A0A077ZCR9_TRITR Loading...

Splicing factor 3B subunit 2

AlphaFold DB , UniProt , Accession A0A077ZCR9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 592 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
1M51.2Low78.3Confident247 Ų247144.3 Ų144.3100%1.21766%0.661SS**  0113.70-75.4-173.5171.400109.1
2Q65.5Low78.9Confident141 Ų141146.1 Ų146.166%0.65967%0.666SS**  trans-71.6140.1177.6-74175.4-9.300111
3S78.1Confident79.6Confident55 Ų55146.1 Ų146.139%0.38566%0.664SS.*  trans-64.6152.2-177.983.50000111.6A5 D6 R7S3-A5 PolarHBondContact O-N 3Å; S3-A5 VanDerWaalsContact O-N 3.13Å; S3-A5 PolarHBondContact OG-N 2.91Å; S3-D6 WeakPolarHBondContact CB-OD2 3.49Å; S3-D6 PolarHBondContact O-N 3.5Å; S3-D6 VanDerWaalsContact OG-CG 3.25Å; S3-D6 PolarHBondContact OG-N 2.93Å; S3-D6 PolarHBondContact OG-OD2 2.92Å; S3-R7 PolarHBondContact O-N 3.34Å
4R79.6Confident80.2Confident234 Ų234148.4 Ų148.488%0.88366%0.664SS**Hα-helixtrans-57.7-27.1175.8-131.9176.8177.6-173.6-0112.1K8R4-K8 PolarHBondContact O-N 3.31Å
5A80.5Confident80.7Confident67 Ų67148 Ų14855%0.55466%0.657SS**Hα-helixtrans-72.5-41.1176.400000112.1S3 K8 R9S3-A5 PolarHBondContact O-N 3Å; S3-A5 VanDerWaalsContact O-N 3.13Å; S3-A5 PolarHBondContact OG-N 2.91Å; A5-K8 PolarHBondContact O-N 3.37Å; A5-R9 PolarHBondContact O-N 3.5Å
6D83Confident81.1Confident80 Ų80149.2 Ų149.243%0.42866%0.662SS.*Hα-helixtrans-65.9-43.4178.3-64.3-46.5000111.5S3 K8 R9 E10S3-D6 WeakPolarHBondContact CB-OD2 3.49Å; S3-D6 PolarHBondContact O-N 3.5Å; S3-D6 VanDerWaalsContact OG-CG 3.25Å; S3-D6 PolarHBondContact OG-N 2.93Å; S3-D6 PolarHBondContact OG-OD2 2.92Å; D6-K8 VanDerWaalsContact C-N 3.31Å; D6-K8 PolarHBondContact O-N 2.98Å; D6-R9 PolarHBondContact O-N 3.48Å; D6-R9 VanDerWaalsContact O-N 3.12Å; D6-E10 WeakPolarHBondContact O-CB 3.46Å; D6-E10 PolarHBondContact O-N 3.37Å
7R83.6Confident81.5Confident175 Ų175148.7 Ų148.766%0.6666%0.659SS**Hα-helixtrans-58.5-38.9172.8-101.6179.6154.7-166.9-5.1112.9S3 K11S3-R7 PolarHBondContact O-N 3.34Å; R7-K11 WeakPolarHBondContact O-CB 3.44Å; R7-K11 WeakPolarHBondContact O-CG 3.33Å; R7-K11 PolarHBondContact O-N 3.36Å; R7-K11 VanDerWaalsContact O-N 3.08Å
8K83.3Confident81.9Confident166 Ų166149 Ų14972%0.72265%0.654SS**Hα-helixtrans-68.3-40.6174.7-92.3-174.5175.7179.60111.8R4 A5 D6 K12R4-K8 PolarHBondContact O-N 3.31Å; A5-K8 PolarHBondContact O-N 3.37Å; D6-K8 VanDerWaalsContact C-N 3.31Å; D6-K8 PolarHBondContact O-N 2.98Å; K8-K12 WeakPolarHBondContact O-CB 3.4Å; K8-K12 PolarHBondContact O-N 2.91Å
9R85.2Confident82.2Confident175 Ų175148.3 Ų148.366%0.6665%0.647SS**Hα-helixtrans-67.1-39.5179.6-159.6175.9-175.8-170.91.3111.4A5 D6 K12 K13A5-R9 PolarHBondContact O-N 3.5Å; D6-R9 PolarHBondContact O-N 3.48Å; D6-R9 VanDerWaalsContact O-N 3.12Å; R9-K12 PolarHBondContact O-N 3.44Å; R9-K13 PolarHBondContact O-N 2.9Å
10E85.9Confident82.5Confident88 Ų88151.1 Ų151.141%0.41165%0.653SS.*Hα-helixtrans-68.4-44176.5-159.6-175.2169.100112.2D6 K12 K13 R14D6-E10 WeakPolarHBondContact O-CB 3.46Å; D6-E10 PolarHBondContact O-N 3.37Å; E10-K12 VanDerWaalsContact C-N 3.29Å; E10-K12 PolarHBondContact O-N 3.48Å; E10-K13 PolarHBondContact O-N 3.37Å; E10-R14 PolarHBondContact O-N 2.96Å
11K85.5Confident82.7Confident159 Ų159148.6 Ų148.669%0.69164%0.644SS**Hα-helixtrans-57.4-41.3171.5-79.9-173.7176.4-171.90112R7 R14 Y15R7-K11 WeakPolarHBondContact O-CB 3.44Å; R7-K11 WeakPolarHBondContact O-CG 3.33Å; R7-K11 PolarHBondContact O-N 3.36Å; R7-K11 VanDerWaalsContact O-N 3.08Å; K11-R14 PolarHBondContact O-N 2.87Å; K11-Y15 WeakPolarHBondContact O-CB 3.5Å; K11-Y15 PolarHBondContact O-N 2.92Å
12K85.9Confident84.2Confident166 Ų166142.4 Ų142.472%0.72261%0.612SS**Hα-helixtrans-68.7-36.5178.3-147.8173.9-172.11780112.2K8 R9 E10 K16K8-K12 WeakPolarHBondContact O-CB 3.4Å; K8-K12 PolarHBondContact O-N 2.91Å; R9-K12 PolarHBondContact O-N 3.44Å; E10-K12 VanDerWaalsContact C-N 3.29Å; E10-K12 PolarHBondContact O-N 3.48Å; K12-K16 WeakPolarHBondContact O-CB 3.43Å; K12-K16 PolarHBondContact O-N 3.37Å; K12-K16 VanDerWaalsContact O-N 3.14Å
13K87.4Confident85Confident146 Ų146144.1 Ų144.164%0.63561%0.612SS**Hα-helixtrans-65.3-47.1172.5-79.7-175.7176.5-177.80111.7R9 E10 Y15 K16 K17R9-K13 PolarHBondContact O-N 2.9Å; E10-K13 PolarHBondContact O-N 3.37Å; K13-Y15 PolarHBondContact O-N 3.37Å; K13-K16 PolarHBondContact O-N 2.92Å; K13-K17 PolarHBondContact O-N 2.73Å
14R88.2Confident85.3Confident179 Ų179144.6 Ų144.668%0.67562%0.616SS**Hα-helixtrans-60-43.6176.4-77-172.5179.8-157.70.4112.3E10 K11 K16 K17 R18E10-R14 PolarHBondContact O-N 2.96Å; K11-R14 PolarHBondContact O-N 2.87Å; R14-K16 PolarHBondContact O-N 3.42Å; R14-K17 PolarHBondContact O-N 2.98Å; R14-R18 PolarHBondContact O-N 2.9Å
15Y87.3Confident85.3Confident142 Ų142136.2 Ų136.256%0.55760%0.597SS**Hα-helixtrans-61.5-40.8175.8-178.9-99.6000112.6K11 K13 R19K11-Y15 WeakPolarHBondContact O-CB 3.5Å; K11-Y15 PolarHBondContact O-N 2.92Å; K13-Y15 PolarHBondContact O-N 3.37Å; Y15-R19 WeakPolarHBondContact O-CB 3.44Å; Y15-R19 PolarHBondContact O-N 3.12Å; Y15-R19 VanDerWaalsContact O-N 3.13Å
16K87.2Confident85.2Confident167 Ų167142.6 Ų142.673%0.72661%0.607SS**Hα-helixtrans-69-34.4178.7-143.6177.9-173.4-174.90112.4K12 K13 R14 R20K12-K16 WeakPolarHBondContact O-CB 3.43Å; K12-K16 PolarHBondContact O-N 3.37Å; K12-K16 VanDerWaalsContact O-N 3.14Å; K13-K16 PolarHBondContact O-N 2.92Å; R14-K16 PolarHBondContact O-N 3.42Å; K16-R20 PolarHBondContact O-N 3.21Å
17K88.8Confident84.8Confident141 Ų141147.5 Ų147.561%0.61362%0.619SS**Hα-helixtrans-65.8-51.7173.9-171.5179.1176.3-173.60111.1K13 R14 R19 R20 E21K13-K17 PolarHBondContact O-N 2.73Å; R14-K17 PolarHBondContact O-N 2.98Å; K17-R19 VanDerWaalsContact C-N 3.3Å; K17-R19 PolarHBondContact O-N 3.43Å; K17-R20 WeakPolarHBondContact O-CB 3.36Å; K17-R20 PolarHBondContact O-N 3.45Å; K17-E21 WeakPolarHBondContact CE-OE1 3.43Å; K17-E21 PolarHBondContact O-N 3.07Å
18R88.9Confident84.3Confident154 Ų154144.1 Ų144.158%0.58161%0.614SS**Hα-helixtrans-58.2-38.2178.9-161.317881.2-175.57.4113.1R14 R20 Q22R14-R18 PolarHBondContact O-N 2.9Å; R18-R20 VanDerWaalsContact C-N 3.33Å; R18-R20 PolarHBondContact O-N 2.92Å; R18-Q22 PolarHBondContact O-N 3.23Å
19R87.6Confident83.7Confident135 Ų135138.6 Ų138.651%0.50960%0.599SS.*Hα-helixtrans-70.3-27.3176.7-172.4177.3163.4-173.1-3.4113.1Y15 K17 R23Y15-R19 WeakPolarHBondContact O-CB 3.44Å; Y15-R19 PolarHBondContact O-N 3.12Å; Y15-R19 VanDerWaalsContact O-N 3.13Å; K17-R19 VanDerWaalsContact C-N 3.3Å; K17-R19 PolarHBondContact O-N 3.43Å; R19-R23 PolarHBondContact O-N 2.98Å
20R86.9Confident82.6Confident205 Ų205136 Ų13677%0.77460%0.598SS**Hα-helixtrans-76.8-41.4176.6-150.4177.7-174.9-1790.3110.4K16 K17 R18 R23 S24K16-R20 PolarHBondContact O-N 3.21Å; K17-R20 WeakPolarHBondContact O-CB 3.36Å; K17-R20 PolarHBondContact O-N 3.45Å; R18-R20 VanDerWaalsContact C-N 3.33Å; R18-R20 PolarHBondContact O-N 2.92Å; R20-R23 PolarHBondContact O-N 3.25Å; R20-S24 PolarHBondContact O-N 3.07Å
21E87Confident81.3Confident98 Ų98136 Ų13646%0.45860%0.601SS.*Hα-helixtrans-63.1-43.7173.1-72.4162.9179.900112.1K17 R23 S24 A25K17-E21 WeakPolarHBondContact CE-OE1 3.43Å; K17-E21 PolarHBondContact O-N 3.07Å; E21-R23 VanDerWaalsContact C-N 3.27Å; E21-R23 PolarHBondContact O-N 3.44Å; E21-S24 PolarHBondContact O-N 2.86Å; E21-S24 PolarHBondContact O-OG 3.18Å; E21-A25 WeakPolarHBondContact O-CB 3.48Å; E21-A25 PolarHBondContact O-N 3.47Å
22Q83.7Confident80Confident118 Ų118134 Ų13455%0.55160%0.598SS**Hα-helixtrans-62.8-32.3173.7-84.1-177-1100113.3R18 R26R18-Q22 PolarHBondContact O-N 3.23Å; Q22-R26 WeakPolarHBondContact O-CB 3.39Å; Q22-R26 WeakPolarHBondContact O-CG 3.5Å; Q22-R26 PolarHBondContact O-N 2.89Å
23R82Confident78.6Confident176 Ų176132 Ų13266%0.66459%0.594SS**Hα-helixtrans-75.2-35.3176.4-93.5-176.8157.3-163.7-7.6112.7R19 R20 E21 R27R19-R23 PolarHBondContact O-N 2.98Å; R20-R23 PolarHBondContact O-N 3.25Å; E21-R23 VanDerWaalsContact C-N 3.27Å; E21-R23 PolarHBondContact O-N 3.44Å; R23-R27 WeakPolarHBondContact O-CB 3.49Å; R23-R27 PolarHBondContact O-N 2.94Å; R23-R27 VanDerWaalsContact O-N 3.13Å
24S83.1Confident77Confident65 Ų65128.1 Ų128.146%0.45559%0.586SS.*Hα-helixtrans-72.2-41.1173.861.90000111.2R20 E21 R26 R27 N28R20-S24 PolarHBondContact O-N 3.07Å; E21-S24 PolarHBondContact O-N 2.86Å; E21-S24 PolarHBondContact O-OG 3.18Å; S24-R26 PolarHBondContact O-N 3.27Å; S24-R27 PolarHBondContact O-N 2.98Å; S24-R27 VanDerWaalsContact O-N 3.12Å; S24-N28 PolarHBondContact O-N 2.86Å
25A81.3Confident75Confident59 Ų59125.5 Ų125.549%0.48859%0.585SS.*Hα-helixtrans-60.8-43.8174.900000112.1E21 R27 N28 A29E21-A25 WeakPolarHBondContact O-CB 3.48Å; E21-A25 PolarHBondContact O-N 3.47Å; A25-R27 VanDerWaalsContact C-N 3.31Å; A25-R27 PolarHBondContact O-N 3.48Å; A25-N28 PolarHBondContact O-N 3.41Å; A25-A29 WeakPolarHBondContact O-CB 3.36Å; A25-A29 PolarHBondContact O-N 2.89Å
26R77.5Confident73.2Confident201 Ų201125.5 Ų125.576%0.75860%0.595SS**Hα-helixtrans-65.9-29.2173.5-82.3-174.9163.7-161.1-4.2114Q22 S24 N30Q22-R26 WeakPolarHBondContact O-CB 3.39Å; Q22-R26 WeakPolarHBondContact O-CG 3.5Å; Q22-R26 PolarHBondContact O-N 2.89Å; S24-R26 PolarHBondContact O-N 3.27Å; R26-N30 WeakPolarHBondContact O-CB 3.42Å; R26-N30 PolarHBondContact O-N 3.34Å
27R74.4Confident71.1Confident183 Ų183126.4 Ų126.469%0.69160%0.599SS**Hα-helixtrans-75.8-40.6177.6-178.2176.9158.6176.3-6.5111.1R23 S24 A25 N30 L31R23-R27 WeakPolarHBondContact O-CB 3.49Å; R23-R27 PolarHBondContact O-N 2.94Å; R23-R27 VanDerWaalsContact O-N 3.13Å; S24-R27 PolarHBondContact O-N 2.98Å; S24-R27 VanDerWaalsContact O-N 3.12Å; A25-R27 VanDerWaalsContact C-N 3.31Å; A25-R27 PolarHBondContact O-N 3.48Å; R27-N30 PolarHBondContact O-N 2.85Å; R27-L31 HydrophobicContact CG-CD1 4.25Å; R27-L31 WeakPolarHBondContact O-CD1 3.49Å; R27-L31 PolarHBondContact O-N 3.45Å
28N72.8Confident68.7Low103 Ų103129.2 Ų129.255%0.55161%0.611SS**Hα-helixtrans-69.6-40.1175.1-74.815.5000111.6S24 A25 N30 L31 D32S24-N28 PolarHBondContact O-N 2.86Å; A25-N28 PolarHBondContact O-N 3.41Å; N28-N30 VanDerWaalsContact C-N 3.28Å; N28-N30 PolarHBondContact O-N 2.96Å; N28-L31 PolarHBondContact O-N 3.34Å; N28-D32 PolarHBondContact O-N 3.33Å; N28-D32 VanDerWaalsContact O-N 3.1Å
29A70.5Confident66.3Low50 Ų50125.6 Ų125.641%0.41361%0.614SS.*Hα-helixtrans-63.8-30.4175.300000113.5A25 L33A25-A29 WeakPolarHBondContact O-CB 3.36Å; A25-A29 PolarHBondContact O-N 2.89Å; A29-L33 WeakPolarHBondContact O-CD1 3.29Å; A29-L33 WeakPolarHBondContact O-CG 3.18Å; A29-L33 PolarHBondContact O-N 2.93Å
30N62.1Low63.9Low120 Ų120127.1 Ų127.164%0.64263%0.63SS**Hα-helixtrans-81.5-12.3174.1-94.49.9000113.8R26 R27 N28 S34R26-N30 WeakPolarHBondContact O-CB 3.42Å; R26-N30 PolarHBondContact O-N 3.34Å; R27-N30 PolarHBondContact O-N 2.85Å; N28-N30 VanDerWaalsContact C-N 3.28Å; N28-N30 PolarHBondContact O-N 2.96Å; N30-S34 PolarHBondContact O-OG 3.32Å
31L59.9Low61.5Low89 Ų89125.7 Ų125.747%0.46663%0.632SS.*Hα-helixtrans-86.8-39.6173.7-82.2155.4000110.3R27 N28 L33 S34R27-L31 HydrophobicContact CG-CD1 4.25Å; R27-L31 WeakPolarHBondContact O-CD1 3.49Å; R27-L31 PolarHBondContact O-N 3.45Å; N28-L31 PolarHBondContact O-N 3.34Å; L31-L33 VanDerWaalsContact C-N 3.34Å; L31-L33 PolarHBondContact O-N 3.49Å; L31-S34 PolarHBondContact O-N 2.84Å; L31-S34 PolarHBondContact O-OG 2.9Å
32D57.3Low59.2Low118 Ų118129 Ų12963%0.63165%0.653SS**Hα-helixtrans-66.2-32.8174-79.2-17.6000112.7N28 S34N28-D32 PolarHBondContact O-N 3.33Å; N28-D32 VanDerWaalsContact O-N 3.1Å; D32-S34 VanDerWaalsContact C-N 3.26Å; D32-S34 PolarHBondContact O-N 2.95Å
33L56.9Low57Low122 Ų122126.6 Ų126.664%0.63966%0.66SS**Hα-helixtrans-76.7-8.2177.7-76.1164.5000114.3A29 L31A29-L33 WeakPolarHBondContact O-CD1 3.29Å; A29-L33 WeakPolarHBondContact O-CG 3.18Å; A29-L33 PolarHBondContact O-N 2.93Å; L31-L33 VanDerWaalsContact C-N 3.34Å; L31-L33 PolarHBondContact O-N 3.49Å
34S52.9Low54.9Low65 Ų65124.8 Ų124.846%0.45567%0.671SS.*Hα-helixtrans-97.1-13.8178.1420000114.3N30 L31 D32N30-S34 PolarHBondContact O-OG 3.32Å; L31-S34 PolarHBondContact O-N 2.84Å; L31-S34 PolarHBondContact O-OG 2.9Å; D32-S34 VanDerWaalsContact C-N 3.26Å; D32-S34 PolarHBondContact O-N 2.95Å
35D47.6Very low52.7Low124 Ų124126.4 Ų126.466%0.66369%0.689SS**Hα-helixtrans-93.3-18.9178.1-75.4-32000113.1K37D35-K37 PolarHBondContact O-N 3.48Å
36D48.1Very low50.8Low142 Ų142129.1 Ų129.176%0.75970%0.704SS**THydrogen-bonded Turntrans-89.713.1179.6-79.7-24.8000115.4
37K44.4Very low48.8Very low187 Ų187125.9 Ų125.981%0.81370%0.701SS**THydrogen-bonded Turntrans-115.821.5177.1-74.2-169.2175.2-171.30114.6D35D35-K37 PolarHBondContact O-N 3.48Å
38K38.8Very low47.1Very low200 Ų200125.1 Ų125.187%0.8771%0.711SS**SBendtrans-113.116.1175.8-81.7-170.6174-175.60114.7
39A37.7Very low45.4Very low77 Ų77124.4 Ų124.464%0.63671%0.714SS**SBendtrans-121.5134.8167.800000108
40I36.7Very low43.9Very low168 Ų168129.9 Ų129.986%0.86274%0.736SS**SBendtrans98.281.2179.9-47.8154.7000113.8
41E36.3Very low43Very low175 Ų175132.1 Ų132.182%0.81875%0.748SS**  164.8110.6129.2-96.3179.7167.300107.8
42D40.4Very low42.2Very low167 Ų167136.1 Ų136.189%0.89376%0.764SS**  -176.3121.7128.9-91.2-25.1000111.1
43G36.8Very low41.6Very low67 Ų67138.3 Ų138.369%0.69178%0.776SS**PPolyproline II helixtrans-81.9172.7164.500000111.4
44P37.6Very low41.3Very low138 Ų138139.3 Ų139.390%0.89678%0.78SS**PPolyproline II helixtrans-83.8143.1-15032.6-34.2000114.1
45A37.1Very low41.2Very low100 Ų100145.3 Ų145.383%0.82680%0.801SS**PPolyproline II helixtrans-100.6139.3167.900000110.8
46S40.7Very low41.8Very low115 Ų115144.9 Ų144.980%0.80480%0.803SS**  trans-90.5114.9155.852.50000107.4
47D35.1Very low42.3Very low133 Ų133146.2 Ų146.271%0.71180%0.804SS**  94.297.386.6-162.425000110.8
48D40.2Very low42.8Very low167 Ų167147.3 Ų147.389%0.89381%0.805SS**  trans-177.496.4139.6-100.6-24.2000108.5
49S37.1Very low43.9Very low89 Ų89144.6 Ų144.662%0.62280%0.798SS**  trans-112.3121.4-173.8520000110.9
50L38Very low45.2Very low164 Ų164146.9 Ų146.986%0.85980%0.804SS**  trans-159.797151.7-77.5-174.5000108.6
51D42.5Very low46.8Very low167 Ų167147.6 Ų147.689%0.89380%0.804SS**  trans176.678150.7-84.9-24.1000106.8
52E43.7Very low48.3Very low174 Ų174148.1 Ų148.181%0.81381%0.807SS**  trans-86.2114.7176.4-71.2-178.6164.400110.2I54E52-I54 PolarHBondContact O-N 2.93Å; E52-I54 VanDerWaalsContact O-N 3.13Å
53D44.8Very low49.4Very low163 Ų163143.6 Ų143.687%0.87279%0.786SS**  trans-63.9101.6164.8-74.6-44.2000109.5E55D53-E55 PolarHBondContact O-N 2.99Å
54I50.1Low51.1Low144 Ų144145.5 Ų145.574%0.73878%0.781SS**  trans-76.998.7174.2-57.7164000108.4E52 V56E52-I54 PolarHBondContact O-N 2.93Å; E52-I54 VanDerWaalsContact O-N 3.13Å; I54-V56 HydrophobicContact CG2-CG2 3.93Å; I54-V56 PolarHBondContact O-N 3.26Å
55E52.2Low52.6Low191 Ų191145 Ų14589%0.89377%0.77SS**  trans-71.8103.1165.2-80.7-176.4157.900109.5D53 E57D53-E55 PolarHBondContact O-N 2.99Å; E55-E57 PolarHBondContact O-N 3.07Å
56V60.5Low54.5Low114 Ų114144.7 Ų144.769%0.69176%0.762SS**  trans-82.6103.7173.9-179.30000109.1I54 Y58I54-V56 HydrophobicContact CG2-CG2 3.93Å; I54-V56 PolarHBondContact O-N 3.26Å; V56-Y58 PolarHBondContact O-N 3.17Å
57E57.4Low56.3Low170 Ų170143 Ų14379%0.79474%0.743SS**  trans-80.6111.4171.4-153.2174.5-156.700109.4E55 I59E55-E57 PolarHBondContact O-N 3.07Å; E57-I59 PolarHBondContact O-N 3.44Å; E57-I59 VanDerWaalsContact O-N 3.14Å
58Y55.2Low58.5Low211 Ų211141.4 Ų141.483%0.82774%0.741SS**  trans-78.896.5-179.2-131.9-91000109.6V56 T60V56-Y58 PolarHBondContact O-N 3.17Å; Y58-T60 PolarHBondContact O-N 3.13Å
59I62.8Low60.2Low143 Ų143138.8 Ų138.873%0.73372%0.724SS**  trans-85.4103.8174.2-55.7169.7000108E57 E61E57-I59 PolarHBondContact O-N 3.44Å; E57-I59 VanDerWaalsContact O-N 3.14Å; I59-E61 PolarHBondContact O-N 3.3Å
60T64.9Low62.1Low124 Ų124137.1 Ų137.176%0.76171%0.705SS**PPolyproline II helixtrans-65.1116.3168.315.80000109.9Y58 E62Y58-T60 PolarHBondContact O-N 3.13Å; T60-E62 PolarHBondContact O-N 2.63Å
61E68.8Low64Low184 Ų184134.1 Ų134.186%0.8669%0.689SS**PPolyproline II helixtrans-60.3131.8168.2-84.5-177.2154.100110.2I59I59-E61 PolarHBondContact O-N 3.3Å
62E68.2Low65.8Low186 Ų186134.4 Ų134.487%0.86968%0.679SS**PPolyproline II helixtrans-67.5124.9173.4-66.5-173.6163.700109.3T60 D64T60-E62 PolarHBondContact O-N 2.63Å; E62-D64 PolarHBondContact O-N 3.21Å
63P64.4Low67.5Low71 Ų71129.9 Ų129.946%0.46166%0.657SS.*PPolyproline II helixtrans-65.4133.6-178.624.8-33000111.6L65 Y70P63-L65 PolarHBondContact O-N 3.03Å; P63-Y70 HydrophobicContact CB-CD2 3.7Å; P63-Y70 HydrophobicContact CB-CE1 4.41Å; P63-Y70 HydrophobicContact CB-CE2 3.47Å; P63-Y70 VanDerWaalsContact CB-CE2 3.47Å; P63-Y70 HydrophobicContact CB-CG 4.28Å; P63-Y70 HydrophobicContact CG-CD2 4.12Å; P63-Y70 HydrophobicContact CG-CE1 4.3Å; P63-Y70 HydrophobicContact CG-CE2 3.35Å; P63-Y70 VanDerWaalsContact CG-CZ 3.44Å; P63-Y70 WeakPolarHBondContact CG-OH 3.46Å
64D72Confident69.2Low108 Ų108124.8 Ų124.858%0.57863%0.628SS**PPolyproline II helixtrans-62.6118.7179.5-171.9-3.3000111.1E62 S66 D67E62-D64 PolarHBondContact O-N 3.21Å; D64-S66 PolarHBondContact O-N 2.96Å; D64-S66 VanDerWaalsContact OD1-CB 3.24Å; D64-S66 WeakPolarHBondContact OD1-CB 3.33Å; D64-S66 PolarHBondContact OD1-N 2.91Å; D64-S66 PolarHBondContact OD1-OG 3.19Å; D64-D67 PolarHBondContact O-N 3.23Å
65L68.8Low70.4Confident127 Ų127126 Ų12667%0.66563%0.628SS**THydrogen-bonded Turntrans-65-6.8178.6-72151.8000113.1P63 Y70 M74P63-L65 PolarHBondContact O-N 3.03Å; L65-Y70 HydrophobicContact CD2-CE1 4.16Å; L65-M74 HydrophobicContact CD2-CE 4.17Å
66S76.5Confident71.6Confident94 Ų94119.8 Ų119.866%0.65760%0.603SS**THydrogen-bonded Turntrans-90.6-12.9-179.2-45.10000114D64 P68D64-S66 PolarHBondContact O-N 2.96Å; D64-S66 VanDerWaalsContact OD1-CB 3.24Å; D64-S66 WeakPolarHBondContact OD1-CB 3.33Å; D64-S66 PolarHBondContact OD1-N 2.91Å; D64-S66 PolarHBondContact OD1-OG 3.19Å; S66-P68 WeakPolarHBondContact O-CD 3.27Å
67D78.9Confident72.2Confident78 Ų78119.5 Ų119.542%0.41759%0.593SS.*  trans-81.1120-176.2-172.5-4000112.1D64 M69 Y70 L71D64-D67 PolarHBondContact O-N 3.23Å; D67-M69 PolarHBondContact O-N 2.94Å; D67-M69 VanDerWaalsContact O-N 3.15Å; D67-M69 PolarHBondContact OD1-N 3Å; D67-Y70 WeakPolarHBondContact O-CB 3.46Å; D67-Y70 PolarHBondContact O-N 2.68Å; D67-L71 PolarHBondContact O-N 3.12Å
68P80.7Confident72.8Confident101 Ų101117.2 Ų117.266%0.65658%0.582SS**Hα-helixtrans-55-29.2173.9-24.333.6000114.1S66 Y72S66-P68 WeakPolarHBondContact O-CD 3.27Å; P68-Y72 PolarHBondContact O-N 3.34Å
69M76.5Confident73.6Confident111 Ų111112.1 Ų112.155%0.54757%0.573SS.*Hα-helixtrans-72-37.7175.4-83.7-68.1-78.600112.1D67 L71 Y72 F73D67-M69 PolarHBondContact O-N 2.94Å; D67-M69 VanDerWaalsContact O-N 3.15Å; D67-M69 PolarHBondContact OD1-N 3Å; M69-L71 VanDerWaalsContact C-N 3.33Å; M69-L71 PolarHBondContact O-N 2.94Å; M69-Y72 WeakPolarHBondContact O-CB 3.33Å; M69-Y72 PolarHBondContact O-N 3.24Å; M69-F73 HydrophobicContact CE-CD2 4.36Å; M69-F73 HydrophobicContact CE-CE2 3.59Å; M69-F73 VanDerWaalsContact O-CD2 3.28Å; M69-F73 WeakPolarHBondContact O-CD2 3.4Å; M69-F73 PolarHBondContact O-N 2.87Å; M69-F73 HydrophobicContact SD-CE2 4.4Å
70Y77.4Confident73.7Confident54 Ų54114.1 Ų114.121%0.21257%0.573CS.*Hα-helixtrans-65-38174.9-178.5-112.9000111.6P63 L65 D67 Y72 F73 M74 F77P63-Y70 HydrophobicContact CB-CD2 3.7Å; P63-Y70 HydrophobicContact CB-CE1 4.41Å; P63-Y70 HydrophobicContact CB-CE2 3.47Å; P63-Y70 VanDerWaalsContact CB-CE2 3.47Å; P63-Y70 HydrophobicContact CB-CG 4.28Å; P63-Y70 HydrophobicContact CG-CD2 4.12Å; P63-Y70 HydrophobicContact CG-CE1 4.3Å; P63-Y70 HydrophobicContact CG-CE2 3.35Å; P63-Y70 VanDerWaalsContact CG-CZ 3.44Å; P63-Y70 WeakPolarHBondContact CG-OH 3.46Å; L65-Y70 HydrophobicContact CD2-CE1 4.16Å; D67-Y70 WeakPolarHBondContact O-CB 3.46Å; D67-Y70 PolarHBondContact O-N 2.68Å; Y70-Y72 VanDerWaalsContact C-N 3.31Å; Y70-Y72 PolarHBondContact O-N 3.08Å; Y70-F73 CarbonylContact O-C 3.57Å; Y70-F73 PolarHBondContact O-N 3.29Å; Y70-M74 HydrophobicContact CE1-CE 4.12Å; Y70-M74 WeakPolarHBondContact O-CA 3.33Å; Y70-M74 WeakPolarHBondContact O-CB 3.42Å; Y70-M74 PolarHBondContact O-N 3.41Å; Y70-F77 HydrophobicContact CD2-CD2 4.17Å; Y70-F77 AromaticContact CD2-CE2 3.99Å; Y70-F77 HydrophobicContact CD2-CE2 3.99Å; Y70-F77 AromaticContact CE2-CD2 3.86Å; Y70-F77 HydrophobicContact CE2-CD2 3.86Å; Y70-F77 HydrophobicContact CE2-CE2 4.06Å
71L78.4Confident73.8Confident101 Ų101115.6 Ų115.653%0.52957%0.569SS.*Hα-helixtrans-62.1-36.1173.7-69.3173000113.1D67 M69 M74D67-L71 PolarHBondContact O-N 3.12Å; M69-L71 VanDerWaalsContact C-N 3.33Å; M69-L71 PolarHBondContact O-N 2.94Å; L71-M74 HydrophobicContact CD2-CE 3.97Å
72Y79.7Confident73.1Confident174 Ų174115.3 Ų115.368%0.68257%0.572SS**Hα-helixtrans-66-41.5175.7-176.9-98.1000111.9P68 M69 Y70P68-Y72 PolarHBondContact O-N 3.34Å; M69-Y72 WeakPolarHBondContact O-CB 3.33Å; M69-Y72 PolarHBondContact O-N 3.24Å; Y70-Y72 VanDerWaalsContact C-N 3.31Å; Y70-Y72 PolarHBondContact O-N 3.08Å
73F79.8Confident72.4Confident79 Ų79109.4 Ų109.435%0.34655%0.551SS.*Hα-helixtrans-88.4-7.1179.4-70.6-73.3000114.3M69 Y70 K75 V76 F77M69-F73 HydrophobicContact CE-CD2 4.36Å; M69-F73 HydrophobicContact CE-CE2 3.59Å; M69-F73 VanDerWaalsContact O-CD2 3.28Å; M69-F73 WeakPolarHBondContact O-CD2 3.4Å; M69-F73 PolarHBondContact O-N 2.87Å; M69-F73 HydrophobicContact SD-CE2 4.4Å; Y70-F73 CarbonylContact O-C 3.57Å; Y70-F73 PolarHBondContact O-N 3.29Å; F73-K75 PolarHBondContact O-N 3.37Å; F73-V76 HydrophobicContact CD1-CB 4.36Å; F73-V76 HydrophobicContact CD1-CG2 4.22Å; F73-V76 CarbonylContact O-C 3.57Å; F73-V76 WeakPolarHBondContact O-CA 3.35Å; F73-V76 WeakPolarHBondContact O-CB 3.43Å; F73-V76 PolarHBondContact O-N 3.19Å; F73-F77 HydrophobicContact CB-CD2 3.79Å; F73-F77 HydrophobicContact CB-CE2 3.37Å; F73-F77 HydrophobicContact CB-CZ 3.98Å; F73-F77 HydrophobicContact CG-CE2 4.42Å; F73-F77 WeakPolarHBondContact O-CD2 3.28Å; F73-F77 PolarHBondContact O-N 2.97Å
74M80Confident71.7Confident56 Ų56108 Ų10828%0.27655%0.546SS..Hα-helixtrans-55.6-40.4-178.3-155.5-161-103.800111.7L65 Y70 L71 V76 F77 E78L65-M74 HydrophobicContact CD2-CE 4.17Å; Y70-M74 HydrophobicContact CE1-CE 4.12Å; Y70-M74 WeakPolarHBondContact O-CA 3.33Å; Y70-M74 WeakPolarHBondContact O-CB 3.42Å; Y70-M74 PolarHBondContact O-N 3.41Å; L71-M74 HydrophobicContact CD2-CE 3.97Å; M74-V76 VanDerWaalsContact C-N 3.32Å; M74-V76 PolarHBondContact O-N 3.03Å; M74-F77 PolarHBondContact O-N 3.35Å; M74-E78 WeakPolarHBondContact O-CB 3.43Å; M74-E78 WeakPolarHBondContact O-CG 3.45Å; M74-E78 PolarHBondContact O-N 2.9Å
75K75.9Confident70.9Confident168 Ų168107.8 Ų107.873%0.7355%0.55SS*.Hα-helixtrans-67.8-29.8175.8-129.1175.5-173.2174.90113.3F73 T79F73-K75 PolarHBondContact O-N 3.37Å; K75-T79 VanDerWaalsContact O-CG2 3.3Å; K75-T79 WeakPolarHBondContact O-CG2 3.44Å; K75-T79 PolarHBondContact O-N 3.15Å; K75-T79 PolarHBondContact O-OG1 2.85Å
76V77Confident70.3Confident62 Ų62108 Ų10838%0.37655%0.548SS..Hα-helixtrans-77.3-42.9175.3-175.90000109.5F73 M74 E78 T79 Y80F73-V76 HydrophobicContact CD1-CB 4.36Å; F73-V76 HydrophobicContact CD1-CG2 4.22Å; F73-V76 CarbonylContact O-C 3.57Å; F73-V76 WeakPolarHBondContact O-CA 3.35Å; F73-V76 WeakPolarHBondContact O-CB 3.43Å; F73-V76 PolarHBondContact O-N 3.19Å; M74-V76 VanDerWaalsContact C-N 3.32Å; M74-V76 PolarHBondContact O-N 3.03Å; V76-E78 VanDerWaalsContact C-N 3.35Å; V76-E78 PolarHBondContact O-N 3.15Å; V76-T79 WeakPolarHBondContact CA-OG1 3.32Å; V76-T79 PolarHBondContact O-N 2.85Å; V76-T79 PolarHBondContact O-OG1 2.92Å; V76-Y80 HydrophobicContact CG1-CD2 3.89Å; V76-Y80 HydrophobicContact CG1-CE2 4.21Å; V76-Y80 WeakPolarHBondContact O-CD2 3.33Å; V76-Y80 PolarHBondContact O-N 3.48Å
77F73.1Confident69.5Low107 Ų107107.5 Ų107.547%0.46954%0.538SS..Hα-helixtrans-66.3-34.7176-65-50.7000112.8Y70 F73 M74 K81Y70-F77 HydrophobicContact CD2-CD2 4.17Å; Y70-F77 AromaticContact CD2-CE2 3.99Å; Y70-F77 HydrophobicContact CD2-CE2 3.99Å; Y70-F77 AromaticContact CE2-CD2 3.86Å; Y70-F77 HydrophobicContact CE2-CD2 3.86Å; Y70-F77 HydrophobicContact CE2-CE2 4.06Å; F73-F77 HydrophobicContact CB-CD2 3.79Å; F73-F77 HydrophobicContact CB-CE2 3.37Å; F73-F77 HydrophobicContact CB-CZ 3.98Å; F73-F77 HydrophobicContact CG-CE2 4.42Å; F73-F77 WeakPolarHBondContact O-CD2 3.28Å; F73-F77 PolarHBondContact O-N 2.97Å; M74-F77 PolarHBondContact O-N 3.35Å; F77-K81 WeakPolarHBondContact O-CG 3.42Å; F77-K81 PolarHBondContact O-N 3.25Å
78E70.3Confident68.6Low123 Ų123107.5 Ų107.558%0.57554%0.537SS*.Hα-helixtrans-67.8-33.7172.5-77.9-177.9164.900113.3M74 V76M74-E78 WeakPolarHBondContact O-CB 3.43Å; M74-E78 WeakPolarHBondContact O-CG 3.45Å; M74-E78 PolarHBondContact O-N 2.9Å; V76-E78 VanDerWaalsContact C-N 3.35Å; V76-E78 PolarHBondContact O-N 3.15Å
79T72.4Confident67.7Low103 Ų103105.9 Ų105.963%0.63253%0.525SS*.Hα-helixtrans-79.6-25.5178.746.20000113.3K75 V76K75-T79 VanDerWaalsContact O-CG2 3.3Å; K75-T79 WeakPolarHBondContact O-CG2 3.44Å; K75-T79 PolarHBondContact O-N 3.15Å; K75-T79 PolarHBondContact O-OG1 2.85Å; V76-T79 WeakPolarHBondContact CA-OG1 3.32Å; V76-T79 PolarHBondContact O-N 2.85Å; V76-T79 PolarHBondContact O-OG1 2.92Å
80Y64.8Low67.1Low185 Ų185105.5 Ų105.573%0.72552%0.52SS*.SBendtrans-110.913.4179.5-71.2-84.2000113.9V76 L82V76-Y80 HydrophobicContact CG1-CD2 3.89Å; V76-Y80 HydrophobicContact CG1-CE2 4.21Å; V76-Y80 WeakPolarHBondContact O-CD2 3.33Å; V76-Y80 PolarHBondContact O-N 3.48Å; Y80-L82 PolarHBondContact O-N 3.2Å
81K67.1Low66.6Low156 Ų156108.6 Ų108.668%0.67854%0.537SS*.  trans-58.6108.3168-104.4174.5-1771790107.6F77 S83F77-K81 WeakPolarHBondContact O-CG 3.42Å; F77-K81 PolarHBondContact O-N 3.25Å; K81-S83 PolarHBondContact O-N 3.4Å
82L53.5Low66.3Low178 Ų178109.4 Ų109.493%0.93254%0.538SS*.  trans-64.473.6166-77.4152.2000107.5Y80 A84Y80-L82 PolarHBondContact O-N 3.2Å; L82-A84 PolarHBondContact O-N 3.36Å; L82-A84 VanDerWaalsContact O-N 3.15Å
83S52.8Low65.9Low62 Ų62106.3 Ų106.343%0.43453%0.529SS..  trans-62116.5160.240.20000105.7K81 I88K81-S83 PolarHBondContact O-N 3.4Å; S83-I88 WeakPolarHBondContact OG-CD1 3.43Å; S83-I88 WeakPolarHBondContact OG-CG1 3.49Å
84A50.1Low65.5Low42 Ų42110 Ų11035%0.34754%0.541SS..  trans-50.1139.417100000107.3L82 E86 D87L82-A84 PolarHBondContact O-N 3.36Å; L82-A84 VanDerWaalsContact O-N 3.15Å; A84-E86 PolarHBondContact O-N 2.92Å; A84-D87 PolarHBondContact O-N 3.21Å
85P55.2Low65.2Low102 Ų102116.4 Ų116.466%0.66256%0.562SS**Hα-helixtrans-53.4-20.8177.819-29.9000112V89P85-V89 WeakPolarHBondContact O-CB 3.39Å; P85-V89 WeakPolarHBondContact O-CG2 3.47Å; P85-V89 PolarHBondContact O-N 3.06Å
86E56Low65.1Low133 Ų133114.8 Ų114.862%0.62156%0.557SS**Hα-helixtrans-69.5-28.6173.7-56.8-172.5175.100114.8A84 K90A84-E86 PolarHBondContact O-N 2.92Å; E86-K90 WeakPolarHBondContact O-CB 3.47Å; E86-K90 WeakPolarHBondContact O-CD 3.36Å; E86-K90 WeakPolarHBondContact O-CG 3.46Å; E86-K90 PolarHBondContact O-N 3Å; E86-K90 VanDerWaalsContact O-N 3.12Å
87D59Low64.9Low83 Ų83118.5 Ų118.544%0.44457%0.57SS.*Hα-helixtrans-90.3-30.4-177.9-67.5-26.4000112.4A84 V89 K90 E91A84-D87 PolarHBondContact O-N 3.21Å; D87-V89 VanDerWaalsContact C-N 3.35Å; D87-K90 PolarHBondContact O-N 3.43Å; D87-K90 IonicContact OD1-NZ 3.71Å; D87-K90 PolarHBondContact OD1-NZ 3.45Å; D87-E91 WeakPolarHBondContact O-CB 3.31Å; D87-E91 PolarHBondContact O-N 3.12Å
88I60Low64.8Low78 Ų78119.4 Ų119.440%0.457%0.574SS.*Hα-helixtrans-66.2-42.3169.3-54.1161.6000109.5S83 E91 E92S83-I88 WeakPolarHBondContact OG-CD1 3.43Å; S83-I88 WeakPolarHBondContact OG-CG1 3.49Å; I88-E91 PolarHBondContact O-N 3.38Å; I88-E92 WeakPolarHBondContact O-CB 3.46Å; I88-E92 WeakPolarHBondContact O-CG 3.49Å; I88-E92 PolarHBondContact O-N 2.99Å
89V62.2Low64.8Low67 Ų67118.2 Ų118.241%0.40657%0.569SS.*Hα-helixtrans-65.2-41.1176.11720000111.1P85 D87 E91 E92 E93P85-V89 WeakPolarHBondContact O-CB 3.39Å; P85-V89 WeakPolarHBondContact O-CG2 3.47Å; P85-V89 PolarHBondContact O-N 3.06Å; D87-V89 VanDerWaalsContact C-N 3.35Å; V89-E91 PolarHBondContact O-N 3.46Å; V89-E92 PolarHBondContact O-N 2.95Å; V89-E93 HydrophobicContact CG1-CG 4.24Å; V89-E93 VanDerWaalsContact O-CB 3.22Å; V89-E93 WeakPolarHBondContact O-CB 3.31Å; V89-E93 WeakPolarHBondContact O-CG 3.47Å; V89-E93 PolarHBondContact O-N 3.47Å
90K65.3Low64.7Low103 Ų103118.9 Ų118.945%0.44856%0.563SS.*Hα-helixtrans-67-33.7174.9-76.5168.3-163.5156.90113.7E86 D87 R94E86-K90 WeakPolarHBondContact O-CB 3.47Å; E86-K90 WeakPolarHBondContact O-CD 3.36Å; E86-K90 WeakPolarHBondContact O-CG 3.46Å; E86-K90 PolarHBondContact O-N 3Å; E86-K90 VanDerWaalsContact O-N 3.12Å; D87-K90 PolarHBondContact O-N 3.43Å; D87-K90 IonicContact OD1-NZ 3.71Å; D87-K90 PolarHBondContact OD1-NZ 3.45Å; K90-R94 WeakPolarHBondContact O-CB 3.4Å; K90-R94 PolarHBondContact O-N 3.45Å
91E66.8Low64.6Low119 Ų119116.4 Ų116.456%0.55655%0.552SS**Hα-helixtrans-73.2-41.1176.9-155.682.4179.600111D87 I88 V89 R94 R95D87-E91 WeakPolarHBondContact O-CB 3.31Å; D87-E91 PolarHBondContact O-N 3.12Å; I88-E91 PolarHBondContact O-N 3.38Å; V89-E91 PolarHBondContact O-N 3.46Å; E91-R94 PolarHBondContact O-N 3.14Å; E91-R94 IonicContact OE2-CZ 2.75Å; E91-R94 IonicContact OE2-NH2 2.89Å; E91-R94 PolarHBondContact OE2-NH2 3.04Å; E91-R95 WeakPolarHBondContact O-CB 3.13Å; E91-R95 PolarHBondContact O-N 3.31Å
92E70.7Confident64.7Low118 Ų118112.1 Ų112.155%0.55154%0.537SS*.Hα-helixtrans-65.1-45172.4-76.2-176160.200111.5I88 V89 R94 R95 E96I88-E92 WeakPolarHBondContact O-CB 3.46Å; I88-E92 WeakPolarHBondContact O-CG 3.49Å; I88-E92 PolarHBondContact O-N 2.99Å; V89-E92 PolarHBondContact O-N 2.95Å; E92-R94 PolarHBondContact O-N 3.44Å; E92-R95 PolarHBondContact O-N 3.02Å; E92-R95 VanDerWaalsContact O-N 3.15Å; E92-E96 WeakPolarHBondContact O-CB 3.44Å; E92-E96 WeakPolarHBondContact O-CG 3.3Å; E92-E96 PolarHBondContact O-N 3.09Å
93E70.9Confident65.2Low109 Ų109110.8 Ų110.851%0.50952%0.52SS..Hα-helixtrans-60.2-42.7174.5-78177.6168.100111.6V89 R95 E96 E97V89-E93 HydrophobicContact CG1-CG 4.24Å; V89-E93 VanDerWaalsContact O-CB 3.22Å; V89-E93 WeakPolarHBondContact O-CB 3.31Å; V89-E93 WeakPolarHBondContact O-CG 3.47Å; V89-E93 PolarHBondContact O-N 3.47Å; E93-R95 VanDerWaalsContact C-N 3.35Å; E93-R95 PolarHBondContact O-N 3.24Å; E93-E96 PolarHBondContact O-N 3.21Å; E93-E97 WeakPolarHBondContact O-CB 3.45Å; E93-E97 WeakPolarHBondContact O-CG 3.46Å; E93-E97 PolarHBondContact O-N 3.45Å
94R72.9Confident65.4Low156 Ų156112.2 Ų112.259%0.58952%0.519SS*.Hα-helixtrans-63.9-38174.2-100.5-168.7-64.3-155.83.3112.8K90 E91 E92 F98K90-R94 WeakPolarHBondContact O-CB 3.4Å; K90-R94 PolarHBondContact O-N 3.45Å; E91-R94 PolarHBondContact O-N 3.14Å; E91-R94 IonicContact OE2-CZ 2.75Å; E91-R94 IonicContact OE2-NH2 2.89Å; E91-R94 PolarHBondContact OE2-NH2 3.04Å; E92-R94 PolarHBondContact O-N 3.44Å; R94-F98 WeakPolarHBondContact O-CB 3.47Å; R94-F98 PolarHBondContact O-N 3.23Å
95R73.4Confident65.9Low191 Ų191119 Ų11972%0.72154%0.536SS*.Hα-helixtrans-71.9-39.5-179.9-152.8178.2-169.6-1593110.9E91 E92 E93 F98 E99E91-R95 WeakPolarHBondContact O-CB 3.13Å; E91-R95 PolarHBondContact O-N 3.31Å; E92-R95 PolarHBondContact O-N 3.02Å; E92-R95 VanDerWaalsContact O-N 3.15Å; E93-R95 VanDerWaalsContact C-N 3.35Å; E93-R95 PolarHBondContact O-N 3.24Å; R95-F98 PolarHBondContact O-N 3.21Å; R95-E99 WeakPolarHBondContact O-CB 3.35Å; R95-E99 WeakPolarHBondContact O-CG 3.36Å; R95-E99 PolarHBondContact O-N 3.15Å
96E73.9Confident66.1Low134 Ų134121.5 Ų121.563%0.62654%0.543SS*.Hα-helixtrans-65-42.4171.7-73.2-172.9172.400111.8E92 E93 F98 E99 K100E92-E96 WeakPolarHBondContact O-CB 3.44Å; E92-E96 WeakPolarHBondContact O-CG 3.3Å; E92-E96 PolarHBondContact O-N 3.09Å; E93-E96 PolarHBondContact O-N 3.21Å; E96-F98 PolarHBondContact O-N 3.31Å; E96-E99 PolarHBondContact O-N 3.4Å; E96-K100 WeakPolarHBondContact O-CB 3.35Å; E96-K100 PolarHBondContact O-N 3.47Å
97E72Confident66.2Low139 Ų139116.5 Ų116.565%0.6552%0.524SS*.Hα-helixtrans-61.8-41.3173.4-81.1-172.5161.100111.9E93 K100 W101E93-E97 WeakPolarHBondContact O-CB 3.45Å; E93-E97 WeakPolarHBondContact O-CG 3.46Å; E93-E97 PolarHBondContact O-N 3.45Å; E97-K100 PolarHBondContact O-N 3.01Å; E97-W101 VanDerWaalsContact O-CB 3.27Å; E97-W101 WeakPolarHBondContact O-CB 3.21Å; E97-W101 PolarHBondContact O-N 3.24Å
98F71.6Confident66.1Low126 Ų126117.1 Ų117.155%0.55353%0.533SS*.Hα-helixtrans-69-39.7177.6-170.3-101.1000112.7R94 R95 E96 W101 N102R94-F98 WeakPolarHBondContact O-CB 3.47Å; R94-F98 PolarHBondContact O-N 3.23Å; R95-F98 PolarHBondContact O-N 3.21Å; E96-F98 PolarHBondContact O-N 3.31Å; F98-W101 HydrophobicContact CE2-CE3 4.48Å; F98-W101 PolarHBondContact O-N 3.05Å; F98-N102 WeakPolarHBondContact CE1-ND2 3.5Å; F98-N102 PolarHBondContact O-N 3.34Å
99E71.2Confident66.1Low98 Ų98122.2 Ų122.246%0.45855%0.552SS.*Hα-helixtrans-69-34.1172.7-77.5-166.418000112.9R95 E96 R103R95-E99 WeakPolarHBondContact O-CB 3.35Å; R95-E99 WeakPolarHBondContact O-CG 3.36Å; R95-E99 PolarHBondContact O-N 3.15Å; E96-E99 PolarHBondContact O-N 3.4Å; E99-R103 WeakPolarHBondContact O-CB 3.23Å; E99-R103 PolarHBondContact O-N 2.77Å; E99-R103 IonicContact OE2-NH2 3.17Å; E99-R103 PolarHBondContact OE2-NH2 3.1Å
100K68.4Low66.1Low118 Ų118122.9 Ų122.951%0.51357%0.565SS.*Hα-helixtrans-68-42.6174.6-161.3176.3-174.9-174.10110.3E96 E97 R103 E104 D119E96-K100 WeakPolarHBondContact O-CB 3.35Å; E96-K100 PolarHBondContact O-N 3.47Å; E97-K100 PolarHBondContact O-N 3.01Å; K100-R103 PolarHBondContact O-N 2.87Å; K100-E104 PolarHBondContact O-N 2.9Å; K100-D119 IonicContact NZ-OD2 2.73Å
101W64.6Low65.9Low133 Ų133119.9 Ų119.950%0.50456%0.559SS.*Hα-helixtrans-60.8-43.3174.2-176.584.9000112.9E97 F98 E104 R105E97-W101 VanDerWaalsContact O-CB 3.27Å; E97-W101 WeakPolarHBondContact O-CB 3.21Å; E97-W101 PolarHBondContact O-N 3.24Å; F98-W101 HydrophobicContact CE2-CE3 4.48Å; F98-W101 PolarHBondContact O-N 3.05Å; W101-E104 PolarHBondContact O-N 3.28Å; W101-R105 VanDerWaalsContact CH2-NH1 3.28Å; W101-R105 PolarHBondContact O-N 2.89Å
102N67.6Low65.7Low66 Ų66116.5 Ų116.535%0.35354%0.544SS..Hα-helixtrans-67.1-37.9174.9-89.4-28.8000112.6F98F98-N102 WeakPolarHBondContact CE1-ND2 3.5Å; F98-N102 PolarHBondContact O-N 3.34Å
103R63.8Low65.6Low150 Ų150115.4 Ų115.457%0.56655%0.546SS*.Hα-helixtrans-67.2-35.9175-100179-78.2-132.3-4.2113.2E99 K100E99-R103 WeakPolarHBondContact O-CB 3.23Å; E99-R103 PolarHBondContact O-N 2.77Å; E99-R103 IonicContact OE2-NH2 3.17Å; E99-R103 PolarHBondContact OE2-NH2 3.1Å; K100-R103 PolarHBondContact O-N 2.87Å
104E58Low65.5Low91 Ų91116.7 Ų116.743%0.42555%0.552SS.*Hα-helixtrans-69.6-32.5178.6-114177.6167.100112.8K100 W101 L106 I112K100-E104 PolarHBondContact O-N 2.9Å; W101-E104 PolarHBondContact O-N 3.28Å; E104-L106 VanDerWaalsContact C-N 3.32Å; E104-L106 PolarHBondContact O-N 3.26Å; E104-I112 WeakPolarHBondContact O-CD1 3.47Å
105R60.7Low65.2Low186 Ų186116.5 Ų116.570%0.70255%0.551SS**Hα-helixtrans-75.3-19.7-177.7-159.8173.3168.7-166.4-4.7113.9W101W101-R105 VanDerWaalsContact CH2-NH1 3.28Å; W101-R105 PolarHBondContact O-N 2.89Å
106L59.7Low65.2Low154 Ų154111.5 Ų111.581%0.80654%0.537SS*.THydrogen-bonded Turntrans-99.8-3.7-179.1-80.6151.3000113.7E104E104-L106 VanDerWaalsContact C-N 3.32Å; E104-L106 PolarHBondContact O-N 3.26Å
107A56.6Low65.3Low27 Ų27109 Ų10922%0.22353%0.531CS..SBendtrans-90.6139.9-176.700000112.4I112A107-I112 HydrophobicContact CB-CD1 4.48Å; A107-I112 HydrophobicContact CB-CG1 4.05Å
108P58.1Low65.5Low97 Ų97107.3 Ų107.363%0.6352%0.523SS*.  trans-61.8140.2174.326.1-32.6000110A110 A111P108-A110 PolarHBondContact O-N 2.84Å; P108-A111 HydrophobicContact CG-CB 4.35Å; P108-A111 PolarHBondContact O-N 3.08Å
109K59.4Low65.8Low184 Ų184104.7 Ų104.780%0.852%0.515SS*.Hα-helixtrans-49.3-24.4-172.3-67.9178.2177.5175.70115.3
110A61.6Low66.1Low82 Ų82103.8 Ų103.868%0.67852%0.516SS*.Hα-helixtrans-72-35.9175.800000113.7P108P108-A110 PolarHBondContact O-N 2.84Å
111A62.5Low66.5Low40 Ų40103.8 Ų103.833%0.33152%0.518SS..Hα-helixtrans-75.6-25.7-179.600000113P108 R115P108-A111 HydrophobicContact CG-CB 4.35Å; P108-A111 PolarHBondContact O-N 3.08Å; A111-R115 PolarHBondContact O-N 3.29Å
112I61.4Low67.3Low48 Ų48103.8 Ų103.825%0.24652%0.523CS..Hα-helixtrans-69.4-42.9176.9-62.3172.1000110.3E104 A107 I116E104-I112 WeakPolarHBondContact O-CD1 3.47Å; A107-I112 HydrophobicContact CB-CD1 4.48Å; A107-I112 HydrophobicContact CB-CG1 4.05Å; I112-I116 HydrophobicContact CG2-CD1 3.76Å; I112-I116 WeakPolarHBondContact O-CD1 3.5Å; I112-I116 VanDerWaalsContact O-CG1 3.23Å; I112-I116 WeakPolarHBondContact O-CG1 3.43Å; I112-I116 PolarHBondContact O-N 3.49Å; I112-I116 VanDerWaalsContact O-N 3.09Å
113V69.5Low67.8Low95 Ų95103.2 Ų103.258%0.57653%0.528SS*.Hα-helixtrans-67.6-39.3-178.8177.20000111.7I116 V117V113-I116 PolarHBondContact O-N 3.08Å; V113-V117 WeakPolarHBondContact O-CG2 3.47Å; V113-V117 PolarHBondContact O-N 3.09Å
114E69.2Low68.5Low136 Ų136102.7 Ų102.764%0.63653%0.53SS*.Hα-helixtrans-68.8-39.2-179.2-151.7174.7-15900112.1V117 Q118E114-V117 PolarHBondContact O-N 3.33Å; E114-Q118 PolarHBondContact O-N 2.98Å; E114-Q118 VanDerWaalsContact O-N 3.15Å
115R66.8Low69.5Low151 Ų151103.4 Ų103.457%0.5753%0.533SS*.Hα-helixtrans-66.3-41.5173.2-83.6-174.5-178164.21.8113.3A111 V117 Q118 D119A111-R115 PolarHBondContact O-N 3.29Å; R115-V117 PolarHBondContact O-N 2.82Å; R115-Q118 PolarHBondContact O-N 3.34Å; R115-Q118 VanDerWaalsContact O-N 3.15Å; R115-D119 WeakPolarHBondContact O-CB 3.26Å; R115-D119 PolarHBondContact O-N 3.31Å
116I72.1Confident70.3Confident86 Ų8697.2 Ų97.244%0.44152%0.522SS..Hα-helixtrans-61-37177.1-68.9165.2000111I112 V113 V120I112-I116 HydrophobicContact CG2-CD1 3.76Å; I112-I116 WeakPolarHBondContact O-CD1 3.5Å; I112-I116 VanDerWaalsContact O-CG1 3.23Å; I112-I116 WeakPolarHBondContact O-CG1 3.43Å; I112-I116 PolarHBondContact O-N 3.49Å; I112-I116 VanDerWaalsContact O-N 3.09Å; V113-I116 PolarHBondContact O-N 3.08Å; I116-V120 HydrophobicContact CG2-CG2 4.44Å; I116-V120 WeakPolarHBondContact O-CB 3.13Å; I116-V120 WeakPolarHBondContact O-CG2 3.36Å; I116-V120 PolarHBondContact O-N 2.84Å; I116-V120 VanDerWaalsContact O-N 3.09Å
117V75.4Confident71.1Confident81 Ų8196.9 Ų96.949%0.49151%0.514SS..Hα-helixtrans-67.8-41.4176.4174.20000111.3V113 E114 R115 V120 E121V113-V117 WeakPolarHBondContact O-CG2 3.47Å; V113-V117 PolarHBondContact O-N 3.09Å; E114-V117 PolarHBondContact O-N 3.33Å; R115-V117 PolarHBondContact O-N 2.82Å; V117-V120 PolarHBondContact O-N 3.32Å; V117-E121 PolarHBondContact O-N 3.47Å; V117-E121 VanDerWaalsContact O-N 3.08Å
118Q76.9Confident71.9Confident104 Ų104101.4 Ų101.449%0.48653%0.533SS..Hα-helixtrans-64.9-48.1176-73.4176.9-9.700112.1E114 R115 V120 E121 E122E114-Q118 PolarHBondContact O-N 2.98Å; E114-Q118 VanDerWaalsContact O-N 3.15Å; R115-Q118 PolarHBondContact O-N 3.34Å; R115-Q118 VanDerWaalsContact O-N 3.15Å; Q118-V120 VanDerWaalsContact C-N 3.28Å; Q118-V120 PolarHBondContact O-N 2.96Å; Q118-E121 PolarHBondContact O-N 3.19Å; Q118-E121 VanDerWaalsContact O-N 3.08Å; Q118-E122 PolarHBondContact O-N 3.35Å
119D78Confident72.7Confident72 Ų72104.6 Ų104.639%0.38553%0.533SS..Hα-helixtrans-60.2-37178-75.611.3000111.6K100 R115 A123K100-D119 IonicContact NZ-OD2 2.73Å; R115-D119 WeakPolarHBondContact O-CB 3.26Å; R115-D119 PolarHBondContact O-N 3.31Å; D119-A123 WeakPolarHBondContact O-CB 3.49Å; D119-A123 PolarHBondContact O-N 2.92Å
120V78.4Confident73.2Confident78 Ų78100.5 Ų100.547%0.47352%0.517SS..Hα-helixtrans-71.4-33.7176.6170.40000112.4I116 V117 Q118 K124I116-V120 HydrophobicContact CG2-CG2 4.44Å; I116-V120 WeakPolarHBondContact O-CB 3.13Å; I116-V120 WeakPolarHBondContact O-CG2 3.36Å; I116-V120 PolarHBondContact O-N 2.84Å; I116-V120 VanDerWaalsContact O-N 3.09Å; V117-V120 PolarHBondContact O-N 3.32Å; Q118-V120 VanDerWaalsContact C-N 3.28Å; Q118-V120 PolarHBondContact O-N 2.96Å; V120-K124 PolarHBondContact O-N 2.84Å
121E76.9Confident73.4Confident118 Ų118101.9 Ų101.955%0.55151%0.513SS*.Hα-helixtrans-74-41174.2-78-168.1152.400112.2V117 Q118 K124 Q125V117-E121 PolarHBondContact O-N 3.47Å; V117-E121 VanDerWaalsContact O-N 3.08Å; Q118-E121 PolarHBondContact O-N 3.19Å; Q118-E121 VanDerWaalsContact O-N 3.08Å; E121-K124 WeakPolarHBondContact O-CB 2.86Å; E121-K124 PolarHBondContact O-N 3.16Å; E121-Q125 WeakPolarHBondContact O-CG 3.48Å; E121-Q125 PolarHBondContact O-N 3.12Å
122E80.4Confident73.4Confident133 Ų133103.9 Ų103.962%0.62153%0.529SS*.Hα-helixtrans-64.3-44.5174.4-74.1-171.2167.800111.6Q118 K124 Q125 A126Q118-E122 PolarHBondContact O-N 3.35Å; E122-K124 VanDerWaalsContact C-N 3.26Å; E122-K124 PolarHBondContact O-N 3.4Å; E122-Q125 PolarHBondContact O-N 2.9Å; E122-Q125 VanDerWaalsContact O-N 3.1Å; E122-A126 WeakPolarHBondContact O-CB 3.43Å; E122-A126 PolarHBondContact O-N 3.08Å
123A79.1Confident73.5Confident55 Ų55109 Ų10946%0.45555%0.552SS.*Hα-helixtrans-62-32.3174.800000112.7D119 K127D119-A123 WeakPolarHBondContact O-CB 3.49Å; D119-A123 PolarHBondContact O-N 2.92Å; A123-K127 PolarHBondContact O-N 3.02Å; A123-K127 VanDerWaalsContact O-N 3.13Å
124K78.8Confident73.2Confident139 Ų139109.8 Ų109.860%0.60455%0.548SS*.Hα-helixtrans-71.3-41.5172.1-94177.8-178.1160.60112.3V120 E121 E122 L128V120-K124 PolarHBondContact O-N 2.84Å; E121-K124 WeakPolarHBondContact O-CB 2.86Å; E121-K124 PolarHBondContact O-N 3.16Å; E122-K124 VanDerWaalsContact C-N 3.26Å; E122-K124 PolarHBondContact O-N 3.4Å; K124-L128 WeakPolarHBondContact O-CB 3.44Å; K124-L128 WeakPolarHBondContact O-CD1 3.47Å; K124-L128 VanDerWaalsContact O-CG 3.31Å; K124-L128 WeakPolarHBondContact O-CG 3.12Å; K124-L128 PolarHBondContact O-N 2.77Å
125Q77Confident73.1Confident106 Ų106108.5 Ų108.550%0.49555%0.551SS.*Hα-helixtrans-67.9-39.2176.9-73.4-167.823.500111.5E121 E122 L128 R129E121-Q125 WeakPolarHBondContact O-CG 3.48Å; E121-Q125 PolarHBondContact O-N 3.12Å; E122-Q125 PolarHBondContact O-N 2.9Å; E122-Q125 VanDerWaalsContact O-N 3.1Å; Q125-L128 PolarHBondContact O-N 3.46Å; Q125-R129 WeakPolarHBondContact O-CG 3.27Å; Q125-R129 PolarHBondContact O-N 2.97Å
126A79.2Confident73.2Confident55 Ų55112.6 Ų112.646%0.45557%0.567SS.*Hα-helixtrans-60.2-48.6174.100000111.3E122 L128 R129 E130E122-A126 WeakPolarHBondContact O-CB 3.43Å; E122-A126 PolarHBondContact O-N 3.08Å; A126-L128 VanDerWaalsContact C-N 3.31Å; A126-L128 PolarHBondContact O-N 2.88Å; A126-R129 PolarHBondContact O-N 3.3Å; A126-R129 VanDerWaalsContact O-N 3.15Å; A126-E130 WeakPolarHBondContact O-CB 3.43Å; A126-E130 PolarHBondContact O-N 2.83Å
127K76.2Confident73.2Confident148 Ų148112.9 Ų112.964%0.64357%0.568SS**Hα-helixtrans-61.6-35.3174.4-78.9-175.1176.51780113.5A123 D131A123-K127 PolarHBondContact O-N 3.02Å; A123-K127 VanDerWaalsContact O-N 3.13Å; K127-D131 WeakPolarHBondContact O-CB 3.36Å; K127-D131 PolarHBondContact O-N 2.96Å
128L73.1Confident73.7Confident121 Ų121112.5 Ų112.563%0.63457%0.569SS**Hα-helixtrans-71.7-33176-77165.1000112.6K124 Q125 A126 A132K124-L128 WeakPolarHBondContact O-CB 3.44Å; K124-L128 WeakPolarHBondContact O-CD1 3.47Å; K124-L128 VanDerWaalsContact O-CG 3.31Å; K124-L128 WeakPolarHBondContact O-CG 3.12Å; K124-L128 PolarHBondContact O-N 2.77Å; Q125-L128 PolarHBondContact O-N 3.46Å; A126-L128 VanDerWaalsContact C-N 3.31Å; A126-L128 PolarHBondContact O-N 2.88Å; L128-A132 VanDerWaalsContact O-CB 3.3Å; L128-A132 WeakPolarHBondContact O-CB 3.46Å; L128-A132 PolarHBondContact O-N 3.26Å
129R73.9Confident74.1Confident164 Ų164115.6 Ų115.662%0.61958%0.581SS**Hα-helixtrans-71.5-44.5173.2-73.2178.6-175.4-174.94.6111Q125 A126 D131 A132 E133Q125-R129 WeakPolarHBondContact O-CG 3.27Å; Q125-R129 PolarHBondContact O-N 2.97Å; A126-R129 PolarHBondContact O-N 3.3Å; A126-R129 VanDerWaalsContact O-N 3.15Å; R129-D131 PolarHBondContact O-N 3.13Å; R129-A132 CarbonylContact O-C 3.57Å; R129-A132 WeakPolarHBondContact O-CA 3.43Å; R129-A132 WeakPolarHBondContact O-CB 3.11Å; R129-A132 PolarHBondContact O-N 3.06Å; R129-E133 WeakPolarHBondContact O-CB 3.42Å; R129-E133 WeakPolarHBondContact O-CG 3.45Å; R129-E133 PolarHBondContact O-N 3.43Å
130E71Confident74.4Confident98 Ų98119.6 Ų119.646%0.45860%0.595SS.*Hα-helixtrans-63.4-39.5177.6-154.5-158.8143.100112.3A126 A132 E133 K134A126-E130 WeakPolarHBondContact O-CB 3.43Å; A126-E130 PolarHBondContact O-N 2.83Å; E130-A132 VanDerWaalsContact C-N 3.28Å; E130-A132 PolarHBondContact O-N 2.92Å; E130-E133 PolarHBondContact O-N 3.31Å; E130-K134 WeakPolarHBondContact O-CG 3.45Å; E130-K134 PolarHBondContact O-N 3.5Å; E130-K134 VanDerWaalsContact O-N 3.13Å; E130-K134 WeakPolarHBondContact OE1-CE 3.23Å; E130-K134 IonicContact OE1-NZ 3.73Å; E130-K134 PolarHBondContact OE1-NZ 3.37Å
131D65Low74.9Confident112 Ų112122.1 Ų122.160%0.59960%0.6SS**Hα-helixtrans-71.4-20.3173.2-85-14.9000113.2K127 R129K127-D131 WeakPolarHBondContact O-CB 3.36Å; K127-D131 PolarHBondContact O-N 2.96Å; R129-D131 PolarHBondContact O-N 3.13Å
132A64Low75.3Confident82 Ų82119.9 Ų119.968%0.67859%0.591SS**Hα-helixtrans-87.7-28.8174.600000112.6L128 R129 E130L128-A132 VanDerWaalsContact O-CB 3.3Å; L128-A132 WeakPolarHBondContact O-CB 3.46Å; L128-A132 PolarHBondContact O-N 3.26Å; R129-A132 CarbonylContact O-C 3.57Å; R129-A132 WeakPolarHBondContact O-CA 3.43Å; R129-A132 WeakPolarHBondContact O-CB 3.11Å; R129-A132 PolarHBondContact O-N 3.06Å; E130-A132 VanDerWaalsContact C-N 3.28Å; E130-A132 PolarHBondContact O-N 2.92Å
133E61.8Low75.5Confident154 Ų154121.4 Ų121.472%0.7259%0.591SS**Hα-helixtrans-82.7-25.7178.5-77.3176.2-178.100113.3R129 E130 P135R129-E133 WeakPolarHBondContact O-CB 3.42Å; R129-E133 WeakPolarHBondContact O-CG 3.45Å; R129-E133 PolarHBondContact O-N 3.43Å; E130-E133 PolarHBondContact O-N 3.31Å; E133-P135 WeakPolarHBondContact O-CD 3.44Å
134K65Low75.8Confident113 Ų113124.4 Ų124.449%0.49160%0.599SS.*SBendtrans-64.7108.2168.8-74.7168-171.1164.20108.5E130 R136E130-K134 WeakPolarHBondContact O-CG 3.45Å; E130-K134 PolarHBondContact O-N 3.5Å; E130-K134 VanDerWaalsContact O-N 3.13Å; E130-K134 WeakPolarHBondContact OE1-CE 3.23Å; E130-K134 IonicContact OE1-NZ 3.73Å; E130-K134 PolarHBondContact OE1-NZ 3.37Å; K134-R136 PolarHBondContact O-N 2.97Å
135P65.4Low76.1Confident108 Ų108123.7 Ų123.770%0.70160%0.601SS**  trans-61.1114-176.125-32.6000107.9E133 L137E133-P135 WeakPolarHBondContact O-CD 3.44Å; P135-L137 VanDerWaalsContact C-N 3.28Å; P135-L137 PolarHBondContact O-N 2.8Å
136R69.9Low76.6Confident238 Ų238125.3 Ų125.390%0.89861%0.61SS**  trans-62.996.3177.9-61.8-175.389.917011.2107.7K134 S138K134-R136 PolarHBondContact O-N 2.97Å; R136-S138 PolarHBondContact O-N 3.22Å
137L72.2Confident77.1Confident91 Ų91127.7 Ų127.748%0.47661%0.608SS.*  trans-50.2127.2-179.2-30.3149.3000107.5P135 K139 L142P135-L137 VanDerWaalsContact C-N 3.28Å; P135-L137 PolarHBondContact O-N 2.8Å; L137-K139 PolarHBondContact O-N 3.13Å; L137-L142 HydrophobicContact CD1-CD1 3.51Å
138S86.5Confident77.9Confident73 Ų73122 Ų12251%0.5159%0.586SS.*  trans-54.7139.7170.6173.50000108.9R136 K140 K141 L142R136-S138 PolarHBondContact O-N 3.22Å; S138-K140 CarbonylContact O-C 3.52Å; S138-K140 PolarHBondContact O-N 3.45Å; S138-K140 PolarHBondContact OG-N 3.03Å; S138-K141 WeakPolarHBondContact O-CA 3.2Å; S138-K141 WeakPolarHBondContact O-CB 3.27Å; S138-K141 PolarHBondContact O-N 2.74Å; S138-L142 PolarHBondContact O-N 2.91Å
139K84.7Confident78.8Confident170 Ų170118.8 Ų118.874%0.73957%0.573SS**Hα-helixtrans-52.5-22.9175.5-67.9-177.4179.31800113L137 R143L137-K139 PolarHBondContact O-N 3.13Å; K139-R143 WeakPolarHBondContact O-CG 3.3Å; K139-R143 PolarHBondContact O-N 3.45Å; K139-R143 PolarHBondContact O-NE 2.9Å
140K84.8Confident79.8Confident156 Ų156114.3 Ų114.368%0.67856%0.561SS**Hα-helixtrans-73.9-44.3172.6-66.8-175.5178.9-178.30111.8S138 R143 L144S138-K140 CarbonylContact O-C 3.52Å; S138-K140 PolarHBondContact O-N 3.45Å; S138-K140 PolarHBondContact OG-N 3.03Å; K140-R143 PolarHBondContact O-N 2.92Å; K140-L144 PolarHBondContact O-N 3.43Å
141K87.2Confident80.9Confident130 Ų130111.7 Ų111.757%0.56556%0.56SS**Hα-helixtrans-65.4-42.4177.3-169.3172.9-1771780111.5S138 R143 L144 L145S138-K141 WeakPolarHBondContact O-CA 3.2Å; S138-K141 WeakPolarHBondContact O-CB 3.27Å; S138-K141 PolarHBondContact O-N 2.74Å; K141-R143 VanDerWaalsContact C-N 3.34Å; K141-R143 PolarHBondContact O-N 3.44Å; K141-L144 PolarHBondContact O-N 3.04Å; K141-L145 HydrophobicContact CG-CD1 4.22Å; K141-L145 WeakPolarHBondContact O-CG 3.19Å; K141-L145 PolarHBondContact O-N 2.85Å
142L85.8Confident82.3Confident71 Ų71112 Ų11237%0.37256%0.558SS.*Hα-helixtrans-58.1-45.4173.5-172.184.3000111.6L137 S138 L144 L145 M146L137-L142 HydrophobicContact CD1-CD1 3.51Å; S138-L142 PolarHBondContact O-N 2.91Å; L142-L144 VanDerWaalsContact C-N 3.33Å; L142-L144 PolarHBondContact O-N 3.35Å; L142-L145 PolarHBondContact O-N 3.13Å; L142-M146 HydrophobicContact CD1-CE 4.26Å; L142-M146 HydrophobicContact CD2-CE 4.2Å; L142-M146 HydrophobicContact CD2-SD 4.38Å; L142-M146 HydrophobicContact CG-CE 4.11Å; L142-M146 HydrophobicContact CG-SD 4.19Å; L142-M146 WeakPolarHBondContact O-CG 3.36Å; L142-M146 PolarHBondContact O-N 3.01Å
143R84.3Confident83.8Confident165 Ų165108.1 Ų108.162%0.62353%0.526SS*.Hα-helixtrans-65.1-34.7177.7-80.9-175.4-77.2168-7.4113.3K139 K140 K141 M146 R147K139-R143 WeakPolarHBondContact O-CG 3.3Å; K139-R143 PolarHBondContact O-N 3.45Å; K139-R143 PolarHBondContact O-NE 2.9Å; K140-R143 PolarHBondContact O-N 2.92Å; K141-R143 VanDerWaalsContact C-N 3.34Å; K141-R143 PolarHBondContact O-N 3.44Å; R143-M146 PolarHBondContact O-N 3.46Å; R143-R147 PolarHBondContact O-N 3.23Å
144L86Confident85.5Confident118 Ų118105 Ų10562%0.61851%0.51SS*.Hα-helixtrans-70.9-38.4176.9-171.166.6000111.7K140 K141 L142 M146 R147K140-L144 PolarHBondContact O-N 3.43Å; K141-L144 PolarHBondContact O-N 3.04Å; L142-L144 VanDerWaalsContact C-N 3.33Å; L142-L144 PolarHBondContact O-N 3.35Å; L144-M146 VanDerWaalsContact C-N 3.31Å; L144-R147 WeakPolarHBondContact O-CB 3.44Å; L144-R147 PolarHBondContact O-N 3.3Å
145L86.1Confident86.9Confident124 Ų124103.9 Ų103.965%0.64952%0.522SS*.Hα-helixtrans-67.6-30.1174.7-74.1162.7000112.7K141 L142 R147K141-L145 HydrophobicContact CG-CD1 4.22Å; K141-L145 WeakPolarHBondContact O-CG 3.19Å; K141-L145 PolarHBondContact O-N 2.85Å; L142-L145 PolarHBondContact O-N 3.13Å; L145-R147 VanDerWaalsContact C-N 3.33Å
146M86.1Confident88.2Confident140 Ų140101.9 Ų101.969%0.6951%0.51SS*.THydrogen-bonded Turntrans-82.5-7.4177-73.3177.8166.400114L142 R143 L144 P148L142-M146 HydrophobicContact CD1-CE 4.26Å; L142-M146 HydrophobicContact CD2-CE 4.2Å; L142-M146 HydrophobicContact CD2-SD 4.38Å; L142-M146 HydrophobicContact CG-CE 4.11Å; L142-M146 HydrophobicContact CG-SD 4.19Å; L142-M146 WeakPolarHBondContact O-CG 3.36Å; L142-M146 PolarHBondContact O-N 3.01Å; R143-M146 PolarHBondContact O-N 3.46Å; L144-M146 VanDerWaalsContact C-N 3.31Å; M146-P148 WeakPolarHBondContact O-CD 3.35Å
147R90.8Very high89.3Confident105 Ų10591.7 Ų91.740%0.39647%0.474SS..PPolyproline II helixtrans-76.6119.8-178.9165.2162.8175.4-155.82.2108.9R143 L144 L145 V168 T169R143-R147 PolarHBondContact O-N 3.23Å; L144-R147 WeakPolarHBondContact O-CB 3.44Å; L144-R147 PolarHBondContact O-N 3.3Å; L145-R147 VanDerWaalsContact C-N 3.33Å; R147-V168 WeakPolarHBondContact CD-O 3.39Å; R147-V168 HydrophobicContact CG-CB 4.16Å; R147-V168 WeakPolarHBondContact CG-O 3.38Å; R147-V168 VanDerWaalsContact NE-CG2 3.29Å; R147-V168 PolarHBondContact NE-O 3.24Å; R147-T169 VanDerWaalsContact NH1-CG2 3.33Å
148P91.4Very high90.3Very high30 Ų3097.4 Ų97.420%0.19550%0.496CS..PPolyproline II helixtrans-66.2152.6176.628.6-34000110.5M146 E152 V168 P173M146-P148 WeakPolarHBondContact O-CD 3.35Å; P148-E152 WeakPolarHBondContact CA-OE2 3.35Å; P148-E152 HydrophobicContact CB-CB 4.35Å; P148-V168 VanDerWaalsContact O-CG1 3.31Å; P148-V168 WeakPolarHBondContact O-CG1 3.39Å; P148-P173 HydrophobicContact CG-CB 4.1Å; P148-P173 HydrophobicContact CG-CG 3.98Å
149S93.1Very high90.6Very high52 Ų52100.6 Ų100.636%0.36450%0.497SS..PPolyproline II helixtrans-67158.2166.972.70000110.2G151 E152 L153S149-G151 PolarHBondContact O-N 2.6Å; S149-E152 WeakPolarHBondContact CB-OE1 3.44Å; S149-E152 PolarHBondContact N-OE2 2.89Å; S149-E152 VanDerWaalsContact N-OE2 3.12Å; S149-E152 PolarHBondContact O-N 3.13Å; S149-E152 WeakPolarHBondContact OG-CB 3.4Å; S149-E152 WeakPolarHBondContact OG-CG 3.17Å; S149-E152 PolarHBondContact OG-N 3.48Å; S149-E152 VanDerWaalsContact OG-N 3.15Å; S149-E152 PolarHBondContact OG-OE1 3.24Å; S149-L153 PolarHBondContact O-N 3.1Å
150I94.3Very high91.2Very high71 Ų7195.3 Ų95.336%0.36448%0.48SS..Hα-helixtrans-63.9-33176.6-176.1157.1000111.5L153 K154 V163 W165 V168I150-L153 PolarHBondContact O-N 3.24Å; I150-K154 HydrophobicContact CG1-CD 4.39Å; I150-K154 HydrophobicContact CG1-CG 4.44Å; I150-K154 WeakPolarHBondContact O-CB 3.42Å; I150-K154 WeakPolarHBondContact O-CG 3.5Å; I150-K154 PolarHBondContact O-N 2.73Å; I150-V163 HydrophobicContact CG1-CG1 4.28Å; I150-W165 HydrophobicContact CD1-CB 4.45Å; I150-V168 HydrophobicContact CB-CG1 4.23Å
151G95.4Very high91.7Very high43 Ų4393.4 Ų93.444%0.44348%0.477SS..Hα-helixtrans-64.7-48.6176.100000111.7S149 L153 K154 A155S149-G151 PolarHBondContact O-N 2.6Å; G151-L153 VanDerWaalsContact C-N 3.31Å; G151-L153 PolarHBondContact O-N 3.27Å; G151-K154 PolarHBondContact O-N 2.94Å; G151-A155 WeakPolarHBondContact O-CB 3.27Å; G151-A155 PolarHBondContact O-N 3.44Å
152E94.2Very high92Very high118 Ų11888.7 Ų88.755%0.55146%0.459SS*.Hα-helixtrans-58.2-43.6173.9-75.3153.4-132.400112P148 S149 A155 S156P148-E152 WeakPolarHBondContact CA-OE2 3.35Å; P148-E152 HydrophobicContact CB-CB 4.35Å; S149-E152 WeakPolarHBondContact CB-OE1 3.44Å; S149-E152 PolarHBondContact N-OE2 2.89Å; S149-E152 VanDerWaalsContact N-OE2 3.12Å; S149-E152 PolarHBondContact O-N 3.13Å; S149-E152 WeakPolarHBondContact OG-CB 3.4Å; S149-E152 WeakPolarHBondContact OG-CG 3.17Å; S149-E152 PolarHBondContact OG-N 3.48Å; S149-E152 VanDerWaalsContact OG-N 3.15Å; S149-E152 PolarHBondContact OG-OE1 3.24Å; E152-A155 PolarHBondContact O-N 2.89Å; E152-S156 WeakPolarHBondContact O-CB 3.35Å; E152-S156 PolarHBondContact O-N 3.49Å; E152-S156 PolarHBondContact O-OG 3.31Å
153L95.1Very high92.5Very high1 Ų185.6 Ų85.61%0.00544%0.443CS..Hα-helixtrans-64.1-46.8-179.7-173.358.6000110.9S149 I150 G151 S156 T157 V163 D167 V168 P173 K174 V177S149-L153 PolarHBondContact O-N 3.1Å; I150-L153 PolarHBondContact O-N 3.24Å; G151-L153 VanDerWaalsContact C-N 3.31Å; G151-L153 PolarHBondContact O-N 3.27Å; L153-S156 PolarHBondContact O-N 3.34Å; L153-S156 PolarHBondContact O-OG 3.12Å; L153-T157 HydrophobicContact CD1-CG2 4.28Å; L153-T157 WeakPolarHBondContact O-CG2 3.5Å; L153-T157 PolarHBondContact O-N 3.47Å; L153-T157 PolarHBondContact O-OG1 3.47Å; L153-V163 HydrophobicContact CB-CG1 4.45Å; L153-V163 HydrophobicContact CD2-CG1 3.79Å; L153-V163 HydrophobicContact CG-CG1 4.02Å; L153-D167 HydrophobicContact CD2-CB 4.06Å; L153-V168 HydrophobicContact CB-CG1 4.32Å; L153-V168 HydrophobicContact CD2-CG1 3.86Å; L153-P173 HydrophobicContact CD1-CB 3.92Å; L153-P173 HydrophobicContact CD2-CB 3.88Å; L153-K174 HydrophobicContact CD1-CG 4.29Å; L153-V177 HydrophobicContact CD1-CG2 4.22Å; L153-V177 HydrophobicContact CD2-CG2 3.91Å; L153-V177 HydrophobicContact CG-CG2 4.11Å
154K96.8Very high93Very high89 Ų8982.5 Ų82.539%0.38744%0.435SS..Hα-helixtrans-59.2-47.3175.5-77.3-173.9173-164.10111.9I150 G151 S156 T157 P160 V163I150-K154 HydrophobicContact CG1-CD 4.39Å; I150-K154 HydrophobicContact CG1-CG 4.44Å; I150-K154 WeakPolarHBondContact O-CB 3.42Å; I150-K154 WeakPolarHBondContact O-CG 3.5Å; I150-K154 PolarHBondContact O-N 2.73Å; G151-K154 PolarHBondContact O-N 2.94Å; K154-S156 VanDerWaalsContact C-N 3.26Å; K154-S156 PolarHBondContact O-N 2.99Å; K154-T157 PolarHBondContact O-N 3.13Å; K154-T157 PolarHBondContact O-OG1 3.36Å; K154-P160 HydrophobicContact CB-CB 3.91Å; K154-P160 WeakPolarHBondContact CE-O 3.45Å; K154-P160 HydrophobicContact CG-CB 4.09Å; K154-V163 HydrophobicContact CG-CB 3.82Å; K154-V163 HydrophobicContact CG-CG1 3.95Å; K154-V163 HydrophobicContact CG-CG2 4.13Å
155A95.3Very high93.3Very high89 Ų8984.6 Ų84.674%0.73644%0.435SS*.Hα-helixtrans-60.9-35.2178.700000112.5G151 E152 T157G151-A155 WeakPolarHBondContact O-CB 3.27Å; G151-A155 PolarHBondContact O-N 3.44Å; E152-A155 PolarHBondContact O-N 2.89Å; A155-T157 VanDerWaalsContact C-N 3.31Å; A155-T157 PolarHBondContact O-N 3.04Å
156S92.6Very high93.7Very high65 Ų6580.5 Ų80.546%0.45541%0.413SS..THydrogen-bonded Turntrans-77.7-10.2-179.872.80000115.1E152 L153 K154E152-S156 WeakPolarHBondContact O-CB 3.35Å; E152-S156 PolarHBondContact O-N 3.49Å; E152-S156 PolarHBondContact O-OG 3.31Å; L153-S156 PolarHBondContact O-N 3.34Å; L153-S156 PolarHBondContact O-OG 3.12Å; K154-S156 VanDerWaalsContact C-N 3.26Å; K154-S156 PolarHBondContact O-N 2.99Å
157T92.7Very high94.2Very high24 Ų2474.3 Ų74.315%0.14738%0.382CS..SBendtrans-111.6141.6-168.857.70000112.1L153 K154 A155 R159 V177L153-T157 HydrophobicContact CD1-CG2 4.28Å; L153-T157 WeakPolarHBondContact O-CG2 3.5Å; L153-T157 PolarHBondContact O-N 3.47Å; L153-T157 PolarHBondContact O-OG1 3.47Å; K154-T157 PolarHBondContact O-N 3.13Å; K154-T157 PolarHBondContact O-OG1 3.36Å; A155-T157 VanDerWaalsContact C-N 3.31Å; A155-T157 PolarHBondContact O-N 3.04Å; T157-R159 VanDerWaalsContact C-N 3.31Å; T157-R159 PolarHBondContact O-N 3.44Å; T157-V177 HydrophobicContact CG2-CB 3.92Å; T157-V177 HydrophobicContact CG2-CG1 3.42Å; T157-V177 VanDerWaalsContact CG2-CG1 3.42Å; T157-V177 HydrophobicContact CG2-CG2 4.48Å
158K93Very high94.4Very high212 Ų21269.7 Ų69.792%0.92237%0.366SS*.SBendtrans-65.3-31.6178-63.7-173.7178.4-172.70113.5P160K158-P160 WeakPolarHBondContact O-CD 3.44Å
159R94Very high94.4Very high140 Ų14072.3 Ų72.353%0.52838%0.381SS..  trans-119.785.3178.8-76-169.9120.2132.26.4109.6T157 D161 V162T157-R159 VanDerWaalsContact C-N 3.31Å; T157-R159 PolarHBondContact O-N 3.44Å; R159-D161 VanDerWaalsContact C-OD1 3.28Å; R159-D161 WeakPolarHBondContact CA-OD1 3.2Å; R159-D161 WeakPolarHBondContact CB-OD1 3.35Å; R159-D161 PolarHBondContact O-N 2.75Å; R159-V162 HydrophobicContact CB-CG2 4.36Å; R159-V162 VanDerWaalsContact O-CG2 3.31Å; R159-V162 WeakPolarHBondContact O-CG2 3.44Å
160P95.7Very high94.4Very high59 Ų5971.4 Ų71.438%0.38338%0.377SS..G310 helixtrans-75.1-11.7-177.629.4-35.3000113.9K154 K158 V163K154-P160 HydrophobicContact CB-CB 3.91Å; K154-P160 WeakPolarHBondContact CE-O 3.45Å; K154-P160 HydrophobicContact CG-CB 4.09Å; K158-P160 WeakPolarHBondContact O-CD 3.44Å; P160-V163 PolarHBondContact O-N 2.87Å
161D95.1Very high94.3Very high116 Ų11678.8 Ų78.862%0.6241%0.407SS*.G310 helixtrans-67.6-34.117859.9-43.8000113R159 V163R159-D161 VanDerWaalsContact C-OD1 3.28Å; R159-D161 WeakPolarHBondContact CA-OD1 3.2Å; R159-D161 WeakPolarHBondContact CB-OD1 3.35Å; R159-D161 PolarHBondContact O-N 2.75Å; D161-V163 VanDerWaalsContact C-N 3.28Å; D161-V163 PolarHBondContact O-N 3.42Å
162V94.9Very high94.2Very high31 Ų3180.7 Ų80.719%0.18841%0.406CS..G310 helixtrans-79-10.5179.3-58.30000113.6R159 E164 V177 K180R159-V162 HydrophobicContact CB-CG2 4.36Å; R159-V162 VanDerWaalsContact O-CG2 3.31Å; R159-V162 WeakPolarHBondContact O-CG2 3.44Å; V162-E164 PolarHBondContact O-N 2.89Å; V162-V177 HydrophobicContact CG2-CG1 4.06Å; V162-K180 HydrophobicContact CB-CD 3.78Å; V162-K180 HydrophobicContact CB-CG 4.04Å; V162-K180 HydrophobicContact CG2-CB 4.35Å; V162-K180 HydrophobicContact CG2-CD 4.21Å; V162-K180 HydrophobicContact CG2-CG 4.33Å; V162-K180 WeakPolarHBondContact O-CD 3.19Å; V162-K180 PolarHBondContact O-NZ 3.36Å; V162-K180 VanDerWaalsContact O-NZ 3.16Å
163V95.9Very high94.2Very high6 Ų675.9 Ų75.94%0.03639%0.385CS..  trans-76.2117.2-175-176.90000110.7I150 L153 K154 P160 D161 V177I150-V163 HydrophobicContact CG1-CG1 4.28Å; L153-V163 HydrophobicContact CB-CG1 4.45Å; L153-V163 HydrophobicContact CD2-CG1 3.79Å; L153-V163 HydrophobicContact CG-CG1 4.02Å; K154-V163 HydrophobicContact CG-CB 3.82Å; K154-V163 HydrophobicContact CG-CG1 3.95Å; K154-V163 HydrophobicContact CG-CG2 4.13Å; P160-V163 PolarHBondContact O-N 2.87Å; D161-V163 VanDerWaalsContact C-N 3.28Å; D161-V163 PolarHBondContact O-N 3.42Å; V163-V177 HydrophobicContact CG1-CG2 4.46Å; V163-V177 HydrophobicContact CG2-CB 4.44Å; V163-V177 HydrophobicContact CG2-CG1 3.67Å; V163-V177 HydrophobicContact CG2-CG2 3.86Å
164E94.7Very high94.1Very high99 Ų9982.5 Ų82.546%0.46341%0.414SS..  trans-102.1158179.3-67.1-70.7-178.200111.4V162 H166 D167V162-E164 PolarHBondContact O-N 2.89Å; E164-H166 PolarHBondContact O-N 3.39Å; E164-H166 VanDerWaalsContact O-N 3.08Å; E164-D167 PolarHBondContact N-OD2 3.2Å; E164-D167 WeakPolarHBondContact O-CB 3.43Å; E164-D167 PolarHBondContact O-N 3.44Å
165W93Very high94Very high162 Ų16282.4 Ų82.461%0.61442%0.418SS*.THydrogen-bonded Turntrans-60.3-22.2179.165.9-91.5000114.4I150 V168I150-W165 HydrophobicContact CD1-CB 4.45Å; W165-V168 WeakPolarHBondContact O-CG2 3.35Å
166H94.3Very high94Very high39 Ų3981.1 Ų81.118%0.18140%0.398CS..THydrogen-bonded Turntrans-78.8-25.7175.9-63.7-79.2000113.3E164 V168 T169 W192E164-H166 PolarHBondContact O-N 3.39Å; E164-H166 VanDerWaalsContact O-N 3.08Å; H166-V168 VanDerWaalsContact C-N 3.26Å; H166-V168 PolarHBondContact O-N 2.85Å; H166-T169 WeakPolarHBondContact O-CB 2.99Å; H166-T169 PolarHBondContact O-N 3.3Å; H166-T169 PolarHBondContact O-OG1 3.32Å; H166-W192 HydrophobicContact CB-CH2 4.15Å; H166-W192 HydrophobicContact CB-CZ2 4.23Å; H166-W192 AromaticContact CD2-CH2 3.79Å; H166-W192 AromaticContact CD2-CZ2 3.44Å; H166-W192 VanDerWaalsContact CD2-CZ2 3.44Å; H166-W192 WeakPolarHBondContact CD2-CZ2 3.39Å; H166-W192 AromaticContact CE1-CH2 3.47Å; H166-W192 VanDerWaalsContact CE1-CH2 3.47Å; H166-W192 WeakPolarHBondContact CE1-CH2 3.43Å; H166-W192 AromaticContact CE1-CZ2 3.8Å; H166-W192 AromaticContact CG-CH2 3.65Å; H166-W192 AromaticContact CG-CZ2 3.73Å; H166-W192 AromaticContact ND1-CH2 3.51Å; H166-W192 AromaticContact ND1-CZ2 4Å; H166-W192 AromaticContact NE2-CH2 3.66Å; H166-W192 AromaticContact NE2-CZ2 3.46Å; H166-W192 WeakPolarHBondContact NE2-CZ2 3.33Å
167D95.6Very high94.2Very high10 Ų1078.1 Ų78.15%0.05338%0.377CS..G310 helixtrans-66.1-31.8-168.7-63.6-21.9000111.9L153 E164 T169 A170 L176 V177 K180L153-D167 HydrophobicContact CD2-CB 4.06Å; E164-D167 PolarHBondContact N-OD2 3.2Å; E164-D167 WeakPolarHBondContact O-CB 3.43Å; E164-D167 PolarHBondContact O-N 3.44Å; D167-T169 PolarHBondContact O-N 3.05Å; D167-T169 VanDerWaalsContact O-N 3.16Å; D167-A170 WeakPolarHBondContact O-CB 3.49Å; D167-A170 PolarHBondContact O-N 2.99Å; D167-L176 HydrophobicContact CB-CD2 4.08Å; D167-V177 HydrophobicContact CB-CG2 4.32Å; D167-K180 IonicContact OD1-NZ 3.95Å; D167-K180 PolarHBondContact OD1-NZ 3.1Å; D167-K180 IonicContact OD2-NZ 3.04Å; D167-K180 PolarHBondContact OD2-NZ 3.02Å
168V94.3Very high94.3Very high7 Ų782.8 Ų82.84%0.04240%0.397CS..G310 helixtrans-61.1-21.9173.2-69.50000113.1R147 P148 I150 L153 W165 H166 A170R147-V168 WeakPolarHBondContact CD-O 3.39Å; R147-V168 HydrophobicContact CG-CB 4.16Å; R147-V168 WeakPolarHBondContact CG-O 3.38Å; R147-V168 VanDerWaalsContact NE-CG2 3.29Å; R147-V168 PolarHBondContact NE-O 3.24Å; P148-V168 VanDerWaalsContact O-CG1 3.31Å; P148-V168 WeakPolarHBondContact O-CG1 3.39Å; I150-V168 HydrophobicContact CB-CG1 4.23Å; L153-V168 HydrophobicContact CB-CG1 4.32Å; L153-V168 HydrophobicContact CD2-CG1 3.86Å; W165-V168 WeakPolarHBondContact O-CG2 3.35Å; H166-V168 VanDerWaalsContact C-N 3.26Å; H166-V168 PolarHBondContact O-N 2.85Å; V168-A170 VanDerWaalsContact C-N 3.33Å
169T93.4Very high94.4Very high85 Ų8577.5 Ų77.552%0.52138%0.378SS..G310 helixtrans-85.5-5.1175.365.60000113.9R147 H166 D167R147-T169 VanDerWaalsContact NH1-CG2 3.33Å; H166-T169 WeakPolarHBondContact O-CB 2.99Å; H166-T169 PolarHBondContact O-N 3.3Å; H166-T169 PolarHBondContact O-OG1 3.32Å; D167-T169 PolarHBondContact O-N 3.05Å; D167-T169 VanDerWaalsContact O-N 3.16Å
170A93.1Very high94.5Very high34 Ų3473.6 Ų73.628%0.28137%0.365SS..SBendtrans-64.2157.8179.400000111.4D167 V168 D172 P173 L176D167-A170 WeakPolarHBondContact O-CB 3.49Å; D167-A170 PolarHBondContact O-N 2.99Å; V168-A170 VanDerWaalsContact C-N 3.33Å; A170-D172 PolarHBondContact O-N 2.99Å; A170-P173 HydrophobicContact CB-CG 4.49Å; A170-L176 HydrophobicContact CB-CB 4.37Å; A170-L176 HydrophobicContact CB-CD2 3.57Å
171K91.8Very high94.5Very high226 Ų22672 Ų7298%0.98336%0.356SS*.SBendtrans-62.7-35.7174.2-69.9179.1-178.3173.60111.8
172D93.1Very high94.4Very high82 Ų8268.4 Ų68.444%0.43934%0.341SS..SBendtrans-136.991.1175.3-170-22.3000108.6A170 K174 L175 L176A170-D172 PolarHBondContact O-N 2.99Å; D172-K174 VanDerWaalsContact C-N 3.34Å; D172-K174 PolarHBondContact O-N 3.07Å; D172-K174 PolarHBondContact OD1-N 3.36Å; D172-L175 HydrophobicContact CB-CB 4.05Å; D172-L175 PolarHBondContact OD1-N 3.44Å; D172-L175 WeakPolarHBondContact OD2-CB 3.48Å; D172-L176 WeakPolarHBondContact O-CB 3.47Å; D172-L176 PolarHBondContact O-N 3.32Å; D172-L176 VanDerWaalsContact O-N 3.09Å
173P94.2Very high94.4Very high17 Ų1775.7 Ų75.711%0.1137%0.371CS..Hα-helixtrans-63.2-36.7-178.1-24.835.4000113.2P148 L153 A170 L176 V177P148-P173 HydrophobicContact CG-CB 4.1Å; P148-P173 HydrophobicContact CG-CG 3.98Å; L153-P173 HydrophobicContact CD1-CB 3.92Å; L153-P173 HydrophobicContact CD2-CB 3.88Å; A170-P173 HydrophobicContact CB-CG 4.49Å; P173-L176 PolarHBondContact O-N 3.26Å; P173-V177 WeakPolarHBondContact O-CG2 3.36Å; P173-V177 PolarHBondContact O-N 3.5Å
174K93.4Very high94.3Very high140 Ų14082.1 Ų82.161%0.60941%0.405SS*.Hα-helixtrans-69.4-46.4-177.6-67.9-173.4177.8-174.10111L153 D172 V177 H178L153-K174 HydrophobicContact CD1-CG 4.29Å; D172-K174 VanDerWaalsContact C-N 3.34Å; D172-K174 PolarHBondContact O-N 3.07Å; D172-K174 PolarHBondContact OD1-N 3.36Å; K174-V177 PolarHBondContact O-N 3.02Å; K174-H178 WeakPolarHBondContact O-CB 3.46Å; K174-H178 PolarHBondContact O-N 2.98Å
175L94.9Very high94.3Very high88 Ų8880.5 Ų80.546%0.46140%0.402SS..Hα-helixtrans-63.6-41.3175.6179.562.6000111.9D172 V177 H178 L179D172-L175 HydrophobicContact CB-CB 4.05Å; D172-L175 PolarHBondContact OD1-N 3.44Å; D172-L175 WeakPolarHBondContact OD2-CB 3.48Å; L175-V177 PolarHBondContact O-N 2.72Å; L175-H178 WeakPolarHBondContact O-CB 3.21Å; L175-H178 PolarHBondContact O-N 2.85Å; L175-L179 HydrophobicContact CD1-CG 4.4Å; L175-L179 HydrophobicContact CG-CD1 4.34Å; L175-L179 WeakPolarHBondContact O-CG 3.34Å; L175-L179 PolarHBondContact O-N 3.49Å
176L95.3Very high94.3Very high62 Ų6276.1 Ų76.133%0.32539%0.393SS..Hα-helixtrans-59.9-47.7178.3175.663.2000111.5D167 A170 D172 P173 H178 L179 K180D167-L176 HydrophobicContact CB-CD2 4.08Å; A170-L176 HydrophobicContact CB-CB 4.37Å; A170-L176 HydrophobicContact CB-CD2 3.57Å; D172-L176 WeakPolarHBondContact O-CB 3.47Å; D172-L176 PolarHBondContact O-N 3.32Å; D172-L176 VanDerWaalsContact O-N 3.09Å; P173-L176 PolarHBondContact O-N 3.26Å; L176-H178 VanDerWaalsContact C-N 3.31Å; L176-H178 PolarHBondContact O-N 3.39Å; L176-L179 PolarHBondContact O-N 3.03Å; L176-K180 WeakPolarHBondContact O-CB 3.34Å; L176-K180 PolarHBondContact O-N 2.83Å
177V95.7Very high94.3Very high2 Ų278.3 Ų78.31%0.01241%0.411CS..Hα-helixtrans-65-39.1178.1175.30000110.6L153 T157 V162 V163 D167 P173 K174 L175 L179 K180 S181L153-V177 HydrophobicContact CD1-CG2 4.22Å; L153-V177 HydrophobicContact CD2-CG2 3.91Å; L153-V177 HydrophobicContact CG-CG2 4.11Å; T157-V177 HydrophobicContact CG2-CB 3.92Å; T157-V177 HydrophobicContact CG2-CG1 3.42Å; T157-V177 VanDerWaalsContact CG2-CG1 3.42Å; T157-V177 HydrophobicContact CG2-CG2 4.48Å; V162-V177 HydrophobicContact CG2-CG1 4.06Å; V163-V177 HydrophobicContact CG1-CG2 4.46Å; V163-V177 HydrophobicContact CG2-CB 4.44Å; V163-V177 HydrophobicContact CG2-CG1 3.67Å; V163-V177 HydrophobicContact CG2-CG2 3.86Å; D167-V177 HydrophobicContact CB-CG2 4.32Å; P173-V177 WeakPolarHBondContact O-CG2 3.36Å; P173-V177 PolarHBondContact O-N 3.5Å; K174-V177 PolarHBondContact O-N 3.02Å; L175-V177 PolarHBondContact O-N 2.72Å; V177-L179 VanDerWaalsContact C-N 3.34Å; V177-L179 PolarHBondContact O-N 2.82Å; V177-K180 PolarHBondContact O-N 3.18Å; V177-S181 VanDerWaalsContact O-CB 3.31Å; V177-S181 WeakPolarHBondContact O-CB 3.22Å; V177-S181 PolarHBondContact O-N 3.28Å; V177-S181 PolarHBondContact O-OG 3.43Å
178H95.4Very high94.3Very high122 Ų12283 Ų8357%0.56544%0.44SS*.Hα-helixtrans-56.4-48.6174.5-177.867.9000111.6K174 L175 L176 K180 S181 A182K174-H178 WeakPolarHBondContact O-CB 3.46Å; K174-H178 PolarHBondContact O-N 2.98Å; L175-H178 WeakPolarHBondContact O-CB 3.21Å; L175-H178 PolarHBondContact O-N 2.85Å; L176-H178 VanDerWaalsContact C-N 3.31Å; L176-H178 PolarHBondContact O-N 3.39Å; H178-K180 PolarHBondContact O-N 3.23Å; H178-S181 WeakPolarHBondContact CA-OG 3.34Å; H178-S181 PolarHBondContact O-N 3.28Å; H178-S181 PolarHBondContact O-OG 2.88Å; H178-A182 PolarHBondContact O-N 3.37Å; H178-A182 VanDerWaalsContact O-N 3.15Å
179L95.6Very high94.3Very high100 Ų10085.1 Ų85.152%0.52445%0.453SS..Hα-helixtrans-63.8-40.6176.2-68175.2000112.5L175 L176 V177 S181 A182L175-L179 HydrophobicContact CD1-CG 4.4Å; L175-L179 HydrophobicContact CG-CD1 4.34Å; L175-L179 WeakPolarHBondContact O-CG 3.34Å; L175-L179 PolarHBondContact O-N 3.49Å; L176-L179 PolarHBondContact O-N 3.03Å; V177-L179 VanDerWaalsContact C-N 3.34Å; V177-L179 PolarHBondContact O-N 2.82Å; L179-S181 PolarHBondContact O-N 3.42Å; L179-A182 WeakPolarHBondContact O-CB 3.48Å; L179-A182 PolarHBondContact O-N 2.92Å
180K95.6Very high94.2Very high58 Ų5890.6 Ų90.625%0.25246%0.464SS..Hα-helixtrans-66.4-28.5176.9-163.7-171.8-77.7-179.30112.3V162 D167 L176 V177 H178 T185V162-K180 HydrophobicContact CB-CD 3.78Å; V162-K180 HydrophobicContact CB-CG 4.04Å; V162-K180 HydrophobicContact CG2-CB 4.35Å; V162-K180 HydrophobicContact CG2-CD 4.21Å; V162-K180 HydrophobicContact CG2-CG 4.33Å; V162-K180 WeakPolarHBondContact O-CD 3.19Å; V162-K180 PolarHBondContact O-NZ 3.36Å; V162-K180 VanDerWaalsContact O-NZ 3.16Å; D167-K180 IonicContact OD1-NZ 3.95Å; D167-K180 PolarHBondContact OD1-NZ 3.1Å; D167-K180 IonicContact OD2-NZ 3.04Å; D167-K180 PolarHBondContact OD2-NZ 3.02Å; L176-K180 WeakPolarHBondContact O-CB 3.34Å; L176-K180 PolarHBondContact O-N 2.83Å; V177-K180 PolarHBondContact O-N 3.18Å; H178-K180 PolarHBondContact O-N 3.23Å; K180-T185 PolarHBondContact O-OG1 2.87Å
181S94.7Very high94.3Very high27 Ų2792.3 Ų92.319%0.18947%0.466CS..THydrogen-bonded Turntrans-87.6-6178.271.50000114.3V177 H178 L179V177-S181 VanDerWaalsContact O-CB 3.31Å; V177-S181 WeakPolarHBondContact O-CB 3.22Å; V177-S181 PolarHBondContact O-N 3.28Å; V177-S181 PolarHBondContact O-OG 3.43Å; H178-S181 WeakPolarHBondContact CA-OG 3.34Å; H178-S181 PolarHBondContact O-N 3.28Å; H178-S181 PolarHBondContact O-OG 2.88Å; L179-S181 PolarHBondContact O-N 3.42Å
182A94.5Very high94.4Very high39 Ų3988.4 Ų88.432%0.32245%0.446SS..SBendtrans-68.4148.4-177.400000111.6H178 L179 T185H178-A182 PolarHBondContact O-N 3.37Å; H178-A182 VanDerWaalsContact O-N 3.15Å; L179-A182 WeakPolarHBondContact O-CB 3.48Å; L179-A182 PolarHBondContact O-N 2.92Å; A182-T185 HydrophobicContact CB-CG2 3.7Å; A182-T185 WeakPolarHBondContact O-CG2 3.06Å; A182-T185 PolarHBondContact O-N 2.69Å; A182-T185 PolarHBondContact O-OG1 3.47Å
183K94.2Very high94.4Very high184 Ų18487.4 Ų87.480%0.844%0.444SS*.THydrogen-bonded Turntrans-62138.3-175-174.2175.7173.2113.20111T185K183-T185 PolarHBondContact O-N 2.77Å; K183-T185 VanDerWaalsContact O-N 3.16Å
184N93.8Very high94.4Very high141 Ų14192.5 Ų92.575%0.75447%0.465SS*.THydrogen-bonded Turntrans58.321.8178.7-57.2-15000114.5
185T94.1Very high94.4Very high66 Ų6696.4 Ų96.441%0.40548%0.482SS..PPolyproline II helixtrans-79.3137.8170.558.50000110.6K180 A182 K183K180-T185 PolarHBondContact O-OG1 2.87Å; A182-T185 HydrophobicContact CB-CG2 3.7Å; A182-T185 WeakPolarHBondContact O-CG2 3.06Å; A182-T185 PolarHBondContact O-N 2.69Å; A182-T185 PolarHBondContact O-OG1 3.47Å; K183-T185 PolarHBondContact O-N 2.77Å; K183-T185 VanDerWaalsContact O-N 3.16Å
186V94.2Very high94.2Very high70 Ų70101.4 Ų101.442%0.42450%0.495SS..PPolyproline II helixtrans-96.7128176.6-176.50000108.1L278V186-L278 HydrophobicContact CG1-CD1 3.58Å; V186-L278 HydrophobicContact CG1-CD2 3.91Å; V186-L278 HydrophobicContact CG1-CG 3.66Å
187P94.4Very high94.1Very high85 Ų85107 Ų10755%0.55252%0.516SS*.PPolyproline II helixtrans-65.4157.5-179.527.5-35.2000111.6L278P187-L278 VanDerWaalsContact O-CD1 3.29Å; P187-L278 WeakPolarHBondContact O-CD1 3.35Å
188V94.6Very high94Very high109 Ų109110.5 Ų110.566%0.66153%0.53SS*.PPolyproline II helixtrans-63.4134.2175.4-178.80000109.8R190 W192V188-R190 PolarHBondContact O-N 3.22Å; V188-W192 HydrophobicContact CG1-CG 4.38Å
189P95Very high93.8Very high51 Ų51108.7 Ų108.733%0.33152%0.524SS..PPolyproline II helixtrans-53.5132.5178.1-28.334.6000113.1H191 W192 L278P189-H191 WeakPolarHBondContact CB-ND1 3.45Å; P189-H191 PolarHBondContact O-N 3.03Å; P189-W192 VanDerWaalsContact O-CD1 3.3Å; P189-W192 PolarHBondContact O-N 2.94Å; P189-L278 HydrophobicContact CG-CD1 4.15Å
190R91.5Very high93.6Very high200 Ų200106.4 Ų106.476%0.75552%0.52SS*.G310 helixtrans-56.2-23-170.5-65.8-176.3174-165.3-2.5115.7V188 W192V188-R190 PolarHBondContact O-N 3.22Å; R190-W192 PolarHBondContact O-N 3.01Å
191H94.1Very high93.1Very high70 Ų70105 Ų10532%0.32452%0.522SS..G310 helixtrans-73.9-7.2-172.968.6-93.8000115.1P189 C193 F194 Y198P189-H191 WeakPolarHBondContact CB-ND1 3.45Å; P189-H191 PolarHBondContact O-N 3.03Å; H191-C193 PolarHBondContact O-N 3.47Å; H191-F194 HydrophobicContact CB-CD2 3.98Å; H191-F194 HydrophobicContact CB-CE2 4.42Å; H191-F194 WeakPolarHBondContact O-CB 3.38Å; H191-F194 PolarHBondContact O-N 3.05Å; H191-F194 VanDerWaalsContact O-N 3.09Å; H191-Y198 HydrophobicContact CB-CD2 3.74Å; H191-Y198 HydrophobicContact CB-CE2 4.38Å; H191-Y198 AromaticContact CD2-CD2 3.89Å; H191-Y198 AromaticContact CE1-CD2 3.72Å; H191-Y198 AromaticContact CE1-CE2 3.95Å; H191-Y198 AromaticContact CG-CD2 3.36Å; H191-Y198 AromaticContact CG-CE2 3.98Å; H191-Y198 AromaticContact ND1-CD2 3.25Å; H191-Y198 VanDerWaalsContact ND1-CD2 3.25Å; H191-Y198 WeakPolarHBondContact ND1-CD2 3.48Å; H191-Y198 AromaticContact ND1-CE2 3.42Å; H191-Y198 WeakPolarHBondContact ND1-CE2 3.46Å
192W94.8Very high92.8Very high144 Ų144106.7 Ų106.755%0.54553%0.526SS..G310 helixtrans-60.6-29-176.774.4-92.9000113.7H166 V188 P189 R190H166-W192 HydrophobicContact CB-CH2 4.15Å; H166-W192 HydrophobicContact CB-CZ2 4.23Å; H166-W192 AromaticContact CD2-CH2 3.79Å; H166-W192 AromaticContact CD2-CZ2 3.44Å; H166-W192 VanDerWaalsContact CD2-CZ2 3.44Å; H166-W192 WeakPolarHBondContact CD2-CZ2 3.39Å; H166-W192 AromaticContact CE1-CH2 3.47Å; H166-W192 VanDerWaalsContact CE1-CH2 3.47Å; H166-W192 WeakPolarHBondContact CE1-CH2 3.43Å; H166-W192 AromaticContact CE1-CZ2 3.8Å; H166-W192 AromaticContact CG-CH2 3.65Å; H166-W192 AromaticContact CG-CZ2 3.73Å; H166-W192 AromaticContact ND1-CH2 3.51Å; H166-W192 AromaticContact ND1-CZ2 4Å; H166-W192 AromaticContact NE2-CH2 3.66Å; H166-W192 AromaticContact NE2-CZ2 3.46Å; H166-W192 WeakPolarHBondContact NE2-CZ2 3.33Å; V188-W192 HydrophobicContact CG1-CG 4.38Å; P189-W192 VanDerWaalsContact O-CD1 3.3Å; P189-W192 PolarHBondContact O-N 2.94Å; R190-W192 PolarHBondContact O-N 3.01Å
193C92.7Very high92.1Very high61 Ų61116 Ų11641%0.41255%0.553SS.*G310 helixtrans-960.7179.963.90000113.2H191H191-C193 PolarHBondContact O-N 3.47Å
194F93.8Very high91.7Very high123 Ų123111.1 Ų111.154%0.53955%0.554SS.*  trans-83.5143.3-178.5-63.1-10.9000111.4H191 R196H191-F194 HydrophobicContact CB-CD2 3.98Å; H191-F194 HydrophobicContact CB-CE2 4.42Å; H191-F194 WeakPolarHBondContact O-CB 3.38Å; H191-F194 PolarHBondContact O-N 3.05Å; H191-F194 VanDerWaalsContact O-N 3.09Å; F194-R196 VanDerWaalsContact C-N 3.28Å
195K93.6Very high91.2Very high223 Ų223110.9 Ų110.997%0.9755%0.546SS*.SBendtrans-75.4-19.2174.5-64.9-178.5-178177.10112.8
196R91.8Very high90.8Very high192 Ų192116.9 Ų116.973%0.72557%0.57SS**SBendtrans-87.2151-179.6-62.7-177.9-175.5134.7-0.6110F194F194-R196 VanDerWaalsContact C-N 3.28Å
197K92.7Very high90.6Very high180 Ų180122.1 Ų122.178%0.78359%0.587SS**  trans-65.4146.7168.5-62.2-176.7179.4-178.60109L199 A200K197-L199 VanDerWaalsContact C-N 3.26Å; K197-L199 PolarHBondContact O-N 3.06Å; K197-A200 HydrophobicContact CB-CB 4.18Å; K197-A200 WeakPolarHBondContact O-CB 3.5Å; K197-A200 PolarHBondContact O-N 3.47Å
198Y92.6Very high90.4Very high75 Ų75122.8 Ų122.829%0.29459%0.591SS.*THydrogen-bonded Turntrans-44.2-38.5-168174.3-124.7000116.7H191 Y279H191-Y198 HydrophobicContact CB-CD2 3.74Å; H191-Y198 HydrophobicContact CB-CE2 4.38Å; H191-Y198 AromaticContact CD2-CD2 3.89Å; H191-Y198 AromaticContact CE1-CD2 3.72Å; H191-Y198 AromaticContact CE1-CE2 3.95Å; H191-Y198 AromaticContact CG-CD2 3.36Å; H191-Y198 AromaticContact CG-CE2 3.98Å; H191-Y198 AromaticContact ND1-CD2 3.25Å; H191-Y198 VanDerWaalsContact ND1-CD2 3.25Å; H191-Y198 WeakPolarHBondContact ND1-CD2 3.48Å; H191-Y198 AromaticContact ND1-CE2 3.42Å; H191-Y198 WeakPolarHBondContact ND1-CE2 3.46Å; Y198-Y279 HydrophobicContact CE1-CD1 4.37Å; Y198-Y279 VanDerWaalsContact OH-C 3.3Å; Y198-Y279 WeakPolarHBondContact OH-CD1 3.3Å; Y198-Y279 PolarHBondContact OH-O 3.11Å
199L91.7Very high90.3Very high85 Ų85123.4 Ų123.445%0.44560%0.598SS.*THydrogen-bonded Turntrans-115.815.6-178.1-66.7178.6000113.9K197 G201 K202 Y279K197-L199 VanDerWaalsContact C-N 3.26Å; K197-L199 PolarHBondContact O-N 3.06Å; L199-G201 VanDerWaalsContact C-N 3.31Å; L199-G201 PolarHBondContact O-N 2.89Å; L199-K202 HydrophobicContact CD2-CD 4.35Å; L199-K202 PolarHBondContact O-N 3.28Å; L199-Y279 HydrophobicContact CD2-CE1 4.14Å
200A90.7Very high90.3Very high52 Ų52129.2 Ų129.243%0.4362%0.618SS.*G310 helixtrans-74.8-20.2-173.400000113.7K197 K202 R203K197-A200 HydrophobicContact CB-CB 4.18Å; K197-A200 WeakPolarHBondContact O-CB 3.5Å; K197-A200 PolarHBondContact O-N 3.47Å; A200-K202 VanDerWaalsContact C-N 3.26Å; A200-K202 PolarHBondContact O-N 3.13Å; A200-R203 PolarHBondContact O-N 3.03Å
201G86.7Confident90.4Very high29 Ų29126.5 Ų126.530%0.29961%0.614SS.*G310 helixtrans-71.1-20.4175.800000113.2L199 R203 F205 E281L199-G201 VanDerWaalsContact C-N 3.31Å; L199-G201 PolarHBondContact O-N 2.89Å; G201-R203 PolarHBondContact O-N 2.86Å; G201-F205 WeakPolarHBondContact O-CE2 3.31Å; G201-E281 WeakPolarHBondContact CA-OE1 3.47Å; G201-E281 PolarHBondContact N-OE1 3.49Å
202K87.5Confident90.4Very high62 Ų62125.3 Ų125.327%0.2761%0.61SS.*G310 helixtrans-69.2-7.1173.7-65.7-162.8168-163.90115L199 A200 G204 F205 Y279 E281 E284L199-K202 HydrophobicContact CD2-CD 4.35Å; L199-K202 PolarHBondContact O-N 3.28Å; A200-K202 VanDerWaalsContact C-N 3.26Å; A200-K202 PolarHBondContact O-N 3.13Å; K202-G204 PolarHBondContact O-N 2.93Å; K202-F205 PolarHBondContact O-N 3.4Å; K202-F205 VanDerWaalsContact O-N 3.07Å; K202-Y279 WeakPolarHBondContact CE-OH 3.4Å; K202-Y279 PolarHBondContact NZ-OH 3.21Å; K202-E281 HydrophobicContact CG-CG 4.17Å; K202-E281 PolarHBondContact N-OE1 2.99Å; K202-E284 WeakPolarHBondContact CE-OE1 3.35Å; K202-E284 IonicContact NZ-OE1 2.9Å; K202-E284 PolarHBondContact NZ-OE1 3.45Å; K202-E284 IonicContact NZ-OE2 3.54Å; K202-E284 PolarHBondContact NZ-OE2 3.07Å
203R80.2Confident90.3Very high235 Ų235120.8 Ų120.889%0.88760%0.599SS**THydrogen-bonded Turntrans-68.3105.5178-173.1176.6178.7167.60.2109.5A200 G201A200-R203 PolarHBondContact O-N 3.03Å; G201-R203 PolarHBondContact O-N 2.86Å
204G84.7Confident90.3Very high80 Ų80121.6 Ų121.683%0.82560%0.596SS**THydrogen-bonded Turntrans120-12.5-176.600000113.5K202K202-G204 PolarHBondContact O-N 2.93Å
205F83.3Confident90.4Very high136 Ų136116.4 Ų116.460%0.59657%0.574SS**  trans-91.1119.1171.3-65.8-88.6000109.2G201 K202 K207 F285G201-F205 WeakPolarHBondContact O-CE2 3.31Å; K202-F205 PolarHBondContact O-N 3.4Å; K202-F205 VanDerWaalsContact O-N 3.07Å; F205-K207 PolarHBondContact O-N 3.49Å; F205-F285 HydrophobicContact CD1-CZ 4.26Å
206E86.5Confident90.4Very high192 Ų192107.6 Ų107.690%0.89754%0.537SS*.  trans-81.1110.1172.5-169.9165.8-16500108.7
207K89.4Confident90.5Very high180 Ų180101.8 Ų101.878%0.78352%0.515SS*.PPolyproline II helixtrans-79.8133.2174.4-172.1-169.7172.1-174.90107.8F205F205-K207 PolarHBondContact O-N 3.49Å
208P90.6Very high90.5Very high99 Ų99100.5 Ų100.564%0.64351%0.505SS*.PPolyproline II helixtrans-57.8153.5171.325.9-34.5000110.7
209P93.2Very high90.6Very high123 Ų12397.2 Ų97.280%0.79949%0.493SS*.PPolyproline II helixtrans-60.7172.1173.527.5-34.4000111.2E211P209-E211 PolarHBondContact O-N 3.45Å
210F94.5Very high90.6Very high172 Ų17294 Ų9475%0.75448%0.48SS*.PPolyproline II helixtrans-67.3122.3-178.1-176.4-113000111.2L212F210-L212 HydrophobicContact CD1-CD2 4.07Å; F210-L212 HydrophobicContact CE1-CD2 3.89Å
211E92.7Very high90.7Very high144 Ų14492.8 Ų92.867%0.67347%0.466SS*.PPolyproline II helixtrans-83.3118.5171.8-174.3179.6175.300109.5P209 R217P209-E211 PolarHBondContact O-N 3.45Å; E211-R217 IonicContact OE1-CZ 2.72Å; E211-R217 IonicContact OE1-NH1 2.69Å; E211-R217 IonicContact OE1-NH2 2.61Å; E211-R217 PolarHBondContact OE1-NH2 3.22Å
212L94Very high91Very high45 Ų4595.1 Ų95.124%0.23647%0.47CS..PPolyproline II helixtrans-67.5140.6176.3-70.8171.7000110.5F210 I216 R217 I221 M222F210-L212 HydrophobicContact CD1-CD2 4.07Å; F210-L212 HydrophobicContact CE1-CD2 3.89Å; L212-I216 HydrophobicContact CD1-CG2 4.46Å; L212-I216 HydrophobicContact CD2-CG2 4.3Å; L212-R217 PolarHBondContact O-NH2 2.77Å; L212-I221 HydrophobicContact CD1-CG2 4.41Å; L212-M222 HydrophobicContact CD1-CB 4.14Å; L212-M222 HydrophobicContact CD1-CG 4.44Å
213P94.3Very high91.3Very high48 Ų4898.8 Ų98.831%0.31249%0.488SS..PPolyproline II helixtrans-53.8146169.6-23.933000111.5F215 I216 R217P213-F215 VanDerWaalsContact C-N 3.33Å; P213-F215 HydrophobicContact CB-CD1 3.92Å; P213-F215 HydrophobicContact CB-CE1 3.37Å; P213-F215 HydrophobicContact CB-CE2 4.45Å; P213-F215 HydrophobicContact CB-CZ 3.65Å; P213-F215 HydrophobicContact CG-CE1 4.31Å; P213-F215 HydrophobicContact CG-CZ 4.19Å; P213-F215 PolarHBondContact O-N 2.95Å; P213-I216 HydrophobicContact CG-CD1 4.29Å; P213-I216 PolarHBondContact O-N 2.98Å; P213-R217 PolarHBondContact O-N 3.41Å
214E92.9Very high91.8Very high78 Ų7890.2 Ų90.236%0.36446%0.459SS..Hα-helixtrans-56.5-42.6-171.5-178.855-150.700113.1I216 R217 R218E214-I216 VanDerWaalsContact C-N 3.31Å; E214-I216 PolarHBondContact O-N 3.23Å; E214-R217 WeakPolarHBondContact O-CB 3.46Å; E214-R217 PolarHBondContact O-N 3.09Å; E214-R217 VanDerWaalsContact O-N 3.17Å; E214-R217 IonicContact OE2-CZ 3.76Å; E214-R217 IonicContact OE2-NE 2.87Å; E214-R217 IonicContact OE2-NH1 3.65Å; E214-R217 PolarHBondContact OE2-NH1 3.45Å; E214-R218 VanDerWaalsContact CG-NH2 3.31Å; E214-R218 WeakPolarHBondContact O-CG 3.44Å; E214-R218 PolarHBondContact O-N 2.64Å; E214-R218 IonicContact OE1-CZ 3.77Å; E214-R218 IonicContact OE1-NE 2.66Å; E214-R218 PolarHBondContact OE1-NE 3.04Å; E214-R218 IonicContact OE1-NH2 3.31Å
215F94.2Very high92.3Very high15 Ų1593.6 Ų93.67%0.06645%0.446CS..Hα-helixtrans-64.8-30.8177.759.3-88.8000113.5P213 A262 W266 T268P213-F215 VanDerWaalsContact C-N 3.33Å; P213-F215 HydrophobicContact CB-CD1 3.92Å; P213-F215 HydrophobicContact CB-CE1 3.37Å; P213-F215 HydrophobicContact CB-CE2 4.45Å; P213-F215 HydrophobicContact CB-CZ 3.65Å; P213-F215 HydrophobicContact CG-CE1 4.31Å; P213-F215 HydrophobicContact CG-CZ 4.19Å; P213-F215 PolarHBondContact O-N 2.95Å; F215-A262 WeakPolarHBondContact CD2-O 3.29Å; F215-W266 HydrophobicContact CB-CB 4.19Å; F215-W266 WeakPolarHBondContact CB-O 3.45Å; F215-T268 VanDerWaalsContact CD1-OG1 3.27Å; F215-T268 WeakPolarHBondContact CD1-OG1 3.42Å; F215-T268 WeakPolarHBondContact CE1-OG1 3.33Å
216I94.5Very high92.7Very high38 Ų3892 Ų9220%0.19544%0.441CS..Hα-helixtrans-77.3-39.5173.3-58.6-175.8000110.1L212 P213 E214 R218 T219 I221 F263L212-I216 HydrophobicContact CD1-CG2 4.46Å; L212-I216 HydrophobicContact CD2-CG2 4.3Å; P213-I216 HydrophobicContact CG-CD1 4.29Å; P213-I216 PolarHBondContact O-N 2.98Å; E214-I216 VanDerWaalsContact C-N 3.31Å; E214-I216 PolarHBondContact O-N 3.23Å; I216-R218 VanDerWaalsContact C-N 3.3Å; I216-R218 PolarHBondContact O-N 3.5Å; I216-T219 WeakPolarHBondContact O-CB 3.27Å; I216-T219 WeakPolarHBondContact O-CG2 3.45Å; I216-T219 PolarHBondContact O-N 3.45Å; I216-T219 VanDerWaalsContact O-N 3.13Å; I216-T219 PolarHBondContact O-OG1 3.34Å; I216-I221 HydrophobicContact CG2-CG2 4.17Å; I216-F263 HydrophobicContact CD1-CE1 4.34Å; I216-F263 HydrophobicContact CD1-CZ 4.24Å
217R93.4Very high93.1Very high70 Ų7084.9 Ų84.926%0.26441%0.412SS..Hα-helixtrans-59.2-41.8178.5-168.6-174.2-56.7157-5.6111.6E211 L212 P213 E214 T219 G220 M222E211-R217 IonicContact OE1-CZ 2.72Å; E211-R217 IonicContact OE1-NH1 2.69Å; E211-R217 IonicContact OE1-NH2 2.61Å; E211-R217 PolarHBondContact OE1-NH2 3.22Å; L212-R217 PolarHBondContact O-NH2 2.77Å; P213-R217 PolarHBondContact O-N 3.41Å; E214-R217 WeakPolarHBondContact O-CB 3.46Å; E214-R217 PolarHBondContact O-N 3.09Å; E214-R217 VanDerWaalsContact O-N 3.17Å; E214-R217 IonicContact OE2-CZ 3.76Å; E214-R217 IonicContact OE2-NE 2.87Å; E214-R217 IonicContact OE2-NH1 3.65Å; E214-R217 PolarHBondContact OE2-NH1 3.45Å; R217-T219 PolarHBondContact O-N 3.22Å; R217-T219 VanDerWaalsContact O-N 3.13Å; R217-G220 PolarHBondContact O-N 2.81Å; R217-M222 HydrophobicContact CG-CE 4.07Å; R217-M222 HydrophobicContact CG-SD 4.46Å
218R93.4Very high93.2Very high153 Ų15378 Ų7858%0.57738%0.384SS*.THydrogen-bonded Turntrans-61.3-17176.6-70.5176.3-161.7165-1.2115E214 I216 G220E214-R218 VanDerWaalsContact CG-NH2 3.31Å; E214-R218 WeakPolarHBondContact O-CG 3.44Å; E214-R218 PolarHBondContact O-N 2.64Å; E214-R218 IonicContact OE1-CZ 3.77Å; E214-R218 IonicContact OE1-NE 2.66Å; E214-R218 PolarHBondContact OE1-NE 3.04Å; E214-R218 IonicContact OE1-NH2 3.31Å; I216-R218 VanDerWaalsContact C-N 3.3Å; I216-R218 PolarHBondContact O-N 3.5Å; R218-G220 PolarHBondContact O-N 3.5Å
219T94Very high93.3Very high6 Ų678.9 Ų78.94%0.03738%0.38CS..THydrogen-bonded Turntrans-67.1-15.7172.467.90000112.6I216 R217 I221 L259 A262I216-T219 WeakPolarHBondContact O-CB 3.27Å; I216-T219 WeakPolarHBondContact O-CG2 3.45Å; I216-T219 PolarHBondContact O-N 3.45Å; I216-T219 VanDerWaalsContact O-N 3.13Å; I216-T219 PolarHBondContact O-OG1 3.34Å; R217-T219 PolarHBondContact O-N 3.22Å; R217-T219 VanDerWaalsContact O-N 3.13Å; T219-I221 PolarHBondContact O-N 3.32Å; T219-I221 WeakPolarHBondContact OG1-CB 3.33Å; T219-I221 VanDerWaalsContact OG1-CG2 3.27Å; T219-I221 WeakPolarHBondContact OG1-CG2 3.42Å; T219-I221 PolarHBondContact OG1-N 2.83Å; T219-L259 HydrophobicContact CG2-CD2 3.96Å; T219-A262 HydrophobicContact CG2-CB 3.57Å
220G92.8Very high93.3Very high16 Ų1677.6 Ų77.617%0.16536%0.363CS..THydrogen-bonded Turntrans79.52-176.100000113.7R217 R218 M222 E223 M224R217-G220 PolarHBondContact O-N 2.81Å; R218-G220 PolarHBondContact O-N 3.5Å; G220-M222 PolarHBondContact O-N 3.48Å; G220-E223 PolarHBondContact O-N 3.46Å; G220-M224 VanDerWaalsContact O-CE 3.24Å; G220-M224 WeakPolarHBondContact O-CE 3.03Å; G220-M224 PolarHBondContact O-N 3.47Å; G220-M224 VanDerWaalsContact O-N 3.1Å
221I92.2Very high93.2Very high27 Ų2774.9 Ų74.914%0.13835%0.351CS..Hα-helixtrans-59-31.9-177.6-171.363.8000113.1L212 I216 T219 R225 I252 I254L212-I221 HydrophobicContact CD1-CG2 4.41Å; I216-I221 HydrophobicContact CG2-CG2 4.17Å; T219-I221 PolarHBondContact O-N 3.32Å; T219-I221 WeakPolarHBondContact OG1-CB 3.33Å; T219-I221 VanDerWaalsContact OG1-CG2 3.27Å; T219-I221 WeakPolarHBondContact OG1-CG2 3.42Å; T219-I221 PolarHBondContact OG1-N 2.83Å; I221-R225 HydrophobicContact CD1-CG 3.94Å; I221-R225 HydrophobicContact CG1-CG 4.2Å; I221-R225 VanDerWaalsContact O-CB 3.31Å; I221-R225 WeakPolarHBondContact O-CB 3.42Å; I221-R225 WeakPolarHBondContact O-CG 3.25Å; I221-R225 PolarHBondContact O-N 3.15Å; I221-I252 HydrophobicContact CD1-CG2 4.18Å; I221-I254 HydrophobicContact CB-CD1 4.16Å; I221-I254 HydrophobicContact CD1-CD1 3.36Å; I221-I254 HydrophobicContact CG1-CD1 4.31Å
222M92.8Very high93.2Very high79 Ų7973.3 Ų73.339%0.38934%0.343SS..Hα-helixtrans-63.4-52179.8-171.3175.172.400110.9L212 R217 G220 Q226L212-M222 HydrophobicContact CD1-CB 4.14Å; L212-M222 HydrophobicContact CD1-CG 4.44Å; R217-M222 HydrophobicContact CG-CE 4.07Å; R217-M222 HydrophobicContact CG-SD 4.46Å; G220-M222 PolarHBondContact O-N 3.48Å; M222-Q226 VanDerWaalsContact O-CB 3.27Å; M222-Q226 WeakPolarHBondContact O-CB 3.49Å; M222-Q226 PolarHBondContact O-N 3.45Å
223E93.4Very high93.2Very high138 Ų13877.5 Ų77.565%0.64536%0.362SS*.Hα-helixtrans-66.6-44.1-179.6-63.7170.8-173.400111.5G220 R225 Q226 S227G220-E223 PolarHBondContact O-N 3.46Å; E223-R225 PolarHBondContact O-N 3Å; E223-Q226 PolarHBondContact O-N 3.47Å; E223-S227 WeakPolarHBondContact O-CB 3.44Å; E223-S227 PolarHBondContact O-N 2.99Å
224M91.8Very high93.2Very high56 Ų5683 Ų8328%0.27638%0.383SS..Hα-helixtrans-61-46.2177.8-76.6-177.5-84.600112.1G220 S227 L228 I252 I254G220-M224 VanDerWaalsContact O-CE 3.24Å; G220-M224 WeakPolarHBondContact O-CE 3.03Å; G220-M224 PolarHBondContact O-N 3.47Å; G220-M224 VanDerWaalsContact O-N 3.1Å; M224-S227 PolarHBondContact O-OG 3.4Å; M224-L228 WeakPolarHBondContact O-CG 3.04Å; M224-L228 PolarHBondContact O-N 2.92Å; M224-I252 HydrophobicContact SD-CG2 4.49Å; M224-I254 HydrophobicContact CE-CD1 3.25Å; M224-I254 HydrophobicContact CE-CG1 3.42Å; M224-I254 VanDerWaalsContact CE-CG1 3.42Å; M224-I254 HydrophobicContact SD-CD1 4Å; M224-I254 HydrophobicContact SD-CG1 3.71Å
225R93.6Very high93.1Very high150 Ų15081.6 Ų81.657%0.56638%0.376SS*.Hα-helixtrans-68.7-39.6178-75.2-174.8-178.7-79.8-4.4112.4I221 E223 L228 Q229 I252I221-R225 HydrophobicContact CD1-CG 3.94Å; I221-R225 HydrophobicContact CG1-CG 4.2Å; I221-R225 VanDerWaalsContact O-CB 3.31Å; I221-R225 WeakPolarHBondContact O-CB 3.42Å; I221-R225 WeakPolarHBondContact O-CG 3.25Å; I221-R225 PolarHBondContact O-N 3.15Å; E223-R225 PolarHBondContact O-N 3Å; R225-L228 PolarHBondContact O-N 3.05Å; R225-Q229 PolarHBondContact O-N 2.94Å; R225-I252 HydrophobicContact CG-CD1 3.87Å
226Q93.5Very high93.1Very high104 Ų10484.2 Ų84.249%0.48640%0.396SS..Hα-helixtrans-60.5-47.7176.3-177.2175.3-800110.9M222 E223 L228 Q229 E230M222-Q226 VanDerWaalsContact O-CB 3.27Å; M222-Q226 WeakPolarHBondContact O-CB 3.49Å; M222-Q226 PolarHBondContact O-N 3.45Å; E223-Q226 PolarHBondContact O-N 3.47Å; Q226-L228 PolarHBondContact O-N 3.1Å; Q226-Q229 PolarHBondContact O-N 2.91Å; Q226-Q229 VanDerWaalsContact O-N 3.11Å; Q226-E230 WeakPolarHBondContact CG-OE1 3.45Å; Q226-E230 PolarHBondContact NE2-OE1 3.49Å; Q226-E230 VanDerWaalsContact NE2-OE1 3.13Å; Q226-E230 WeakPolarHBondContact O-CG 3.37Å; Q226-E230 PolarHBondContact O-N 3.31Å
227S93Very high92.9Very high42 Ų4289.4 Ų89.429%0.29442%0.423SS..Hα-helixtrans-60.9-30.9177.579.30000113.3E223 M224 K231E223-S227 WeakPolarHBondContact O-CB 3.44Å; E223-S227 PolarHBondContact O-N 2.99Å; M224-S227 PolarHBondContact O-OG 3.4Å; S227-K231 WeakPolarHBondContact O-CB 3.44Å; S227-K231 WeakPolarHBondContact O-CD 3.11Å; S227-K231 WeakPolarHBondContact O-CG 3.13Å; S227-K231 PolarHBondContact O-N 3.21Å
228L91.7Very high93Very high35 Ų3594.4 Ų94.418%0.18345%0.447CS..Hα-helixtrans-76.9-36.7176-78.3175.8000113.1M224 R225 Q226 K231 E232 K251 I252M224-L228 WeakPolarHBondContact O-CG 3.04Å; M224-L228 PolarHBondContact O-N 2.92Å; R225-L228 PolarHBondContact O-N 3.05Å; Q226-L228 PolarHBondContact O-N 3.1Å; L228-K231 PolarHBondContact O-N 3.24Å; L228-E232 VanDerWaalsContact O-CB 3.3Å; L228-E232 WeakPolarHBondContact O-CB 3.16Å; L228-E232 PolarHBondContact O-N 3.08Å; L228-K251 HydrophobicContact CD1-CB 3.97Å; L228-K251 HydrophobicContact CD2-CB 3.87Å; L228-K251 HydrophobicContact CD2-CD 4.33Å; L228-K251 HydrophobicContact CD2-CG 4.32Å; L228-I252 HydrophobicContact CD1-CB 4.44Å; L228-I252 HydrophobicContact CD1-CD1 3.58Å; L228-I252 HydrophobicContact CD1-CG1 3.07Å; L228-I252 HydrophobicContact CG-CG1 4.47Å
229Q93.1Very high92.8Very high118 Ų11889.9 Ų89.955%0.55144%0.436SS*.Hα-helixtrans-64.4-45.9174.5-174.7175.5-14.200110.1R225 Q226 K231 E232 E233R225-Q229 PolarHBondContact O-N 2.94Å; Q226-Q229 PolarHBondContact O-N 2.91Å; Q226-Q229 VanDerWaalsContact O-N 3.11Å; Q229-K231 PolarHBondContact O-N 3.23Å; Q229-E232 CarbonylContact O-C 3.54Å; Q229-E232 PolarHBondContact O-N 3.2Å; Q229-E233 WeakPolarHBondContact CG-OE1 3.46Å; Q229-E233 PolarHBondContact NE2-OE1 3.14Å; Q229-E233 WeakPolarHBondContact O-CG 3.45Å; Q229-E233 PolarHBondContact O-N 2.95Å
230E94.4Very high92.8Very high96 Ų9693.4 Ų93.445%0.44945%0.451SS..Hα-helixtrans-58-48.9174.2-70.3169.7-172.900111Q226 E232 E233 E234Q226-E230 WeakPolarHBondContact CG-OE1 3.45Å; Q226-E230 PolarHBondContact NE2-OE1 3.49Å; Q226-E230 VanDerWaalsContact NE2-OE1 3.13Å; Q226-E230 WeakPolarHBondContact O-CG 3.37Å; Q226-E230 PolarHBondContact O-N 3.31Å; E230-E232 PolarHBondContact O-N 2.86Å; E230-E233 PolarHBondContact O-N 3.01Å; E230-E234 WeakPolarHBondContact O-CG 3.49Å; E230-E234 PolarHBondContact O-N 3.47Å
231K92.5Very high92.7Very high115 Ų11597.4 Ų97.450%0.547%0.467SS..Hα-helixtrans-61.3-27.3173.9-76.2170.3-176.7165.90113.5S227 L228 Q229 K235S227-K231 WeakPolarHBondContact O-CB 3.44Å; S227-K231 WeakPolarHBondContact O-CD 3.11Å; S227-K231 WeakPolarHBondContact O-CG 3.13Å; S227-K231 PolarHBondContact O-N 3.21Å; L228-K231 PolarHBondContact O-N 3.24Å; Q229-K231 PolarHBondContact O-N 3.23Å; K231-K235 WeakPolarHBondContact O-CD 3.4Å; K231-K235 VanDerWaalsContact O-CE 3.27Å; K231-K235 WeakPolarHBondContact O-CE 3.17Å; K231-K235 WeakPolarHBondContact O-CG 3.41Å
232E91.1Very high92.8Very high110 Ų110105.2 Ų105.251%0.51450%0.495SS..Hα-helixtrans-83.7-31.3177.8-172167.1-174.300112.3L228 Q229 E230 K235 K240L228-E232 VanDerWaalsContact O-CB 3.3Å; L228-E232 WeakPolarHBondContact O-CB 3.16Å; L228-E232 PolarHBondContact O-N 3.08Å; Q229-E232 CarbonylContact O-C 3.54Å; Q229-E232 PolarHBondContact O-N 3.2Å; E230-E232 PolarHBondContact O-N 2.86Å; E232-K235 PolarHBondContact O-N 2.92Å; E232-K240 WeakPolarHBondContact O-CE 3.4Å; E232-K240 PolarHBondContact O-NZ 2.93Å
233E94.3Very high92.7Very high133 Ų133103.1 Ų103.162%0.62148%0.484SS*.Hα-helixtrans-69-37.7173.6-72.9176.3-168.300111.5Q229 E230 K235Q229-E233 WeakPolarHBondContact CG-OE1 3.46Å; Q229-E233 PolarHBondContact NE2-OE1 3.14Å; Q229-E233 WeakPolarHBondContact O-CG 3.45Å; Q229-E233 PolarHBondContact O-N 2.95Å; E230-E233 PolarHBondContact O-N 3.01Å; E233-K235 VanDerWaalsContact C-N 3.3Å; E233-K235 PolarHBondContact O-N 3.36Å
234E94.1Very high92.6Very high165 Ų165105.7 Ų105.777%0.77149%0.488SS*.SBendtrans-69.6-22.6175-70.4178.5173.300114E230 S236E230-E234 WeakPolarHBondContact O-CG 3.49Å; E230-E234 PolarHBondContact O-N 3.47Å; E234-S236 PolarHBondContact O-N 2.94Å
235K91.9Very high92.7Very high47 Ų47108.9 Ų108.920%0.20450%0.504CS..SBendtrans-71.6121.9-176.7-80.7168.7-164.4-177.40111.9K231 E232 E233 T239 K240 E243K231-K235 WeakPolarHBondContact O-CD 3.4Å; K231-K235 VanDerWaalsContact O-CE 3.27Å; K231-K235 WeakPolarHBondContact O-CE 3.17Å; K231-K235 WeakPolarHBondContact O-CG 3.41Å; E232-K235 PolarHBondContact O-N 2.92Å; E233-K235 VanDerWaalsContact C-N 3.3Å; E233-K235 PolarHBondContact O-N 3.36Å; K235-T239 HydrophobicContact CB-CG2 4.44Å; K235-T239 HydrophobicContact CD-CG2 4.31Å; K235-T239 HydrophobicContact CG-CG2 4.01Å; K235-K240 HydrophobicContact CB-CG 4.04Å; K235-K240 VanDerWaalsContact O-CE 3.27Å; K235-K240 WeakPolarHBondContact O-CE 3.35Å; K235-E243 WeakPolarHBondContact CE-OE1 3.24Å; K235-E243 IonicContact NZ-OE1 2.87Å; K235-E243 PolarHBondContact NZ-OE1 3.06Å; K235-E243 IonicContact NZ-OE2 2.98Å; K235-E243 PolarHBondContact NZ-OE2 3.35Å
236S92.8Very high92.5Very high70 Ų70111.4 Ų111.449%0.4951%0.514SS..  trans-54.1149.1166.8-1800000112.3E234 K238 T239 K240E234-S236 PolarHBondContact O-N 2.94Å; S236-K238 PolarHBondContact O-N 3.32Å; S236-K238 VanDerWaalsContact O-N 3.12Å; S236-T239 WeakPolarHBondContact O-CA 3.46Å; S236-T239 WeakPolarHBondContact O-CB 3.39Å; S236-T239 PolarHBondContact O-N 3.48Å; S236-K240 PolarHBondContact O-N 3.13Å
237L91.8Very high92.4Very high147 Ų147110.4 Ų110.477%0.7752%0.516SS*.Hα-helixtrans-51.7-36.1175.1-163.497.6000112.4K240 M241L237-K240 PolarHBondContact O-N 3.25Å; L237-M241 PolarHBondContact O-N 3.42Å
238K94.2Very high92.1Very high176 Ų176115.6 Ų115.677%0.76553%0.534SS*.Hα-helixtrans-63.1-41.6175.3-71.8-175.6178177.40111.9S236 M241 R242S236-K238 PolarHBondContact O-N 3.32Å; S236-K238 VanDerWaalsContact O-N 3.12Å; K238-M241 PolarHBondContact O-N 3.12Å; K238-R242 PolarHBondContact O-N 3.49Å
239T91Very high91.9Very high57 Ų57121.9 Ų121.935%0.3556%0.564SS.*Hα-helixtrans-67.9-42.3177.1-51.50000110.6K235 S236 M241 R242 E243K235-T239 HydrophobicContact CB-CG2 4.44Å; K235-T239 HydrophobicContact CD-CG2 4.31Å; K235-T239 HydrophobicContact CG-CG2 4.01Å; S236-T239 WeakPolarHBondContact O-CA 3.46Å; S236-T239 WeakPolarHBondContact O-CB 3.39Å; S236-T239 PolarHBondContact O-N 3.48Å; T239-M241 VanDerWaalsContact C-N 3.35Å; T239-M241 PolarHBondContact O-N 3.45Å; T239-R242 PolarHBondContact O-N 2.7Å; T239-E243 PolarHBondContact O-N 3.49Å
240K92.6Very high91.5Very high80 Ų80119.2 Ų119.235%0.34857%0.568SS.*Hα-helixtrans-59.2-42.6174.3-66.2-174.2177.6-1770112.1E232 K235 S236 L237 R244E232-K240 WeakPolarHBondContact O-CE 3.4Å; E232-K240 PolarHBondContact O-NZ 2.93Å; K235-K240 HydrophobicContact CB-CG 4.04Å; K235-K240 VanDerWaalsContact O-CE 3.27Å; K235-K240 WeakPolarHBondContact O-CE 3.35Å; S236-K240 PolarHBondContact O-N 3.13Å; L237-K240 PolarHBondContact O-N 3.25Å; K240-R244 PolarHBondContact O-N 3.26Å; K240-R244 VanDerWaalsContact O-N 3.08Å
241M91.8Very high91Very high101 Ų101119.5 Ų119.550%0.49857%0.568SS.*Hα-helixtrans-67.4-36.5176.9-170.762.1-177.300112.5L237 K238 T239 R244L237-M241 PolarHBondContact O-N 3.42Å; K238-M241 PolarHBondContact O-N 3.12Å; T239-M241 VanDerWaalsContact C-N 3.35Å; T239-M241 PolarHBondContact O-N 3.45Å; M241-R244 PolarHBondContact O-N 2.61Å
242R93.1Very high90.7Very high190 Ų190116.8 Ų116.872%0.71756%0.559SS**Hα-helixtrans-67.1-46.1175.4-171.6-174.2-60.4-117.40.7111.9K238 T239 R244 I245 R246K238-R242 PolarHBondContact O-N 3.49Å; T239-R242 PolarHBondContact O-N 2.7Å; R242-R244 PolarHBondContact O-N 2.65Å; R242-I245 PolarHBondContact O-N 2.75Å; R242-I245 VanDerWaalsContact O-N 3.16Å; R242-R246 PolarHBondContact O-N 3.09Å
243E90.5Very high90.5Very high35 Ų35118 Ų11816%0.16457%0.568CS.*Hα-helixtrans-64-27.7177.2-76.3-169.7-169.900112.4K235 T239 I245 R246 P247 K251K235-E243 WeakPolarHBondContact CE-OE1 3.24Å; K235-E243 IonicContact NZ-OE1 2.87Å; K235-E243 PolarHBondContact NZ-OE1 3.06Å; K235-E243 IonicContact NZ-OE2 2.98Å; K235-E243 PolarHBondContact NZ-OE2 3.35Å; T239-E243 PolarHBondContact O-N 3.49Å; E243-I245 VanDerWaalsContact C-N 3.34Å; E243-R246 CarbonylContact O-C 3.51Å; E243-P247 WeakPolarHBondContact O-CA 3.39Å; E243-K251 IonicContact OE2-NZ 2.68Å; E243-K251 PolarHBondContact OE2-NZ 3.16Å
244R91.8Very high90.2Very high193 Ų193112.6 Ų112.673%0.72854%0.544SS*.Hα-helixtrans-64.8-37.7173.5-172.7-178.7-67.8165.8-2.6112.6K240 M241 R242K240-R244 PolarHBondContact O-N 3.26Å; K240-R244 VanDerWaalsContact O-N 3.08Å; M241-R244 PolarHBondContact O-N 2.61Å; R242-R244 PolarHBondContact O-N 2.65Å
245I93.2Very high90.1Very high122 Ų122109.5 Ų109.563%0.62653%0.533SS*.Hα-helixtrans-83-35.5179.3-59171.2000110.7R242 E243R242-I245 PolarHBondContact O-N 2.75Å; R242-I245 VanDerWaalsContact O-N 3.16Å; E243-I245 VanDerWaalsContact C-N 3.34Å
246R90Very high90.2Very high204 Ų204116.2 Ų116.277%0.7756%0.558SS**SBendtrans-128.380.8179.2-64.7-173.7-179.3-172.3-0.7110R242 E243R242-R246 PolarHBondContact O-N 3.09Å; E243-R246 CarbonylContact O-C 3.51Å
247P91.2Very high90.2Very high82 Ų82117.3 Ų117.353%0.53256%0.555SS.*  trans-69.9135.8-178.827.4-33.5000110.8E243 M249E243-P247 WeakPolarHBondContact O-CA 3.39Å; P247-M249 HydrophobicContact CB-SD 4.49Å; P247-M249 PolarHBondContact O-N 2.96Å
248K86.7Confident90.3Very high152 Ų152115.7 Ų115.766%0.66154%0.542SS*.  trans-81.5110.4164.2-65-175.6177.8-174.90107.6
249M87.5Confident90.3Very high166 Ų166110 Ų11082%0.81852%0.52SS*.SBendtrans-74.4162.1175.1-58.4-60.2-75.900110.3P247P247-M249 HydrophobicContact CB-SD 4.49Å; P247-M249 PolarHBondContact O-N 2.96Å
250G85Confident90.5Very high62 Ų62111.6 Ų111.664%0.63952%0.523SS*.  trans75.629.4177.500000115.1I252G250-I252 VanDerWaalsContact C-N 3.31Å; G250-I252 PolarHBondContact O-N 2.99Å
251K83.7Confident90.6Very high103 Ų103109.2 Ų109.245%0.44851%0.514SS..SBendtrans-66.1-33.5177.5-73-178.1179.1179.80112.9L228 E243L228-K251 HydrophobicContact CD1-CB 3.97Å; L228-K251 HydrophobicContact CD2-CB 3.87Å; L228-K251 HydrophobicContact CD2-CD 4.33Å; L228-K251 HydrophobicContact CD2-CG 4.32Å; E243-K251 IonicContact OE2-NZ 2.68Å; E243-K251 PolarHBondContact OE2-NZ 3.16Å
252I86.6Confident90.7Very high58 Ų58104.6 Ų104.630%0.29749%0.492SS..SBendtrans-126.1111.7173.9-55.8175.8000104.7I221 M224 R225 L228 G250 I254I221-I252 HydrophobicContact CD1-CG2 4.18Å; M224-I252 HydrophobicContact SD-CG2 4.49Å; R225-I252 HydrophobicContact CG-CD1 3.87Å; L228-I252 HydrophobicContact CD1-CB 4.44Å; L228-I252 HydrophobicContact CD1-CD1 3.58Å; L228-I252 HydrophobicContact CD1-CG1 3.07Å; L228-I252 HydrophobicContact CG-CG1 4.47Å; G250-I252 VanDerWaalsContact C-N 3.31Å; G250-I252 PolarHBondContact O-N 2.99Å; I252-I254 HydrophobicContact CG2-CD1 3.8Å; I252-I254 HydrophobicContact CG2-CG1 3.77Å
253D87.1Confident90.8Very high134 Ų134100.8 Ų100.872%0.71748%0.481SS*.  trans-122.9111.2172.5-164.59.2000107.4
254I86.9Confident90.9Very high20 Ų20106.4 Ų106.410%0.10351%0.505CS..  trans-124.8128.8-178.7-52.7-178.7000105.9I221 M224 I252 Y256 L259I221-I254 HydrophobicContact CB-CD1 4.16Å; I221-I254 HydrophobicContact CD1-CD1 3.36Å; I221-I254 HydrophobicContact CG1-CD1 4.31Å; M224-I254 HydrophobicContact CE-CD1 3.25Å; M224-I254 HydrophobicContact CE-CG1 3.42Å; M224-I254 VanDerWaalsContact CE-CG1 3.42Å; M224-I254 HydrophobicContact SD-CD1 4Å; M224-I254 HydrophobicContact SD-CG1 3.71Å; I252-I254 HydrophobicContact CG2-CD1 3.8Å; I252-I254 HydrophobicContact CG2-CG1 3.77Å; I254-Y256 PolarHBondContact O-N 3.41Å; I254-L259 HydrophobicContact CG2-CD1 4.4Å; I254-L259 HydrophobicContact CG2-CD2 4.06Å; I254-L259 HydrophobicContact CG2-CG 3.99Å
255D92.4Very high90.9Very high101 Ų101105.3 Ų105.354%0.5450%0.501SS..  trans-53.7124.9176.4-179.513.6000110.8Q257 K258 L259D255-Q257 PolarHBondContact O-N 2.98Å; D255-Q257 PolarHBondContact OD1-N 3.25Å; D255-Q257 VanDerWaalsContact OD1-N 3.07Å; D255-K258 HydrophobicContact CB-CB 4.2Å; D255-K258 WeakPolarHBondContact O-CB 3.49Å; D255-K258 PolarHBondContact O-N 3.08Å; D255-L259 PolarHBondContact O-N 2.91Å
256Y93.4Very high91Very high188 Ų188106.9 Ų106.974%0.73750%0.499SS*.Hα-helixtrans-60.3-33.8179.3-65.1-67.3000111.4I254 L259 H260I254-Y256 PolarHBondContact O-N 3.41Å; Y256-L259 PolarHBondContact O-N 2.98Å; Y256-H260 WeakPolarHBondContact O-CB 3.27Å; Y256-H260 PolarHBondContact O-N 2.88Å
257Q94.1Very high91.1Very high93 Ų93101.7 Ų101.744%0.43548%0.483SS..Hα-helixtrans-65.5-41.1178.4-171.859.525.600111.1D255 L259 H260 D261D255-Q257 PolarHBondContact O-N 2.98Å; D255-Q257 PolarHBondContact OD1-N 3.25Å; D255-Q257 VanDerWaalsContact OD1-N 3.07Å; Q257-L259 VanDerWaalsContact C-N 3.3Å; Q257-L259 PolarHBondContact O-N 3.46Å; Q257-H260 WeakPolarHBondContact O-CB 3.4Å; Q257-H260 PolarHBondContact O-N 3.34Å; Q257-D261 PolarHBondContact NE2-OD1 3.34Å; Q257-D261 VanDerWaalsContact NE2-OD1 3.15Å; Q257-D261 PolarHBondContact NE2-OD2 3.12Å; Q257-D261 PolarHBondContact O-N 3.38Å
258K93.5Very high91.2Very high113 Ų113101.6 Ų101.649%0.49148%0.481SS..Hα-helixtrans-60.9-39175.3-163.5177.2-152.9173.40112.5D255 A262D255-K258 HydrophobicContact CB-CB 4.2Å; D255-K258 WeakPolarHBondContact O-CB 3.49Å; D255-K258 PolarHBondContact O-N 3.08Å; K258-A262 WeakPolarHBondContact O-CB 3.36Å; K258-A262 PolarHBondContact O-N 3.34Å; K258-A262 VanDerWaalsContact O-N 3.11Å
259L94Very high91.5Very high56 Ų56103.3 Ų103.329%0.29349%0.489SS..Hα-helixtrans-68.7-43.6174.6-66.5179.1000111.2T219 I254 D255 Y256 Q257 A262 F263T219-L259 HydrophobicContact CG2-CD2 3.96Å; I254-L259 HydrophobicContact CG2-CD1 4.4Å; I254-L259 HydrophobicContact CG2-CD2 4.06Å; I254-L259 HydrophobicContact CG2-CG 3.99Å; D255-L259 PolarHBondContact O-N 2.91Å; Y256-L259 PolarHBondContact O-N 2.98Å; Q257-L259 VanDerWaalsContact C-N 3.3Å; Q257-L259 PolarHBondContact O-N 3.46Å; L259-A262 PolarHBondContact O-N 3.26Å; L259-F263 WeakPolarHBondContact O-CD2 3.4Å; L259-F263 PolarHBondContact O-N 2.82Å
260H95.4Very high91.8Very high90 Ų9099.5 Ų99.542%0.41748%0.476SS..Hα-helixtrans-56.8-52.9175.8-177.7-84.9000110.8Y256 Q257 A262 F263 F264Y256-H260 WeakPolarHBondContact O-CB 3.27Å; Y256-H260 PolarHBondContact O-N 2.88Å; Q257-H260 WeakPolarHBondContact O-CB 3.4Å; Q257-H260 PolarHBondContact O-N 3.34Å; H260-A262 VanDerWaalsContact C-N 3.28Å; H260-A262 PolarHBondContact O-N 3.22Å; H260-F263 PolarHBondContact O-N 3.1Å; H260-F263 VanDerWaalsContact O-N 3.11Å; H260-F264 AromaticContact CD2-CD2 3.58Å; H260-F264 AromaticContact CD2-CE2 3.7Å; H260-F264 AromaticContact CE1-CD2 3.74Å; H260-F264 AromaticContact CG-CD2 3.88Å; H260-F264 AromaticContact ND1-CD2 3.98Å; H260-F264 AromaticContact NE2-CD2 3.49Å; H260-F264 WeakPolarHBondContact NE2-CD2 3.22Å; H260-F264 AromaticContact NE2-CE2 3.75Å; H260-F264 VanDerWaalsContact O-CD2 3.27Å; H260-F264 WeakPolarHBondContact O-CD2 3.35Å; H260-F264 PolarHBondContact O-N 3.25Å
261D95.2Very high92Very high30 Ų30105.8 Ų105.816%0.1648%0.481CS..Hα-helixtrans-64-32.8-178.6-67-23.3000112.4Q257 F263 R265 W266Q257-D261 PolarHBondContact NE2-OD1 3.34Å; Q257-D261 VanDerWaalsContact NE2-OD1 3.15Å; Q257-D261 PolarHBondContact NE2-OD2 3.12Å; Q257-D261 PolarHBondContact O-N 3.38Å; D261-F263 VanDerWaalsContact C-N 3.34Å; D261-F263 PolarHBondContact O-N 3.19Å; D261-R265 HydrophobicContact CB-CB 4.41Å; D261-R265 HydrophobicContact CB-CG 4.2Å; D261-R265 WeakPolarHBondContact O-CA 3.42Å; D261-R265 WeakPolarHBondContact O-CB 3.43Å; D261-R265 PolarHBondContact O-N 3.39Å; D261-R265 WeakPolarHBondContact OD1-CD 3.39Å; D261-R265 IonicContact OD1-CZ 3.69Å; D261-R265 IonicContact OD1-NE 2.99Å; D261-R265 PolarHBondContact OD1-NE 3.29Å; D261-R265 IonicContact OD2-NE 2.76Å; D261-W266 VanDerWaalsContact O-CD1 3.27Å; D261-W266 PolarHBondContact O-N 3.39Å
262A94.3Very high92.3Very high5 Ų5107.2 Ų107.24%0.04149%0.491CS..Hα-helixtrans-63.1-36.3174.900000113.6F215 T219 K258 L259 H260F215-A262 WeakPolarHBondContact CD2-O 3.29Å; T219-A262 HydrophobicContact CG2-CB 3.57Å; K258-A262 WeakPolarHBondContact O-CB 3.36Å; K258-A262 PolarHBondContact O-N 3.34Å; K258-A262 VanDerWaalsContact O-N 3.11Å; L259-A262 PolarHBondContact O-N 3.26Å; H260-A262 VanDerWaalsContact C-N 3.28Å; H260-A262 PolarHBondContact O-N 3.22Å
263F94.1Very high92.5Very high109 Ų109108.4 Ų108.448%0.47850%0.501SS..Hα-helixtrans-90.9-23.5-179.1-79.7-80.1000114.1I216 L259 H260 D261 Q267I216-F263 HydrophobicContact CD1-CE1 4.34Å; I216-F263 HydrophobicContact CD1-CZ 4.24Å; L259-F263 WeakPolarHBondContact O-CD2 3.4Å; L259-F263 PolarHBondContact O-N 2.82Å; H260-F263 PolarHBondContact O-N 3.1Å; H260-F263 VanDerWaalsContact O-N 3.11Å; D261-F263 VanDerWaalsContact C-N 3.34Å; D261-F263 PolarHBondContact O-N 3.19Å; F263-Q267 WeakPolarHBondContact O-CB 3Å
264F92.9Very high92.7Very high153 Ų153109.7 Ų109.767%0.67151%0.505SS*.Hα-helixtrans-108.4-46.3-176.7-69.2-79.6000113.3H260H260-F264 AromaticContact CD2-CD2 3.58Å; H260-F264 AromaticContact CD2-CE2 3.7Å; H260-F264 AromaticContact CE1-CD2 3.74Å; H260-F264 AromaticContact CG-CD2 3.88Å; H260-F264 AromaticContact ND1-CD2 3.98Å; H260-F264 AromaticContact NE2-CD2 3.49Å; H260-F264 WeakPolarHBondContact NE2-CD2 3.22Å; H260-F264 AromaticContact NE2-CE2 3.75Å; H260-F264 VanDerWaalsContact O-CD2 3.27Å; H260-F264 WeakPolarHBondContact O-CD2 3.35Å; H260-F264 PolarHBondContact O-N 3.25Å
265R92.4Very high93Very high171 Ų171115.7 Ų115.765%0.64554%0.542SS*.THydrogen-bonded Turntrans-84.8-45.6-179-58.1-171.2-170.1-138.9-2.7112.3D261D261-R265 HydrophobicContact CB-CB 4.41Å; D261-R265 HydrophobicContact CB-CG 4.2Å; D261-R265 WeakPolarHBondContact O-CA 3.42Å; D261-R265 WeakPolarHBondContact O-CB 3.43Å; D261-R265 PolarHBondContact O-N 3.39Å; D261-R265 WeakPolarHBondContact OD1-CD 3.39Å; D261-R265 IonicContact OD1-CZ 3.69Å; D261-R265 IonicContact OD1-NE 2.99Å; D261-R265 PolarHBondContact OD1-NE 3.29Å; D261-R265 IonicContact OD2-NE 2.76Å
266W93.8Very high93Very high155 Ų155112.8 Ų112.859%0.58754%0.536SS*.SBendtrans-100.611.4-170-51.1121.5000114.5F215 D261 T268F215-W266 HydrophobicContact CB-CB 4.19Å; F215-W266 WeakPolarHBondContact CB-O 3.45Å; D261-W266 VanDerWaalsContact O-CD1 3.27Å; D261-W266 PolarHBondContact O-N 3.39Å; W266-T268 PolarHBondContact O-N 3.45Å
267Q93.7Very high92.9Very high94 Ų94107 Ų10744%0.43952%0.518SS..PPolyproline II helixtrans-66.1117-177.5179.961.256.500111F263F263-Q267 WeakPolarHBondContact O-CB 3Å
268T92.6Very high92.9Very high80 Ų80105.6 Ų105.649%0.49151%0.513SS..PPolyproline II helixtrans-100142.6176.659.80000111.8F215 W266F215-T268 VanDerWaalsContact CD1-OG1 3.27Å; F215-T268 WeakPolarHBondContact CD1-OG1 3.42Å; F215-T268 WeakPolarHBondContact CE1-OG1 3.33Å; W266-T268 PolarHBondContact O-N 3.45Å
269K93.3Very high92.9Very high188 Ų188104.7 Ų104.782%0.81751%0.507SS*.PPolyproline II helixtrans-72.2124.8177.4-172.2175.5-177.4174.60109.9
270P92.5Very high92.8Very high86 Ų86106.2 Ų106.256%0.55851%0.511SS*.PPolyproline II helixtrans-68.7160178.927.9-34.2000112M272P270-M272 HydrophobicContact CG-SD 3.91Å; P270-M272 PolarHBondContact O-N 3.22Å
271R89.4Confident92.6Very high194 Ų194104.9 Ų104.973%0.73251%0.505SS*.  trans-66.3104.2171.4-73-173.4170.8-156.7-6.3109.6E291R271-E291 IonicContact CZ-OE1 2.82Å; R271-E291 IonicContact NH1-OE1 3.42Å; R271-E291 PolarHBondContact NH1-OE1 3.39Å; R271-E291 IonicContact NH2-OE1 3.9Å; R271-E291 PolarHBondContact NH2-OE1 2.89Å
272M90.6Very high92.3Very high133 Ų133104.6 Ų104.666%0.65551%0.51SS*.PPolyproline II helixtrans-86.8163179.1-59.8-58.8-77.900112.3P270P270-M272 HydrophobicContact CG-SD 3.91Å; P270-M272 PolarHBondContact O-N 3.22Å
273T91.3Very high92.2Very high84 Ų84106.1 Ų106.152%0.51552%0.516SS..PPolyproline II helixtrans-103.7151.4173.154.50000110.8D277T273-D277 WeakPolarHBondContact CB-OD2 3.41Å; T273-D277 VanDerWaalsContact CG2-OD2 3.26Å; T273-D277 WeakPolarHBondContact CG2-OD2 3.31Å
274M91.5Very high91.8Very high161 Ų161105.2 Ų105.279%0.79351%0.513SS*.PPolyproline II helixtrans-80162.6178.5-58.5-63-75.400111.8G276 D277M274-G276 PolarHBondContact O-N 3.31Å; M274-D277 WeakPolarHBondContact O-CB 3.22Å; M274-D277 PolarHBondContact O-N 3.49Å; M274-D277 VanDerWaalsContact O-N 3.15Å
275V92.8Very high91.5Very high145 Ų145104.2 Ų104.288%0.87951%0.509SS*.THydrogen-bonded Turntrans-59131.2172.6-179.30000109.8
276G91.9Very high91.2Very high41 Ų41102.3 Ų102.342%0.42351%0.507SS..THydrogen-bonded Turntrans93.4-9-177.600000114.8M274 L278M274-G276 PolarHBondContact O-N 3.31Å; G276-L278 PolarHBondContact O-N 3.49Å
277D92.2Very high90.5Very high65 Ų65100 Ų10035%0.34851%0.51SS..  trans-79.988175.9-173.621.4000111.7T273 M274 K283T273-D277 WeakPolarHBondContact CB-OD2 3.41Å; T273-D277 VanDerWaalsContact CG2-OD2 3.26Å; T273-D277 WeakPolarHBondContact CG2-OD2 3.31Å; M274-D277 WeakPolarHBondContact O-CB 3.22Å; M274-D277 PolarHBondContact O-N 3.49Å; M274-D277 VanDerWaalsContact O-N 3.15Å; D277-K283 WeakPolarHBondContact OD1-CE 3.33Å; D277-K283 IonicContact OD1-NZ 2.84Å; D277-K283 PolarHBondContact OD1-NZ 3.22Å; D277-K283 WeakPolarHBondContact OD2-CE 3.46Å; D277-K283 IonicContact OD2-NZ 3.49Å; D277-K283 PolarHBondContact OD2-NZ 2.78Å
278L92.8Very high89.6Confident65 Ų65102.9 Ų102.934%0.3452%0.517SS..  trans-76.1148.9179.1-69.2175.9000112.4V186 P187 P189 G276 K283V186-L278 HydrophobicContact CG1-CD1 3.58Å; V186-L278 HydrophobicContact CG1-CD2 3.91Å; V186-L278 HydrophobicContact CG1-CG 3.66Å; P187-L278 VanDerWaalsContact O-CD1 3.29Å; P187-L278 WeakPolarHBondContact O-CD1 3.35Å; P189-L278 HydrophobicContact CG-CD1 4.15Å; G276-L278 PolarHBondContact O-N 3.49Å; L278-K283 WeakPolarHBondContact O-CD 3.45Å; L278-K283 PolarHBondContact O-NZ 2.94Å
279Y94Very high88.8Confident94 Ų94105.5 Ų105.537%0.36953%0.527SS..  trans-80.1135.4170.4-174.6-109.2000111Y198 L199 K202 K283 E284Y198-Y279 HydrophobicContact CE1-CD1 4.37Å; Y198-Y279 VanDerWaalsContact OH-C 3.3Å; Y198-Y279 WeakPolarHBondContact OH-CD1 3.3Å; Y198-Y279 PolarHBondContact OH-O 3.11Å; L199-Y279 HydrophobicContact CD2-CE1 4.14Å; K202-Y279 WeakPolarHBondContact CE-OH 3.4Å; K202-Y279 PolarHBondContact NZ-OH 3.21Å; Y279-K283 HydrophobicContact CD2-CB 4.11Å; Y279-K283 HydrophobicContact CD2-CD 3.95Å; Y279-K283 HydrophobicContact CE2-CB 4.01Å; Y279-E284 WeakPolarHBondContact CE2-OE2 3.38Å; Y279-E284 PolarHBondContact OH-OE2 3.25Å
280F92.5Very high88Confident87 Ų87108 Ų10838%0.38253%0.532SS..  trans-135.7155.8171.956.9-91.3000109.9G282 K283F280-G282 PolarHBondContact O-N 2.98Å; F280-K283 HydrophobicContact CD1-CB 4.08Å; F280-K283 HydrophobicContact CD1-CD 4.17Å; F280-K283 HydrophobicContact CD1-CG 4.33Å; F280-K283 HydrophobicContact CD2-CB 3.97Å; F280-K283 HydrophobicContact CE1-CB 3.95Å; F280-K283 HydrophobicContact CE1-CD 4.01Å; F280-K283 HydrophobicContact CE1-CG 3.89Å; F280-K283 HydrophobicContact CE2-CB 3.83Å; F280-K283 HydrophobicContact CE2-CG 4.49Å; F280-K283 HydrophobicContact CG-CB 4.09Å; F280-K283 HydrophobicContact CZ-CB 3.82Å; F280-K283 HydrophobicContact CZ-CG 3.98Å; F280-K283 WeakPolarHBondContact O-CB 3.42Å; F280-K283 PolarHBondContact O-N 3.45Å
281E91Very high87.3Confident62 Ų62110.3 Ų110.329%0.2954%0.535SS..THydrogen-bonded Turntrans-60.2121.4176.6-178.6170.8-135.400109.8G201 K202G201-E281 WeakPolarHBondContact CA-OE1 3.47Å; G201-E281 PolarHBondContact N-OE1 3.49Å; K202-E281 HydrophobicContact CG-CG 4.17Å; K202-E281 PolarHBondContact N-OE1 2.99Å
282G89Confident87.2Confident25 Ų25109.3 Ų109.326%0.25854%0.536SS..THydrogen-bonded Turntrans95.9-3.2-176.400000115.2F280 E284 F285F280-G282 PolarHBondContact O-N 2.98Å; G282-E284 PolarHBondContact O-N 3.1Å; G282-F285 PolarHBondContact O-N 3.27Å
283K91.2Very high87.2Confident37 Ų37110 Ų11016%0.16154%0.535CS..G310 helixtrans-56.8-35.7179.4-178.2175.3174.2-172.60113.1D277 L278 Y279 F280 F285 E286D277-K283 WeakPolarHBondContact OD1-CE 3.33Å; D277-K283 IonicContact OD1-NZ 2.84Å; D277-K283 PolarHBondContact OD1-NZ 3.22Å; D277-K283 WeakPolarHBondContact OD2-CE 3.46Å; D277-K283 IonicContact OD2-NZ 3.49Å; D277-K283 PolarHBondContact OD2-NZ 2.78Å; L278-K283 WeakPolarHBondContact O-CD 3.45Å; L278-K283 PolarHBondContact O-NZ 2.94Å; Y279-K283 HydrophobicContact CD2-CB 4.11Å; Y279-K283 HydrophobicContact CD2-CD 3.95Å; Y279-K283 HydrophobicContact CE2-CB 4.01Å; F280-K283 HydrophobicContact CD1-CB 4.08Å; F280-K283 HydrophobicContact CD1-CD 4.17Å; F280-K283 HydrophobicContact CD1-CG 4.33Å; F280-K283 HydrophobicContact CD2-CB 3.97Å; F280-K283 HydrophobicContact CE1-CB 3.95Å; F280-K283 HydrophobicContact CE1-CD 4.01Å; F280-K283 HydrophobicContact CE1-CG 3.89Å; F280-K283 HydrophobicContact CE2-CB 3.83Å; F280-K283 HydrophobicContact CE2-CG 4.49Å; F280-K283 HydrophobicContact CG-CB 4.09Å; F280-K283 HydrophobicContact CZ-CB 3.82Å; F280-K283 HydrophobicContact CZ-CG 3.98Å; F280-K283 WeakPolarHBondContact O-CB 3.42Å; F280-K283 PolarHBondContact O-N 3.45Å; K283-F285 VanDerWaalsContact C-N 3.26Å; K283-F285 PolarHBondContact O-N 3.05Å; K283-E286 PolarHBondContact O-N 3.39Å
284E87.2Confident87.2Confident89 Ų89109.1 Ų109.142%0.41653%0.531SS..G310 helixtrans-70.2-17.4178.763.5-83.2-174.100114.7K202 Y279 G282K202-E284 WeakPolarHBondContact CE-OE1 3.35Å; K202-E284 IonicContact NZ-OE1 2.9Å; K202-E284 PolarHBondContact NZ-OE1 3.45Å; K202-E284 IonicContact NZ-OE2 3.54Å; K202-E284 PolarHBondContact NZ-OE2 3.07Å; Y279-E284 WeakPolarHBondContact CE2-OE2 3.38Å; Y279-E284 PolarHBondContact OH-OE2 3.25Å; G282-E284 PolarHBondContact O-N 3.1Å
285F86.7Confident87Confident133 Ų133104.8 Ų104.858%0.58353%0.528SS*.G310 helixtrans-93.5-6.4178-56.9-63.5000112.6F205 G282 K283 T287F205-F285 HydrophobicContact CD1-CZ 4.26Å; G282-F285 PolarHBondContact O-N 3.27Å; K283-F285 VanDerWaalsContact C-N 3.26Å; K283-F285 PolarHBondContact O-N 3.05Å; F285-T287 PolarHBondContact O-N 3.22Å
286E86Confident86.8Confident130 Ų130105 Ų10561%0.60752%0.519SS*.SBendtrans-75.1111.7177-170.965-141.800109.9K283 R288K283-E286 PolarHBondContact O-N 3.39Å; E286-R288 PolarHBondContact O-N 3.03Å
287T77.7Confident86.8Confident107 Ų107105.2 Ų105.266%0.65651%0.51SS*.  trans-68.9127.9178.951.60000110.9F285 L289F285-T287 PolarHBondContact O-N 3.22Å; T287-L289 WeakPolarHBondContact O-CD1 3.26Å; T287-L289 PolarHBondContact O-N 3.02Å
288R74.8Confident86.7Confident154 Ų154105 Ų10558%0.58151%0.514SS*.  trans-80.3114.9177-65.2-179.1177.7-173-1.6110.2E286 R290E286-R288 PolarHBondContact O-N 3.03Å; R288-R290 PolarHBondContact O-N 3.2Å
289L76.1Confident86.7Confident136 Ų136106.4 Ų106.471%0.71252%0.522SS*.G310 helixtrans-71.6-11.8179.9-83.467.5000114.2T287 E291 K292T287-L289 WeakPolarHBondContact O-CD1 3.26Å; T287-L289 PolarHBondContact O-N 3.02Å; L289-E291 PolarHBondContact O-N 3.16Å; L289-K292 PolarHBondContact O-N 2.84Å
290R76.7Confident86.7Confident240 Ų240109.5 Ų109.591%0.90654%0.54SS*.G310 helixtrans-64.1-23.9-171.4-70.9-171.1174.2-168-2.8114.7R288 K292R288-R290 PolarHBondContact O-N 3.2Å; R290-K292 VanDerWaalsContact C-N 3.35Å
291E77.7Confident86.7Confident134 Ų134109.4 Ų109.463%0.62654%0.541SS*.G310 helixtrans-82.1-12.7-174.2-64.2178.4173.400112.7R271 L289R271-E291 IonicContact CZ-OE1 2.82Å; R271-E291 IonicContact NH1-OE1 3.42Å; R271-E291 PolarHBondContact NH1-OE1 3.39Å; R271-E291 IonicContact NH2-OE1 3.9Å; R271-E291 PolarHBondContact NH2-OE1 2.89Å; L289-E291 PolarHBondContact O-N 3.16Å
292K87.6Confident86.8Confident173 Ų173107.8 Ų107.875%0.75253%0.532SS*.  trans-106.8126.1-175.9-59.4-178.3-178.6-175.80111L289 R290L289-K292 PolarHBondContact O-N 2.84Å; R290-K292 VanDerWaalsContact C-N 3.35Å
293K90.1Very high87Confident147 Ų147112.1 Ų112.164%0.63955%0.549SS*.  trans-118.2146.6179.8-66.3-178.7-178175.30111.6E296K293-E296 PolarHBondContact O-N 2.66Å
294P91.1Very high87.2Confident66 Ų66114.3 Ų114.343%0.42957%0.574SS.*THydrogen-bonded Turntrans-64.1140.6173.128.7-34.7000110.5Y333 L336P294-Y333 HydrophobicContact CB-CE2 4.28Å; P294-Y333 HydrophobicContact CG-CD1 4.22Å; P294-Y333 HydrophobicContact CG-CE1 3.86Å; P294-Y333 HydrophobicContact CG-CE2 4.44Å; P294-L336 HydrophobicContact CB-CD1 4.5Å; P294-L336 HydrophobicContact CB-CD2 4.4Å
295G88.4Confident87.5Confident70 Ų70113.6 Ų113.672%0.72257%0.572SS**THydrogen-bonded Turntrans99.9-25-177.200000113.9
296E88.8Confident87.7Confident150 Ų150110.6 Ų110.670%0.70158%0.579SS**  trans-106.6142.8176-69178.1-17000111.2K293K293-E296 PolarHBondContact O-N 2.66Å
297L90.8Very high87.9Confident45 Ų45105.4 Ų105.424%0.23656%0.555CS.*  trans-128.2125.1177.7-65.8174.9000108.7M301 R302 L305 M307 P318 W320L297-M301 HydrophobicContact CD2-CG 4.16Å; L297-R302 HydrophobicContact CB-CG 4Å; L297-R302 PolarHBondContact O-NE 3.32Å; L297-L305 HydrophobicContact CD1-CD1 4.47Å; L297-M307 HydrophobicContact CD1-CE 3.33Å; L297-P318 HydrophobicContact CD1-CB 4.47Å; L297-W320 HydrophobicContact CD1-CH2 3.92Å; L297-W320 HydrophobicContact CD1-CZ2 4.22Å; L297-W320 HydrophobicContact CD2-CH2 4.18Å
298S91.5Very high88.5Confident61 Ų61102.9 Ų102.943%0.42754%0.54SS..  trans-63.8154175.2630000111.2E300 M301 R302S298-E300 VanDerWaalsContact C-N 3.25Å; S298-E300 PolarHBondContact O-N 3.12Å; S298-M301 WeakPolarHBondContact O-CB 3.35Å; S298-M301 PolarHBondContact O-N 3.07Å; S298-M301 WeakPolarHBondContact OG-CB 3.42Å; S298-M301 PolarHBondContact OG-N 3.37Å; S298-R302 WeakPolarHBondContact O-CG 3.43Å; S298-R302 PolarHBondContact O-N 2.79Å
299D92.5Very high89.4Confident94 Ų9498.9 Ų98.950%0.50353%0.533SS..Hα-helixtrans-59-39.4178.3-67.9-24.2000112M301 R302 I303 V309D299-M301 VanDerWaalsContact C-N 3.31Å; D299-M301 PolarHBondContact O-N 3.15Å; D299-R302 PolarHBondContact O-N 2.74Å; D299-I303 VanDerWaalsContact O-CG1 3.31Å; D299-I303 WeakPolarHBondContact O-CG1 3.43Å; D299-I303 PolarHBondContact O-N 3.39Å; D299-V309 HydrophobicContact CB-CG1 3.97Å; D299-V309 WeakPolarHBondContact O-CG1 3.48Å
300E93.2Very high89.9Confident160 Ų16094 Ų9475%0.74852%0.516SS*.Hα-helixtrans-57.3-44173.4-173.5-175.4-17000111.9S298 I303 A304S298-E300 VanDerWaalsContact C-N 3.25Å; S298-E300 PolarHBondContact O-N 3.12Å; E300-I303 PolarHBondContact O-N 3.42Å; E300-A304 PolarHBondContact O-N 3.26Å
301M91.8Very high90.3Very high85 Ų8589 Ų8942%0.41951%0.514SS..Hα-helixtrans-69.4-37.7178.1-176.56068.800111.5L297 S298 D299 A304 L305L297-M301 HydrophobicContact CD2-CG 4.16Å; S298-M301 WeakPolarHBondContact O-CB 3.35Å; S298-M301 PolarHBondContact O-N 3.07Å; S298-M301 WeakPolarHBondContact OG-CB 3.42Å; S298-M301 PolarHBondContact OG-N 3.37Å; D299-M301 VanDerWaalsContact C-N 3.31Å; D299-M301 PolarHBondContact O-N 3.15Å; M301-A304 PolarHBondContact O-N 2.89Å; M301-L305 HydrophobicContact CG-CD1 3.9Å; M301-L305 HydrophobicContact CG-CG 4.43Å; M301-L305 WeakPolarHBondContact O-CB 3.47Å; M301-L305 VanDerWaalsContact O-CG 3.28Å; M301-L305 WeakPolarHBondContact O-CG 3.22Å; M301-L305 PolarHBondContact O-N 2.82Å; M301-L305 HydrophobicContact SD-CD1 4.2Å; M301-L305 HydrophobicContact SD-CG 4.26Å
302R93.4Very high90.7Very high27 Ų2787 Ų8710%0.10251%0.507CS..Hα-helixtrans-62.8-44.8176.2-73.2175.5174.4-84.90.8111.4L297 S298 D299 A304 L305 G306 M307 V309 A313L297-R302 HydrophobicContact CB-CG 4Å; L297-R302 PolarHBondContact O-NE 3.32Å; S298-R302 WeakPolarHBondContact O-CG 3.43Å; S298-R302 PolarHBondContact O-N 2.79Å; D299-R302 PolarHBondContact O-N 2.74Å; R302-A304 VanDerWaalsContact C-N 3.34Å; R302-A304 PolarHBondContact O-N 3.17Å; R302-L305 CarbonylContact O-C 3.56Å; R302-L305 PolarHBondContact O-N 3.15Å; R302-G306 PolarHBondContact O-N 2.76Å; R302-M307 CarbonylContact C-O 3.59Å; R302-M307 HydrophobicContact CB-CB 4.25Å; R302-M307 HydrophobicContact CG-CE 4.03Å; R302-M307 PolarHBondContact O-N 3.07Å; R302-V309 HydrophobicContact CB-CG1 3.58Å; R302-A313 PolarHBondContact NH1-O 3.01Å
303I94.6Very high90.6Very high116 Ų11679.1 Ų79.160%0.59548%0.475SS*.Hα-helixtrans-58.9-46.8174.4-67.5161.2000110.3D299 E300 L305 G306 V309D299-I303 VanDerWaalsContact O-CG1 3.31Å; D299-I303 WeakPolarHBondContact O-CG1 3.43Å; D299-I303 PolarHBondContact O-N 3.39Å; E300-I303 PolarHBondContact O-N 3.42Å; I303-L305 VanDerWaalsContact C-N 3.28Å; I303-L305 PolarHBondContact O-N 3.18Å; I303-G306 PolarHBondContact O-N 3.37Å; I303-V309 HydrophobicContact CD1-CG1 4.29Å; I303-V309 HydrophobicContact CG1-CG1 3.74Å; I303-V309 HydrophobicContact CG1-CG2 4.4Å
304A95Very high90.4Very high83 Ų8377.3 Ų77.369%0.68647%0.468SS*.Hα-helixtrans-62.1-34.5178.700000113.1E300 M301 R302 G306E300-A304 PolarHBondContact O-N 3.26Å; M301-A304 PolarHBondContact O-N 2.89Å; R302-A304 VanDerWaalsContact C-N 3.34Å; R302-A304 PolarHBondContact O-N 3.17Å; A304-G306 VanDerWaalsContact C-N 3.3Å
305L92.3Very high90.1Very high75 Ų7579 Ų7939%0.39347%0.466SS..THydrogen-bonded Turntrans-82.7-3.7176.4-69.5171.8000113.6L297 M301 R302 I303 M307 W320L297-L305 HydrophobicContact CD1-CD1 4.47Å; M301-L305 HydrophobicContact CG-CD1 3.9Å; M301-L305 HydrophobicContact CG-CG 4.43Å; M301-L305 WeakPolarHBondContact O-CB 3.47Å; M301-L305 VanDerWaalsContact O-CG 3.28Å; M301-L305 WeakPolarHBondContact O-CG 3.22Å; M301-L305 PolarHBondContact O-N 2.82Å; M301-L305 HydrophobicContact SD-CD1 4.2Å; M301-L305 HydrophobicContact SD-CG 4.26Å; R302-L305 CarbonylContact O-C 3.56Å; R302-L305 PolarHBondContact O-N 3.15Å; I303-L305 VanDerWaalsContact C-N 3.28Å; I303-L305 PolarHBondContact O-N 3.18Å; L305-M307 VanDerWaalsContact C-N 3.29Å; L305-M307 HydrophobicContact CB-CE 3.95Å; L305-M307 HydrophobicContact CB-CG 4.13Å; L305-M307 HydrophobicContact CD1-CE 3.5Å; L305-M307 HydrophobicContact CG-CE 4.38Å; L305-M307 PolarHBondContact O-N 3.27Å; L305-W320 HydrophobicContact CD1-CH2 4.25Å; L305-W320 HydrophobicContact CD1-CZ3 4.16Å
306G91.7Very high90.2Very high69 Ų6980.2 Ų80.271%0.71145%0.449SS*.THydrogen-bonded Turntrans68.426.7-174.800000113.6R302 I303 A304R302-G306 PolarHBondContact O-N 2.76Å; I303-G306 PolarHBondContact O-N 3.37Å; A304-G306 VanDerWaalsContact C-N 3.3Å
307M90.6Very high90.3Very high21 Ų2174.1 Ų74.110%0.10342%0.423CS..  trans-96.6145.3176-63.8-168.9-61.700111.2L297 R302 L305 P318L297-M307 HydrophobicContact CD1-CE 3.33Å; R302-M307 CarbonylContact C-O 3.59Å; R302-M307 HydrophobicContact CB-CB 4.25Å; R302-M307 HydrophobicContact CG-CE 4.03Å; R302-M307 PolarHBondContact O-N 3.07Å; L305-M307 VanDerWaalsContact C-N 3.29Å; L305-M307 HydrophobicContact CB-CE 3.95Å; L305-M307 HydrophobicContact CB-CG 4.13Å; L305-M307 HydrophobicContact CD1-CE 3.5Å; L305-M307 HydrophobicContact CG-CE 4.38Å; L305-M307 PolarHBondContact O-N 3.27Å; M307-P318 HydrophobicContact SD-CB 4.45Å
308P91Very high90.4Very high55 Ų5573.5 Ų73.536%0.35742%0.422SS..  trans-57.4139.7175.5-26.236.5000112.9Y316P308-Y316 HydrophobicContact CB-CD2 3.81Å; P308-Y316 HydrophobicContact CB-CE2 3.88Å; P308-Y316 HydrophobicContact CB-CG 4.3Å; P308-Y316 HydrophobicContact CG-CD1 3.88Å; P308-Y316 HydrophobicContact CG-CD2 3.73Å; P308-Y316 HydrophobicContact CG-CE1 3.97Å; P308-Y316 HydrophobicContact CG-CE2 3.8Å; P308-Y316 HydrophobicContact CG-CG 3.77Å
309V91.7Very high90.4Very high70 Ų7075 Ų7542%0.42443%0.43SS..  trans-107.4161.2175.3-72.30000111.5D299 R302 I303D299-V309 HydrophobicContact CB-CG1 3.97Å; D299-V309 WeakPolarHBondContact O-CG1 3.48Å; R302-V309 HydrophobicContact CB-CG1 3.58Å; I303-V309 HydrophobicContact CD1-CG1 4.29Å; I303-V309 HydrophobicContact CG1-CG1 3.74Å; I303-V309 HydrophobicContact CG1-CG2 4.4Å
310G86.9Confident90.5Very high34 Ų3475.4 Ų75.435%0.35142%0.424SS..SBendtrans110.2-167.317700000114.1N312 A313G310-N312 PolarHBondContact O-N 3.28Å; G310-N312 VanDerWaalsContact O-N 3.15Å; G310-A313 WeakPolarHBondContact O-CB 3.31Å; G310-A313 PolarHBondContact O-N 3.32Å
311P85.9Confident90.5Very high134 Ų13467.9 Ų67.987%0.8739%0.39SS*.THydrogen-bonded Turntrans-62.9-27.7-172.625.1-34.4000112.9A313P311-A313 VanDerWaalsContact C-N 3.34Å
312N85.3Confident90.5Very high91 Ų9166.8 Ų66.849%0.48739%0.385SS..THydrogen-bonded Turntrans-89.99.2177.2-71.9-43.4000113.6G310 H314 R315G310-N312 PolarHBondContact O-N 3.28Å; G310-N312 VanDerWaalsContact O-N 3.15Å; N312-H314 PolarHBondContact O-N 3.46Å; N312-H314 VanDerWaalsContact O-N 3.16Å; N312-R315 HydrophobicContact CB-CG 4.39Å; N312-R315 WeakPolarHBondContact O-CB 3.31Å; N312-R315 PolarHBondContact O-N 3.13Å; N312-R315 PolarHBondContact OD1-NE 3.25Å; N312-R315 VanDerWaalsContact OD1-NE 3.1Å
313A86.6Confident90.5Very high8 Ų867.6 Ų67.67%0.06640%0.397CS..G310 helixtrans-60.9-26.3-177.800000113.2R302 G310 P311 R315R302-A313 PolarHBondContact NH1-O 3.01Å; G310-A313 WeakPolarHBondContact O-CB 3.31Å; G310-A313 PolarHBondContact O-N 3.32Å; P311-A313 VanDerWaalsContact C-N 3.34Å; A313-R315 VanDerWaalsContact C-N 3.26Å; A313-R315 PolarHBondContact O-N 3.13Å
314H84.8Confident90.5Very high109 Ų10963.8 Ų63.851%0.50538%0.377SS..G310 helixtrans-71.9-17.1176.4-164.867.3000113.4N312 Y316 P346 W358N312-H314 PolarHBondContact O-N 3.46Å; N312-H314 VanDerWaalsContact O-N 3.16Å; H314-Y316 VanDerWaalsContact C-N 3.27Å; H314-Y316 PolarHBondContact O-N 2.61Å; H314-P346 WeakPolarHBondContact CD2-CG 3.34Å; H314-P346 VanDerWaalsContact NE2-CG 3.28Å; H314-P346 WeakPolarHBondContact NE2-CG 3.35Å; H314-W358 VanDerWaalsContact O-CZ2 3.27Å; H314-W358 WeakPolarHBondContact O-CZ2 3.13Å
315R85.9Confident90.3Very high101 Ų10160.6 Ų60.638%0.38135%0.348SS..G310 helixtrans-70.8-24.1177.7-63.7-173.9177.5-88.3-5.3113.2N312 A313 D347 W358N312-R315 HydrophobicContact CB-CG 4.39Å; N312-R315 WeakPolarHBondContact O-CB 3.31Å; N312-R315 PolarHBondContact O-N 3.13Å; N312-R315 PolarHBondContact OD1-NE 3.25Å; N312-R315 VanDerWaalsContact OD1-NE 3.1Å; A313-R315 VanDerWaalsContact C-N 3.26Å; A313-R315 PolarHBondContact O-N 3.13Å; R315-D347 PolarHBondContact NH1-O 3Å; R315-W358 PolarHBondContact O-NE1 3.39Å
316Y89.5Confident90.3Very high96 Ų9665.1 Ų65.138%0.37636%0.36SS..SBendtrans-100.7114.7-176.4-64.1-89.6000109.8P308 H314P308-Y316 HydrophobicContact CB-CD2 3.81Å; P308-Y316 HydrophobicContact CB-CE2 3.88Å; P308-Y316 HydrophobicContact CB-CG 4.3Å; P308-Y316 HydrophobicContact CG-CD1 3.88Å; P308-Y316 HydrophobicContact CG-CD2 3.73Å; P308-Y316 HydrophobicContact CG-CE1 3.97Å; P308-Y316 HydrophobicContact CG-CE2 3.8Å; P308-Y316 HydrophobicContact CG-CG 3.77Å; H314-Y316 VanDerWaalsContact C-N 3.27Å; H314-Y316 PolarHBondContact O-N 2.61Å
317P91.9Very high90.3Very high22 Ų2271.2 Ų71.214%0.14336%0.363CS..  trans-72.1152179.729.7-34.7000111.3L321 G357 W358P317-L321 HydrophobicContact CB-CB 4.23Å; P317-L321 HydrophobicContact CB-CD2 3.4Å; P317-L321 HydrophobicContact CB-CG 4.42Å; P317-L321 HydrophobicContact CG-CD2 4.07Å; P317-G357 WeakPolarHBondContact CG-O 3.45Å; P317-W358 HydrophobicContact CB-CD2 3.93Å; P317-W358 HydrophobicContact CB-CE3 3.79Å; P317-W358 HydrophobicContact CB-CH2 4.14Å; P317-W358 HydrophobicContact CB-CZ2 4.29Å; P317-W358 HydrophobicContact CB-CZ3 3.85Å; P317-W358 HydrophobicContact CG-CD2 4.08Å; P317-W358 HydrophobicContact CG-CE3 4.41Å; P317-W358 HydrophobicContact CG-CG 4.23Å
318P93.2Very high90.4Very high32 Ų3270.6 Ų70.621%0.20836%0.362CS..  trans-66.2150.9171.929.5-34.7000111.3L297 M307 W320 L321L297-P318 HydrophobicContact CD1-CB 4.47Å; M307-P318 HydrophobicContact SD-CB 4.45Å; P318-W320 HydrophobicContact CB-CD2 3.75Å; P318-W320 HydrophobicContact CB-CE3 4.07Å; P318-W320 HydrophobicContact CB-CG 4.39Å; P318-W320 HydrophobicContact CB-CH2 3.69Å; P318-W320 HydrophobicContact CB-CZ2 3.32Å; P318-W320 HydrophobicContact CB-CZ3 4.04Å; P318-W320 HydrophobicContact CG-CD2 4.34Å; P318-W320 HydrophobicContact CG-CZ2 3.87Å; P318-W320 PolarHBondContact O-N 3.17Å; P318-W320 VanDerWaalsContact O-N 3.1Å; P318-L321 VanDerWaalsContact O-CB 3.27Å; P318-L321 WeakPolarHBondContact O-CB 3.45Å; P318-L321 PolarHBondContact O-N 2.85Å
319P91.3Very high90.5Very high92 Ų9269.8 Ų69.860%0.59736%0.356SS*.THydrogen-bonded Turntrans-64.7-22.9-171.625.2-35000113.7L321P319-L321 VanDerWaalsContact C-N 3.27Å; P319-L321 PolarHBondContact O-N 2.73Å
320W93.7Very high90.6Very high103 Ų10367.8 Ų67.839%0.3935%0.345SS..THydrogen-bonded Turntrans-78-6.5176.756.974.3000113.9L297 L305 P318 I322 A323 M324L297-W320 HydrophobicContact CD1-CH2 3.92Å; L297-W320 HydrophobicContact CD1-CZ2 4.22Å; L297-W320 HydrophobicContact CD2-CH2 4.18Å; L305-W320 HydrophobicContact CD1-CH2 4.25Å; L305-W320 HydrophobicContact CD1-CZ3 4.16Å; P318-W320 HydrophobicContact CB-CD2 3.75Å; P318-W320 HydrophobicContact CB-CE3 4.07Å; P318-W320 HydrophobicContact CB-CG 4.39Å; P318-W320 HydrophobicContact CB-CH2 3.69Å; P318-W320 HydrophobicContact CB-CZ2 3.32Å; P318-W320 HydrophobicContact CB-CZ3 4.04Å; P318-W320 HydrophobicContact CG-CD2 4.34Å; P318-W320 HydrophobicContact CG-CZ2 3.87Å; P318-W320 PolarHBondContact O-N 3.17Å; P318-W320 VanDerWaalsContact O-N 3.1Å; W320-I322 VanDerWaalsContact C-N 3.26Å; W320-I322 PolarHBondContact O-N 2.93Å; W320-A323 WeakPolarHBondContact O-CB 3.47Å; W320-A323 PolarHBondContact O-N 3Å; W320-A323 VanDerWaalsContact O-N 3.08Å; W320-M324 VanDerWaalsContact CD1-SD 3.56Å; W320-M324 HydrophobicContact CG-CE 4.2Å; W320-M324 WeakPolarHBondContact O-CG 3.38Å; W320-M324 PolarHBondContact O-N 3.35Å
321L93.2Very high91Very high3 Ų372.4 Ų72.42%0.01637%0.368CS..Hα-helixtrans-54.5-43.7177.1178.468.5000111.6P317 P318 P319 A323 M324 Q325 I338 L341 W358P317-L321 HydrophobicContact CB-CB 4.23Å; P317-L321 HydrophobicContact CB-CD2 3.4Å; P317-L321 HydrophobicContact CB-CG 4.42Å; P317-L321 HydrophobicContact CG-CD2 4.07Å; P318-L321 VanDerWaalsContact O-CB 3.27Å; P318-L321 WeakPolarHBondContact O-CB 3.45Å; P318-L321 PolarHBondContact O-N 2.85Å; P319-L321 VanDerWaalsContact C-N 3.27Å; P319-L321 PolarHBondContact O-N 2.73Å; L321-A323 VanDerWaalsContact C-N 3.26Å; L321-A323 PolarHBondContact O-N 3.15Å; L321-M324 PolarHBondContact O-N 3.37Å; L321-M324 VanDerWaalsContact O-N 3.1Å; L321-Q325 WeakPolarHBondContact O-CG 3.43Å; L321-Q325 PolarHBondContact O-N 2.77Å; L321-I338 HydrophobicContact CD1-CG2 3.83Å; L321-L341 HydrophobicContact CD1-CB 4.38Å; L321-W358 HydrophobicContact CD2-CB 4.34Å; L321-W358 HydrophobicContact CD2-CD2 4.26Å; L321-W358 HydrophobicContact CD2-CE3 3.51Å; L321-W358 HydrophobicContact CD2-CZ3 4.12Å
322I91.6Very high91.4Very high62 Ų6270.1 Ų70.132%0.31836%0.356SS..Hα-helixtrans-62.1-36.5-179.6-61.6172000111.1W320 R326 Y353W320-I322 VanDerWaalsContact C-N 3.26Å; W320-I322 PolarHBondContact O-N 2.93Å; I322-R326 WeakPolarHBondContact O-CG 3.39Å; I322-R326 PolarHBondContact O-N 3.34Å; I322-Y353 HydrophobicContact CD1-CD1 4.29Å; I322-Y353 HydrophobicContact CD1-CE1 4.28Å; I322-Y353 HydrophobicContact CG2-CE1 4.44Å
323A93.4Very high91.8Very high43 Ų4371.2 Ų71.236%0.35535%0.354SS..Hα-helixtrans-70.6-41.3175.300000111W320 L321 Q325 R326 Y327W320-A323 WeakPolarHBondContact O-CB 3.47Å; W320-A323 PolarHBondContact O-N 3Å; W320-A323 VanDerWaalsContact O-N 3.08Å; L321-A323 VanDerWaalsContact C-N 3.26Å; L321-A323 PolarHBondContact O-N 3.15Å; A323-Q325 VanDerWaalsContact C-N 3.29Å; A323-Q325 PolarHBondContact O-N 3.39Å; A323-R326 PolarHBondContact O-N 2.7Å; A323-Y327 HydrophobicContact CB-CD2 4.33Å; A323-Y327 VanDerWaalsContact O-CD2 3.23Å; A323-Y327 WeakPolarHBondContact O-CD2 3.36Å; A323-Y327 PolarHBondContact O-N 3.35Å
324M94.2Very high92.1Very high36 Ų3675.6 Ų75.618%0.17738%0.382CS..Hα-helixtrans-64.1-32.8175.9-65.4179.4170.200112.6W320 L321 R326 G328 P330 I338 L341W320-M324 VanDerWaalsContact CD1-SD 3.56Å; W320-M324 HydrophobicContact CG-CE 4.2Å; W320-M324 WeakPolarHBondContact O-CG 3.38Å; W320-M324 PolarHBondContact O-N 3.35Å; L321-M324 PolarHBondContact O-N 3.37Å; L321-M324 VanDerWaalsContact O-N 3.1Å; M324-R326 VanDerWaalsContact C-N 3.26Å; M324-R326 PolarHBondContact O-N 3.16Å; M324-G328 WeakPolarHBondContact CA-O 3.36Å; M324-G328 CarbonylContact O-C 3.21Å; M324-G328 WeakPolarHBondContact O-CA 3.36Å; M324-G328 PolarHBondContact O-N 3.28Å; M324-G328 VanDerWaalsContact O-O 3.12Å; M324-P330 HydrophobicContact CE-CG 3.68Å; M324-I338 HydrophobicContact SD-CD1 3.77Å; M324-L341 HydrophobicContact CB-CD2 3.7Å
325Q92.5Very high92.3Very high16 Ų1677.4 Ų77.48%0.07540%0.395CS..Hα-helixtrans-66-27.4172.3-72.8171.1-18.100113L321 A323 G340 L341 W358 K360 P362L321-Q325 WeakPolarHBondContact O-CG 3.43Å; L321-Q325 PolarHBondContact O-N 2.77Å; A323-Q325 VanDerWaalsContact C-N 3.29Å; A323-Q325 PolarHBondContact O-N 3.39Å; Q325-G340 PolarHBondContact NE2-O 3.35Å; Q325-L341 HydrophobicContact CG-CD1 4.24Å; Q325-W358 PolarHBondContact NE2-O 3.33Å; Q325-K360 PolarHBondContact NE2-O 3.36Å; Q325-K360 PolarHBondContact OE1-O 2.76Å; Q325-K360 VanDerWaalsContact OE1-O 3.08Å; Q325-P362 HydrophobicContact CB-CB 4.46Å; Q325-P362 HydrophobicContact CG-CG 4.38Å
326R91.3Very high92.7Very high170 Ų17074.2 Ų74.264%0.64239%0.385SS*.Hα-helixtrans-88.2-40179.9-68.3175.7-176-166.20.6113.2I322 A323 M324I322-R326 WeakPolarHBondContact O-CG 3.39Å; I322-R326 PolarHBondContact O-N 3.34Å; A323-R326 PolarHBondContact O-N 2.7Å; M324-R326 VanDerWaalsContact C-N 3.26Å; M324-R326 PolarHBondContact O-N 3.16Å
327Y92.4Very high92.7Very high198 Ų19876.7 Ų76.778%0.77640%0.398SS*.Hα-helixtrans-103.2-16.2-173.2-62.6-66.3000113.4A323A323-Y327 HydrophobicContact CB-CD2 4.33Å; A323-Y327 VanDerWaalsContact O-CD2 3.23Å; A323-Y327 WeakPolarHBondContact O-CD2 3.36Å; A323-Y327 PolarHBondContact O-N 3.35Å
328G91.5Very high92.7Very high8 Ų876.6 Ų76.68%0.08240%0.396CS..  trans101.9174.4-174.800000114M324 Y371M324-G328 WeakPolarHBondContact CA-O 3.36Å; M324-G328 CarbonylContact O-C 3.21Å; M324-G328 WeakPolarHBondContact O-CA 3.36Å; M324-G328 PolarHBondContact O-N 3.28Å; M324-G328 VanDerWaalsContact O-O 3.12Å; G328-Y371 PolarHBondContact N-OH 3.05Å
329P93.2Very high92.6Very high38 Ų3876.4 Ų76.425%0.24740%0.395CS..SBendtrans-65.4160176.428.8-35.2000111.8L341P329-L341 HydrophobicContact CB-CD2 4.12Å
330P94.6Very high92.5Very high28 Ų2872 Ų7218%0.18237%0.366CS..  trans-53.6126.6176.8-28.335.9000112.9M324 S332 Y333 L336M324-P330 HydrophobicContact CE-CG 3.68Å; P330-S332 PolarHBondContact O-N 3.15Å; P330-Y333 HydrophobicContact CB-CD2 4.05Å; P330-Y333 CarbonylContact O-C 3.27Å; P330-Y333 PolarHBondContact O-N 2.79Å; P330-L336 HydrophobicContact CG-CD2 4.49Å
331P94.2Very high92.4Very high130 Ų13067.1 Ų67.184%0.84435%0.348SS*.THydrogen-bonded Turntrans-64.8-25.8-17524.7-34.2000113.2Y333P331-Y333 VanDerWaalsContact C-N 3.31Å
332S95.2Very high92.3Very high87 Ų8767.5 Ų67.561%0.60835%0.35SS*.THydrogen-bonded Turntrans-77.4-12.8177.360.30000114.1P330P330-S332 PolarHBondContact O-N 3.15Å
333Y94.3Very high92.2Very high114 Ų11465.4 Ų65.445%0.44734%0.342SS..  trans-128.772.3-177.7-57.9-71.4000111.7P294 P330 P331 N335 L336P294-Y333 HydrophobicContact CB-CE2 4.28Å; P294-Y333 HydrophobicContact CG-CD1 4.22Å; P294-Y333 HydrophobicContact CG-CE1 3.86Å; P294-Y333 HydrophobicContact CG-CE2 4.44Å; P330-Y333 HydrophobicContact CB-CD2 4.05Å; P330-Y333 CarbonylContact O-C 3.27Å; P330-Y333 PolarHBondContact O-N 2.79Å; P331-Y333 VanDerWaalsContact C-N 3.31Å; Y333-N335 PolarHBondContact O-N 3.15Å; Y333-L336 WeakPolarHBondContact O-CB 3.33Å; Y333-L336 PolarHBondContact O-N 3.21Å
334P91.3Very high92.1Very high100 Ų10065.8 Ų65.865%0.64934%0.341SS*.THydrogen-bonded Turntrans-59.9-33.8-176.2-2333.8000113.6
335N90.9Very high92Very high146 Ų14665.2 Ų65.278%0.78134%0.338SS*.THydrogen-bonded Turntrans-93.33.2-175.9-61.6-18.4000113.3Y333 K337Y333-N335 PolarHBondContact O-N 3.15Å; N335-K337 PolarHBondContact O-N 2.83Å
336L92.6Very high91.8Very high34 Ų3465.5 Ų65.518%0.17834%0.342CS..  trans-70.7118.2-178.7-179.566000110P294 P330 Y333 I338 N342P294-L336 HydrophobicContact CB-CD1 4.5Å; P294-L336 HydrophobicContact CB-CD2 4.4Å; P330-L336 HydrophobicContact CG-CD2 4.49Å; Y333-L336 WeakPolarHBondContact O-CB 3.33Å; Y333-L336 PolarHBondContact O-N 3.21Å; L336-I338 HydrophobicContact CD2-CD1 3.97Å; L336-I338 HydrophobicContact CD2-CG1 4.1Å; L336-I338 HydrophobicContact CG-CD1 4.28Å; L336-I338 HydrophobicContact CG-CG1 3.95Å; L336-N342 PolarHBondContact O-ND2 2.94Å
337K90.3Very high91.6Very high148 Ų14864.7 Ų64.764%0.64335%0.35SS*.  trans-85.5119.9175.1-57.8-58.5-175173.90109.4N335 A343N335-K337 PolarHBondContact O-N 2.83Å; K337-A343 HydrophobicContact CB-CB 4.26Å
338I92.4Very high91.2Very high20 Ų2058.9 Ų58.910%0.10335%0.35CS..  trans-120.2113.2-177.9-61.3172000106.9L321 M324 L336 G340 L341 N342 A343L321-I338 HydrophobicContact CD1-CG2 3.83Å; M324-I338 HydrophobicContact SD-CD1 3.77Å; L336-I338 HydrophobicContact CD2-CD1 3.97Å; L336-I338 HydrophobicContact CD2-CG1 4.1Å; L336-I338 HydrophobicContact CG-CD1 4.28Å; L336-I338 HydrophobicContact CG-CG1 3.95Å; I338-G340 PolarHBondContact O-N 3.49Å; I338-L341 HydrophobicContact CB-CB 4.08Å; I338-L341 HydrophobicContact CB-CD2 4.2Å; I338-L341 HydrophobicContact CD1-CD2 3.9Å; I338-L341 HydrophobicContact CG2-CB 3.97Å; I338-L341 HydrophobicContact CG2-CD2 4.24Å; I338-L341 PolarHBondContact O-N 3.19Å; I338-L341 VanDerWaalsContact O-N 3.13Å; I338-N342 PolarHBondContact N-OD1 3.2Å; I338-N342 PolarHBondContact O-N 3.42Å; I338-N342 PolarHBondContact O-OD1 3.42Å; I338-A343 PolarHBondContact O-N 3.44Å
339P91.1Very high91Very high28 Ų2859.9 Ų59.918%0.18236%0.356CS..BIsolated β-bridgetrans-56.1136.4176.2-22.232000111L341 A343 P344 P346 W358P339-L341 VanDerWaalsContact C-N 3.32Å; P339-L341 PolarHBondContact O-N 3.38Å; P339-A343 CarbonylContact C-O 3.2Å; P339-P344 WeakPolarHBondContact CA-O 3.27Å; P339-P344 WeakPolarHBondContact CB-O 3.36Å; P339-P346 HydrophobicContact CB-CG 4.26Å; P339-W358 HydrophobicContact CB-CE3 4.39Å; P339-W358 HydrophobicContact CB-CH2 3.77Å; P339-W358 HydrophobicContact CB-CZ3 3.56Å; P339-W358 HydrophobicContact CG-CH2 4.42Å; P339-W358 HydrophobicContact CG-CZ3 4.46Å; P339-W358 VanDerWaalsContact O-CE3 3.3Å; P339-W358 WeakPolarHBondContact O-CZ3 3.34Å
340G89.6Confident90.8Very high0 Ų060.7 Ų60.70%037%0.365CS..THydrogen-bonded Turntrans76.48.4-176.600000116Q325 I338 A343Q325-G340 PolarHBondContact NE2-O 3.35Å; I338-G340 PolarHBondContact O-N 3.49Å; G340-A343 PolarHBondContact N-O 3.38Å
341L91Very high90.6Very high0 Ų062.7 Ų62.70%037%0.371CS..THydrogen-bonded Turntrans-131.1-53176.8176.359.7000113.4L321 M324 Q325 P329 I338 P339 P362 Y371 V374L321-L341 HydrophobicContact CD1-CB 4.38Å; M324-L341 HydrophobicContact CB-CD2 3.7Å; Q325-L341 HydrophobicContact CG-CD1 4.24Å; P329-L341 HydrophobicContact CB-CD2 4.12Å; I338-L341 HydrophobicContact CB-CB 4.08Å; I338-L341 HydrophobicContact CB-CD2 4.2Å; I338-L341 HydrophobicContact CD1-CD2 3.9Å; I338-L341 HydrophobicContact CG2-CB 3.97Å; I338-L341 HydrophobicContact CG2-CD2 4.24Å; I338-L341 PolarHBondContact O-N 3.19Å; I338-L341 VanDerWaalsContact O-N 3.13Å; P339-L341 VanDerWaalsContact C-N 3.32Å; P339-L341 PolarHBondContact O-N 3.38Å; L341-P362 HydrophobicContact CD1-CB 4.38Å; L341-P362 HydrophobicContact CD1-CG 3.64Å; L341-Y371 HydrophobicContact CD1-CD2 3.54Å; L341-Y371 HydrophobicContact CD1-CE2 4.22Å; L341-Y371 HydrophobicContact CD1-CG 4.26Å; L341-V374 WeakPolarHBondContact O-CG2 3.37Å
342N90.9Very high90.4Very high12 Ų1257.5 Ų57.56%0.06434%0.341CS..THydrogen-bonded Turntrans-14011.5177.666.4-20.4000112.5L336 I338 Y371 D373L336-N342 PolarHBondContact O-ND2 2.94Å; I338-N342 PolarHBondContact N-OD1 3.2Å; I338-N342 PolarHBondContact O-N 3.42Å; I338-N342 PolarHBondContact O-OD1 3.42Å; N342-Y371 WeakPolarHBondContact CB-O 3.37Å; N342-D373 CarbonylContact C-O 3.55Å
343A90Very high90Very high17 Ų1760.6 Ų60.614%0.1434%0.341CS..BIsolated β-bridgetrans-140.8155.6171.400000107.8K337 I338 P339 G340 D373K337-A343 HydrophobicContact CB-CB 4.26Å; I338-A343 PolarHBondContact O-N 3.44Å; P339-A343 CarbonylContact C-O 3.2Å; G340-A343 PolarHBondContact N-O 3.38Å; A343-D373 CarbonylContact C-O 3.42Å; A343-D373 WeakPolarHBondContact CA-O 3.49Å; A343-D373 PolarHBondContact N-O 3.2Å
344P90.5Very high89.7Confident51 Ų5160.7 Ų60.733%0.33135%0.345SS..PPolyproline II helixtrans-61.3154.4177.528.6-38.2000111.9P339 V374 L379P339-P344 WeakPolarHBondContact CA-O 3.27Å; P339-P344 WeakPolarHBondContact CB-O 3.36Å; P344-V374 WeakPolarHBondContact CA-O 3.42Å; P344-L379 HydrophobicContact CG-CD1 4.09Å
345I91.6Very high89.3Confident24 Ų2461 Ų6112%0.12336%0.356CS..PPolyproline II helixtrans-66.1149.7172.2-72.2-176.6000109.9C349 F351 W358I345-C349 HydrophobicContact CG2-CB 3.44Å; I345-C349 VanDerWaalsContact CG2-CB 3.44Å; I345-F351 HydrophobicContact CD1-CB 4.46Å; I345-F351 HydrophobicContact CD1-CD1 3.4Å; I345-F351 VanDerWaalsContact CD1-CD1 3.4Å; I345-F351 HydrophobicContact CD1-CD2 3.49Å; I345-F351 VanDerWaalsContact CD1-CD2 3.49Å; I345-F351 HydrophobicContact CD1-CE1 3.27Å; I345-F351 HydrophobicContact CD1-CE2 3.34Å; I345-F351 HydrophobicContact CD1-CG 3.5Å; I345-F351 HydrophobicContact CD1-CZ 3.21Å; I345-F351 HydrophobicContact CG1-CD1 4.47Å; I345-F351 HydrophobicContact CG1-CE1 3.88Å; I345-F351 HydrophobicContact CG1-CE2 3.98Å; I345-F351 HydrophobicContact CG1-CZ 3.57Å; I345-W358 HydrophobicContact CD1-CB 3.36Å; I345-W358 HydrophobicContact CD1-CD2 4.34Å; I345-W358 HydrophobicContact CD1-CG 3.69Å; I345-W358 HydrophobicContact CG1-CB 4.06Å; I345-W358 HydrophobicContact CG1-CD2 4.14Å; I345-W358 HydrophobicContact CG1-CE3 4.35Å; I345-W358 HydrophobicContact CG1-CG 4.03Å; I345-W358 HydrophobicContact CG2-CD2 4.17Å; I345-W358 HydrophobicContact CG2-CG 4.04Å
346P88.6Confident88.9Confident23 Ų2355.4 Ų55.415%0.14933%0.333CS..PPolyproline II helixtrans-62.5147.1173.8-22.737.1000113.7H314 P339 G348 C349 W358H314-P346 WeakPolarHBondContact CD2-CG 3.34Å; H314-P346 VanDerWaalsContact NE2-CG 3.28Å; H314-P346 WeakPolarHBondContact NE2-CG 3.35Å; P339-P346 HydrophobicContact CB-CG 4.26Å; P346-G348 PolarHBondContact O-N 3.46Å; P346-C349 WeakPolarHBondContact O-CB 3.37Å; P346-C349 PolarHBondContact O-N 3.43Å; P346-C349 VanDerWaalsContact O-N 3.09Å; P346-W358 HydrophobicContact CG-CH2 3.88Å; P346-W358 HydrophobicContact CG-CZ2 3.6Å
347D86.5Confident88.7Confident152 Ų15254.4 Ų54.481%0.81333%0.331SS*.THydrogen-bonded Turntrans-54.3132.6-175.7-64.1-33.2000113.8R315 C349R315-D347 PolarHBondContact NH1-O 3Å; D347-C349 VanDerWaalsContact C-N 3.32Å
348G84.2Confident88.8Confident76 Ų7647.7 Ų47.778%0.78430%0.302SS*.THydrogen-bonded Turntrans75.714.4-178.400000114.8P346P346-G348 PolarHBondContact O-N 3.46Å
349C88.1Confident88.8Confident30 Ų3046.9 Ų46.920%0.20330%0.298CS..  trans-107.1150.8168.7-52.40000110.4I345 P346 D347I345-C349 HydrophobicContact CG2-CB 3.44Å; I345-C349 VanDerWaalsContact CG2-CB 3.44Å; P346-C349 WeakPolarHBondContact O-CB 3.37Å; P346-C349 PolarHBondContact O-N 3.43Å; P346-C349 VanDerWaalsContact O-N 3.09Å; D347-C349 VanDerWaalsContact C-N 3.32Å
350A89.4Confident88.7Confident54 Ų5452.1 Ų52.145%0.44632%0.318SS..  trans-121147.8-177.700000111.8W358A350-W358 PolarHBondContact O-N 2.97Å
351F89.8Confident88.7Confident70 Ų7053.4 Ų53.431%0.30733%0.326SS..  trans-62.7142.7164.9-71.1-76.3000109.9I345 W358 P361 V374 F375I345-F351 HydrophobicContact CD1-CB 4.46Å; I345-F351 HydrophobicContact CD1-CD1 3.4Å; I345-F351 VanDerWaalsContact CD1-CD1 3.4Å; I345-F351 HydrophobicContact CD1-CD2 3.49Å; I345-F351 VanDerWaalsContact CD1-CD2 3.49Å; I345-F351 HydrophobicContact CD1-CE1 3.27Å; I345-F351 HydrophobicContact CD1-CE2 3.34Å; I345-F351 HydrophobicContact CD1-CG 3.5Å; I345-F351 HydrophobicContact CD1-CZ 3.21Å; I345-F351 HydrophobicContact CG1-CD1 4.47Å; I345-F351 HydrophobicContact CG1-CE1 3.88Å; I345-F351 HydrophobicContact CG1-CE2 3.98Å; I345-F351 HydrophobicContact CG1-CZ 3.57Å; F351-W358 HydrophobicContact CD1-CB 4.33Å; F351-P361 HydrophobicContact CD1-CB 4.1Å; F351-P361 HydrophobicContact CD1-CG 4.21Å; F351-P361 HydrophobicContact CE1-CB 3.67Å; F351-P361 HydrophobicContact CE1-CG 4.27Å; F351-P361 HydrophobicContact CE2-CB 4.37Å; F351-P361 HydrophobicContact CG-CG 4.37Å; F351-P361 HydrophobicContact CZ-CB 3.86Å; F351-P361 HydrophobicContact CZ-CG 4.5Å; F351-V374 HydrophobicContact CE1-CG1 4.12Å; F351-V374 HydrophobicContact CE2-CG1 4.48Å; F351-V374 HydrophobicContact CZ-CG1 3.53Å; F351-F375 HydrophobicContact CE2-CE1 4.45Å
352G90Very high88.5Confident21 Ų2153.9 Ų53.922%0.21633%0.329CS..BIsolated β-bridgetrans151167.5-179.800000113.3G357 G359G352-G357 CarbonylContact O-C 3.51Å; G352-G357 VanDerWaalsContact O-C 3.27Å; G352-G357 VanDerWaalsContact O-CA 3.31Å; G352-G357 WeakPolarHBondContact O-CA 3.33Å; G352-G359 PolarHBondContact N-O 2.83Å; G352-G359 PolarHBondContact O-N 3.42Å
353Y87.5Confident88.4Confident153 Ų15355.2 Ų55.260%0.634%0.338SS*.SBendtrans-99.44.7179.7-66.7-80.9000114.2I322 K360I322-Y353 HydrophobicContact CD1-CD1 4.29Å; I322-Y353 HydrophobicContact CD1-CE1 4.28Å; I322-Y353 HydrophobicContact CG2-CE1 4.44Å; Y353-K360 HydrophobicContact CE2-CB 4.48Å
354H87.6Confident88.2Confident115 Ų11557.6 Ų57.653%0.53235%0.348SS..SBendtrans-62.7163168.862.5-27.6000112.3G356 G357H354-G356 PolarHBondContact O-N 3.32Å; H354-G357 WeakPolarHBondContact CE1-CA 3.27Å; H354-G357 VanDerWaalsContact ND1-CA 3.34Å; H354-G357 WeakPolarHBondContact ND1-CA 3.17Å; H354-G357 WeakPolarHBondContact O-CA 3.44Å; H354-G357 PolarHBondContact O-N 3.26Å
355A82.4Confident88.2Confident106 Ų10665.1 Ų65.188%0.87638%0.379SS*.THydrogen-bonded Turntrans-57.6120.7177.800000111G357A355-G357 VanDerWaalsContact C-N 3.35Å
356G82.4Confident87.9Confident29 Ų2968.9 Ų68.930%0.29940%0.403SS..THydrogen-bonded Turntrans842.9-173.900000115.2H354H354-G356 PolarHBondContact O-N 3.32Å
357G89.2Confident87.6Confident13 Ų1369.9 Ų69.913%0.13442%0.418CS..  trans-74.7150.1175.600000113.9P317 G352 H354 A355 G359P317-G357 WeakPolarHBondContact CG-O 3.45Å; G352-G357 CarbonylContact O-C 3.51Å; G352-G357 VanDerWaalsContact O-C 3.27Å; G352-G357 VanDerWaalsContact O-CA 3.31Å; G352-G357 WeakPolarHBondContact O-CA 3.33Å; H354-G357 WeakPolarHBondContact CE1-CA 3.27Å; H354-G357 VanDerWaalsContact ND1-CA 3.34Å; H354-G357 WeakPolarHBondContact ND1-CA 3.17Å; H354-G357 WeakPolarHBondContact O-CA 3.44Å; H354-G357 PolarHBondContact O-N 3.26Å; A355-G357 VanDerWaalsContact C-N 3.35Å; G357-G359 VanDerWaalsContact C-N 3.29Å; G357-G359 PolarHBondContact O-N 2.9Å
358W93Very high87.4Confident8 Ų871.1 Ų71.13%0.0341%0.411CS..  trans-88.920.4-175.9-72.874.3000114.6H314 R315 P317 L321 Q325 P339 I345 P346 A350 F351H314-W358 VanDerWaalsContact O-CZ2 3.27Å; H314-W358 WeakPolarHBondContact O-CZ2 3.13Å; R315-W358 PolarHBondContact O-NE1 3.39Å; P317-W358 HydrophobicContact CB-CD2 3.93Å; P317-W358 HydrophobicContact CB-CE3 3.79Å; P317-W358 HydrophobicContact CB-CH2 4.14Å; P317-W358 HydrophobicContact CB-CZ2 4.29Å; P317-W358 HydrophobicContact CB-CZ3 3.85Å; P317-W358 HydrophobicContact CG-CD2 4.08Å; P317-W358 HydrophobicContact CG-CE3 4.41Å; P317-W358 HydrophobicContact CG-CG 4.23Å; L321-W358 HydrophobicContact CD2-CB 4.34Å; L321-W358 HydrophobicContact CD2-CD2 4.26Å; L321-W358 HydrophobicContact CD2-CE3 3.51Å; L321-W358 HydrophobicContact CD2-CZ3 4.12Å; Q325-W358 PolarHBondContact NE2-O 3.33Å; P339-W358 HydrophobicContact CB-CE3 4.39Å; P339-W358 HydrophobicContact CB-CH2 3.77Å; P339-W358 HydrophobicContact CB-CZ3 3.56Å; P339-W358 HydrophobicContact CG-CH2 4.42Å; P339-W358 HydrophobicContact CG-CZ3 4.46Å; P339-W358 VanDerWaalsContact O-CE3 3.3Å; P339-W358 WeakPolarHBondContact O-CZ3 3.34Å; I345-W358 HydrophobicContact CD1-CB 3.36Å; I345-W358 HydrophobicContact CD1-CD2 4.34Å; I345-W358 HydrophobicContact CD1-CG 3.69Å; I345-W358 HydrophobicContact CG1-CB 4.06Å; I345-W358 HydrophobicContact CG1-CD2 4.14Å; I345-W358 HydrophobicContact CG1-CE3 4.35Å; I345-W358 HydrophobicContact CG1-CG 4.03Å; I345-W358 HydrophobicContact CG2-CD2 4.17Å; I345-W358 HydrophobicContact CG2-CG 4.04Å; P346-W358 HydrophobicContact CG-CH2 3.88Å; P346-W358 HydrophobicContact CG-CZ2 3.6Å; A350-W358 PolarHBondContact O-N 2.97Å; F351-W358 HydrophobicContact CD1-CB 4.33Å
359G91Very high87.5Confident2 Ų269.7 Ų69.72%0.02139%0.388CS..BIsolated β-bridgetrans70-151179.100000112.8G352 G357G352-G359 PolarHBondContact N-O 2.83Å; G352-G359 PolarHBondContact O-N 3.42Å; G357-G359 VanDerWaalsContact C-N 3.29Å; G357-G359 PolarHBondContact O-N 2.9Å
360K89.2Confident87.3Confident139 Ų13972.8 Ų72.860%0.60440%0.402SS*.  trans-107.8131.4-179.3-174.7-173.7176.1-1710108.8Q325 Y353Q325-K360 PolarHBondContact NE2-O 3.36Å; Q325-K360 PolarHBondContact OE1-O 2.76Å; Q325-K360 VanDerWaalsContact OE1-O 3.08Å; Y353-K360 HydrophobicContact CE2-CB 4.48Å
361P89.3Confident87.1Confident27 Ų2773.6 Ų73.618%0.17539%0.394CS..  trans-59.9134.3177.126.6-33.5000109.6F351 V363 V374 F375F351-P361 HydrophobicContact CD1-CB 4.1Å; F351-P361 HydrophobicContact CD1-CG 4.21Å; F351-P361 HydrophobicContact CE1-CB 3.67Å; F351-P361 HydrophobicContact CE1-CG 4.27Å; F351-P361 HydrophobicContact CE2-CB 4.37Å; F351-P361 HydrophobicContact CG-CG 4.37Å; F351-P361 HydrophobicContact CZ-CB 3.86Å; F351-P361 HydrophobicContact CZ-CG 4.5Å; P361-V363 HydrophobicContact CB-CG2 3.82Å; P361-V363 HydrophobicContact CG-CG2 4.16Å; P361-V363 PolarHBondContact O-N 3.33Å; P361-V374 HydrophobicContact CB-CG1 3.79Å; P361-F375 HydrophobicContact CB-CE1 4.46Å; P361-F375 HydrophobicContact CB-CZ 4.17Å; P361-F375 HydrophobicContact CG-CZ 4.35Å
362P88.1Confident86.8Confident9 Ų972 Ų726%0.05840%0.398CS..  trans-77.892.8-178.228.5-29.8000109.7Q325 L341 P369 L370 Y371 V374Q325-P362 HydrophobicContact CB-CB 4.46Å; Q325-P362 HydrophobicContact CG-CG 4.38Å; L341-P362 HydrophobicContact CD1-CB 4.38Å; L341-P362 HydrophobicContact CD1-CG 3.64Å; P362-P369 WeakPolarHBondContact O-CA 3.36Å; P362-L370 PolarHBondContact O-N 2.94Å; P362-Y371 HydrophobicContact CB-CD2 3.74Å; P362-Y371 HydrophobicContact CB-CE2 3.82Å; P362-Y371 HydrophobicContact CG-CD2 3.91Å; P362-Y371 HydrophobicContact CG-CE2 4.46Å; P362-V374 HydrophobicContact CG-CG2 4.05Å
363V88Confident86.5Confident41 Ų4172.3 Ų72.325%0.24839%0.394CS..BIsolated β-bridgetrans-128.4143-169.6-1760000109.4P361 G367 R368 F375P361-V363 HydrophobicContact CB-CG2 3.82Å; P361-V363 HydrophobicContact CG-CG2 4.16Å; P361-V363 PolarHBondContact O-N 3.33Å; V363-G367 WeakPolarHBondContact CG1-O 3.46Å; V363-R368 CarbonylContact C-O 3.59Å; V363-R368 WeakPolarHBondContact CA-O 3.43Å; V363-R368 WeakPolarHBondContact CG1-O 3.48Å; V363-F375 HydrophobicContact CG2-CE2 4.05Å; V363-F375 HydrophobicContact CG2-CZ 4.02Å
364D86.7Confident86.3Confident67 Ų6765.1 Ų65.136%0.35837%0.366SS..  trans-73.4178.9178.471.29.9000111.8T366 G367 R368 L370D364-T366 VanDerWaalsContact CG-OG1 3.23Å; D364-T366 PolarHBondContact O-N 3.4Å; D364-T366 VanDerWaalsContact O-N 3.11Å; D364-T366 VanDerWaalsContact OD1-C 3.28Å; D364-T366 VanDerWaalsContact OD1-CA 3.28Å; D364-T366 WeakPolarHBondContact OD1-CA 3.47Å; D364-T366 WeakPolarHBondContact OD1-CB 3.33Å; D364-T366 PolarHBondContact OD1-N 3.42Å; D364-T366 PolarHBondContact OD1-OG1 3.01Å; D364-T366 PolarHBondContact OD2-OG1 2.92Å; D364-T366 VanDerWaalsContact OD2-OG1 3.06Å; D364-G367 PolarHBondContact O-N 2.94Å; D364-G367 PolarHBondContact OD1-N 3.01Å; D364-R368 PolarHBondContact N-O 3.31Å; D364-R368 PolarHBondContact OD1-N 3.22Å; D364-R368 WeakPolarHBondContact OD2-CB 3.22Å; D364-L370 HydrophobicContact CB-CD1 3.77Å
365E89Confident86.1Confident208 Ų20864.7 Ų64.797%0.97236%0.363SS*.THydrogen-bonded Turntrans-59.5-21.3177.3-62.5-179.9175.500113
366T85.5Confident85.8Confident103 Ų10360.7 Ų60.763%0.63233%0.332SS*.THydrogen-bonded Turntrans-97.71.4-17868.50000114.3D364D364-T366 VanDerWaalsContact CG-OG1 3.23Å; D364-T366 PolarHBondContact O-N 3.4Å; D364-T366 VanDerWaalsContact O-N 3.11Å; D364-T366 VanDerWaalsContact OD1-C 3.28Å; D364-T366 VanDerWaalsContact OD1-CA 3.28Å; D364-T366 WeakPolarHBondContact OD1-CA 3.47Å; D364-T366 WeakPolarHBondContact OD1-CB 3.33Å; D364-T366 PolarHBondContact OD1-N 3.42Å; D364-T366 PolarHBondContact OD1-OG1 3.01Å; D364-T366 PolarHBondContact OD2-OG1 2.92Å; D364-T366 VanDerWaalsContact OD2-OG1 3.06Å
367G82.9Confident85.3Confident45 Ų4564.9 Ų64.946%0.46435%0.352SS..SBendtrans88.46.5-179.100000114.8V363 D364V363-G367 WeakPolarHBondContact CG1-O 3.46Å; D364-G367 PolarHBondContact O-N 2.94Å; D364-G367 PolarHBondContact OD1-N 3.01Å
368R83.3Confident84.1Confident177 Ų17770.6 Ų70.667%0.66838%0.379SS*.  trans-92.1137.7178.6-57.2174.7176.7-163.6-2.6111.5V363 D364V363-R368 CarbonylContact C-O 3.59Å; V363-R368 WeakPolarHBondContact CA-O 3.43Å; V363-R368 WeakPolarHBondContact CG1-O 3.48Å; D364-R368 PolarHBondContact N-O 3.31Å; D364-R368 PolarHBondContact OD1-N 3.22Å; D364-R368 WeakPolarHBondContact OD2-CB 3.22Å
369P86.2Confident82.5Confident47 Ų4775.2 Ų75.231%0.30540%0.404SS..BIsolated β-bridgetrans-74.7137.4-175.533.5-37.5000112P362 G372 V374P362-P369 WeakPolarHBondContact O-CA 3.36Å; P369-G372 WeakPolarHBondContact CB-O 3.41Å; P369-G372 WeakPolarHBondContact CG-O 3.42Å; P369-V374 HydrophobicContact CB-CB 4.19Å; P369-V374 HydrophobicContact CB-CG2 3.74Å
370L84Confident80.7Confident94 Ų9480.5 Ų80.549%0.49244%0.438SS..SBendtrans-75.3-34.5-171.9-95.372.7000114.3P362 D364P362-L370 PolarHBondContact O-N 2.94Å; D364-L370 HydrophobicContact CB-CD1 3.77Å
371Y84.1Confident78.7Confident72 Ų7283.4 Ų83.428%0.28245%0.446SS..SBendtrans-117.910.2-164.3-56.7-62.3000113.9G328 L341 N342 P362G328-Y371 PolarHBondContact N-OH 3.05Å; L341-Y371 HydrophobicContact CD1-CD2 3.54Å; L341-Y371 HydrophobicContact CD1-CE2 4.22Å; L341-Y371 HydrophobicContact CD1-CG 4.26Å; N342-Y371 WeakPolarHBondContact CB-O 3.37Å; P362-Y371 HydrophobicContact CB-CD2 3.74Å; P362-Y371 HydrophobicContact CB-CE2 3.82Å; P362-Y371 HydrophobicContact CG-CD2 3.91Å; P362-Y371 HydrophobicContact CG-CE2 4.46Å
372G83Confident77.1Confident37 Ų3788.2 Ų88.238%0.38148%0.478SS..SBendtrans129.1-163.1-175.600000111.3P369 V374P369-G372 WeakPolarHBondContact CB-O 3.41Å; P369-G372 WeakPolarHBondContact CG-O 3.42Å; G372-V374 PolarHBondContact O-N 3.36Å
373D84.4Confident75.3Confident27 Ų2790.7 Ų90.714%0.14451%0.505CS..  trans-86.195.4-173.2-176.515.9000112.3N342 A343 F375 G376 V377 D378N342-D373 CarbonylContact C-O 3.55Å; A343-D373 CarbonylContact C-O 3.42Å; A343-D373 WeakPolarHBondContact CA-O 3.49Å; A343-D373 PolarHBondContact N-O 3.2Å; D373-F375 VanDerWaalsContact C-N 3.29Å; D373-F375 PolarHBondContact OD1-N 3.44Å; D373-F375 VanDerWaalsContact OD1-N 3.1Å; D373-G376 VanDerWaalsContact CG-N 3.28Å; D373-G376 PolarHBondContact OD1-N 2.89Å; D373-G376 WeakPolarHBondContact OD2-CA 3.46Å; D373-G376 PolarHBondContact OD2-N 2.9Å; D373-V377 VanDerWaalsContact CG-N 3.33Å; D373-V377 PolarHBondContact OD1-N 2.8Å; D373-V377 VanDerWaalsContact OD1-N 3.15Å; D373-V377 PolarHBondContact OD2-N 3.45Å; D373-D378 HydrophobicContact CB-CB 4.34Å; D373-D378 PolarHBondContact OD2-N 2.88Å
374V83.5Confident73.3Confident2 Ų295.9 Ų95.91%0.01253%0.531CS..SBendtrans-74.9-21.4176.8-179.30000111.9L341 P344 F351 P361 P362 P369 G372L341-V374 WeakPolarHBondContact O-CG2 3.37Å; P344-V374 WeakPolarHBondContact CA-O 3.42Å; F351-V374 HydrophobicContact CE1-CG1 4.12Å; F351-V374 HydrophobicContact CE2-CG1 4.48Å; F351-V374 HydrophobicContact CZ-CG1 3.53Å; P361-V374 HydrophobicContact CB-CG1 3.79Å; P362-V374 HydrophobicContact CG-CG2 4.05Å; P369-V374 HydrophobicContact CB-CB 4.19Å; P369-V374 HydrophobicContact CB-CG2 3.74Å; G372-V374 PolarHBondContact O-N 3.36Å
375F82.6Confident71.6Confident105 Ų10599.4 Ų99.446%0.46155%0.549SS..SBendtrans-106.5-10.7-169.7-63.5-65.4000113.1F351 P361 V363 D373 V377F351-F375 HydrophobicContact CE2-CE1 4.45Å; P361-F375 HydrophobicContact CB-CE1 4.46Å; P361-F375 HydrophobicContact CB-CZ 4.17Å; P361-F375 HydrophobicContact CG-CZ 4.35Å; V363-F375 HydrophobicContact CG2-CE2 4.05Å; V363-F375 HydrophobicContact CG2-CZ 4.02Å; D373-F375 VanDerWaalsContact C-N 3.29Å; D373-F375 PolarHBondContact OD1-N 3.44Å; D373-F375 VanDerWaalsContact OD1-N 3.1Å; F375-V377 HydrophobicContact CB-CG2 3.85Å
376G76Confident69.7Low23 Ų2393.9 Ų93.924%0.23753%0.531CS..SBendtrans76.923-179.100000113.5D373D373-G376 VanDerWaalsContact CG-N 3.28Å; D373-G376 PolarHBondContact OD1-N 2.89Å; D373-G376 WeakPolarHBondContact OD2-CA 3.46Å; D373-G376 PolarHBondContact OD2-N 2.9Å
377V71.7Confident68.2Low117 Ų11798.5 Ų98.571%0.70955%0.545SS*.SBendtrans-75.3-29.6-179-174.30000112.1D373 F375D373-V377 VanDerWaalsContact CG-N 3.33Å; D373-V377 PolarHBondContact OD1-N 2.8Å; D373-V377 VanDerWaalsContact OD1-N 3.15Å; D373-V377 PolarHBondContact OD2-N 3.45Å; F375-V377 HydrophobicContact CB-CG2 3.85Å
378D64.4Low66.8Low133 Ų133104.4 Ų104.471%0.71156%0.561SS**SBendtrans-10211.8-177.6-67.8-29.9000112.8D373 P380D373-D378 HydrophobicContact CB-CB 4.34Å; D373-D378 PolarHBondContact OD2-N 2.88Å; D378-P380 WeakPolarHBondContact O-CD 3.28Å
379L60Low65.3Low105 Ų105104.2 Ų104.255%0.5557%0.568SS.*PPolyproline II helixtrans-62.2121.2174.1-83.3154.6000109.2P344 Y381P344-L379 HydrophobicContact CG-CD1 4.09Å; L379-Y381 PolarHBondContact O-N 2.86Å; L379-Y381 VanDerWaalsContact O-N 3.07Å
380P53.1Low64.1Low113 Ų113111.4 Ų111.473%0.73460%0.597SS**PPolyproline II helixtrans-60120.8172.223.6-30000107.9D378D378-P380 WeakPolarHBondContact O-CD 3.28Å
381Y47.7Very low63.3Low199 Ų199112.7 Ų112.778%0.7861%0.608SS**PPolyproline II helixtrans-55.3126.2174.4-147.4-96000107.5L379 G383 N384L379-Y381 PolarHBondContact O-N 2.86Å; L379-Y381 VanDerWaalsContact O-N 3.07Å; Y381-G383 PolarHBondContact O-N 3.19Å; Y381-N384 PolarHBondContact O-N 2.94Å
382P55.3Low62.6Low129 Ų129117.6 Ų117.684%0.83863%0.634SS**THydrogen-bonded Turntrans-68.322-174.125.9-33.3000114.6
383G50.9Low62.4Low61 Ų61122 Ų12263%0.62965%0.653SS**THydrogen-bonded Turntrans-125.113.9-179.700000115.1Y381Y381-G383 PolarHBondContact O-N 3.19Å
384N45Very low62.2Low149 Ų149128.4 Ų128.480%0.79768%0.676SS**  trans-123.417.5-177.8-129.820.8000114.3Y381 P386Y381-N384 PolarHBondContact O-N 2.94Å; N384-P386 WeakPolarHBondContact O-CD 3.45Å
385I50.9Low62.3Low142 Ų142135.5 Ų135.573%0.72871%0.708SS**SBendtrans-77.9116.9160.6-49.3170.1000103.8E387I385-E387 PolarHBondContact O-N 3.37Å
386P50Low62.4Low91 Ų91143.1 Ų143.159%0.59173%0.734SS**  trans-51.4138.8168.9-16.628.7000107.1N384 E388N384-P386 WeakPolarHBondContact O-CD 3.45Å; P386-E388 HydrophobicContact CB-CG 4.45Å; P386-E388 PolarHBondContact O-N 2.87Å
387E53.7Low62.8Low201 Ų201145.3 Ų145.394%0.93976%0.757SS**  trans-58.274164.8-74.6173156.700108.2I385 E389I385-E387 PolarHBondContact O-N 3.37Å; E387-E389 PolarHBondContact O-N 3.15Å
388E53.6Low63.2Low168 Ų168145.4 Ų145.479%0.78575%0.749SS**  trans-71.195.3164.4-77.3-174.3168.700104.2P386 E390P386-E388 HydrophobicContact CB-CG 4.45Å; P386-E388 PolarHBondContact O-N 2.87Å; E388-E390 PolarHBondContact O-N 2.84Å
389E51.3Low63.8Low174 Ų174147.4 Ų147.481%0.81376%0.757SS**  trans4.4109166.2-65.1177.1164.900112.3E387 V391E387-E389 PolarHBondContact O-N 3.15Å; E389-V391 VanDerWaalsContact C-N 3.26Å; E389-V391 WeakPolarHBondContact O-CG2 3.44Å; E389-V391 PolarHBondContact O-N 2.89Å
390E61.5Low64.3Low197 Ų197149.4 Ų149.492%0.92176%0.763SS**  trans-45.891.2175.4-68.7179.2160.300110.3E388 E392E388-E390 PolarHBondContact O-N 2.84Å; E390-E392 PolarHBondContact O-N 2.96Å
391V67.7Low64.7Low121 Ų121148.4 Ų148.473%0.73376%0.759SS**  trans-64.1117.3179177.50000105.4E389 T393E389-V391 VanDerWaalsContact C-N 3.26Å; E389-V391 WeakPolarHBondContact O-CG2 3.44Å; E389-V391 PolarHBondContact O-N 2.89Å; V391-T393 WeakPolarHBondContact O-CG2 3.31Å; V391-T393 PolarHBondContact O-N 3.11Å
392E68.6Low65.1Low176 Ų176147.3 Ų147.382%0.82276%0.761SS**  trans-55.8103.4174.8-72179.1-176.100109.1E390 R394E390-E392 PolarHBondContact O-N 2.96Å; E392-R394 VanDerWaalsContact C-N 3.27Å
393T79.2Confident64.8Low128 Ų128149.2 Ų149.279%0.78576%0.759SS**  trans-88.52.5177.949.90000112.3V391V391-T393 WeakPolarHBondContact O-CG2 3.31Å; V391-T393 PolarHBondContact O-N 3.11Å
394R80.3Confident64.4Low162 Ų162154.8 Ų154.861%0.61177%0.768SS**SBendtrans-60.2138.9176.5-69.4-175.9177.2-180-0.1109.7E392 W396 E400E392-R394 VanDerWaalsContact C-N 3.27Å; R394-W396 PolarHBondContact O-N 3.27Å; R394-E400 IonicContact NH1-OE1 2.88Å; R394-E400 PolarHBondContact NH1-OE1 3.26Å
395H84Confident64.1Low152 Ų152152.9 Ų152.970%0.70477%0.767SS**PPolyproline II helixtrans-72.1135.7179.8-70.273.3000109G397 E398H395-G397 PolarHBondContact O-N 3.11Å; H395-G397 VanDerWaalsContact O-N 3.11Å; H395-E398 PolarHBondContact N-OE2 2.94Å; H395-E398 VanDerWaalsContact N-OE2 3.15Å; H395-E398 WeakPolarHBondContact O-CB 3.39Å; H395-E398 PolarHBondContact O-N 3.43Å
396W85.7Confident63.7Low265 Ų265151.3 Ų151.3100%1.00477%0.768SS**THydrogen-bonded Turntrans-56.5121.7176.6-175.181.2000110.6R394R394-W396 PolarHBondContact O-N 3.27Å
397G84.3Confident63.3Low69 Ų69155.6 Ų155.671%0.71178%0.78SS**THydrogen-bonded Turntrans89.57.4-176.500000115.4H395 M399H395-G397 PolarHBondContact O-N 3.11Å; H395-G397 VanDerWaalsContact O-N 3.11Å; G397-M399 PolarHBondContact O-N 2.98Å
398E79.9Confident62.7Low118 Ų118155.2 Ų155.255%0.55178%0.779SS**  trans-64.8113.6163.7-169.7164.4-166.500108.2H395 E400H395-E398 PolarHBondContact N-OE2 2.94Å; H395-E398 VanDerWaalsContact N-OE2 3.15Å; H395-E398 WeakPolarHBondContact O-CB 3.39Å; H395-E398 PolarHBondContact O-N 3.43Å; E398-E400 PolarHBondContact O-N 3.22Å
399M78.1Confident62Low175 Ų175156.4 Ų156.486%0.86278%0.784SS**PPolyproline II helixtrans-61125.4171.5-78.4177.117300107.3G397 S401G397-M399 PolarHBondContact O-N 2.98Å; M399-S401 PolarHBondContact O-N 2.76Å; M399-S401 VanDerWaalsContact O-N 3.17Å
400E70.6Confident61.4Low148 Ų148153.9 Ų153.969%0.69279%0.786SS**PPolyproline II helixtrans-55.3124167.1-61-170.3134.600106.9R394 E398 E402R394-E400 IonicContact NH1-OE1 2.88Å; R394-E400 PolarHBondContact NH1-OE1 3.26Å; E398-E400 PolarHBondContact O-N 3.22Å; E400-E402 PolarHBondContact O-N 3.04Å; E400-E402 VanDerWaalsContact O-N 3.16Å
401S61.4Low60.1Low92 Ų92154 Ų15464%0.64379%0.786SS**PPolyproline II helixtrans-53.1124.3-178.143.40000108.9M399 E403M399-S401 PolarHBondContact O-N 2.76Å; M399-S401 VanDerWaalsContact O-N 3.17Å; S401-E403 PolarHBondContact O-N 2.99Å
402E54.8Low58.6Low175 Ų175153.3 Ų153.382%0.81879%0.787SS**G310 helixtrans-62.318.7178.3-65.7178159.400113.9E400 E404 S405E400-E402 PolarHBondContact O-N 3.04Å; E400-E402 VanDerWaalsContact O-N 3.16Å; E402-E404 PolarHBondContact O-N 3.43Å; E402-S405 PolarHBondContact O-N 3.29Å
403E49.9Very low56.9Low170 Ų170154.1 Ų154.179%0.79479%0.791SS**G310 helixtrans-68.3-13.6-179.9-78-174.2162.400113.5S401S401-E403 PolarHBondContact O-N 2.99Å
404E41.6Very low54.9Low178 Ų178152.8 Ų152.883%0.83279%0.792SS**G310 helixtrans-80.8-10.3171.1-80.9-171.416600114.3E402 S406E402-E404 PolarHBondContact O-N 3.43Å; E404-S406 PolarHBondContact O-N 3.41Å
405S40.3Very low52.8Low109 Ų109153.7 Ų153.776%0.76280%0.804SS**G310 helixtrans-86.51.6-174.5-168.90000115E402E402-S405 PolarHBondContact O-N 3.29Å
406S41.8Very low50.5Low109 Ų109151.9 Ų151.976%0.76280%0.803SS**G310 helixtrans-110.71.7-175.8-169.20000114.7E404E404-S406 PolarHBondContact O-N 3.41Å
407E41.7Very low48.2Very low180 Ų180145.9 Ų145.984%0.84179%0.791SS**SBendtrans-95.2-1.3-176.1-115.3176.3177.400114.9
408E40.6Very low45.8Very low193 Ų193150.6 Ų150.690%0.90279%0.794SS**SBendtrans-1068-177.1-75.3-165157.500116.3
409E39.4Very low43.9Very low194 Ų194152 Ų15291%0.90781%0.805SS**SBendtrans-126.923.8-170.7-123.3-174-16300117.4
410S37.4Very low42.2Very low121 Ų121151.6 Ų151.685%0.84680%0.801SS**  trans-133.657.4178.2-174.60000114.7
411E34.3Very low40.8Very low199 Ų199150.9 Ų150.993%0.9380%0.802SS**  trans-115.191.5157.2-106.5-172171.200109.3
412S37Very low39.8Very low107 Ų107152.9 Ų152.975%0.74881%0.806SS**  trans-166.5120.7155.142.40000112.1
413E33.1Very low39.2Very low193 Ų193153 Ų15390%0.90281%0.811SS**  trans57.6112.1147.2-55.4-164.9167.800120.2
414A36.6Very low38.7Very low99 Ų99150.2 Ų150.282%0.81881%0.808SS**  172.5111.310400000111.3
415E35.8Very low38.7Very low182 Ų182146.6 Ų146.685%0.8581%0.809SS**  trans-66.5162.3152.2-75.3-177.2142.500110.7
416V36Very low38.6Very low113 Ų113146.9 Ų146.969%0.68581%0.808SS**  trans121.4126.8141.3-171.70000116.7
417N37.6Very low38.4Very low140 Ų140147.6 Ų147.675%0.74981%0.807SS**  trans93.898.5167.9-56.5-38.9000115.9
418E34.1Very low38.4Very low167 Ų167144 Ų14478%0.7880%0.798SS**  61119.664.1-64-167.116600114.5
419D40.9Very low38.4Very low147 Ų147143.8 Ų143.879%0.78680%0.796SS**  trans155.199.5140.9-75.1-18000108.7
420E41.8Very low38.6Very low167 Ų167137.9 Ų137.978%0.7879%0.788SS**  97.3104.792.9-128.7-174.3-177.400110.9
421D41.2Very low38.9Very low133 Ų133139.7 Ų139.771%0.71179%0.787SS**  165.2117.1119.2-88.5-33.4000114.4
422N40.5Very low39.5Very low135 Ų135136.7 Ų136.772%0.72278%0.776SS**  trans59.5106.2143.2-81-41.2000120.9
423L42.5Very low39.9Very low176 Ų176138.1 Ų138.192%0.92178%0.78SS**  -178.6114.9109.9-90.8158.9000109.9
424P38.7Very low40.6Very low113 Ų113134.7 Ų134.773%0.73478%0.775SS**  trans-105.5138.3-179.436-27.3000113.2
425A41Very low41.1Very low102 Ų102136.2 Ų136.284%0.84378%0.78SS**  trans-157.9106.7148.500000108.4
426P37.6Very low41.4Very low115 Ų115131 Ų13175%0.74778%0.775SS**  trans-104.7-168.4-17131.4-17.3000113.6
427V38.9Very low41.8Very low124 Ų124134 Ų13475%0.75279%0.785SS**  trans83.4134.5161.9-115.40000116.4
428V41.5Very low41.7Very low105 Ų105133.1 Ų133.164%0.63679%0.79SS**  cis-165.5156.818.7-148.80000108.6
429E41.2Very low41.9Very low188 Ų188131.9 Ų131.988%0.87979%0.794SS**  trans63.7134.3149.1-77.6159.3-176.500119.8
430G42.1Very low41.9Very low70 Ų70127.8 Ų127.872%0.72279%0.787SS**  cis174.8146.1700000105.9
431L45.1Very low41.9Very low158 Ų158126.3 Ų126.383%0.82779%0.789SS**  149.397.2110.4-169.270.2000105.5
432I46.6Very low41.6Very low136 Ų136125.6 Ų125.670%0.69779%0.794SS**  49.1103.679.3-29.1151.3000113.8
433T45.1Very low41.8Very low138 Ų138123.1 Ų123.185%0.84780%0.801SS**  -179.1136.410338.70000112.6
434P47.7Very low41.8Very low120 Ų120118.4 Ų118.478%0.77979%0.794SS**  trans-107.2160.5175.539.4-31.3000113.7
435S47Very low42.5Very low132 Ų132119.6 Ų119.692%0.92380%0.799SS**  trans-144.1124.9161.7-73.50000106.7
436G42.1Very low42.9Very low73 Ų73123.6 Ų123.675%0.75380%0.8SS**  cis117.376.417.700000110.3
437I45.3Very low43.5Very low174 Ų174124.4 Ų124.489%0.89280%0.803SS**  trans-153.1113.2147.444.5169.1000110.2
438S34.9Very low43.9Very low122 Ų122123.5 Ų123.585%0.85380%0.8SS**  trans-115.7131.1165-49.70000107.2
439T37.9Very low44.2Very low141 Ų141125 Ų12587%0.86581%0.805SS**  trans-159115.5161.3-50.40000104
440G42Very low44.4Very low62 Ų62122 Ų12264%0.63980%0.799SS**  cis107.3131.734.100000108.2
441V41.8Very low44.8Very low135 Ų135126 Ų12682%0.81880%0.802SS**  trans92.799.8172.8-1640000114.2
442S34.7Very low45.3Very low118 Ų118126.7 Ų126.783%0.82580%0.802SS**  cis74.1120.343.382.30000116
443G44.4Very low45.6Very low84 Ų84128 Ų12887%0.86681%0.809SS**  trans134.6105.9176.700000109.7
444G43.4Very low45.7Very low76 Ų76130.9 Ų130.978%0.78481%0.805SS**  cis114.785.426.700000108.6
445V51.6Low45.9Very low139 Ų139135.5 Ų135.584%0.84281%0.812SS**  trans-152.4103.7153.9-172.70000108.3
446E49.4Very low46Very low185 Ų185138.2 Ų138.286%0.86481%0.807SS**  trans-79131.6165.1-68170.5145.500109.5
447T50.2Low46.3Very low132 Ų132144.2 Ų144.281%0.8181%0.813SS**  trans-142106.6151.249.50000108
448P47Very low46.2Very low105 Ų105143.9 Ų143.968%0.68281%0.812SS**  trans-97.2173.1177.237.8-31.9000112.6
449D47.9Very low46.8Very low137 Ų137146.4 Ų146.473%0.73382%0.815SS**  trans87.5101.4151.5-65.5-16.2000121.1
450T46.4Very low47.4Very low124 Ų124148.8 Ų148.876%0.76182%0.816SS**  trans73.2103.8138.764.90000118.1
451I51.2Low47.8Very low154 Ų154154.9 Ų154.979%0.7983%0.828SS**  trans-118.492.5158.2-57.3175.2000107.5L453I451-L453 HydrophobicContact CG2-CD2 4.37Å; I451-L453 HydrophobicContact CG2-CG 4.14Å; I451-L453 PolarHBondContact O-N 3.42Å
452E53.8Low47.9Very low173 Ų173152.7 Ų152.781%0.80882%0.824SS**  trans-77.3104.2168.4-74.4-166.9147.800110.4R454E452-R454 PolarHBondContact O-N 3.4Å
453L53.3Low48.3Very low164 Ų164157.3 Ų157.386%0.85983%0.833SS**  trans-87.478.4169.3-67.8166.7000110.2I451I451-L453 HydrophobicContact CG2-CD2 4.37Å; I451-L453 HydrophobicContact CG2-CG 4.14Å; I451-L453 PolarHBondContact O-N 3.42Å
454R47.1Very low48.2Very low199 Ų199156.2 Ų156.275%0.75182%0.821SS**  trans-126.1119159.9-90.4-164.8-153.8105.60.4111.8E452 K456E452-R454 PolarHBondContact O-N 3.4Å; R454-K456 PolarHBondContact O-N 2.78Å
455K52.1Low48.2Very low217 Ų217161.5 Ų161.594%0.94383%0.826SS**  trans-66.885.9167.8-168.1177.1-177.1177.90110.1
456K50.2Low48.2Very low188 Ų188161.7 Ų161.782%0.81783%0.827SS**  trans-96.6102.3164.2-78.9-176.6175175.30109R454R454-K456 PolarHBondContact O-N 2.78Å
457K47.9Very low48.6Very low200 Ų200158.3 Ų158.387%0.8782%0.821SS**  trans-157.732167.4-152.3-174.6170.81740115.4
458L44.1Very low49.7Very low166 Ų166156.7 Ų156.787%0.86982%0.815SS**  trans-155.439.7177-127.7160.6000114.6
459L46.3Very low51Low175 Ų175160.1 Ų160.192%0.91683%0.827SS**SBendtrans-113.924.4-176.1-154.596.6000114.9
460E49.7Very low52.7Low191 Ų191162.2 Ų162.289%0.89383%0.826SS**SBendtrans-135.77.3-176.4-109.2178.6171.400117.5
461E50.9Low54.2Low190 Ų190161 Ų16189%0.88882%0.822SS**SBendtrans-128.620.3-172.3-79.6-172.8154.600117.2
462A44.1Very low55.6Low90 Ų90159.6 Ų159.674%0.74482%0.821SS**  trans-142.267.5176.800000113.6G464A462-G464 PolarHBondContact O-N 3.25Å
463E42.9Very low57Low215 Ų215154.4 Ų154.4100%1.00580%0.798SS**  trans-68.186.8150.7-74.4-169.4150.100108.7
464G42.5Very low58.5Low60 Ų60150.6 Ų150.662%0.61978%0.783SS**SBendtrans176100.2176.500000111.2A462A462-G464 PolarHBondContact O-N 3.25Å
465E44.6Very low60.2Low187 Ų187145.3 Ų145.387%0.87477%0.767SS**  trans42.197.1170.3-68.9-176.8160.700116.8P467E465-P467 WeakPolarHBondContact O-CD 3.46Å; E465-P467 VanDerWaalsContact O-N 3.14Å
466V50.3Low61.4Low143 Ų143141 Ų14187%0.86775%0.748SS**PPolyproline II helixtrans-55117.8168.5-149.80000108.8S468V466-S468 PolarHBondContact O-N 3.26Å; V466-S468 VanDerWaalsContact O-N 3.1Å
467P58.3Low62.6Low114 Ų114140.4 Ų140.474%0.7475%0.746SS**PPolyproline II helixtrans-65.1116.8178.923.7-30.5000108.9E465 L469E465-P467 WeakPolarHBondContact O-CD 3.46Å; E465-P467 VanDerWaalsContact O-N 3.14Å; P467-L469 PolarHBondContact O-N 3.18Å
468S73.7Confident63.4Low98 Ų98134.4 Ų134.469%0.68573%0.725SS**PPolyproline II helixtrans-60.4121.7174.855.20000109.7V466 Y470V466-S468 PolarHBondContact O-N 3.26Å; V466-S468 VanDerWaalsContact O-N 3.1Å; S468-Y470 PolarHBondContact O-N 3.31Å; S468-Y470 VanDerWaalsContact O-N 3.08Å
469L74.8Confident64.5Low178 Ų178135.4 Ų135.493%0.93273%0.726SS**SBendtrans-60.8-19.2-177.1-133.3115000113.7P467P467-L469 PolarHBondContact O-N 3.18Å
470Y81.9Confident65.2Low181 Ų181138.3 Ų138.371%0.7172%0.724SS**  trans-146.2148.4-179.962.7-85.1000110.4S468 V472S468-Y470 PolarHBondContact O-N 3.31Å; S468-Y470 VanDerWaalsContact O-N 3.08Å; Y470-V472 HydrophobicContact CD2-CG2 4Å; Y470-V472 HydrophobicContact CE2-CG2 3.87Å
471S78.8Confident65.7Low99 Ų99134.8 Ų134.869%0.69271%0.711SS**  trans-113.7124.1166.961.80000108.9L473S471-L473 PolarHBondContact O-N 3.18Å
472V81.4Confident66.1Low124 Ų124131.9 Ų131.975%0.75271%0.711SS**  trans-72.6114.8179.1-177.90000109.5Y470Y470-V472 HydrophobicContact CD2-CG2 4Å; Y470-V472 HydrophobicContact CE2-CG2 3.87Å
473L83.1Confident67.4Low64 Ų64131.1 Ų131.134%0.33571%0.712SS.*PPolyproline II helixtrans-77.4127.8174.4-69.7164.9000109.9S471 Y492 D493 V494S471-L473 PolarHBondContact O-N 3.18Å; L473-Y492 HydrophobicContact CB-CD1 4.43Å; L473-D493 WeakPolarHBondContact CD2-O 3.28Å; L473-V494 HydrophobicContact CD1-CG1 3.99Å; L473-V494 HydrophobicContact CD2-CG1 4.45Å
474P83.4Confident68.3Low84 Ų84127.6 Ų127.655%0.54570%0.695SS.*PPolyproline II helixtrans-67.6137.9177.625.1-30.1000111.2D493P474-D493 HydrophobicContact CG-CB 4.27Å; P474-D493 PolarHBondContact O-N 3.26Å
475E82.7Confident69.2Low87 Ų87134.3 Ų134.341%0.40771%0.713SS.*EExtended strand (participates in β ladder)trans-76.1128.3175.3-170.8-162148.100110.7H490 Y492E475-H490 HydrophobicContact CG-CB 4.32Å; E475-H490 IonicContact OE1-CD2 3.85Å; E475-H490 PolarHBondContact OE1-CD2 3.36Å; E475-H490 IonicContact OE1-CG 3.79Å; E475-H490 IonicContact OE1-NE2 2.7Å; E475-H490 IonicContact OE2-CD2 2.76Å; E475-Y492 HydrophobicContact CB-CD1 4.36Å; E475-Y492 HydrophobicContact CB-CE1 4.35Å
476K78.1Confident70.3Confident127 Ų127134.3 Ų134.355%0.55272%0.715SS**EExtended strand (participates in β ladder)trans-104.9109171.3-170.5173.4-175.81720109.3V478 V491K476-V478 PolarHBondContact O-N 3.32Å; K476-V491 CarbonylContact C-O 3.52Å; K476-V491 WeakPolarHBondContact CA-O 3.44Å; K476-V491 PolarHBondContact N-O 3.46Å; K476-V491 VanDerWaalsContact O-O 3.07Å
477K74.3Confident71Confident176 Ų176130 Ų13077%0.76570%0.7SS**  trans-66.6114.8173-70.7-179.1179.3175.90109.8
478V66.6Low71.5Confident73 Ų73129.3 Ų129.344%0.44270%0.698SS.*  trans-96.3121.6172.6-179.40000108.4K476 R480 I481 V491K476-V478 PolarHBondContact O-N 3.32Å; V478-R480 PolarHBondContact O-N 3.07Å; V478-I481 HydrophobicContact CG1-CG1 4.44Å; V478-V491 HydrophobicContact CB-CG2 4.41Å; V478-V491 HydrophobicContact CG2-CB 3.97Å; V478-V491 HydrophobicContact CG2-CG1 4.49Å; V478-V491 HydrophobicContact CG2-CG2 3.81Å
479E65.3Low71.4Confident187 Ų187129.3 Ų129.387%0.87469%0.694SS**  trans-62.9130.3167.8-75.4-170.7155.800109.2I481E479-I481 PolarHBondContact O-N 3.46Å; E479-I481 VanDerWaalsContact O-N 3.12Å
480R61.6Low71.5Confident236 Ų236125.5 Ų125.589%0.89167%0.671SS**  trans-37.5117.3-175.2-68.3-179-176.7177.50.5111.9V478 S482V478-R480 PolarHBondContact O-N 3.07Å; R480-S482 PolarHBondContact O-N 3.5Å
481I60.3Low71.2Confident118 Ų118119.8 Ų119.861%0.60566%0.655SS**  trans-60.4111.9169.7-59.9169.1000107.1V478 E479 G483 Q484V478-I481 HydrophobicContact CG1-CG1 4.44Å; E479-I481 PolarHBondContact O-N 3.46Å; E479-I481 VanDerWaalsContact O-N 3.12Å; I481-G483 VanDerWaalsContact C-N 3.26Å; I481-G483 PolarHBondContact O-N 3.48Å; I481-Q484 PolarHBondContact O-N 3.4Å
482S59.4Low71.3Confident128 Ų128121.4 Ų121.490%0.89565%0.647SS**THydrogen-bonded Turntrans-63.283.5177.2168.20000110R480R480-S482 PolarHBondContact O-N 3.5Å
483G70.7Confident71.3Confident74 Ų74118.2 Ų118.276%0.76363%0.626SS**THydrogen-bonded Turntrans167.6-24.1177.800000115.4I481I481-G483 VanDerWaalsContact C-N 3.26Å; I481-G483 PolarHBondContact O-N 3.48Å
484Q63.3Low71.1Confident141 Ų141118.2 Ų118.266%0.65963%0.628SS**  trans-112.1122.3-179.2-72.4179-19.900111.1I481 M486I481-Q484 PolarHBondContact O-N 3.4Å; Q484-M486 VanDerWaalsContact C-N 3.29Å; Q484-M486 PolarHBondContact O-N 3.26Å
485M60.5Low70.7Confident201 Ų201117.4 Ų117.499%0.9962%0.624SS**SBendtrans-77.5-11.5-172.6-147178.1-167.600113.6
486M66.8Low70.1Confident187 Ų187116.7 Ų116.792%0.92163%0.634SS**SBendtrans-14198.1170.2-80.4-168178.600108.5Q484Q484-M486 VanDerWaalsContact C-N 3.29Å; Q484-M486 PolarHBondContact O-N 3.26Å
487G65.1Low69.6Low53 Ų53113.1 Ų113.155%0.54663%0.627SS.*  trans-116.7139.9166.600000108.9T489G487-T489 PolarHBondContact O-N 3.4Å
488S70.4Confident69.1Low99 Ų99111.1 Ų111.169%0.69262%0.622SS**  trans-59.2135.6175.763.20000109.6H490S488-H490 PolarHBondContact O-N 3.23Å; S488-H490 PolarHBondContact OG-O 3.28Å
489T70.8Confident68.8Low99 Ų99111.9 Ų111.961%0.60763%0.631SS**SBendtrans-75-11.8-176.640.80000113.8G487G487-T489 PolarHBondContact O-N 3.4Å
490H75.9Confident68.5Low97 Ų97110.7 Ų110.745%0.44963%0.63SS.*  trans-125.7126.1-176.2-52.573.6000108E475 S488E475-H490 HydrophobicContact CG-CB 4.32Å; E475-H490 IonicContact OE1-CD2 3.85Å; E475-H490 PolarHBondContact OE1-CD2 3.36Å; E475-H490 IonicContact OE1-CG 3.79Å; E475-H490 IonicContact OE1-NE2 2.7Å; E475-H490 IonicContact OE2-CD2 2.76Å; S488-H490 PolarHBondContact O-N 3.23Å; S488-H490 PolarHBondContact OG-O 3.28Å
491V77.1Confident68.3Low62 Ų62109.9 Ų109.938%0.37663%0.627SS.*EExtended strand (participates in β ladder)trans-125134.2173.9179.10000106.5K476 V478K476-V491 CarbonylContact C-O 3.52Å; K476-V491 WeakPolarHBondContact CA-O 3.44Å; K476-V491 PolarHBondContact N-O 3.46Å; K476-V491 VanDerWaalsContact O-O 3.07Å; V478-V491 HydrophobicContact CB-CG2 4.41Å; V478-V491 HydrophobicContact CG2-CB 3.97Å; V478-V491 HydrophobicContact CG2-CG1 4.49Å; V478-V491 HydrophobicContact CG2-CG2 3.81Å
492Y81.3Confident67.7Low133 Ų133112.6 Ų112.652%0.52263%0.634SS.*EExtended strand (participates in β ladder)trans-97.6142.3179.6-61.3-81.5000110.8L473 E475 V494L473-Y492 HydrophobicContact CB-CD1 4.43Å; E475-Y492 HydrophobicContact CB-CD1 4.36Å; E475-Y492 HydrophobicContact CB-CE1 4.35Å; Y492-V494 PolarHBondContact O-N 3.48Å
493D79.9Confident66.9Low57 Ų57114.2 Ų114.231%0.30563%0.633SS.*  trans-79.9100.7177.6-164.7-16.8000110.8L473 P474 S495L473-D493 WeakPolarHBondContact CD2-O 3.28Å; P474-D493 HydrophobicContact CG-CB 4.27Å; P474-D493 PolarHBondContact O-N 3.26Å; D493-S495 VanDerWaalsContact OD1-CB 3.23Å; D493-S495 WeakPolarHBondContact OD1-CB 3.41Å; D493-S495 PolarHBondContact OD1-N 3.17Å; D493-S495 VanDerWaalsContact OD1-N 3.1Å; D493-S495 PolarHBondContact OD1-OG 3.15Å
494V78.4Confident65.7Low64 Ų64116.2 Ų116.239%0.38863%0.63SS.*  trans-91.77.4178.4-73.70000113.8L473 Y492 A496 A497 M498L473-V494 HydrophobicContact CD1-CG1 3.99Å; L473-V494 HydrophobicContact CD2-CG1 4.45Å; Y492-V494 PolarHBondContact O-N 3.48Å; V494-A496 VanDerWaalsContact C-N 3.3Å; V494-A496 PolarHBondContact O-N 2.95Å; V494-A497 PolarHBondContact O-N 2.92Å; V494-A497 VanDerWaalsContact O-N 3.1Å; V494-M498 HydrophobicContact CG2-CE 4.27Å; V494-M498 PolarHBondContact O-N 3.2Å
495S76.1Confident64.6Low66 Ų66118.6 Ų118.646%0.46264%0.639SS.*Hα-helixtrans-60.3-36.9-176.658.10000113.5D493 M498 S499D493-S495 VanDerWaalsContact OD1-CB 3.23Å; D493-S495 WeakPolarHBondContact OD1-CB 3.41Å; D493-S495 PolarHBondContact OD1-N 3.17Å; D493-S495 VanDerWaalsContact OD1-N 3.1Å; D493-S495 PolarHBondContact OD1-OG 3.15Å; S495-M498 PolarHBondContact O-N 3.01Å; S495-S499 PolarHBondContact O-N 3.39Å; S495-S499 VanDerWaalsContact O-N 3.13Å; S495-S499 PolarHBondContact O-OG 3.33Å
496A70.9Confident63.6Low73 Ų73114.1 Ų114.160%0.60363%0.627SS**Hα-helixtrans-66.6-39.1175.100000112.4V494 S499V494-A496 VanDerWaalsContact C-N 3.3Å; V494-A496 PolarHBondContact O-N 2.95Å; A496-S499 PolarHBondContact O-N 3.37Å
497A65.9Low62.3Low51 Ų51110.3 Ų110.342%0.42163%0.625SS.*Hα-helixtrans-72.3-29.7178.900000112.9V494V494-A497 PolarHBondContact O-N 2.92Å; V494-A497 VanDerWaalsContact O-N 3.1Å
498M64Low61.4Low134 Ų134115.5 Ų115.566%0.6664%0.64SS**Hα-helixtrans-78.6-28.7175.1-72.8-164.7-178.300113.3V494 S495 L500 R501V494-M498 HydrophobicContact CG2-CE 4.27Å; V494-M498 PolarHBondContact O-N 3.2Å; S495-M498 PolarHBondContact O-N 3.01Å; M498-L500 PolarHBondContact O-N 2.9Å; M498-R501 PolarHBondContact O-N 3.02Å
499S60.7Low60.2Low89 Ų89114.6 Ų114.662%0.62265%0.647SS**Hα-helixtrans-66.9-27.5178.4-60.40000112.3S495 A496 R501S495-S499 PolarHBondContact O-N 3.39Å; S495-S499 VanDerWaalsContact O-N 3.13Å; S495-S499 PolarHBondContact O-OG 3.33Å; A496-S499 PolarHBondContact O-N 3.37Å; S499-R501 VanDerWaalsContact C-N 3.26Å; S499-R501 PolarHBondContact O-N 3.32Å
500L58.9Low59Low162 Ų162112.9 Ų112.985%0.84865%0.649SS**THydrogen-bonded Turntrans-75.5-8.6177.4-142.776.4000114.2M498M498-L500 PolarHBondContact O-N 2.9Å
501R57Low58.1Low219 Ų219111.6 Ų111.683%0.82665%0.645SS**THydrogen-bonded Turntrans-107.66.9-178.3-67.1-172.1177.6-169.9-0.7113.9M498 S499M498-R501 PolarHBondContact O-N 3.02Å; S499-R501 VanDerWaalsContact C-N 3.26Å; S499-R501 PolarHBondContact O-N 3.32Å
502K47.7Very low57Low175 Ų175117.8 Ų117.876%0.76167%0.67SS**  trans-97.15-166.5-147.9173.5179.4178.90115.6T504K502-T504 PolarHBondContact O-N 2.82Å
503D43.6Very low56.2Low163 Ų163114.9 Ų114.987%0.87267%0.665SS**SBendtrans-80.513-179-77-21.2000115.5
504T45.9Very low55.5Low115 Ų115117.9 Ų117.971%0.70669%0.691SS**SBendtrans-134.2113.417354.30000112.4K502K502-T504 PolarHBondContact O-N 2.82Å
505K40Very low54.8Low192 Ų192117.6 Ų117.684%0.83569%0.687SS**  trans92.2102.6156.6-64.5179.5175.6177.30118.6
506S39.3Very low54.5Low106 Ų106119.5 Ų119.574%0.74169%0.692SS**  61.2104.8121.2-34.60000116.5
507A38.8Very low54.5Low108 Ų108121 Ų12189%0.89370%0.696SS**  5368.861.700000114
508D47.3Very low54.7Low161 Ų161125.2 Ų125.286%0.86171%0.711SS**  trans-157.2138.7143.7-1587.6000110.8G510D508-G510 VanDerWaalsContact C-N 3.35Å; D508-G510 PolarHBondContact O-N 3.05Å
509G44.2Very low54.6Low80 Ų80122.9 Ų122.983%0.82570%0.699SS**  trans-81.463.6-169.200000114.3
510G47.2Very low54.7Low64 Ų64124.2 Ų124.266%0.6670%0.698SS**  trans-87.5129.7175.500000113.3D508 E512D508-G510 VanDerWaalsContact C-N 3.35Å; D508-G510 PolarHBondContact O-N 3.05Å; G510-E512 PolarHBondContact O-N 3.21Å
511I56.1Low54.9Low70 Ų70124 Ų12436%0.35970%0.698SS.*  trans-70.3109174.1-60.6161.5000108.8V513 L536I511-V513 HydrophobicContact CG2-CG2 4.14Å; I511-V513 PolarHBondContact O-N 2.94Å; I511-L536 HydrophobicContact CD1-CD1 4.1Å
512E55Low55.1Low192 Ų192120.9 Ų120.990%0.89770%0.697SS**  trans-74107.3173.5-75.3-175.4166.200110.7G510G510-E512 PolarHBondContact O-N 3.21Å
513V63.2Low55.4Low71 Ų71114.7 Ų114.743%0.4368%0.678SS.*  trans-99.1100.3168.9-176.90000108I511 L515I511-V513 HydrophobicContact CG2-CG2 4.14Å; I511-V513 PolarHBondContact O-N 2.94Å; V513-L515 HydrophobicContact CG1-CD1 4.45Å; V513-L515 HydrophobicContact CG1-CG 4.25Å; V513-L515 PolarHBondContact O-N 3.05Å
514S64.6Low56.8Low121 Ų121113.6 Ų113.685%0.84667%0.672SS**  trans-76.2106.4174.859.20000110.6
515L64.4Low58Low58 Ų58112.3 Ų112.330%0.30467%0.673SS.*  trans-100.4129.9171.6-75.5157.2000109.5V513 E519 L528 K531V513-L515 HydrophobicContact CG1-CD1 4.45Å; V513-L515 HydrophobicContact CG1-CG 4.25Å; V513-L515 PolarHBondContact O-N 3.05Å; L515-E519 HydrophobicContact CD2-CB 4.39Å; L515-L528 HydrophobicContact CD1-CD2 4.43Å; L515-K531 HydrophobicContact CD2-CD 4.15Å
516N69.5Low59.7Low105 Ų105106.9 Ų106.956%0.56166%0.659SS**  trans-67.6144.9170.4-72.7-37.2000109.7D518 E519N516-D518 PolarHBondContact O-N 3.35Å; N516-D518 VanDerWaalsContact O-N 3.14Å; N516-E519 HydrophobicContact CB-CG 4.43Å; N516-E519 WeakPolarHBondContact O-CB 3.24Å; N516-E519 PolarHBondContact O-N 3.48Å
517P71.5Confident61.4Low105 Ų105103.1 Ų103.168%0.68264%0.638SS**G310 helixtrans-58.5-28.7-177.521.4-32000113.5E519 L520P517-E519 VanDerWaalsContact C-N 3.25Å; P517-E519 PolarHBondContact O-N 3.2Å; P517-L520 WeakPolarHBondContact O-CB 3.39Å; P517-L520 PolarHBondContact O-N 3.37Å
518D69.5Low62.9Low139 Ų139102 Ų10274%0.74362%0.616SS**G310 helixtrans-71.5-15175.8-61.8-23.2000113.9N516N516-D518 PolarHBondContact O-N 3.35Å; N516-D518 VanDerWaalsContact O-N 3.14Å
519E63.4Low64.3Low86 Ų86100.4 Ų100.440%0.40260%0.604SS.*G310 helixtrans-91.5-6177-64.2-172.6-16900112.8L515 N516 P517 K531L515-E519 HydrophobicContact CD2-CB 4.39Å; N516-E519 HydrophobicContact CB-CG 4.43Å; N516-E519 WeakPolarHBondContact O-CB 3.24Å; N516-E519 PolarHBondContact O-N 3.48Å; P517-E519 VanDerWaalsContact C-N 3.25Å; P517-E519 PolarHBondContact O-N 3.2Å; E519-K531 IonicContact OE2-NZ 3.5Å; E519-K531 PolarHBondContact OE2-NZ 3.22Å
520L61.2Low66Low116 Ų116102.5 Ų102.561%0.60759%0.592SS**THydrogen-bonded Turntrans-82.5-29.5-175.9-148.582.6000112.9P517P517-L520 WeakPolarHBondContact O-CB 3.39Å; P517-L520 PolarHBondContact O-N 3.37Å
521D63.9Low67.3Low157 Ų157104 Ų10484%0.8458%0.58SS**THydrogen-bonded Turntrans-84.7-5.7-176.6-90.4-8.9000114.4
522L61.1Low68.3Low155 Ų155107 Ų10781%0.81259%0.588SS**THydrogen-bonded Turntrans-122.15.3-171.9-82.9131.6000114.4
523A54.8Low69.5Low44 Ų44103.4 Ų103.436%0.36457%0.571SS.*  trans-113.3101.3-175.800000112.1L528A523-L528 HydrophobicContact CB-CD1 4.42Å
524D71.8Confident70Confident141 Ų141105.7 Ų105.775%0.75458%0.577SS**  trans-49.8149.3162.3-76.5-30.4000110.7S526 G527D524-S526 PolarHBondContact O-N 3.14Å; D524-G527 PolarHBondContact O-N 3.3Å
525A71.9Confident70.4Confident87 Ų87100.9 Ų100.972%0.71955%0.547SS*.Hα-helixtrans-48.9-27.5-17900000114.6Q529A525-Q529 PolarHBondContact O-N 3.45Å
526S74.9Confident70.9Confident78 Ų78102.8 Ų102.855%0.54556%0.557SS.*Hα-helixtrans-68-34.7174.3-175.40000113.7D524 Q530D524-S526 PolarHBondContact O-N 3.14Å; S526-Q530 WeakPolarHBondContact O-CG 3.22Å; S526-Q530 PolarHBondContact O-N 2.84Å; S526-Q530 VanDerWaalsContact O-N 3.13Å
527G75Confident70.9Confident28 Ų28104.5 Ų104.529%0.28956%0.559SS.*Hα-helixtrans-72.9-34.5179.900000113.4D524 Q530 K531D524-G527 PolarHBondContact O-N 3.3Å; G527-Q530 PolarHBondContact O-N 3.01Å; G527-K531 PolarHBondContact O-N 3.31Å; G527-K531 VanDerWaalsContact O-N 3.12Å
528L70.4Confident70.6Confident85 Ų85106 Ų10645%0.44556%0.557SS.*Hα-helixtrans-68.1-40.6174.8-117.3122.4000111.5L515 A523 K531 Y532L515-L528 HydrophobicContact CD1-CD2 4.43Å; A523-L528 HydrophobicContact CB-CD1 4.42Å; L528-K531 PolarHBondContact O-N 3.05Å; L528-Y532 PolarHBondContact O-N 3.42Å
529Q77.7Confident70.1Confident127 Ų127104.8 Ų104.859%0.59355%0.55SS*.Hα-helixtrans-66.2-37.1176.1-170.1158.4-8.200112.1A525 Y532 E533A525-Q529 PolarHBondContact O-N 3.45Å; Q529-Y532 PolarHBondContact O-N 3.17Å; Q529-E533 WeakPolarHBondContact O-CB 3.08Å; Q529-E533 WeakPolarHBondContact O-CG 3.33Å; Q529-E533 PolarHBondContact O-N 3.16Å
530Q78.1Confident69.9Low124 Ų124105 Ų10558%0.57956%0.561SS**Hα-helixtrans-63.9-42.2172.7-76.6-1799.200112.8S526 G527 Y532 E533 E534S526-Q530 WeakPolarHBondContact O-CG 3.22Å; S526-Q530 PolarHBondContact O-N 2.84Å; S526-Q530 VanDerWaalsContact O-N 3.13Å; G527-Q530 PolarHBondContact O-N 3.01Å; Q530-Y532 VanDerWaalsContact C-N 3.32Å; Q530-Y532 PolarHBondContact O-N 2.74Å; Q530-E533 PolarHBondContact O-N 3.17Å; Q530-E534 VanDerWaalsContact O-CB 3.26Å; Q530-E534 WeakPolarHBondContact O-CB 3.42Å; Q530-E534 PolarHBondContact O-N 3.27Å
531K76.4Confident69.7Low96 Ų96107.1 Ų107.142%0.41757%0.565SS.*Hα-helixtrans-65.4-36.4175.4-76.7-163.6177.9-176.20112L515 E519 G527 L528 E534 G535L515-K531 HydrophobicContact CD2-CD 4.15Å; E519-K531 IonicContact OE2-NZ 3.5Å; E519-K531 PolarHBondContact OE2-NZ 3.22Å; G527-K531 PolarHBondContact O-N 3.31Å; G527-K531 VanDerWaalsContact O-N 3.12Å; L528-K531 PolarHBondContact O-N 3.05Å; K531-E534 PolarHBondContact O-N 3.26Å; K531-G535 PolarHBondContact O-N 3.11Å
532Y76.6Confident69Low132 Ų132107 Ų10752%0.51856%0.56SS.*Hα-helixtrans-67.1-44.9175.5-163.9-93.6000112L528 Q529 Q530 G535 L536L528-Y532 PolarHBondContact O-N 3.42Å; Q529-Y532 PolarHBondContact O-N 3.17Å; Q530-Y532 VanDerWaalsContact C-N 3.32Å; Q530-Y532 PolarHBondContact O-N 2.74Å; Y532-G535 PolarHBondContact O-N 3.26Å; Y532-L536 PolarHBondContact O-N 2.94Å
533E79.1Confident68.3Low116 Ų116105.5 Ų105.554%0.54256%0.557SS.*Hα-helixtrans-64.9-36.8173.9-77-175.2-178.600112.3Q529 Q530 L536 K537Q529-E533 WeakPolarHBondContact O-CB 3.08Å; Q529-E533 WeakPolarHBondContact O-CG 3.33Å; Q529-E533 PolarHBondContact O-N 3.16Å; Q530-E533 PolarHBondContact O-N 3.17Å; E533-L536 PolarHBondContact O-N 3.5Å; E533-K537 VanDerWaalsContact O-CB 3.31Å; E533-K537 WeakPolarHBondContact O-CB 3.27Å; E533-K537 PolarHBondContact O-N 2.95Å
534E75.4Confident68.5Low120 Ų120109.8 Ų109.856%0.56157%0.574SS**Hα-helixtrans-67.5-37176-164.4169.2-162.400111.5Q530 K531 K537 Q538Q530-E534 VanDerWaalsContact O-CB 3.26Å; Q530-E534 WeakPolarHBondContact O-CB 3.42Å; Q530-E534 PolarHBondContact O-N 3.27Å; K531-E534 PolarHBondContact O-N 3.26Å; E534-K537 PolarHBondContact O-N 3.15Å; E534-Q538 WeakPolarHBondContact O-CG 3.48Å; E534-Q538 PolarHBondContact O-N 3.49Å
535G72.4Confident67.9Low20 Ų20110.7 Ų110.721%0.20657%0.571CS.*Hα-helixtrans-62.9-43.5170.200000113K531 Y532 K537 Q538 L539K531-G535 PolarHBondContact O-N 3.11Å; Y532-G535 PolarHBondContact O-N 3.26Å; G535-K537 VanDerWaalsContact C-N 3.29Å; G535-K537 PolarHBondContact O-N 3.27Å; G535-Q538 PolarHBondContact O-N 3.15Å; G535-L539 PolarHBondContact O-N 3.13Å
536L75.1Confident68.1Low98 Ų98110.9 Ų110.951%0.51357%0.567SS.*Hα-helixtrans-65.6-32.8176.1-155.978.6000112.3I511 Y532 E533 S540I511-L536 HydrophobicContact CD1-CD1 4.1Å; Y532-L536 PolarHBondContact O-N 2.94Å; E533-L536 PolarHBondContact O-N 3.5Å; L536-S540 PolarHBondContact O-N 2.88Å; L536-S540 PolarHBondContact O-OG 3Å
537K69.7Low68Low140 Ų140113.4 Ų113.461%0.60958%0.575SS**Hα-helixtrans-79.7-22.2178.6-145.3170.2-165.5165.60113.6E533 E534 G535 S540 K541E533-K537 VanDerWaalsContact O-CB 3.31Å; E533-K537 WeakPolarHBondContact O-CB 3.27Å; E533-K537 PolarHBondContact O-N 2.95Å; E534-K537 PolarHBondContact O-N 3.15Å; G535-K537 VanDerWaalsContact C-N 3.29Å; G535-K537 PolarHBondContact O-N 3.27Å; K537-S540 WeakPolarHBondContact CA-OG 3.46Å; K537-S540 PolarHBondContact O-OG 3.42Å; K537-K541 WeakPolarHBondContact O-CG 3.48Å
538Q64.2Low67.7Low136 Ų136117.9 Ų117.964%0.63659%0.591SS**Hα-helixtrans-78.3-37.2172-7618013.600111.4E534 G535 K541E534-Q538 WeakPolarHBondContact O-CG 3.48Å; E534-Q538 PolarHBondContact O-N 3.49Å; G535-Q538 PolarHBondContact O-N 3.15Å; Q538-K541 PolarHBondContact O-N 3.16Å
539L59.5Low68.1Low114 Ų114118.6 Ų118.660%0.59760%0.599SS**Hα-helixtrans-68.2-34.9173.9-108.193.7000113.2G535 K541G535-L539 PolarHBondContact O-N 3.13Å; L539-K541 PolarHBondContact O-N 2.91Å
540S59.7Low68.2Low92 Ų92115 Ų11564%0.64359%0.591SS**THydrogen-bonded Turntrans-78.72.4178.249.20000114.7L536 K537L536-S540 PolarHBondContact O-N 2.88Å; L536-S540 PolarHBondContact O-OG 3Å; K537-S540 WeakPolarHBondContact CA-OG 3.46Å; K537-S540 PolarHBondContact O-OG 3.42Å
541K55.8Low68.3Low159 Ų159113.9 Ų113.969%0.69159%0.586SS**THydrogen-bonded Turntrans-103.29176.3-83.8-177.5177.1-179.70114.3K537 Q538 L539 V543K537-K541 WeakPolarHBondContact O-CG 3.48Å; Q538-K541 PolarHBondContact O-N 3.16Å; L539-K541 PolarHBondContact O-N 2.91Å; K541-V543 VanDerWaalsContact C-N 3.27Å; K541-V543 PolarHBondContact O-N 3.03Å
542E48.8Very low68.5Low154 Ų154114.6 Ų114.672%0.7259%0.59SS**  trans-66.790.4160.1-73.5-173.8149.800108.5
543V47Very low68.9Low124 Ų124110.3 Ų110.375%0.75258%0.582SS**SBendtrans164.166.7136.5-1660000107.3K541K541-V543 VanDerWaalsContact C-N 3.27Å; K541-V543 PolarHBondContact O-N 3.03Å
544D60Low69.2Low135 Ų135107.1 Ų107.172%0.72258%0.576SS**  trans-159.360.1162.4-96.8-25.8000111.4S546D544-S546 PolarHBondContact O-N 3.17Å
545F59.2Low69.6Low160 Ų160109.1 Ų109.170%0.70258%0.578SS**Hα-helixtrans-69.3-9.5174.3-75.5-83.1000113.6V549F545-V549 VanDerWaalsContact O-CG2 3.29Å; F545-V549 WeakPolarHBondContact O-CG2 3.27Å; F545-V549 PolarHBondContact O-N 3.44Å
546S74.6Confident70Confident90 Ų90113.9 Ų113.963%0.62960%0.595SS**Hα-helixtrans-65-41.9-178.4-178.20000112.7D544 A550D544-S546 PolarHBondContact O-N 3.17Å; S546-A550 WeakPolarHBondContact O-CB 3.28Å; S546-A550 PolarHBondContact O-N 3.08Å
547D73.2Confident70.5Confident132 Ų132116.5 Ų116.571%0.70660%0.603SS**Hα-helixtrans-73.6-31.4-177-102.46.6000112.8A550 E551D547-A550 PolarHBondContact O-N 2.97Å; D547-E551 WeakPolarHBondContact O-CB 3.21Å; D547-E551 PolarHBondContact O-N 2.98Å
548L69.8Low71.2Confident122 Ų122114.1 Ų114.164%0.63960%0.599SS**Hα-helixtrans-76.3-35.5178.7-145.4144.7000111.4H552L548-H552 WeakPolarHBondContact O-CB 3.34Å; L548-H552 PolarHBondContact O-N 3.05Å
549V77.6Confident72.2Confident100 Ų100117 Ų11761%0.60660%0.604SS**Hα-helixtrans-67-40.7169.9174.30000110.7F545 H552 A553F545-V549 VanDerWaalsContact O-CG2 3.29Å; F545-V549 WeakPolarHBondContact O-CG2 3.27Å; F545-V549 PolarHBondContact O-N 3.44Å; V549-H552 PolarHBondContact O-N 3.3Å; V549-A553 VanDerWaalsContact O-CB 3.27Å; V549-A553 WeakPolarHBondContact O-CB 3.49Å; V549-A553 PolarHBondContact O-N 2.96Å
550A80.5Confident73.4Confident52 Ų52114.4 Ų114.443%0.4360%0.599SS.*Hα-helixtrans-63.9-42.2175.100000112.2S546 D547 A553 A554S546-A550 WeakPolarHBondContact O-CB 3.28Å; S546-A550 PolarHBondContact O-N 3.08Å; D547-A550 PolarHBondContact O-N 2.97Å; A550-A553 PolarHBondContact O-N 3.43Å; A550-A554 WeakPolarHBondContact O-CB 3.35Å; A550-A554 PolarHBondContact O-N 3.1Å
551E79.4Confident74.5Confident99 Ų99116.4 Ų116.446%0.46360%0.599SS.*Hα-helixtrans-67.1-40.8176.3-160.9-168.6162.100111.5D547 A554 R555D547-E551 WeakPolarHBondContact O-CB 3.21Å; D547-E551 PolarHBondContact O-N 2.98Å; E551-A554 PolarHBondContact O-N 3.25Å; E551-R555 WeakPolarHBondContact O-CB 3.08Å; E551-R555 WeakPolarHBondContact O-CG 3.34Å; E551-R555 PolarHBondContact O-N 3.22Å; E551-R555 IonicContact OE1-CZ 3.72Å; E551-R555 IonicContact OE1-NE 3Å; E551-R555 PolarHBondContact OE1-NE 3.45Å; E551-R555 IonicContact OE1-NH2 3.89Å; E551-R555 PolarHBondContact OE1-NH2 2.83Å
552H81.1Confident75.8Confident111 Ų111113.9 Ų113.951%0.51459%0.592SS.*Hα-helixtrans-66-41.4176.6-168.7-101000111.8L548 V549 R555 Q556L548-H552 WeakPolarHBondContact O-CB 3.34Å; L548-H552 PolarHBondContact O-N 3.05Å; V549-H552 PolarHBondContact O-N 3.3Å; H552-R555 PolarHBondContact O-N 2.94Å; H552-Q556 PolarHBondContact CE1-NE2 3.1Å; H552-Q556 WeakPolarHBondContact O-CG 3.34Å; H552-Q556 PolarHBondContact O-N 3.18Å
553A84.5Confident77.5Confident42 Ų42109.8 Ų109.835%0.34758%0.578SS.*Hα-helixtrans-63.8-39.8173.800000112.1V549 A550 Q556 K557V549-A553 VanDerWaalsContact O-CB 3.27Å; V549-A553 WeakPolarHBondContact O-CB 3.49Å; V549-A553 PolarHBondContact O-N 2.96Å; A550-A553 PolarHBondContact O-N 3.43Å; A553-Q556 PolarHBondContact O-N 2.72Å; A553-K557 WeakPolarHBondContact O-CG 3.1Å; A553-K557 PolarHBondContact O-N 3.13Å
554A85.2Confident79.3Confident50 Ų50106.9 Ų106.941%0.41356%0.563SS.*Hα-helixtrans-65.3-43.4174.400000111.8A550 E551 Q556 K557 V558A550-A554 WeakPolarHBondContact O-CB 3.35Å; A550-A554 PolarHBondContact O-N 3.1Å; E551-A554 PolarHBondContact O-N 3.25Å; A554-Q556 PolarHBondContact O-N 3.29Å; A554-K557 PolarHBondContact O-N 3.44Å; A554-V558 WeakPolarHBondContact O-CG2 3.31Å; A554-V558 PolarHBondContact O-N 3.17Å
555R84Confident80.4Confident162 Ų162107.3 Ų107.361%0.61156%0.558SS**Hα-helixtrans-63.5-38.9175.6-75.4178.8-178.5-160.33.5112E551 H552 V558 R559E551-R555 WeakPolarHBondContact O-CB 3.08Å; E551-R555 WeakPolarHBondContact O-CG 3.34Å; E551-R555 PolarHBondContact O-N 3.22Å; E551-R555 IonicContact OE1-CZ 3.72Å; E551-R555 IonicContact OE1-NE 3Å; E551-R555 PolarHBondContact OE1-NE 3.45Å; E551-R555 IonicContact OE1-NH2 3.89Å; E551-R555 PolarHBondContact OE1-NH2 2.83Å; H552-R555 PolarHBondContact O-N 2.94Å; R555-V558 PolarHBondContact O-N 2.84Å; R555-R559 WeakPolarHBondContact O-CB 3.42Å; R555-R559 PolarHBondContact O-N 3.35Å
556Q82.1Confident81.5Confident120 Ų120104.9 Ų104.956%0.56155%0.549SS*.Hα-helixtrans-64.9-42.6173.7-77.3-168.4-7.400112.1H552 A553 A554 R559 A560H552-Q556 PolarHBondContact CE1-NE2 3.1Å; H552-Q556 WeakPolarHBondContact O-CG 3.34Å; H552-Q556 PolarHBondContact O-N 3.18Å; A553-Q556 PolarHBondContact O-N 2.72Å; A554-Q556 PolarHBondContact O-N 3.29Å; Q556-R559 PolarHBondContact O-N 3.17Å; Q556-A560 WeakPolarHBondContact O-CB 3.23Å; Q556-A560 PolarHBondContact O-N 2.81Å
557K85.4Confident81.8Confident153 Ų153104.7 Ų104.767%0.66554%0.541SS*.Hα-helixtrans-61.6-44.3175.2-76.8179.3-179.2177.10112.2A553 A554 A560 Q561A553-K557 WeakPolarHBondContact O-CG 3.1Å; A553-K557 PolarHBondContact O-N 3.13Å; A554-K557 PolarHBondContact O-N 3.44Å; K557-A560 PolarHBondContact O-N 2.81Å; K557-Q561 WeakPolarHBondContact O-CB 3.44Å; K557-Q561 WeakPolarHBondContact O-CG 3.38Å; K557-Q561 PolarHBondContact O-N 3.32Å
558V84.4Confident82.2Confident89 Ų89103.2 Ų103.254%0.53953%0.534SS..Hα-helixtrans-64.2-42.2176.7173.70000111A554 R555 Q561 L562A554-V558 WeakPolarHBondContact O-CG2 3.31Å; A554-V558 PolarHBondContact O-N 3.17Å; R555-V558 PolarHBondContact O-N 2.84Å; V558-Q561 PolarHBondContact O-N 2.87Å; V558-L562 WeakPolarHBondContact O-CB 3.44Å; V558-L562 PolarHBondContact O-N 3.18Å
559R85.4Confident82.8Confident196 Ų196100.2 Ų100.274%0.7452%0.52SS*.Hα-helixtrans-64.7-41.8176.6-169174.3-179.9155-1.6111.7R555 Q556 L562 V563R555-R559 WeakPolarHBondContact O-CB 3.42Å; R555-R559 PolarHBondContact O-N 3.35Å; Q556-R559 PolarHBondContact O-N 3.17Å; R559-L562 PolarHBondContact O-N 3Å; R559-V563 VanDerWaalsContact O-CG2 3.28Å; R559-V563 WeakPolarHBondContact O-CG2 3.41Å; R559-V563 PolarHBondContact O-N 2.8Å
560A83.8Confident82.9Confident60 Ų60104.4 Ų104.450%0.49653%0.525SS..Hα-helixtrans-63.5-40.9175.900000112Q556 K557 V563 S564Q556-A560 WeakPolarHBondContact O-CB 3.23Å; Q556-A560 PolarHBondContact O-N 2.81Å; K557-A560 PolarHBondContact O-N 2.81Å; A560-V563 PolarHBondContact O-N 3.28Å; A560-S564 WeakPolarHBondContact O-CB 3.37Å; A560-S564 PolarHBondContact O-N 3.4Å; A560-S564 PolarHBondContact O-OG 3.35Å
561Q83.5Confident82.8Confident135 Ų135110.6 Ų110.663%0.63154%0.537SS*.Hα-helixtrans-65-37.9173.6-75.9179.8-18.500112.5K557 V558 S564 F565K557-Q561 WeakPolarHBondContact O-CB 3.44Å; K557-Q561 WeakPolarHBondContact O-CG 3.38Å; K557-Q561 PolarHBondContact O-N 3.32Å; V558-Q561 PolarHBondContact O-N 2.87Å; Q561-S564 PolarHBondContact O-N 2.93Å; Q561-S564 PolarHBondContact O-OG 3.39Å; Q561-F565 WeakPolarHBondContact O-CB 3.41Å; Q561-F565 PolarHBondContact O-N 3.1Å
562L83.1Confident82.7Confident105 Ų105114.7 Ų114.755%0.5555%0.549SS..Hα-helixtrans-71.3-37.7179-152.8125.8000111.8V558 R559 Q566V558-L562 WeakPolarHBondContact O-CB 3.44Å; V558-L562 PolarHBondContact O-N 3.18Å; R559-L562 PolarHBondContact O-N 3Å; L562-Q566 PolarHBondContact O-N 3.4Å
563V84.3Confident82.5Confident69 Ų69116.1 Ų116.142%0.41855%0.553SS.*Hα-helixtrans-67.4-42.3173.6172.10000111.1R559 A560 F565 Q566 N567R559-V563 VanDerWaalsContact O-CG2 3.28Å; R559-V563 WeakPolarHBondContact O-CG2 3.41Å; R559-V563 PolarHBondContact O-N 2.8Å; A560-V563 PolarHBondContact O-N 3.28Å; V563-F565 VanDerWaalsContact C-N 3.34Å; V563-F565 PolarHBondContact O-N 3.08Å; V563-Q566 PolarHBondContact O-N 3.42Å; V563-N567 WeakPolarHBondContact O-CB 3.45Å; V563-N567 PolarHBondContact O-N 3.05Å
564S83.4Confident82.1Confident63 Ų63116.4 Ų116.444%0.44156%0.555SS.*Hα-helixtrans-66-37.1176.772.30000112A560 Q561 N567 N568A560-S564 WeakPolarHBondContact O-CB 3.37Å; A560-S564 PolarHBondContact O-N 3.4Å; A560-S564 PolarHBondContact O-OG 3.35Å; Q561-S564 PolarHBondContact O-N 2.93Å; Q561-S564 PolarHBondContact O-OG 3.39Å; S564-N567 PolarHBondContact O-N 3.43Å; S564-N568 WeakPolarHBondContact O-CB 3.03Å; S564-N568 PolarHBondContact O-N 3.38Å
565F83.8Confident81.6Confident143 Ų143120.3 Ų120.363%0.62757%0.565SS**Hα-helixtrans-64.9-42.7173.5-171-95.4000112.4Q561 V563 N568 T569Q561-F565 WeakPolarHBondContact O-CB 3.41Å; Q561-F565 PolarHBondContact O-N 3.1Å; V563-F565 VanDerWaalsContact C-N 3.34Å; V563-F565 PolarHBondContact O-N 3.08Å; F565-N568 PolarHBondContact O-N 3Å; F565-T569 HydrophobicContact CD1-CG2 4.46Å; F565-T569 HydrophobicContact CE1-CG2 4.03Å; F565-T569 HydrophobicContact CZ-CG2 4.23Å; F565-T569 PolarHBondContact O-N 2.64Å; F565-T569 PolarHBondContact O-OG1 3.39Å
566Q81.6Confident81.1Confident110 Ų110119.1 Ų119.151%0.51457%0.567SS.*Hα-helixtrans-64.4-39.1174-82.6-171.5-4.400112.6L562 V563 T569 R570L562-Q566 PolarHBondContact O-N 3.4Å; V563-Q566 PolarHBondContact O-N 3.42Å; Q566-T569 WeakPolarHBondContact CA-OG1 3.17Å; Q566-T569 PolarHBondContact O-OG1 3.09Å; Q566-R570 WeakPolarHBondContact O-CB 3.07Å; Q566-R570 PolarHBondContact O-N 2.84Å
567N82.7Confident80.4Confident85 Ų85120 Ų12046%0.45557%0.571SS.*Hα-helixtrans-70-39.1177.8-76.9-18.4000112.2V563 S564 R570 R571V563-N567 WeakPolarHBondContact O-CB 3.45Å; V563-N567 PolarHBondContact O-N 3.05Å; S564-N567 PolarHBondContact O-N 3.43Å; N567-R570 PolarHBondContact O-N 2.86Å; N567-R571 WeakPolarHBondContact O-CB 3.36Å; N567-R571 PolarHBondContact O-N 2.93Å
568N81.8Confident79.4Confident102 Ų102120.4 Ų120.455%0.54557%0.572SS.*Hα-helixtrans-67.9-38.6174.8-92.3-13.1000112.6S564 F565 R571 R572S564-N568 WeakPolarHBondContact O-CB 3.03Å; S564-N568 PolarHBondContact O-N 3.38Å; F565-N568 PolarHBondContact O-N 3Å; N568-R571 PolarHBondContact O-N 2.78Å; N568-R572 WeakPolarHBondContact O-CB 3.11Å; N568-R572 PolarHBondContact O-N 3.18Å
569T81.1Confident78.4Confident59 Ų59124.5 Ų124.536%0.36258%0.583SS.*Hα-helixtrans-67.6-37.9174.539.40000112.2F565 Q566 K573F565-T569 HydrophobicContact CD1-CG2 4.46Å; F565-T569 HydrophobicContact CE1-CG2 4.03Å; F565-T569 HydrophobicContact CZ-CG2 4.23Å; F565-T569 PolarHBondContact O-N 2.64Å; F565-T569 PolarHBondContact O-OG1 3.39Å; Q566-T569 WeakPolarHBondContact CA-OG1 3.17Å; Q566-T569 PolarHBondContact O-OG1 3.09Å; T569-K573 PolarHBondContact O-N 2.62Å; T569-K573 VanDerWaalsContact O-N 3.07Å
570R79.5Confident77.1Confident188 Ų188119.5 Ų119.571%0.70958%0.578SS**Hα-helixtrans-64.3-42.6170.6-82.4-177.8167.9177.4-3.3112.6Q566 N567 K573 A574Q566-R570 WeakPolarHBondContact O-CB 3.07Å; Q566-R570 PolarHBondContact O-N 2.84Å; N567-R570 PolarHBondContact O-N 2.86Å; R570-K573 PolarHBondContact O-N 2.82Å; R570-A574 WeakPolarHBondContact O-CB 3.07Å; R570-A574 PolarHBondContact O-N 3.24Å
571R79.3Confident75.8Confident181 Ų181121.1 Ų121.168%0.68359%0.586SS**Hα-helixtrans-64-41.4176.3-87.7-174.1160.6-178.5-4.6112.5N567 N568 A574 Q575N567-R571 WeakPolarHBondContact O-CB 3.36Å; N567-R571 PolarHBondContact O-N 2.93Å; N568-R571 PolarHBondContact O-N 2.78Å; R571-A574 PolarHBondContact O-N 2.79Å; R571-Q575 WeakPolarHBondContact O-CB 3.44Å; R571-Q575 WeakPolarHBondContact O-CG 3.4Å; R571-Q575 PolarHBondContact O-N 3.1Å
572R77.2Confident74.5Confident185 Ų185119.4 Ų119.470%0.69859%0.589SS**Hα-helixtrans-61.9-46.5174.8-82.1-174.7166169.9-3.9111.8N568 A574 Q575 E576N568-R572 WeakPolarHBondContact O-CB 3.11Å; N568-R572 PolarHBondContact O-N 3.18Å; R572-A574 PolarHBondContact O-N 2.88Å; R572-Q575 PolarHBondContact O-N 3.36Å; R572-E576 PolarHBondContact O-N 3.07Å
573K76.7Confident72.8Confident142 Ų142117.9 Ų117.962%0.61760%0.598SS**Hα-helixtrans-61.2-42.4174.7-76.7-172.2174-171.10112.8T569 R570 Q575 E576 E577T569-K573 PolarHBondContact O-N 2.62Å; T569-K573 VanDerWaalsContact O-N 3.07Å; R570-K573 PolarHBondContact O-N 2.82Å; K573-Q575 VanDerWaalsContact C-N 3.32Å; K573-Q575 PolarHBondContact O-N 3.44Å; K573-E576 PolarHBondContact O-N 3.15Å; K573-E577 WeakPolarHBondContact O-CB 3.34Å; K573-E577 PolarHBondContact O-N 2.84Å
574A75.6Confident70.9Confident47 Ų47119.2 Ų119.239%0.38861%0.611SS.*Hα-helixtrans-67.4-29.9177.100000113.2R570 R571 R572 K578R570-A574 WeakPolarHBondContact O-CB 3.07Å; R570-A574 PolarHBondContact O-N 3.24Å; R571-A574 PolarHBondContact O-N 2.79Å; R572-A574 PolarHBondContact O-N 2.88Å; A574-K578 WeakPolarHBondContact O-CB 3.46Å; A574-K578 WeakPolarHBondContact O-CG 3.48Å; A574-K578 PolarHBondContact O-N 3.04Å; A574-K578 VanDerWaalsContact O-N 3.12Å
575Q75Confident69.1Low133 Ų133125.9 Ų125.962%0.62163%0.632SS**Hα-helixtrans-77.3-34.9173.9-79.1-177.1-26.800112.5R571 R572 K573 K578 K579R571-Q575 WeakPolarHBondContact O-CB 3.44Å; R571-Q575 WeakPolarHBondContact O-CG 3.4Å; R571-Q575 PolarHBondContact O-N 3.1Å; R572-Q575 PolarHBondContact O-N 3.36Å; K573-Q575 VanDerWaalsContact C-N 3.32Å; K573-Q575 PolarHBondContact O-N 3.44Å; Q575-K578 PolarHBondContact O-N 2.74Å; Q575-K579 WeakPolarHBondContact O-CB 3.28Å; Q575-K579 WeakPolarHBondContact O-CG 3.49Å; Q575-K579 PolarHBondContact O-N 3.06Å
576E72.6Confident67.4Low137 Ų137128 Ų12864%0.6464%0.641SS**Hα-helixtrans-67.5-41.3172.4-79173.5167.700111.6R572 K573 K579 S580R572-E576 PolarHBondContact O-N 3.07Å; K573-E576 PolarHBondContact O-N 3.15Å; E576-K579 PolarHBondContact O-N 2.74Å; E576-S580 PolarHBondContact O-N 2.8Å; E576-S580 PolarHBondContact O-OG 3.2Å
577E67.4Low65.8Low137 Ų137132.3 Ų132.364%0.6465%0.654SS**Hα-helixtrans-67.3-33.7174.6-76.5177.517300112.8K573 S580 S581K573-E577 WeakPolarHBondContact O-CB 3.34Å; K573-E577 PolarHBondContact O-N 2.84Å; E577-S580 PolarHBondContact O-OG 2.95Å; E577-S581 WeakPolarHBondContact O-CB 3.22Å; E577-S581 PolarHBondContact O-N 3.11Å
578K65.5Low64.3Low162 Ų162138.1 Ų138.170%0.70468%0.675SS**Hα-helixtrans-74.3-29.4173.6-78.7-175.5177.3-172.90113.4A574 Q575 S582A574-K578 WeakPolarHBondContact O-CB 3.46Å; A574-K578 WeakPolarHBondContact O-CG 3.48Å; A574-K578 PolarHBondContact O-N 3.04Å; A574-K578 VanDerWaalsContact O-N 3.12Å; Q575-K578 PolarHBondContact O-N 2.74Å; K578-S582 PolarHBondContact O-OG 2.86Å
579K62.4Low62.8Low175 Ų175139.5 Ų139.576%0.76168%0.682SS**Hα-helixtrans-76.4-30.9173.7-80.8-175.4174.9-175.30112.7Q575 E576Q575-K579 WeakPolarHBondContact O-CB 3.28Å; Q575-K579 WeakPolarHBondContact O-CG 3.49Å; Q575-K579 PolarHBondContact O-N 3.06Å; E576-K579 PolarHBondContact O-N 2.74Å
580S59.6Low61.1Low91 Ų91145.5 Ų145.564%0.63670%0.704SS**Hα-helixtrans-80.1-26174.362.90000113.4E576 E577E576-S580 PolarHBondContact O-N 2.8Å; E576-S580 PolarHBondContact O-OG 3.2Å; E577-S580 PolarHBondContact O-OG 2.95Å
581S56.8Low59.9Low95 Ų95145.4 Ų145.466%0.66471%0.709SS**THydrogen-bonded Turntrans-82.5-12.5179.9172.60000115.4E577E577-S581 WeakPolarHBondContact O-CB 3.22Å; E577-S581 PolarHBondContact O-N 3.11Å
582S54.5Low58.2Low99 Ų99150.3 Ų150.369%0.69274%0.735SS**THydrogen-bonded Turntrans-103.84-175.350.20000114.8K578K578-S582 PolarHBondContact O-OG 2.86Å
583G47.7Very low57.3Low72 Ų72148.6 Ų148.674%0.74274%0.737SS**SBendtrans-99.2-1-176.100000117.1
584S45Very low56.2Low98 Ų98148.9 Ų148.969%0.68574%0.743SS**  trans-122.465.7-170.958.20000113.6
585K45.2Very low55.2Low202 Ų202154.6 Ų154.688%0.87876%0.763SS**  trans-16491.8160.3-110.5166.6-173.4172.30109.8
586K48.6Very low54Low187 Ų187155.8 Ų155.881%0.81377%0.771SS**  trans164.7141.9136.6-90.8178.1-174.9-175.60111.3
587Y48Very low52.9Low202 Ų202157 Ų15779%0.79278%0.779SS**  trans9091.4168.2-66.5-77000118.6
588K51.6Low51.9Low206 Ų206158.3 Ų158.390%0.89679%0.789SS**  trans-96.5104138.6-138.4178.3-172.4-179.60105.2
589D50.3Low50.9Low131 Ų131158.1 Ų158.170%0.70180%0.795SS**  trans-161.5129.1153.2-105.4-26.7000109.4
590F43.7Very low50Low185 Ų185156.8 Ų156.881%0.81180%0.797SS**SBendtrans73.1114.2165.2-82.1-92.1000123.2
591K54.3Low49.2Very low187 Ų187162.3 Ų162.381%0.81381%0.811SS**  trans73107.4137.7-128.1173.1-176175.90118.7
592F45Very low48.5Very low283 Ų283168.4 Ų168.4100%1.24182%0.824SS**  trans66.40179.7-80.8-75.5000117.5

Retrieved 592 of 592 residues in 198 ms (Link to these results)