A853-L855 VanDerWaalsContact C-N 3.33Å; A853-L855 PolarHBondContact O-N 3.12Å; L855-E857 VanDerWaalsContact C-N 3.34Å; L855-E857 PolarHBondContact O-N 3.3Å; L855-R858 PolarHBondContact O-N 2.99Å; L855-V859 HydrophobicContact CD1-CG2 4.29Å; L855-V859 WeakPolarHBondContact O-CG2 3.45Å; L855-V859 PolarHBondContact O-N 3.29Å
856Q89.8Confident87.4Confident65 Ų6574.9 Ų74.930%0.30443%0.427SS..Hα-helixtrans-58-43.9175.9-179.1178-23.100111.7F837 D852 A853 V859 L860F837-Q856 HydrophobicContact CE1-CB 4.14Å; D852-Q856 WeakPolarHBondContact O-CB 3.18Å; D852-Q856 PolarHBondContact O-N 3.23Å; A853-Q856 PolarHBondContact O-N 2.98Å; Q856-V859 PolarHBondContact O-N 3.47Å; Q856-L860 HydrophobicContact CG-CD1 3.92Å; Q856-L860 HydrophobicContact CG-CG 4.45Å; Q856-L860 WeakPolarHBondContact O-CB 3.31Å; Q856-L860 VanDerWaalsContact O-CG 3.26Å; Q856-L860 WeakPolarHBondContact O-CG 3.48Å; Q856-L860 PolarHBondContact O-N 3.21Å
857E91.9Very high89.2Confident130 Ų13075.3 Ų75.361%0.60741%0.411SS*.Hα-helixtrans-60-47.3175.8-176.7178.1-153.300111.8A853 L855 V859 L860 A861A853-E857 WeakPolarHBondContact O-CB 3.19Å; A853-E857 PolarHBondContact O-N 3Å; L855-E857 VanDerWaalsContact C-N 3.34Å; L855-E857 PolarHBondContact O-N 3.3Å; E857-V859 PolarHBondContact O-N 2.91Å; E857-L860 PolarHBondContact O-N 2.85Å; E857-A861 WeakPolarHBondContact O-CB 3.02Å; E857-A861 PolarHBondContact O-N 3.07Å
858R94.4Very high91Very high130 Ų13075 Ų7549%0.49140%0.401SS..Hα-helixtrans-63.7-40.4178.9-75.5178-67.4149.1-0.6112.6S854 L855 A861 Q862S854-R858 VanDerWaalsContact O-CG 3.31Å; S854-R858 WeakPolarHBondContact O-CG 3.06Å; S854-R858 PolarHBondContact O-N 3.29Å; S854-R858 PolarHBondContact O-NE 3.45Å; L855-R858 PolarHBondContact O-N 2.99Å; R858-A861 PolarHBondContact O-N 3.36Å; R858-Q862 PolarHBondContact O-N 3.05Å
859V95.8Very high92.4Very high14 Ų1472.6 Ų72.69%0.08539%0.39CS..Hα-helixtrans-70.8-37176.8-178.50000111.2T830 F833 I834 L855 Q856 E857 Q862 L863T830-V859 HydrophobicContact CG2-CG1 3.99Å; F833-V859 HydrophobicContact CD1-CB 4.44Å; F833-V859 HydrophobicContact CD1-CG1 3.99Å; F833-V859 HydrophobicContact CD1-CG2 4Å; F833-V859 HydrophobicContact CE1-CG2 3.92Å; I834-V859 HydrophobicContact CD1-CG1 3.97Å; I834-V859 HydrophobicContact CG1-CG1 3.81Å; L855-V859 HydrophobicContact CD1-CG2 4.29Å; L855-V859 WeakPolarHBondContact O-CG2 3.45Å; L855-V859 PolarHBondContact O-N 3.29Å; Q856-V859 PolarHBondContact O-N 3.47Å; E857-V859 PolarHBondContact O-N 2.91Å; V859-Q862 PolarHBondContact O-N 2.81Å; V859-L863 WeakPolarHBondContact O-CB 3.36Å; V859-L863 PolarHBondContact O-N 3.13Å
860L93.8Very high93Very high49 Ų4972.1 Ų72.126%0.25738%0.383SS..Hα-helixtrans-64.7-38.1171.4-74.9170.9000112.2I834 Q856 E857 L863 R864I834-L860 HydrophobicContact CD1-CD2 3.8Å; I834-L860 HydrophobicContact CD1-CG 4.34Å; Q856-L860 HydrophobicContact CG-CD1 3.92Å; Q856-L860 HydrophobicContact CG-CG 4.45Å; Q856-L860 WeakPolarHBondContact O-CB 3.31Å; Q856-L860 VanDerWaalsContact O-CG 3.26Å; Q856-L860 WeakPolarHBondContact O-CG 3.48Å; Q856-L860 PolarHBondContact O-N 3.21Å; E857-L860 PolarHBondContact O-N 2.85Å; L860-L863 PolarHBondContact O-N 2.88Å; L860-R864 WeakPolarHBondContact O-CB 3.48Å; L860-R864 WeakPolarHBondContact O-CD 3.31Å; L860-R864 WeakPolarHBondContact O-CG 3.25Å; L860-R864 PolarHBondContact O-N 3.26Å
861A95.8Very high93.6Very high49 Ų4972 Ų7241%0.40537%0.368SS..Hα-helixtrans-64.6-42.2173.200000111.6E857 R858 R864 A865E857-A861 WeakPolarHBondContact O-CB 3.02Å; E857-A861 PolarHBondContact O-N 3.07Å; R858-A861 PolarHBondContact O-N 3.36Å; A861-R864 PolarHBondContact O-N 3.3Å; A861-A865 WeakPolarHBondContact O-CB 3.25Å; A861-A865 PolarHBondContact O-N 3.27Å
862Q96.3Very high94.1Very high104 Ų10467.5 Ų67.549%0.48635%0.349SS..Hα-helixtrans-63.5-43.3174.3-174.4178.7-4.800112.2T826 T830 R858 V859 A865 A866T826-Q862 HydrophobicContact CG2-CG 4.23Å; T830-Q862 HydrophobicContact CG2-CB 4.46Å; T830-Q862 HydrophobicContact CG2-CG 4.09Å; R858-Q862 PolarHBondContact O-N 3.05Å; V859-Q862 PolarHBondContact O-N 2.81Å; Q862-A865 PolarHBondContact O-N 3.48Å; Q862-A866 WeakPolarHBondContact O-CB 3.07Å; Q862-A866 PolarHBondContact O-N 2.82Å
863L96.9Very high94.5Very high21 Ų2164.8 Ų64.811%0.1133%0.334CS..Hα-helixtrans-62.3-45.7175.2174.858.2000111.3V827 M831 I834 V859 L860 A866 L867V827-L863 HydrophobicContact CB-CD1 4.31Å; V827-L863 HydrophobicContact CG1-CD1 4Å; V827-L863 HydrophobicContact CG2-CD1 4.23Å; M831-L863 HydrophobicContact CG-CD1 3.98Å; M831-L863 HydrophobicContact CG-CD2 3.92Å; I834-L863 HydrophobicContact CD1-CD2 3.83Å; V859-L863 WeakPolarHBondContact O-CB 3.36Å; V859-L863 PolarHBondContact O-N 3.13Å; L860-L863 PolarHBondContact O-N 2.88Å; L863-A866 PolarHBondContact O-N 3.32Å; L863-L867 HydrophobicContact CD1-CD1 3.96Å; L863-L867 HydrophobicContact CD1-CG 4.13Å; L863-L867 HydrophobicContact CG-CD1 4.06Å; L863-L867 WeakPolarHBondContact O-CB 3.43Å; L863-L867 VanDerWaalsContact O-CG 3.29Å; L863-L867 WeakPolarHBondContact O-CG 3.43Å; L863-L867 PolarHBondContact O-N 3.26Å
864R96.6Very high94.8Very high139 Ų13964.2 Ų64.253%0.52532%0.323SS..Hα-helixtrans-58.7-50174.4-73.8165.7-177152.6-1111.4L860 A861 A866 L867 Y868L860-R864 WeakPolarHBondContact O-CB 3.48Å; L860-R864 WeakPolarHBondContact O-CD 3.31Å; L860-R864 WeakPolarHBondContact O-CG 3.25Å; L860-R864 PolarHBondContact O-N 3.26Å; A861-R864 PolarHBondContact O-N 3.3Å; R864-A866 VanDerWaalsContact C-N 3.3Å; R864-A866 PolarHBondContact O-N 2.82Å; R864-L867 PolarHBondContact O-N 3.46Å; R864-Y868 HydrophobicContact CB-CD2 4.41Å; R864-Y868 HydrophobicContact CB-CE2 4.18Å; R864-Y868 WeakPolarHBondContact O-CD2 3.35Å; R864-Y868 PolarHBondContact O-N 2.72Å
865A96.6Very high94.9Very high63 Ų6369 Ų6952%0.52134%0.338SS..Hα-helixtrans-60.4-38.3177.800000112.4A861 Q862 G869A861-A865 WeakPolarHBondContact O-CB 3.25Å; A861-A865 PolarHBondContact O-N 3.27Å; Q862-A865 PolarHBondContact O-N 3.48Å; A865-G869 PolarHBondContact O-N 3.48Å
866A96.7Very high95Very high5 Ų570.9 Ų70.94%0.04135%0.351CS..Hα-helixtrans-68.2-39.7175.700000112.4L823 T826 V827 Q862 L863 R864 G869 I870L823-A866 HydrophobicContact CD1-CB 3.9Å; L823-A866 HydrophobicContact CG-CB 4.42Å; L823-A866 WeakPolarHBondContact CG-O 3.5Å; T826-A866 HydrophobicContact CG2-CB 4.16Å; V827-A866 HydrophobicContact CG2-CB 3.67Å; Q862-A866 WeakPolarHBondContact O-CB 3.07Å; Q862-A866 PolarHBondContact O-N 2.82Å; L863-A866 PolarHBondContact O-N 3.32Å; R864-A866 VanDerWaalsContact C-N 3.3Å; R864-A866 PolarHBondContact O-N 2.82Å; A866-G869 PolarHBondContact O-N 3.07Å; A866-I870 WeakPolarHBondContact O-CG1 3.32Å; A866-I870 PolarHBondContact O-N 2.88Å
867L96.4Very high95.2Very high87 Ų8769.4 Ų69.446%0.45535%0.345SS..Hα-helixtrans-67.2-43.2174.8-70.7169.1000112.2V827 L863 R864 I870 H871V827-L867 HydrophobicContact CG1-CD2 4.09Å; V827-L867 HydrophobicContact CG2-CD2 3.98Å; V827-L867 HydrophobicContact CG2-CG 4.19Å; L863-L867 HydrophobicContact CD1-CD1 3.96Å; L863-L867 HydrophobicContact CD1-CG 4.13Å; L863-L867 HydrophobicContact CG-CD1 4.06Å; L863-L867 WeakPolarHBondContact O-CB 3.43Å; L863-L867 VanDerWaalsContact O-CG 3.29Å; L863-L867 WeakPolarHBondContact O-CG 3.43Å; L863-L867 PolarHBondContact O-N 3.26Å; R864-L867 PolarHBondContact O-N 3.46Å; L867-I870 PolarHBondContact O-N 3.14Å; L867-I870 VanDerWaalsContact O-N 3.11Å; L867-H871 PolarHBondContact O-N 2.65Å
868Y97.1Very high95.3Very high146 Ų14668.2 Ų68.257%0.57334%0.342SS*.Hα-helixtrans-60-45.9173-71.9-55000111.1R864 I870 H871 D872R864-Y868 HydrophobicContact CB-CD2 4.41Å; R864-Y868 HydrophobicContact CB-CE2 4.18Å; R864-Y868 WeakPolarHBondContact O-CD2 3.35Å; R864-Y868 PolarHBondContact O-N 2.72Å; Y868-I870 PolarHBondContact O-N 2.83Å; Y868-I870 VanDerWaalsContact O-N 3.11Å; Y868-H871 CarbonylContact O-C 3.55Å; Y868-H871 WeakPolarHBondContact O-CA 3.39Å; Y868-H871 WeakPolarHBondContact O-CB 3.31Å; Y868-H871 PolarHBondContact O-N 2.86Å; Y868-D872 WeakPolarHBondContact O-CB 3.21Å; Y868-D872 PolarHBondContact O-N 3.23Å
869G95.5Very high95.2Very high20 Ų2065.1 Ų65.121%0.20635%0.345CS..Hα-helixtrans-60.4-24.3175.200000114.5A865 A866 I873A865-G869 PolarHBondContact O-N 3.48Å; A866-G869 PolarHBondContact O-N 3.07Å; G869-I873 WeakPolarHBondContact O-CD1 3.34Å; G869-I873 WeakPolarHBondContact O-CG1 3.33Å
870I95.3Very high95.2Very high41 Ų4169.3 Ų69.321%0.2137%0.371CS..Hα-helixtrans-76.8-48.8170.1-65172.3000109.9L823 V827 A866 L867 Y868 D872 I873 F874L823-I870 HydrophobicContact CB-CG1 4.33Å; L823-I870 HydrophobicContact CD2-CB 4.5Å; L823-I870 HydrophobicContact CD2-CG1 3.64Å; L823-I870 HydrophobicContact CG-CD1 4.47Å; L823-I870 HydrophobicContact CG-CG1 3.86Å; V827-I870 HydrophobicContact CG2-CD1 4.03Å; A866-I870 WeakPolarHBondContact O-CG1 3.32Å; A866-I870 PolarHBondContact O-N 2.88Å; L867-I870 PolarHBondContact O-N 3.14Å; L867-I870 VanDerWaalsContact O-N 3.11Å; Y868-I870 PolarHBondContact O-N 2.83Å; Y868-I870 VanDerWaalsContact O-N 3.11Å; I870-D872 VanDerWaalsContact C-N 3.32Å; I870-D872 PolarHBondContact O-N 3.32Å; I870-I873 PolarHBondContact O-N 3.11Å; I870-F874 HydrophobicContact CG2-CD2 4.24Å; I870-F874 HydrophobicContact CG2-CE2 4.33Å; I870-F874 WeakPolarHBondContact O-CD2 3.37Å; I870-F874 PolarHBondContact O-N 2.84Å
871H95.6Very high95.2Very high85 Ų8571.2 Ų71.239%0.39438%0.378SS..Hα-helixtrans-52.6-51.4177.3167.2-90000111L867 Y868 I873 F874 F875 V876L867-H871 PolarHBondContact O-N 2.65Å; Y868-H871 CarbonylContact O-C 3.55Å; Y868-H871 WeakPolarHBondContact O-CA 3.39Å; Y868-H871 WeakPolarHBondContact O-CB 3.31Å; Y868-H871 PolarHBondContact O-N 2.86Å; H871-I873 VanDerWaalsContact C-N 3.31Å; H871-I873 PolarHBondContact O-N 2.91Å; H871-F874 PolarHBondContact O-N 3.11Å; H871-F875 HydrophobicContact CB-CD2 4.47Å; H871-F875 AromaticContact CD2-CD2 3.48Å; H871-F875 VanDerWaalsContact CD2-CD2 3.48Å; H871-F875 WeakPolarHBondContact CD2-CD2 3.29Å; H871-F875 VanDerWaalsContact O-CD2 3.3Å; H871-F875 WeakPolarHBondContact O-CD2 3.28Å; H871-F875 PolarHBondContact O-N 2.98Å; H871-V876 VanDerWaalsContact CE1-CG2 3.5Å; H871-V876 WeakPolarHBondContact CE1-CG2 3.28Å
872D95.5Very high95.1Very high60 Ų6072.1 Ų72.132%0.32137%0.371SS..Iπ-helixtrans-60-43-174.5-59.4-17.3000110.9Y868 I870 F874 V876 M877Y868-D872 WeakPolarHBondContact O-CB 3.21Å; Y868-D872 PolarHBondContact O-N 3.23Å; I870-D872 VanDerWaalsContact C-N 3.32Å; I870-D872 PolarHBondContact O-N 3.32Å; D872-F874 PolarHBondContact O-N 2.89Å; D872-V876 HydrophobicContact CB-CB 4.22Å; D872-V876 HydrophobicContact CB-CG2 4.4Å; D872-V876 PolarHBondContact O-N 3.27Å; D872-M877 WeakPolarHBondContact O-CB 3.36Å; D872-M877 WeakPolarHBondContact O-CG 3.37Å; D872-M877 PolarHBondContact O-N 3.4Å
873I94.3Very high95.1Very high1 Ų170.9 Ų70.91%0.00537%0.366CS..Iπ-helixtrans-66-20.3-179.8-58162.6000113L814 K819 L820 L823 G869 I870 H871 M877 R882 I885L814-I873 HydrophobicContact CD1-CG2 4.12Å; L814-I873 HydrophobicContact CD2-CG2 3.8Å; L814-I873 HydrophobicContact CG-CG2 4.03Å; K819-I873 HydrophobicContact CD-CD1 3.83Å; K819-I873 HydrophobicContact CG-CD1 4.35Å; L820-I873 HydrophobicContact CD1-CD1 3.72Å; L820-I873 HydrophobicContact CD1-CG2 3.98Å; L820-I873 HydrophobicContact CD2-CG2 4.46Å; L820-I873 HydrophobicContact CG-CD1 4.08Å; L823-I873 HydrophobicContact CD2-CD1 4.47Å; G869-I873 WeakPolarHBondContact O-CD1 3.34Å; G869-I873 WeakPolarHBondContact O-CG1 3.33Å; I870-I873 PolarHBondContact O-N 3.11Å; H871-I873 VanDerWaalsContact C-N 3.31Å; H871-I873 PolarHBondContact O-N 2.91Å; I873-M877 HydrophobicContact CB-SD 4.09Å; I873-M877 HydrophobicContact CG1-SD 3.58Å; I873-M877 VanDerWaalsContact CG1-SD 3.58Å; I873-M877 HydrophobicContact CG2-SD 4.37Å; I873-R882 VanDerWaalsContact O-CD 3.25Å; I873-R882 WeakPolarHBondContact O-CD 3.38Å; I873-R882 WeakPolarHBondContact O-CG 3.45Å; I873-I885 HydrophobicContact CG2-CD1 3.95Å
874F93.7Very high95Very high34 Ų3473.5 Ų73.515%0.14939%0.386CS..Iπ-helixtrans-102.1-35.5176.6-74.1-70.4000114.7T811 L814 M815 L820 I870 H871 D872 R882T811-F874 HydrophobicContact CG2-CE1 3.89Å; L814-F874 HydrophobicContact CB-CE1 4.37Å; L814-F874 HydrophobicContact CB-CZ 4.41Å; L814-F874 HydrophobicContact CD2-CD1 4.3Å; L814-F874 HydrophobicContact CD2-CE1 3.79Å; L814-F874 HydrophobicContact CD2-CZ 4.2Å; L814-F874 HydrophobicContact CG-CE1 4.32Å; L814-F874 HydrophobicContact CG-CZ 4.29Å; M815-F874 HydrophobicContact CE-CE2 3.39Å; M815-F874 HydrophobicContact CE-CZ 3.54Å; M815-F874 HydrophobicContact CG-CZ 4.29Å; L820-F874 HydrophobicContact CD2-CE2 3.42Å; L820-F874 VanDerWaalsContact CD2-CE2 3.42Å; L820-F874 HydrophobicContact CD2-CZ 3.62Å; I870-F874 HydrophobicContact CG2-CD2 4.24Å; I870-F874 HydrophobicContact CG2-CE2 4.33Å; I870-F874 WeakPolarHBondContact O-CD2 3.37Å; I870-F874 PolarHBondContact O-N 2.84Å; H871-F874 PolarHBondContact O-N 3.11Å; D872-F874 PolarHBondContact O-N 2.89Å; F874-R882 PolarHBondContact O-NH1 3.38Å
875F92.9Very high94.8Very high153 Ų15368.1 Ų68.167%0.67137%0.368SS*.Iπ-helixtrans-114.3-27.6-167.1-58.8-74.1000114.1H871H871-F875 HydrophobicContact CB-CD2 4.47Å; H871-F875 AromaticContact CD2-CD2 3.48Å; H871-F875 VanDerWaalsContact CD2-CD2 3.48Å; H871-F875 WeakPolarHBondContact CD2-CD2 3.29Å; H871-F875 VanDerWaalsContact O-CD2 3.3Å; H871-F875 WeakPolarHBondContact O-CD2 3.28Å; H871-F875 PolarHBondContact O-N 2.98Å
876V94.4Very high94.7Very high93 Ų9365.5 Ų65.556%0.56435%0.345SS*.Iπ-helixtrans-106-44.3-176.1-173.90000112.4H871 D872H871-V876 VanDerWaalsContact CE1-CG2 3.5Å; H871-V876 WeakPolarHBondContact CE1-CG2 3.28Å; D872-V876 HydrophobicContact CB-CB 4.22Å; D872-V876 HydrophobicContact CB-CG2 4.4Å; D872-V876 PolarHBondContact O-N 3.27Å
877M93Very high94.6Very high33 Ų3370.4 Ų70.416%0.16337%0.367CS..SBendtrans-67.3142.1-176.3-73.6-171.66700112.3D872 I873 E881 R882 I885D872-M877 WeakPolarHBondContact O-CB 3.36Å; D872-M877 WeakPolarHBondContact O-CG 3.37Å; D872-M877 PolarHBondContact O-N 3.4Å; I873-M877 HydrophobicContact CB-SD 4.09Å; I873-M877 HydrophobicContact CG1-SD 3.58Å; I873-M877 VanDerWaalsContact CG1-SD 3.58Å; I873-M877 HydrophobicContact CG2-SD 4.37Å; M877-E881 VanDerWaalsContact CA-OE2 3.31Å; M877-E881 WeakPolarHBondContact CA-OE2 3.36Å; M877-E881 WeakPolarHBondContact CB-OE2 3.28Å; M877-E881 HydrophobicContact CE-CB 3.42Å; M877-E881 VanDerWaalsContact CE-CB 3.42Å; M877-E881 HydrophobicContact CE-CG 4.25Å; M877-R882 HydrophobicContact CB-CG 4.48Å; M877-R882 PolarHBondContact O-NE 3.07Å; M877-R882 PolarHBondContact O-NH2 3.05Å; M877-I885 HydrophobicContact CE-CD1 3.86Å; M877-I885 HydrophobicContact SD-CD1 4.26Å
878D94.7Very high94.4Very high105 Ų10572.3 Ų72.356%0.56137%0.373SS*.  trans-67.9163.9-177.1-86.9-32.2000113.1T880 E881 R882D878-T880 VanDerWaalsContact C-N 3.25Å; D878-T880 WeakPolarHBondContact CB-OG1 3.37Å; D878-T880 PolarHBondContact O-N 2.89Å; D878-E881 HydrophobicContact CB-CG 4.2Å; D878-E881 PolarHBondContact N-OE2 2.79Å; D878-E881 PolarHBondContact O-N 3.22Å; D878-R882 WeakPolarHBondContact O-CB 3.47Å; D878-R882 WeakPolarHBondContact O-CG 3.42Å; D878-R882 PolarHBondContact O-N 2.68Å; D878-R882 PolarHBondContact O-NE 2.71Å
879A93.3Very high94.2Very high66 Ų6666 Ų6655%0.54535%0.349SS..Hα-helixtrans-61-37.417300000111.6M883A879-M883 WeakPolarHBondContact O-CG 3.46Å; A879-M883 PolarHBondContact O-N 3Å
880T94Very high94.1Very high101 Ų10171.1 Ų71.162%0.6236%0.362SS*.Hα-helixtrans-60.3-50.3175.947.10000111.6D878 M883 S884D878-T880 VanDerWaalsContact C-N 3.25Å; D878-T880 WeakPolarHBondContact CB-OG1 3.37Å; D878-T880 PolarHBondContact O-N 2.89Å; T880-M883 PolarHBondContact O-N 2.81Å; T880-S884 PolarHBondContact O-N 3.32Å
881E93.9Very high94Very high89 Ų8972.2 Ų72.242%0.41637%0.367SS..Hα-helixtrans-65.5-42.1179.2-56-176.3114.200112M877 D878 M883 S884 I885M877-E881 VanDerWaalsContact CA-OE2 3.31Å; M877-E881 WeakPolarHBondContact CA-OE2 3.36Å; M877-E881 WeakPolarHBondContact CB-OE2 3.28Å; M877-E881 HydrophobicContact CE-CB 3.42Å; M877-E881 VanDerWaalsContact CE-CB 3.42Å; M877-E881 HydrophobicContact CE-CG 4.25Å; D878-E881 HydrophobicContact CB-CG 4.2Å; D878-E881 PolarHBondContact N-OE2 2.79Å; D878-E881 PolarHBondContact O-N 3.22Å; E881-M883 VanDerWaalsContact C-N 3.29Å; E881-M883 PolarHBondContact O-N 2.82Å; E881-S884 WeakPolarHBondContact O-CA 3.4Å; E881-S884 VanDerWaalsContact O-CB 3.29Å; E881-S884 WeakPolarHBondContact O-CB 3.35Å; E881-S884 PolarHBondContact O-N 2.88Å; E881-I885 WeakPolarHBondContact O-CG1 3.48Å; E881-I885 PolarHBondContact O-N 3.02Å
882R94.8Very high93.8Very high69 Ų6969.7 Ų69.726%0.2636%0.357SS..Hα-helixtrans-58.8-40.2172.9-76.3-179.9-99-160.7-8.7112L814 I873 F874 M877 D878 S884 I885 L886L814-R882 HydrophobicContact CD2-CB 4.36Å; L814-R882 HydrophobicContact CD2-CG 3.97Å; I873-R882 VanDerWaalsContact O-CD 3.25Å; I873-R882 WeakPolarHBondContact O-CD 3.38Å; I873-R882 WeakPolarHBondContact O-CG 3.45Å; F874-R882 PolarHBondContact O-NH1 3.38Å; M877-R882 HydrophobicContact CB-CG 4.48Å; M877-R882 PolarHBondContact O-NE 3.07Å; M877-R882 PolarHBondContact O-NH2 3.05Å; D878-R882 WeakPolarHBondContact O-CB 3.47Å; D878-R882 WeakPolarHBondContact O-CG 3.42Å; D878-R882 PolarHBondContact O-N 2.68Å; D878-R882 PolarHBondContact O-NE 2.71Å; R882-S884 VanDerWaalsContact C-N 3.35Å; R882-I885 PolarHBondContact O-N 3.38Å; R882-L886 WeakPolarHBondContact O-CG 3.35Å; R882-L886 PolarHBondContact O-N 3.09Å; R882-L886 VanDerWaalsContact O-N 3.17Å
883M95.3Very high93.5Very high78 Ų7872.1 Ų72.138%0.38436%0.362SS..Hα-helixtrans-68.9-32.9173.5-69-47.6101.500112.1L810 A879 T880 E881 L886 H887L810-M883 HydrophobicContact CD1-CE 4.08Å; L810-M883 HydrophobicContact CD1-SD 4.45Å; L810-M883 HydrophobicContact CD2-CE 4.18Å; L810-M883 HydrophobicContact CD2-SD 4.13Å; A879-M883 WeakPolarHBondContact O-CG 3.46Å; A879-M883 PolarHBondContact O-N 3Å; T880-M883 PolarHBondContact O-N 2.81Å; E881-M883 VanDerWaalsContact C-N 3.29Å; E881-M883 PolarHBondContact O-N 2.82Å; M883-L886 HydrophobicContact CE-CD1 3.74Å; M883-L886 CarbonylContact O-C 3.58Å; M883-L886 PolarHBondContact O-N 2.87Å; M883-L886 HydrophobicContact SD-CD1 4.03Å; M883-H887 WeakPolarHBondContact O-CB 3.38Å; M883-H887 PolarHBondContact O-N 3.46Å
884S94.8Very high93.4Very high75 Ų7578.1 Ų78.152%0.52439%0.388SS..Hα-helixtrans-63.5-42.4173.2-171.80000112.4T880 E881 R882 L886 H887 H888T880-S884 PolarHBondContact O-N 3.32Å; E881-S884 WeakPolarHBondContact O-CA 3.4Å; E881-S884 VanDerWaalsContact O-CB 3.29Å; E881-S884 WeakPolarHBondContact O-CB 3.35Å; E881-S884 PolarHBondContact O-N 2.88Å; R882-S884 VanDerWaalsContact C-N 3.35Å; S884-L886 VanDerWaalsContact C-N 3.34Å; S884-L886 PolarHBondContact O-N 3.22Å; S884-H887 PolarHBondContact O-N 2.87Å; S884-H888 PolarHBondContact O-N 3.42Å
885I94Very high93.3Very high27 Ų2780.7 Ų80.714%0.13840%0.4CS..Hα-helixtrans-59.6-45.7172.1-59.4171000110.3L814 T817 K819 I873 M877 E881 R882 H887 H888 D889L814-I885 HydrophobicContact CD1-CB 4.17Å; L814-I885 HydrophobicContact CD1-CD1 4.41Å; L814-I885 HydrophobicContact CD1-CG2 3.96Å; T817-I885 HydrophobicContact CG2-CG2 4.03Å; K819-I885 HydrophobicContact CD-CD1 4.31Å; I873-I885 HydrophobicContact CG2-CD1 3.95Å; M877-I885 HydrophobicContact CE-CD1 3.86Å; M877-I885 HydrophobicContact SD-CD1 4.26Å; E881-I885 WeakPolarHBondContact O-CG1 3.48Å; E881-I885 PolarHBondContact O-N 3.02Å; R882-I885 PolarHBondContact O-N 3.38Å; I885-H887 VanDerWaalsContact C-N 3.34Å; I885-H887 PolarHBondContact O-N 3.49Å; I885-H888 PolarHBondContact O-N 2.84Å; I885-D889 WeakPolarHBondContact O-CB 3.35Å; I885-D889 PolarHBondContact O-N 3.08Å
886L94.4Very high93.2Very high8 Ų878 Ų784%0.04239%0.388CS..Hα-helixtrans-67-31.3177.5-69.5-178.7000113.4L810 R813 L814 T817 R882 M883 S884 R890L810-L886 HydrophobicContact CD2-CD1 3.75Å; R813-L886 HydrophobicContact CB-CD2 3.79Å; L814-L886 HydrophobicContact CB-CD2 4.38Å; L814-L886 HydrophobicContact CD1-CD2 4.27Å; L814-L886 HydrophobicContact CD1-CG 4.35Å; T817-L886 HydrophobicContact CG2-CD2 3.81Å; R882-L886 WeakPolarHBondContact O-CG 3.35Å; R882-L886 PolarHBondContact O-N 3.09Å; R882-L886 VanDerWaalsContact O-N 3.17Å; M883-L886 HydrophobicContact CE-CD1 3.74Å; M883-L886 CarbonylContact O-C 3.58Å; M883-L886 PolarHBondContact O-N 2.87Å; M883-L886 HydrophobicContact SD-CD1 4.03Å; S884-L886 VanDerWaalsContact C-N 3.34Å; S884-L886 PolarHBondContact O-N 3.22Å; L886-R890 VanDerWaalsContact O-CG 3.24Å; L886-R890 WeakPolarHBondContact O-CG 3.46Å; L886-R890 PolarHBondContact O-N 2.85Å
887H93.2Very high93Very high108 Ų10879 Ų7950%0.539%0.388SS..Hα-helixtrans-67.6-50.6173.3176.3-101.5000110.4M883 S884 I885 D889 R890 E891M883-H887 WeakPolarHBondContact O-CB 3.38Å; M883-H887 PolarHBondContact O-N 3.46Å; S884-H887 PolarHBondContact O-N 2.87Å; I885-H887 VanDerWaalsContact C-N 3.34Å; I885-H887 PolarHBondContact O-N 3.49Å; H887-D889 VanDerWaalsContact C-N 3.3Å; H887-D889 PolarHBondContact O-N 3.31Å; H887-R890 WeakPolarHBondContact O-CA 3.46Å; H887-R890 WeakPolarHBondContact O-CB 3.49Å; H887-R890 PolarHBondContact O-N 3.09Å; H887-E891 PolarHBondContact O-N 2.88Å
888H92.9Very high92.9Very high126 Ų12682.3 Ų82.358%0.58341%0.406SS*.Hα-helixtrans-58.9-40.5177.5-17264.8000112.2S884 I885 R890 E891 V892S884-H888 PolarHBondContact O-N 3.42Å; I885-H888 PolarHBondContact O-N 2.84Å; H888-R890 VanDerWaalsContact C-N 3.32Å; H888-R890 PolarHBondContact O-N 3.05Å; H888-E891 PolarHBondContact O-N 3.13Å; H888-V892 WeakPolarHBondContact O-CB 3.31Å; H888-V892 VanDerWaalsContact O-CG2 3.31Å; H888-V892 WeakPolarHBondContact O-CG2 3.5Å; H888-V892 PolarHBondContact O-N 2.83Å
889D93.9Very high92.5Very high14 Ų1483.5 Ų83.58%0.07540%0.403CS..Hα-helixtrans-64.7-31.7174.8-173.786.8000113.2T817 I885 H887 R893T817-D889 WeakPolarHBondContact CA-OD1 3.3Å; T817-D889 HydrophobicContact CG2-CB 3.84Å; I885-D889 WeakPolarHBondContact O-CB 3.35Å; I885-D889 PolarHBondContact O-N 3.08Å; H887-D889 VanDerWaalsContact C-N 3.3Å; H887-D889 PolarHBondContact O-N 3.31Å; D889-R893 WeakPolarHBondContact O-CB 3.49Å; D889-R893 WeakPolarHBondContact O-CG 3.5Å; D889-R893 PolarHBondContact O-N 3.22Å; D889-R893 VanDerWaalsContact O-N 3.12Å; D889-R893 PolarHBondContact O-NE 3.05Å; D889-R893 PolarHBondContact O-NH2 2.86Å; D889-R893 IonicContact OD2-CZ 2.65Å; D889-R893 IonicContact OD2-NE 3.31Å; D889-R893 PolarHBondContact OD2-NE 2.9Å; D889-R893 IonicContact OD2-NH2 2.85Å; D889-R893 PolarHBondContact OD2-NH2 3.48Å
890R92.9Very high92.2Very high127 Ų12785.4 Ų85.448%0.47940%0.4SS..Hα-helixtrans-66.6-48.8170.8-68.8164.2-166.7-158.94111.1L886 H887 H888 R893 K894L886-R890 VanDerWaalsContact O-CG 3.24Å; L886-R890 WeakPolarHBondContact O-CG 3.46Å; L886-R890 PolarHBondContact O-N 2.85Å; H887-R890 WeakPolarHBondContact O-CA 3.46Å; H887-R890 WeakPolarHBondContact O-CB 3.49Å; H887-R890 PolarHBondContact O-N 3.09Å; H888-R890 VanDerWaalsContact C-N 3.32Å; H888-R890 PolarHBondContact O-N 3.05Å; R890-R893 PolarHBondContact O-N 3.45Å; R890-R893 VanDerWaalsContact O-N 3.16Å; R890-K894 PolarHBondContact O-N 3.49Å
891E93.4Very high91.5Very high65 Ų6584 Ų8430%0.30439%0.387SS..Hα-helixtrans-67.5-39.7-177.8-58.5-41.9100.900111.9H887 H888 R893 K894 E895H887-E891 PolarHBondContact O-N 2.88Å; H888-E891 PolarHBondContact O-N 3.13Å; E891-R893 VanDerWaalsContact C-N 3.29Å; E891-R893 PolarHBondContact O-N 3.29Å; E891-K894 PolarHBondContact O-N 2.85Å; E891-K894 VanDerWaalsContact OE1-CE 3.24Å; E891-K894 WeakPolarHBondContact OE1-CE 3.37Å; E891-K894 IonicContact OE1-NZ 3.18Å; E891-K894 PolarHBondContact OE1-NZ 2.89Å; E891-K894 VanDerWaalsContact OE2-CD 3.32Å; E891-K894 WeakPolarHBondContact OE2-CD 3.38Å; E891-K894 IonicContact OE2-NZ 2.67Å; E891-K894 PolarHBondContact OE2-NZ 3.36Å; E891-E895 WeakPolarHBondContact O-CB 3.23Å; E891-E895 PolarHBondContact O-N 3.39Å
892V91.6Very high90.7Very high32 Ų3283.9 Ų83.919%0.19439%0.39CS..Hα-helixtrans-61.7-36.4172.31680000111.5H888 K896H888-V892 WeakPolarHBondContact O-CB 3.31Å; H888-V892 VanDerWaalsContact O-CG2 3.31Å; H888-V892 WeakPolarHBondContact O-CG2 3.5Å; H888-V892 PolarHBondContact O-N 2.83Å; V892-K896 HydrophobicContact CG1-CD 3.94Å; V892-K896 HydrophobicContact CG1-CG 4.49Å; V892-K896 VanDerWaalsContact O-CB 3.31Å; V892-K896 WeakPolarHBondContact O-CB 3.24Å; V892-K896 WeakPolarHBondContact O-CD 3.45Å; V892-K896 WeakPolarHBondContact O-CG 3.34Å; V892-K896 PolarHBondContact O-N 3.4Å
893R89Confident89.9Confident111 Ų11188.1 Ų88.142%0.41941%0.41SS..Hα-helixtrans-70.8-40.6173.2-80.9-177.3-76.794.71.5112.8D889 R890 E891 K896 M897D889-R893 WeakPolarHBondContact O-CB 3.49Å; D889-R893 WeakPolarHBondContact O-CG 3.5Å; D889-R893 PolarHBondContact O-N 3.22Å; D889-R893 VanDerWaalsContact O-N 3.12Å; D889-R893 PolarHBondContact O-NE 3.05Å; D889-R893 PolarHBondContact O-NH2 2.86Å; D889-R893 IonicContact OD2-CZ 2.65Å; D889-R893 IonicContact OD2-NE 3.31Å; D889-R893 PolarHBondContact OD2-NE 2.9Å; D889-R893 IonicContact OD2-NH2 2.85Å; D889-R893 PolarHBondContact OD2-NH2 3.48Å; R890-R893 PolarHBondContact O-N 3.45Å; R890-R893 VanDerWaalsContact O-N 3.16Å; E891-R893 VanDerWaalsContact C-N 3.29Å; E891-R893 PolarHBondContact O-N 3.29Å; R893-K896 PolarHBondContact O-N 3.13Å; R893-M897 PolarHBondContact O-N 2.82Å
894K92.2Very high88.5Confident127 Ų12791.1 Ų91.155%0.55243%0.425SS*.Hα-helixtrans-58.9-47.3171.7-71.3174.8-176.5166.60111R890 E891 M897 L898R890-K894 PolarHBondContact O-N 3.49Å; E891-K894 PolarHBondContact O-N 2.85Å; E891-K894 VanDerWaalsContact OE1-CE 3.24Å; E891-K894 WeakPolarHBondContact OE1-CE 3.37Å; E891-K894 IonicContact OE1-NZ 3.18Å; E891-K894 PolarHBondContact OE1-NZ 2.89Å; E891-K894 VanDerWaalsContact OE2-CD 3.32Å; E891-K894 WeakPolarHBondContact OE2-CD 3.38Å; E891-K894 IonicContact OE2-NZ 2.67Å; E891-K894 PolarHBondContact OE2-NZ 3.36Å; K894-M897 PolarHBondContact O-N 3.01Å; K894-L898 WeakPolarHBondContact O-CB 3.32Å; K894-L898 PolarHBondContact O-N 3.21Å
895E91Very high87.2Confident88 Ų8895.8 Ų95.841%0.41144%0.436SS..Hα-helixtrans-64.7-42.1179.2-162.7-162.6171.300111.7E891 M897 L898 R899E891-E895 WeakPolarHBondContact O-CB 3.23Å; E891-E895 PolarHBondContact O-N 3.39Å; E895-M897 VanDerWaalsContact C-N 3.3Å; E895-M897 PolarHBondContact O-N 3.17Å; E895-L898 PolarHBondContact O-N 3.21Å; E895-R899 HydrophobicContact CG-CG 4.45Å; E895-R899 VanDerWaalsContact O-CB 3.31Å; E895-R899 WeakPolarHBondContact O-CB 3.33Å; E895-R899 VanDerWaalsContact O-CG 3.27Å; E895-R899 WeakPolarHBondContact O-CG 3.28Å; E895-R899 PolarHBondContact O-N 2.85Å; E895-R899 IonicContact OE1-CZ 2.72Å; E895-R899 IonicContact OE1-NE 3.26Å; E895-R899 PolarHBondContact OE1-NE 2.81Å; E895-R899 IonicContact OE1-NH2 2.65Å; E895-R899 PolarHBondContact OE1-NH2 2.94Å
896K91.4Very high84.8Confident95 Ų9596.6 Ų96.641%0.41344%0.444SS..Hα-helixtrans-58.7-39.8173.2-76.8166.7-178.2171.50111.6D818 V892 R893 Q900D818-K896 IonicContact OD2-NZ 3.16Å; D818-K896 PolarHBondContact OD2-NZ 2.76Å; V892-K896 HydrophobicContact CG1-CD 3.94Å; V892-K896 HydrophobicContact CG1-CG 4.49Å; V892-K896 VanDerWaalsContact O-CB 3.31Å; V892-K896 WeakPolarHBondContact O-CB 3.24Å; V892-K896 WeakPolarHBondContact O-CD 3.45Å; V892-K896 WeakPolarHBondContact O-CG 3.34Å; V892-K896 PolarHBondContact O-N 3.4Å; R893-K896 PolarHBondContact O-N 3.13Å; K896-Q900 WeakPolarHBondContact O-CG 3.39Å; K896-Q900 PolarHBondContact O-N 2.9Å
897M89.6Confident82.6Confident115 Ų115101.8 Ų101.857%0.56748%0.478SS*.Hα-helixtrans-74.4-41.3175.5-73.2-162.973.400113.2R893 K894 E895 R899 Q900 M901R893-M897 PolarHBondContact O-N 2.82Å; K894-M897 PolarHBondContact O-N 3.01Å; E895-M897 VanDerWaalsContact C-N 3.3Å; E895-M897 PolarHBondContact O-N 3.17Å; M897-R899 PolarHBondContact O-N 3.05Å; M897-Q900 CarbonylContact O-C 3.6Å; M897-Q900 WeakPolarHBondContact O-CA 3.45Å; M897-Q900 WeakPolarHBondContact O-CB 3.37Å; M897-Q900 PolarHBondContact O-N 3.06Å; M897-M901 WeakPolarHBondContact O-CG 3.36Å; M897-M901 PolarHBondContact O-N 2.64Å
898L89.9Confident80.6Confident103 Ų103106.5 Ų106.554%0.53949%0.491SS..Hα-helixtrans-58.2-49.2175.4-177.960000110.2K894 E895 Q900 M901 D902K894-L898 WeakPolarHBondContact O-CB 3.32Å; K894-L898 PolarHBondContact O-N 3.21Å; E895-L898 PolarHBondContact O-N 3.21Å; L898-Q900 PolarHBondContact O-N 3.38Å; L898-Q900 VanDerWaalsContact O-N 3.09Å; L898-M901 CarbonylContact O-C 3.56Å; L898-M901 WeakPolarHBondContact O-CA 3.45Å; L898-M901 WeakPolarHBondContact O-CB 3.25Å; L898-M901 PolarHBondContact O-N 2.91Å; L898-D902 PolarHBondContact O-N 3.28Å
899R87.9Confident78.8Confident130 Ų130106.3 Ų106.349%0.49150%0.499SS..Hα-helixtrans-64.6-10.9173.5-68.7171.6174.2-121.318114.8E895 M897 K903E895-R899 HydrophobicContact CG-CG 4.45Å; E895-R899 VanDerWaalsContact O-CB 3.31Å; E895-R899 WeakPolarHBondContact O-CB 3.33Å; E895-R899 VanDerWaalsContact O-CG 3.27Å; E895-R899 WeakPolarHBondContact O-CG 3.28Å; E895-R899 PolarHBondContact O-N 2.85Å; E895-R899 IonicContact OE1-CZ 2.72Å; E895-R899 IonicContact OE1-NE 3.26Å; E895-R899 PolarHBondContact OE1-NE 2.81Å; E895-R899 IonicContact OE1-NH2 2.65Å; E895-R899 PolarHBondContact OE1-NH2 2.94Å; M897-R899 PolarHBondContact O-N 3.05Å; R899-K903 VanDerWaalsContact O-CD 3.27Å; R899-K903 WeakPolarHBondContact O-CD 3.3Å; R899-K903 VanDerWaalsContact O-CE 3.3Å; R899-K903 WeakPolarHBondContact O-CE 3.44Å; R899-K903 VanDerWaalsContact O-CG 3.29Å; R899-K903 WeakPolarHBondContact O-CG 3.32Å
900Q86.9Confident77Confident105 Ų105110.4 Ų110.449%0.49153%0.534SS..Hα-helixtrans-90.7-41.2167.8-77.1174.6-4.700110.8K896 M897 L898 D902 K903 M904K896-Q900 WeakPolarHBondContact O-CG 3.39Å; K896-Q900 PolarHBondContact O-N 2.9Å; M897-Q900 CarbonylContact O-C 3.6Å; M897-Q900 WeakPolarHBondContact O-CA 3.45Å; M897-Q900 WeakPolarHBondContact O-CB 3.37Å; M897-Q900 PolarHBondContact O-N 3.06Å; L898-Q900 PolarHBondContact O-N 3.38Å; L898-Q900 VanDerWaalsContact O-N 3.09Å; Q900-D902 VanDerWaalsContact C-N 3.34Å; Q900-D902 PolarHBondContact O-N 2.96Å; Q900-K903 WeakPolarHBondContact O-CB 3.38Å; Q900-K903 PolarHBondContact O-N 3.2Å; Q900-M904 WeakPolarHBondContact O-CG 3.07Å; Q900-M904 PolarHBondContact O-N 3.07Å; Q900-M904 VanDerWaalsContact O-N 3.07Å
901M78.8Confident75.5Confident71 Ų71108.1 Ų108.135%0.3553%0.531SS..Hα-helixtrans-61.5-40.6172.5-65-619600111.5M897 L898 K903 M904 K905M897-M901 WeakPolarHBondContact O-CG 3.36Å; M897-M901 PolarHBondContact O-N 2.64Å; L898-M901 CarbonylContact O-C 3.56Å; L898-M901 WeakPolarHBondContact O-CA 3.45Å; L898-M901 WeakPolarHBondContact O-CB 3.25Å; L898-M901 PolarHBondContact O-N 2.91Å; M901-K903 PolarHBondContact O-N 3.3Å; M901-M904 HydrophobicContact CE-SD 3.61Å; M901-M904 CarbonylContact O-C 3.59Å; M901-M904 PolarHBondContact O-N 2.82Å; M901-K905 VanDerWaalsContact O-CB 3.27Å; M901-K905 WeakPolarHBondContact O-CB 3.21Å; M901-K905 VanDerWaalsContact O-CG 3.3Å; M901-K905 WeakPolarHBondContact O-CG 3.47Å; M901-K905 PolarHBondContact O-N 3.49Å
902D77.8Confident74.3Confident87 Ų87108.9 Ų108.947%0.46554%0.544SS..Hα-helixtrans-60.9-33.9176.1-59.9-28.4000112.3L898 Q900 S906L898-D902 PolarHBondContact O-N 3.28Å; Q900-D902 VanDerWaalsContact C-N 3.34Å; Q900-D902 PolarHBondContact O-N 2.96Å; D902-S906 PolarHBondContact O-N 2.95Å
903K76.7Confident73Confident158 Ų158111.5 Ų111.569%0.68757%0.569SS**Hα-helixtrans-74.5-29.6175-66.4171.7-174.9-1760112.8R899 Q900 M901R899-K903 VanDerWaalsContact O-CD 3.27Å; R899-K903 WeakPolarHBondContact O-CD 3.3Å; R899-K903 VanDerWaalsContact O-CE 3.3Å; R899-K903 WeakPolarHBondContact O-CE 3.44Å; R899-K903 VanDerWaalsContact O-CG 3.29Å; R899-K903 WeakPolarHBondContact O-CG 3.32Å; Q900-K903 WeakPolarHBondContact O-CB 3.38Å; Q900-K903 PolarHBondContact O-N 3.2Å; M901-K903 PolarHBondContact O-N 3.3Å
904M66.3Low71.9Confident141 Ų141109.9 Ų109.970%0.69558%0.579SS**Hα-helixtrans-87.9-35.7-179.9-71.3176.8166.600112.5Q900 M901 S906Q900-M904 WeakPolarHBondContact O-CG 3.07Å; Q900-M904 PolarHBondContact O-N 3.07Å; Q900-M904 VanDerWaalsContact O-N 3.07Å; M901-M904 HydrophobicContact CE-SD 3.61Å; M901-M904 CarbonylContact O-C 3.59Å; M901-M904 PolarHBondContact O-N 2.82Å; M904-S906 PolarHBondContact O-N 2.81Å
905K67.1Low71.2Confident173 Ų173107 Ų10775%0.75257%0.573SS**SBendtrans-74.7-11.6174.8-69.2-177.9175.2-1670113.2M901M901-K905 VanDerWaalsContact O-CB 3.27Å; M901-K905 WeakPolarHBondContact O-CB 3.21Å; M901-K905 VanDerWaalsContact O-CG 3.3Å; M901-K905 WeakPolarHBondContact O-CG 3.47Å; M901-K905 PolarHBondContact O-N 3.49Å
906S44.3Very low70.7Confident44 Ų44106.4 Ų106.431%0.30857%0.57SS.*  trans-133.877.2174.4-179.90000111D902 M904 R908D902-S906 PolarHBondContact O-N 2.95Å; M904-S906 PolarHBondContact O-N 2.81Å; S906-R908 PolarHBondContact O-N 3.15Å
907P48.8Very low70.2Confident118 Ų118108.3 Ų108.377%0.76658%0.578SS**  trans-70.224.8166.633.9-36.8000112.6V909P907-V909 PolarHBondContact O-N 3.03Å
908R50.5Low69.7Low207 Ų207106.3 Ų106.378%0.78158%0.575SS**SBendtrans-71.7116165.4-75.2-175.9-76.8-135.6-2.4108S906 A910S906-R908 PolarHBondContact O-N 3.15Å; R908-A910 PolarHBondContact O-N 3.3Å
909V55.5Low69.3Low122 Ų122104.9 Ų104.974%0.73957%0.568SS**  trans-25.1125.8167.4176.90000110.7P907 L911P907-V909 PolarHBondContact O-N 3.03Å; V909-L911 HydrophobicContact CG1-CD2 4.48Å; V909-L911 PolarHBondContact O-N 3.04Å
910A54.9Low68.8Low99 Ų99101.1 Ų101.182%0.81856%0.557SS**  trans-70.175.3-174.800000111.6R908 S912R908-A910 PolarHBondContact O-N 3.3Å; A910-S912 PolarHBondContact O-N 3.38Å; A910-S912 VanDerWaalsContact O-N 3.12Å
911L62.3Low68.5Low80 Ų80104.3 Ų104.342%0.41957%0.565SS.*  trans-55.7117.7174.4-63.6-178.4000108.6V909 T915 L919V909-L911 HydrophobicContact CG1-CD2 4.48Å; V909-L911 PolarHBondContact O-N 3.04Å; L911-T915 HydrophobicContact CB-CG2 4.43Å; L911-T915 HydrophobicContact CD2-CG2 4.24Å; L911-L919 HydrophobicContact CD1-CD1 3.75Å
912S67.1Low68.7Low81 Ų81107.6 Ų107.657%0.56658%0.577SS**  trans-46.1144.9177.8-64.40000111.1A910 A914 T915 Q916A910-S912 PolarHBondContact O-N 3.38Å; A910-S912 VanDerWaalsContact O-N 3.12Å; S912-A914 CarbonylContact O-C 3.58Å; S912-A914 PolarHBondContact O-N 3.37Å; S912-T915 WeakPolarHBondContact O-CA 3.38Å; S912-T915 WeakPolarHBondContact O-CB 3.5Å; S912-T915 PolarHBondContact O-N 3.43Å; S912-Q916 PolarHBondContact O-N 3.21Å
913A66Low68.8Low87 Ų87109.1 Ų109.172%0.71958%0.58SS**Hα-helixtrans-55.7-25.1-175.500000113.7K917A913-K917 WeakPolarHBondContact O-CB 3.35Å; A913-K917 PolarHBondContact O-N 3.45Å; A913-K917 VanDerWaalsContact O-N 3.15Å
914A65.6Low68.5Low77 Ų77110.1 Ų110.164%0.63658%0.581SS**Hα-helixtrans-66.9-47.8168.700000112.9S912 K917 S918S912-A914 CarbonylContact O-C 3.58Å; S912-A914 PolarHBondContact O-N 3.37Å; A914-K917 PolarHBondContact O-N 3.14Å; A914-S918 WeakPolarHBondContact O-CB 3.36Å; A914-S918 PolarHBondContact O-N 3.17Å
915T76.7Confident68.8Low67 Ų67109.6 Ų109.641%0.41158%0.578SS.*Hα-helixtrans-64.8-42.8178.2-43.60000112L911 S912 S918 L919L911-T915 HydrophobicContact CB-CG2 4.43Å; L911-T915 HydrophobicContact CD2-CG2 4.24Å; S912-T915 WeakPolarHBondContact O-CA 3.38Å; S912-T915 WeakPolarHBondContact O-CB 3.5Å; S912-T915 PolarHBondContact O-N 3.43Å; T915-S918 WeakPolarHBondContact O-CB 3.49Å; T915-S918 PolarHBondContact O-N 3.1Å; T915-L919 PolarHBondContact O-N 3.12Å
916Q79.7Confident69.1Low75 Ų75106.8 Ų106.835%0.3557%0.566SS.*Hα-helixtrans-60.9-48.3173.4-177.76040.400111S912 S918 L919 D920S912-Q916 PolarHBondContact O-N 3.21Å; Q916-S918 PolarHBondContact O-N 2.91Å; Q916-L919 PolarHBondContact O-N 2.82Å; Q916-D920 VanDerWaalsContact NE2-CG 3.26Å; Q916-D920 PolarHBondContact NE2-OD1 2.93Å; Q916-D920 VanDerWaalsContact NE2-OD1 3.1Å; Q916-D920 PolarHBondContact NE2-OD2 3.35Å; Q916-D920 PolarHBondContact O-N 3.47Å
917K81.6Confident70.2Confident134 Ų134106.8 Ų106.858%0.58357%0.568SS**Hα-helixtrans-65.4-26177.5-169.7174.8-176.1179.20113.2A913 A914 R921A913-K917 WeakPolarHBondContact O-CB 3.35Å; A913-K917 PolarHBondContact O-N 3.45Å; A913-K917 VanDerWaalsContact O-N 3.15Å; A914-K917 PolarHBondContact O-N 3.14Å; K917-R921 WeakPolarHBondContact O-CB 3.45Å; K917-R921 WeakPolarHBondContact O-CD 3.3Å; K917-R921 VanDerWaalsContact O-CG 3.25Å; K917-R921 WeakPolarHBondContact O-CG 3.45Å; K917-R921 PolarHBondContact O-N 2.77Å
918S80.2Confident71Confident74 Ų74104.5 Ų104.552%0.51756%0.559SS.*Hα-helixtrans-71.4-49.7170.4179.70000111.4A914 T915 Q916 D920 R921 K922A914-S918 WeakPolarHBondContact O-CB 3.36Å; A914-S918 PolarHBondContact O-N 3.17Å; T915-S918 WeakPolarHBondContact O-CB 3.49Å; T915-S918 PolarHBondContact O-N 3.1Å; Q916-S918 PolarHBondContact O-N 2.91Å; S918-D920 PolarHBondContact O-N 3.05Å; S918-R921 WeakPolarHBondContact O-CB 3.49Å; S918-R921 PolarHBondContact O-N 2.96Å; S918-K922 PolarHBondContact O-N 3.09Å
919L80.5Confident71.5Confident73 Ų73101.4 Ų101.438%0.38255%0.554SS.*Hα-helixtrans-60.5-42.6176-91.6170000112.4L911 T915 Q916 K922 K923L911-L919 HydrophobicContact CD1-CD1 3.75Å; T915-L919 PolarHBondContact O-N 3.12Å; Q916-L919 PolarHBondContact O-N 2.82Å; L919-K922 CarbonylContact O-C 3.6Å; L919-K922 WeakPolarHBondContact O-CB 3.34Å; L919-K922 PolarHBondContact O-N 2.83Å; L919-K922 VanDerWaalsContact O-N 3.16Å; L919-K923 WeakPolarHBondContact O-CG 3.5Å; L919-K923 PolarHBondContact O-N 3.34Å
920D78.4Confident71.6Confident50 Ų50101.9 Ų101.927%0.26755%0.549SS..Hα-helixtrans-68.7-36.3178.8-64.3-31.5000111.5Q916 S918 K923 Y924Q916-D920 VanDerWaalsContact NE2-CG 3.26Å; Q916-D920 PolarHBondContact NE2-OD1 2.93Å; Q916-D920 VanDerWaalsContact NE2-OD1 3.1Å; Q916-D920 PolarHBondContact NE2-OD2 3.35Å; Q916-D920 PolarHBondContact O-N 3.47Å; S918-D920 PolarHBondContact O-N 3.05Å; D920-K923 PolarHBondContact O-N 2.69Å; D920-K923 IonicContact OD1-NZ 2.94Å; D920-K923 PolarHBondContact OD1-NZ 2.92Å; D920-Y924 WeakPolarHBondContact O-CD2 3.39Å; D920-Y924 PolarHBondContact O-N 2.72Å
921R80.1Confident71.7Confident173 Ų173100 Ų10065%0.65354%0.54SS*.Hα-helixtrans-60.1-43.7167.5-79.5172.9172.9-117.8-9.8112.1K917 S918 K923 Y924 M925K917-R921 WeakPolarHBondContact O-CB 3.45Å; K917-R921 WeakPolarHBondContact O-CD 3.3Å; K917-R921 VanDerWaalsContact O-CG 3.25Å; K917-R921 WeakPolarHBondContact O-CG 3.45Å; K917-R921 PolarHBondContact O-N 2.77Å; S918-R921 WeakPolarHBondContact O-CB 3.49Å; S918-R921 PolarHBondContact O-N 2.96Å; R921-K923 VanDerWaalsContact C-N 3.33Å; R921-K923 PolarHBondContact O-N 3.34Å; R921-Y924 PolarHBondContact O-N 2.99Å; R921-M925 VanDerWaalsContact O-CG 3.25Å; R921-M925 WeakPolarHBondContact O-CG 3.26Å; R921-M925 PolarHBondContact O-N 3.02Å
922K82.4Confident71.2Confident140 Ų140102.6 Ų102.661%0.60955%0.552SS**Hα-helixtrans-64-36.2176.5-169.4171.8-177.51750112.1S918 L919 K926S918-K922 PolarHBondContact O-N 3.09Å; L919-K922 CarbonylContact O-C 3.6Å; L919-K922 WeakPolarHBondContact O-CB 3.34Å; L919-K922 PolarHBondContact O-N 2.83Å; L919-K922 VanDerWaalsContact O-N 3.16Å; K922-K926 WeakPolarHBondContact O-CB 3.35Å; K922-K926 PolarHBondContact O-N 2.89Å
923K79.5Confident70.2Confident118 Ų118104 Ų10451%0.51356%0.559SS.*Hα-helixtrans-65.4-46.7171.8-69.4171.7-165.2160.50111.9L919 D920 R921 M925 K926 A927L919-K923 WeakPolarHBondContact O-CG 3.5Å; L919-K923 PolarHBondContact O-N 3.34Å; D920-K923 PolarHBondContact O-N 2.69Å; D920-K923 IonicContact OD1-NZ 2.94Å; D920-K923 PolarHBondContact OD1-NZ 2.92Å; R921-K923 VanDerWaalsContact C-N 3.33Å; R921-K923 PolarHBondContact O-N 3.34Å; K923-M925 VanDerWaalsContact C-N 3.31Å; K923-M925 PolarHBondContact O-N 3.22Å; K923-K926 PolarHBondContact O-N 3.26Å; K923-A927 VanDerWaalsContact O-CB 3.28Å; K923-A927 WeakPolarHBondContact O-CB 3.3Å; K923-A927 PolarHBondContact O-N 2.73Å
924Y71.8Confident69.1Low180 Ų180105.8 Ų105.871%0.70656%0.556SS**Hα-helixtrans-62.7-37176.7-83.9-69.1000112.3D920 R921 A927 A928D920-Y924 WeakPolarHBondContact O-CD2 3.39Å; D920-Y924 PolarHBondContact O-N 2.72Å; R921-Y924 PolarHBondContact O-N 2.99Å; Y924-A927 PolarHBondContact O-N 3.47Å; Y924-A928 PolarHBondContact O-N 2.6Å; Y924-A928 VanDerWaalsContact O-N 3.14Å
925M71.6Confident68.6Low129 Ų129110.9 Ų110.964%0.63556%0.564SS**Hα-helixtrans-68.9-47.5174.3-62.1-82.669.100111.6R921 K923 A927 A928 E929R921-M925 VanDerWaalsContact O-CG 3.25Å; R921-M925 WeakPolarHBondContact O-CG 3.26Å; R921-M925 PolarHBondContact O-N 3.02Å; K923-M925 VanDerWaalsContact C-N 3.31Å; K923-M925 PolarHBondContact O-N 3.22Å; M925-A927 VanDerWaalsContact C-N 3.27Å; M925-A927 PolarHBondContact O-N 3.43Å; M925-A928 PolarHBondContact O-N 3.26Å; M925-A928 VanDerWaalsContact O-N 3.11Å; M925-E929 VanDerWaalsContact O-CB 3.27Å; M925-E929 WeakPolarHBondContact O-CB 3.3Å; M925-E929 PolarHBondContact O-N 3.07Å
926K72.9Confident67.6Low115 Ų115116.9 Ų116.950%0.558%0.584SS.*Hα-helixtrans-57.7-36.4172.1-85.7-119.7166.1-166.90113.1K922 K923 A928 E929 M930K922-K926 WeakPolarHBondContact O-CB 3.35Å; K922-K926 PolarHBondContact O-N 2.89Å; K923-K926 PolarHBondContact O-N 3.26Å; K926-A928 VanDerWaalsContact C-N 3.33Å; K926-E929 PolarHBondContact O-N 2.95Å; K926-M930 VanDerWaalsContact O-CB 3.29Å; K926-M930 WeakPolarHBondContact O-CB 3.15Å; K926-M930 WeakPolarHBondContact O-CG 3.41Å; K926-M930 PolarHBondContact O-N 2.92Å
927A68.8Low65.6Low43 Ų43122 Ų12236%0.35561%0.606SS.*Hα-helixtrans-70.4-28.9177.900000113K923 Y924 M925K923-A927 VanDerWaalsContact O-CB 3.28Å; K923-A927 WeakPolarHBondContact O-CB 3.3Å; K923-A927 PolarHBondContact O-N 2.73Å; Y924-A927 PolarHBondContact O-N 3.47Å; M925-A927 VanDerWaalsContact C-N 3.27Å; M925-A927 PolarHBondContact O-N 3.43Å
928A64.5Low63.6Low71 Ų71123.6 Ų123.659%0.58762%0.62SS**Hα-helixtrans-79.4-37.9171.200000112.2Y924 M925 K926 G931Y924-A928 PolarHBondContact O-N 2.6Å; Y924-A928 VanDerWaalsContact O-N 3.14Å; M925-A928 PolarHBondContact O-N 3.26Å; M925-A928 VanDerWaalsContact O-N 3.11Å; K926-A928 VanDerWaalsContact C-N 3.33Å; A928-G931 PolarHBondContact O-N 2.92Å
929E61.8Low61.5Low141 Ų141125.9 Ų125.966%0.65963%0.63SS**Hα-helixtrans-66.6-39.4178.4-176178.9-139.200112.3M925 K926 G931M925-E929 VanDerWaalsContact O-CB 3.27Å; M925-E929 WeakPolarHBondContact O-CB 3.3Å; M925-E929 PolarHBondContact O-N 3.07Å; K926-E929 PolarHBondContact O-N 2.95Å; E929-G931 PolarHBondContact O-N 3.27Å
930M57.8Low59.4Low132 Ų132130.7 Ų130.765%0.6565%0.648SS**THydrogen-bonded Turntrans-79.713.2178.9-63.8-69.1-61.500114K926 M932K926-M930 VanDerWaalsContact O-CB 3.29Å; K926-M930 WeakPolarHBondContact O-CB 3.15Å; K926-M930 WeakPolarHBondContact O-CG 3.41Å; K926-M930 PolarHBondContact O-N 2.92Å; M930-M932 PolarHBondContact O-N 3.34Å
931G57.4Low57.3Low61 Ų61137.3 Ų137.363%0.62968%0.678SS**THydrogen-bonded Turntrans65.72.8167.500000117.9A928 E929 P933A928-G931 PolarHBondContact O-N 2.92Å; E929-G931 PolarHBondContact O-N 3.27Å; G931-P933 WeakPolarHBondContact O-CD 3.02Å
932M50.3Low54.8Low134 Ų134135.1 Ų135.166%0.6668%0.679SS**  trans-68.3121.1-172.3-68.5-61.3-72.300112.1M930 N934M930-M932 PolarHBondContact O-N 3.34Å; M932-N934 PolarHBondContact O-N 3.05Å
933P46.4Very low52.6Low109 Ų109134.4 Ų134.471%0.70869%0.688SS**  trans-76.383.8-171.530.5-36000112.3G931 K935G931-P933 WeakPolarHBondContact O-CD 3.02Å; P933-K935 VanDerWaalsContact C-N 3.27Å; P933-K935 PolarHBondContact O-N 3.46Å
934N43.2Very low50.3Low125 Ų125134.6 Ų134.667%0.66871%0.705SS**  trans-65.481.9170.5-89.4-72.9000111.3M932 K936M932-N934 PolarHBondContact O-N 3.05Å; N934-K936 PolarHBondContact O-N 2.91Å
935K54.7Low48.5Very low185 Ų185135.2 Ų135.280%0.80471%0.714SS**THydrogen-bonded Turntrans-61.1124.2172.9-72.5-178.3177.6175.90109.8P933P933-K935 VanDerWaalsContact C-N 3.27Å; P933-K935 PolarHBondContact O-N 3.46Å
936K55.9Low46.8Very low192 Ų192135.3 Ų135.384%0.83572%0.722SS**THydrogen-bonded Turntrans79.853.7167.1-46.5177.3-172.8179.20118.4N934N934-K936 PolarHBondContact O-N 2.91Å
937F37.9Very low45.1Very low182 Ų182140.9 Ų140.980%0.79874%0.74SS**  trans-124.785.9148.8-78.8-68.9000111.8V939F937-V939 PolarHBondContact O-N 3.29Å
938L39.8Very low43.3Very low169 Ų169145.6 Ų145.689%0.88576%0.764SS**  trans-80.567.2177.9-158.2144.3000110.5K940L938-K940 PolarHBondContact O-N 2.78Å
939V35.9Very low42Very low121 Ų121150.1 Ų150.173%0.73378%0.778SS**  trans-78.6109.7170.4177.90000107.9F937 Q941F937-V939 PolarHBondContact O-N 3.29Å; V939-Q941 PolarHBondContact O-N 2.84Å
940K35.2Very low40.7Very low174 Ų174152.2 Ų152.276%0.75779%0.787SS**  trans-51114.6172.8-90.1-171.3172-175.60110.3L938L938-K940 PolarHBondContact O-N 2.78Å
941Q34.5Very low39.8Very low189 Ų189151.1 Ų151.188%0.88379%0.79SS**PPolyproline II helixtrans-74.4124.7154-67.8-171.15.900107.9V939V939-Q941 PolarHBondContact O-N 2.84Å
942N28.9Very low38.6Very low127 Ų127155.5 Ų155.568%0.67980%0.799SS**PPolyproline II helixtrans-103.7131.3155.7-66.4-17.7000106.2
943P36.3Very low38Very low125 Ų125158.7 Ų158.781%0.81281%0.813SS**PPolyproline II helixtrans-67.9143.9177.628.7-34.4000111
944S30.2Very low37.3Very low123 Ų123157 Ų15786%0.8682%0.816SS**  trans-88.9108.7178.7-59.60000110.7
945E34.3Very low37.1Very low192 Ų192159.9 Ų159.990%0.89783%0.825SS**  trans-71.8153.5172.3-71.4-169.7124.900112.9
946T36.3Very low36.1Very low132 Ų132159.1 Ų159.181%0.8183%0.83SS**  trans-91.3128.4-175.145.60000113.8
947R37.2Very low35Very low231 Ų231154 Ų15487%0.87282%0.823SS**  trans50.2108.4140.2-175.3-151.7-68.7-165.3-2.2118.4
948V31.7Very low34.9Very low143 Ų143151.9 Ų151.987%0.86783%0.827SS**  -140.5146.2127.5178.10000109.3
949L35.2Very low34.6Very low166 Ų166150.3 Ų150.387%0.86983%0.825SS**  trans-114.9128.1168.4-91.3167000109
950Q35.3Very low34.4Very low184 Ų184152.2 Ų152.286%0.8683%0.825SS**  trans-164.4171.4154.6-117.4-176.131.100111.1
951P39.4Very low34.2Very low110 Ų110155.5 Ų155.571%0.71483%0.833SS**  -118.1-163-10642.9-31.2000115.4
952N32.2Very low34.2Very low153 Ų153152.7 Ų152.782%0.81882%0.823SS**  trans-63174.8-166.6-53.3-76.3000116.6
953Q36.6Very low34.4Very low200 Ų200154.3 Ų154.394%0.93583%0.831SS**  trans98.3138.4172.2-57.4175.5-1.800114.5
954G32.7Very low34.2Very low75 Ų75154.5 Ų154.577%0.77384%0.835SS**  cis162.414.2-4.400000118.1
955Q38.7Very low34.4Very low184 Ų184160.3 Ų160.386%0.8684%0.838SS**  trans-147.2135.7-178.6-83.5165.5-500110.5
956N32.9Very low34.3Very low170 Ų170160.2 Ų160.291%0.90984%0.838SS**  trans168.970.2150.9-91.2-37.7000110.1
957A32.8Very low34Very low84 Ų84157.1 Ų157.169%0.69483%0.832SS**  trans-89136.8159.300000108.3V959A957-V959 PolarHBondContact O-N 2.8Å
958P36.2Very low33.7Very low137 Ų137153 Ų15389%0.8983%0.833SS**  trans-68.7114.6179-18.332000111.1
959V33.1Very low34.3Very low136 Ų136151.3 Ų151.382%0.82483%0.825SS**  trans-86.9129.6176.4177.50000110A957A957-V959 PolarHBondContact O-N 2.8Å
960H32.9Very low34.1Very low161 Ų161153 Ų15375%0.74583%0.825SS**  trans-66.2129.4177.6-161.5-99.9000110.7
961R31.1Very low34.3Very low243 Ų243150.1 Ų150.192%0.91782%0.82SS**  trans-118.5110.1-171.7-165.9-178.4-160.9161.45.3110.8
962L33.2Very low33.9Very low130 Ų130150.5 Ų150.568%0.68183%0.826SS**  trans-126.5127.7172.9-80.8171.9000111.5
963L33.6Very low34Very low161 Ų161149.5 Ų149.584%0.84383%0.825SS**  trans45.392.1144.8-54.6176.5000118.2
964S32.5Very low34Very low129 Ų129149.6 Ų149.690%0.90282%0.822SS**PPolyproline II helixtrans-70.9130154.7-58.80000110.3
965R35.3Very low34Very low245 Ų245149 Ų14993%0.92582%0.816SS**PPolyproline II helixtrans-72.9154.7168.8-142.5173.5-170.4-903.4110
966Q31.2Very low33.5Very low191 Ų191147.2 Ų147.289%0.89382%0.817SS**PPolyproline II helixtrans-68.7172.6176.5-84.1-149.218.900113.5
967G30.3Very low33.4Very low67 Ų67144.6 Ų144.669%0.69181%0.808SS**  trans-63.3-170.1-176.800000115.6
968T30.7Very low33.5Very low143 Ų143148.4 Ų148.488%0.87781%0.811SS**  cis-146.2173.944.334.70000114.2
969P45.5Very low33.2Very low109 Ų109147.7 Ų147.771%0.70880%0.8SS**  trans-107.8-168.7-158.342.6-37.3000115.9
970K30.6Very low33.1Very low200 Ų200151.5 Ų151.587%0.8780%0.799SS**  trans102.3144.2177.3-61.7169.6-177.6177.70112.9
971T38.1Very low32.9Very low124 Ų124152.4 Ų152.476%0.76180%0.804SS**  cis-132.9159.2-0.838.80000112.1
972S30.9Very low33.1Very low118 Ų118149.9 Ų149.983%0.82580%0.799SS**  trans-93.1148.5164.9176.80000111.2
973V34.7Very low33.5Very low132 Ų132149.4 Ų149.480%0.880%0.804SS**  trans-132.4119.4174.2177.40000110.4
974K36.5Very low33.3Very low202 Ų202146.4 Ų146.488%0.87880%0.797SS**  trans-85.2155.4157-84.6176.5172.4175.90108.1
975G33.2Very low33.3Very low63 Ų63148.2 Ų148.265%0.64979%0.791SS**  cis172.6-129.7700000108.4
976V28.7Very low33Very low146 Ų146141.4 Ų141.489%0.88578%0.781SS**  trans77.8141171.5-173.90000115.3
977V30.2Very low32.9Very low116 Ų116142.1 Ų142.170%0.70378%0.776SS**  cis-169.2164.3-44.5118.40000110.5
978Q35.2Very low33Very low164 Ų164145.2 Ų145.277%0.76678%0.781SS**  trans86.7120156.1-101.917476.500124.1
979N30.3Very low34.1Very low122 Ų122142.8 Ų142.865%0.65277%0.767SS**  79.4135.5126.1-105.8-31.5000125.8
980R29.7Very low33.3Very low215 Ų215144.4 Ų144.481%0.81177%0.77SS**  trans28.2134.6144.4-78.6172167.7-172.9-3.8119.6
981Q29.8Very low33.5Very low180 Ų180145.6 Ų145.684%0.84177%0.769SS**  -165.7179.651.8-129.7158.93.100113.4
982K35.4Very low33.5Very low190 Ų190145.6 Ų145.683%0.82677%0.768SS**  trans-116.8167.2170.4-64.3-171.2-179.4-177.40110.2
983P42Very low34.3Very low120 Ų120145.3 Ų145.378%0.77976%0.764SS**  -102.3-159.561.338.4-40.7000113.7
984S28.9Very low34.3Very low98 Ų98145.7 Ų145.769%0.68577%0.766SS**  cis-142.6-177.95.3-54.60000109.5
985Q31.6Very low34Very low167 Ų167141.4 Ų141.478%0.7876%0.762SS**  cis78.514910.2-62-125.291.100116.2
986S29.8Very low33.9Very low103 Ų103141.4 Ų141.472%0.7276%0.761SS**  cis-169159.2-3.4143.10000110.1
987R30Very low34Very low206 Ų206140.6 Ų140.678%0.77776%0.757SS**  cis178.4102.8-19179.1-177.4174.5-168.9-1.9112.9
988V31.3Very low33.9Very low132 Ų132145.5 Ų145.580%0.876%0.764SS**  trans68.8174145.2104.70000118.4
989P53Low33.8Very low92 Ų92142.3 Ų142.360%0.59777%0.765SS**  cis-138.8-157.3-24.543.6-24.5000115.9
990N29.9Very low33.8Very low142 Ų142139.6 Ų139.676%0.75977%0.767SS**  trans93.1135.9159.5-69.3-29.7000118.4
991R33.7Very low33.9Very low226 Ų226138.7 Ų138.785%0.85377%0.769SS**  cis-143.4135.28.2-119.9174-170.5176.62.3112.6
992V39Very low33.9Very low123 Ų123136.6 Ų136.675%0.74576%0.762SS**  trans9.9136.6133.9178.90000116.9
993P48.2Very low33.7Very low113 Ų113135.1 Ų135.173%0.73476%0.758SS**  cis-112.1-149.934.46.619.6000114.8
994V33.1Very low33.2Very low139 Ų139139.3 Ų139.384%0.84276%0.758SS**  cis-152.1179.115.3-141.40000112.8
995S31Very low33.3Very low113 Ų113143.7 Ų143.779%0.7977%0.765SS**  trans-79.3157.2172.3-171.30000113.3
996G30.3Very low33.5Very low62 Ų62146.6 Ų146.664%0.63977%0.769SS**  cis160.3151.3-11.300000116.3
997V31.5Very low34.5Very low130 Ų130146.8 Ų146.879%0.78877%0.768SS**  trans80.8102.9140.1-179.40000122
998Y28.3Very low34.4Very low219 Ų219143.4 Ų143.486%0.85977%0.765SS**  trans73.4137.3135.2-88.1-114.3000125.7
999A33.4Very low34.5Very low96 Ų96143.1 Ų143.179%0.79376%0.763SS**  trans60.8161.5146.400000120.2
1000G28.8Very low33.6Very low66 Ų66142.9 Ų142.968%0.6877%0.769SS**  cis134.1137.4-12.800000115
1001K32.5Very low33.8Very low195 Ų195142.4 Ų142.485%0.84877%0.771SS**  trans72.6121.8167.9-63.9-179.5177.5176.20116.2
1002I31Very low34.1Very low136 Ų136142.8 Ų142.870%0.69779%0.788SS**  89.4129.291.4-71.6169.4000114.6
1003Q30.4Very low33.9Very low160 Ų160143.8 Ų143.875%0.74879%0.79SS**  trans22.8140.3153.6-55.1170.53.400119.7
1004R31.6Very low33.1Very low207 Ų207145.4 Ų145.478%0.78179%0.793SS**  -175.3147.683.7-95.4172.3178.8177.8-0.6115.3
1005K31.7Very low33.2Very low190 Ų190145.8 Ų145.883%0.82679%0.79SS**  trans62.4134.1142.4-67-175.3175.2-171.80122.8
1006R35.6Very low33.3Very low228 Ų228147.7 Ų147.786%0.8679%0.79SS**  trans-39.3166.2145.4-71-175.6-178.5-171.91113.8
1007P49.8Very low33.5Very low108 Ų108153.1 Ų153.170%0.70180%0.8SS**  cis-153.4173.536.845.2-24.7000120.8
1008N29Very low33.6Very low134 Ų134154.6 Ų154.672%0.71780%0.8SS**  trans42.9164.5137.2-58.36.7000124
1009V32.4Very low34Very low127 Ų127150 Ų15077%0.7780%0.796SS**  trans73.5110.4167.2-161.70000112.4
1010A34.7Very low34Very low86 Ų86154.2 Ų154.271%0.71180%0.796SS**  cis80.3150.944.300000113.8
1011T34.8Very low34.4Very low132 Ų132161.5 Ų161.581%0.8181%0.806SS**  trans60.1146.2-164.123.90000114.2
1012I40Very low34.6Very low235 Ų235158.5 Ų158.5100%1.20580%0.802SS**  cis-112.302.5-59.3174.6000109.5

Retrieved 1,012 of 1,012 residues in 125.7 ms (Link to these results)