A0A077YW87_TRITR Loading...

Cytoplasmic tRNA 2-thiolation protein 2

Plays a central role in 2-thiolation of mcm(5)S(2)U at tRNA wobble positions of tRNA(Lys), tRNA(Glu) and tRNA(Gln). May act by forming a heterodimer with NCS6/CTU1 that ligates sulfur from thiocarboxylated URM1 onto the uridine of tRNAs at wobble position.

AlphaFold DB , UniProt , Accession A0A077YW87, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 392 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
1M38.7Very low35.1Very low238 Ų238159.1 Ų159.1100%1.17281%0.81SS**  082.40-84.7174.9160.400108.7R3M1-R3 PolarHBondContact O-N 3.46Å
2H32.8Very low35.4Very low189 Ų189158.5 Ų158.588%0.87581%0.811SS**  trans-88106176.4-78.3-73.3000108.7Y4H2-Y4 PolarHBondContact O-N 2.93Å
3R33Very low36.6Very low229 Ų229155.2 Ų155.286%0.86480%0.802SS**  trans-65.9109171.1-79.5179.4172.6174.8-2.6108.4M1 N5M1-R3 PolarHBondContact O-N 3.46Å; R3-N5 PolarHBondContact O-N 3.42Å; R3-N5 VanDerWaalsContact O-N 3.16Å
4Y33.4Very low38.1Very low219 Ų219160.1 Ų160.186%0.85981%0.805SS**  trans-66.2103161-101.7-101.3000107.2H2 D6H2-Y4 PolarHBondContact O-N 2.93Å; Y4-D6 PolarHBondContact O-N 3.17Å
5N35.9Very low40Very low135 Ų135161.4 Ų161.472%0.72280%0.804SS**  trans-78.8107.4165.9-83.2-17.4000107R3 V7R3-N5 PolarHBondContact O-N 3.42Å; R3-N5 VanDerWaalsContact O-N 3.16Å; N5-V7 VanDerWaalsContact C-N 3.31Å; N5-V7 PolarHBondContact O-N 2.85Å
6D32.6Very low42.9Very low152 Ų152159.8 Ų159.881%0.81379%0.79SS**  trans-59.292.6166.8-78-41.9000109.4Y4 A8Y4-D6 PolarHBondContact O-N 3.17Å; D6-A8 PolarHBondContact O-N 3.47Å
7V34.5Very low45.8Very low114 Ų114156.5 Ų156.569%0.69178%0.776SS**  trans-77.780.6162-172.60000106.2N5 E9N5-V7 VanDerWaalsContact C-N 3.31Å; N5-V7 PolarHBondContact O-N 2.85Å; V7-E9 HydrophobicContact CG1-CG 3.97Å; V7-E9 PolarHBondContact O-N 2.86Å
8A35.1Very low48.5Very low82 Ų82147.9 Ų147.968%0.67873%0.733SS**  trans-68.477.116100000107.8D6 T10D6-A8 PolarHBondContact O-N 3.47Å; A8-T10 PolarHBondContact O-N 3.35Å
9E33.8Very low50.8Low168 Ų168144.4 Ų144.479%0.78572%0.72SS**  trans-60.289.2159.8-97.6177.4178.900106.8V7 S11V7-E9 HydrophobicContact CG1-CG 3.97Å; V7-E9 PolarHBondContact O-N 2.86Å; E9-S11 PolarHBondContact O-N 2.85Å
10T36.3Very low52.9Low129 Ų129143.2 Ų143.279%0.79171%0.71SS**  trans-61.985162.338.20000106.3A8 N12A8-T10 PolarHBondContact O-N 3.35Å; T10-N12 PolarHBondContact O-N 3.38Å
11S40Very low54.9Low95 Ų95138.6 Ų138.666%0.66469%0.692SS**  trans-45.7113.3172.952.90000107.4E9 V13E9-S11 PolarHBondContact O-N 2.85Å; S11-V13 PolarHBondContact O-N 2.8Å
12N39Very low57.4Low152 Ų152136.8 Ų136.881%0.81367%0.672SS**  trans-74.671.4-174.4-146.5-15.4000106.5T10 R14T10-N12 PolarHBondContact O-N 3.38Å; N12-R14 PolarHBondContact O-N 2.9Å
13V50.1Low60.2Low116 Ų116132.2 Ų132.270%0.70366%0.661SS**  trans-67.384177-1770000105.8S11 K15S11-V13 PolarHBondContact O-N 2.8Å; V13-K15 PolarHBondContact O-N 2.83Å
14R57.4Low62.9Low223 Ų223123.6 Ų123.684%0.84264%0.636SS**  trans-50.2106.1171.4-77.9-177.7174.3179.1-0.8106.4N12 K16N12-R14 PolarHBondContact O-N 2.9Å; R14-K16 PolarHBondContact O-N 2.72Å
15K67.9Low65.7Low180 Ų180116.2 Ų116.278%0.78362%0.616SS**  trans-54.5109.2178.8-74.1-178.5179.2176.30107.4V13 L17V13-K15 PolarHBondContact O-N 2.83Å; K15-L17 PolarHBondContact O-N 2.92Å
16K86.3Confident68.2Low136 Ų136110.9 Ų110.959%0.59159%0.592SS**PPolyproline II helixtrans-58133.6178.6-75.1-176.7176.1179.70108.5R14 A26R14-K16 PolarHBondContact O-N 2.72Å; K16-A26 HydrophobicContact CB-CB 4.47Å; K16-A26 VanDerWaalsContact O-CB 3.28Å; K16-A26 WeakPolarHBondContact O-CB 3.17Å; K16-A26 PolarHBondContact O-N 2.73Å
17L92Very high70.9Confident104 Ų104106.8 Ų106.855%0.54558%0.575SS.*BIsolated β-bridgetrans-80.5153.9173.8-67.2172.2000110.2K15 V19K15-L17 PolarHBondContact O-N 2.92Å; L17-V19 PolarHBondContact O-N 2.78Å
18C94.2Very high73.5Confident1 Ų1101.4 Ų101.41%0.00754%0.542CS..PPolyproline II helixtrans-61.2127.5174.7174.30000111.2K20 C21 R22 S24 S35 C37C18-K20 PolarHBondContact O-N 3.47Å; C18-K20 PolarHBondContact SG-N 3.43Å; C18-K20 VanDerWaalsContact SG-N 3.42Å; C18-C21 VanDerWaalsContact CB-SG 3.59Å; C18-R22 WeakPolarHBondContact O-CA 3.49Å; C18-R22 PolarHBondContact O-N 3.11Å; C18-S24 WeakPolarHBondContact CB-O 3.28Å; C18-S24 PolarHBondContact N-O 2.8Å; C18-S35 WeakPolarHBondContact CA-O 3.44Å; C18-C37 HydrophobicContact CB-CB 3.87Å; C18-C37 PolarHBondContact SG-N 2.85Å
19V92.9Very high76Confident81 Ų81100.8 Ų100.849%0.49153%0.53SS..THydrogen-bonded Turntrans-62.7-26.5-178.977.20000113.3L17 S35 Y36L17-V19 PolarHBondContact O-N 2.78Å; V19-S35 PolarHBondContact N-O 2.96Å; V19-Y36 HydrophobicContact CG1-CD1 3.99Å; V19-Y36 HydrophobicContact CG1-CE1 3.53Å; V19-Y36 HydrophobicContact CG1-CE2 4.43Å
20K92.5Very high78.5Confident120 Ų12093.1 Ų93.152%0.52249%0.494SS..THydrogen-bonded Turntrans-86.6-52.7-176-172.6171.5-173.6170.40113.6C18 Y36 C40C18-K20 PolarHBondContact O-N 3.47Å; C18-K20 PolarHBondContact SG-N 3.43Å; C18-K20 VanDerWaalsContact SG-N 3.42Å; K20-Y36 HydrophobicContact CB-CD1 4.24Å; K20-Y36 HydrophobicContact CB-CE1 4.25Å; K20-C40 HydrophobicContact CB-CB 4.02Å; K20-C40 HydrophobicContact CD-CB 4Å; K20-C40 HydrophobicContact CG-CB 4.41Å
21C94.7Very high80.4Confident47 Ų4789.8 Ų89.832%0.31847%0.47SS..THydrogen-bonded Turntrans-94.2-19.2-17968.20000113.9C18 S23C18-C21 VanDerWaalsContact CB-SG 3.59Å; C21-S23 PolarHBondContact O-N 3.15Å; C21-S23 PolarHBondContact SG-OG 3.35Å
22R90.9Very high82Confident200 Ų20093.1 Ų93.176%0.75547%0.474SS*.SBendtrans56.47.4-177.7-56.2-175.8178.6-173.2-1116.1C18C18-R22 WeakPolarHBondContact O-CA 3.49Å; C18-R22 PolarHBondContact O-N 3.11Å
23S91.2Very high83.8Confident93 Ų9393 Ų9365%0.6547%0.467SS*.SBendtrans-113.4-29.1-175.857.60000113.8C21C21-S23 PolarHBondContact O-N 3.15Å; C21-S23 PolarHBondContact SG-OG 3.35Å
24S91.2Very high85.5Confident48 Ų4891.6 Ų91.634%0.33645%0.452SS..SBendtrans-100.9150.3-178.8-49.70000111.3C18 A26C18-S24 WeakPolarHBondContact CB-O 3.28Å; C18-S24 PolarHBondContact N-O 2.8Å; S24-A26 PolarHBondContact O-N 2.55Å
25S90.6Very high87.1Confident64 Ų6481.5 Ų81.545%0.44842%0.416SS..BIsolated β-bridgetrans-58.8135.2168.955.50000110.7C37S25-C37 WeakPolarHBondContact O-CB 3.48Å
26A89.1Confident88.3Confident24 Ų2473.8 Ų73.820%0.19838%0.382CS..PPolyproline II helixtrans-75.8128.1172.400000110K16 S24 S35 Y36K16-A26 HydrophobicContact CB-CB 4.47Å; K16-A26 VanDerWaalsContact O-CB 3.28Å; K16-A26 WeakPolarHBondContact O-CB 3.17Å; K16-A26 PolarHBondContact O-N 2.73Å; S24-A26 PolarHBondContact O-N 2.55Å; A26-S35 VanDerWaalsContact CB-CB 3.44Å; A26-Y36 CarbonylContact C-O 3.56Å; A26-Y36 WeakPolarHBondContact CA-O 3.35Å
27S89.4Confident88.7Confident66 Ų6667.6 Ų67.646%0.46236%0.356SS..  trans-117.9-12.8178.4-52.60000112Y36 F258S27-Y36 PolarHBondContact N-O 3.24Å; S27-F258 WeakPolarHBondContact O-CZ 3.43Å
28V89.4Confident88.7Confident1 Ų165 Ų651%0.00634%0.344CS..EExtended strand (participates in β ladder)trans-116.7119.4178.9-1680000107.4L30 S35 Y36 V38 F41 L254 F258V28-L30 HydrophobicContact CG1-CD2 4.1Å; V28-L30 HydrophobicContact CG1-CG 4.45Å; V28-S35 CarbonylContact O-C 3.54Å; V28-S35 WeakPolarHBondContact O-CA 3.33Å; V28-Y36 PolarHBondContact N-O 3.03Å; V28-Y36 PolarHBondContact O-N 2.89Å; V28-V38 HydrophobicContact CG2-CG2 4.35Å; V28-F41 HydrophobicContact CB-CB 4.38Å; V28-F41 HydrophobicContact CB-CD1 4.42Å; V28-F41 HydrophobicContact CB-CG 4.33Å; V28-F41 HydrophobicContact CG1-CB 4.5Å; V28-F41 HydrophobicContact CG1-CD1 3.88Å; V28-F41 HydrophobicContact CG1-CD2 4.16Å; V28-F41 HydrophobicContact CG1-CE1 4.09Å; V28-F41 HydrophobicContact CG1-CE2 4.37Å; V28-F41 HydrophobicContact CG1-CG 3.92Å; V28-F41 HydrophobicContact CG1-CZ 4.34Å; V28-F41 HydrophobicContact CG2-CB 4.06Å; V28-F41 HydrophobicContact CG2-CD1 3.98Å; V28-F41 HydrophobicContact CG2-CG 4.17Å; V28-L254 HydrophobicContact CG1-CB 4.47Å; V28-L254 HydrophobicContact CG1-CD1 4.02Å; V28-F258 HydrophobicContact CB-CE2 4.27Å; V28-F258 HydrophobicContact CG1-CD2 4.49Å; V28-F258 HydrophobicContact CG1-CE2 4.21Å; V28-F258 HydrophobicContact CG2-CD2 3.72Å; V28-F258 HydrophobicContact CG2-CE2 3.59Å; V28-F258 HydrophobicContact CG2-CG 4.31Å; V28-F258 HydrophobicContact CG2-CZ 4.05Å
29V87.8Confident88.7Confident69 Ų6967.6 Ų67.642%0.41836%0.362SS..EExtended strand (participates in β ladder)trans-112.4125.9173.2-177.60000107.1E34V29-E34 WeakPolarHBondContact CA-O 3.24Å
30L85.5Confident88.8Confident6 Ų664.1 Ų64.13%0.03134%0.342CS..EExtended strand (participates in β ladder)trans-108.4129.9178.2-60.5178.3000109.4V28 Q32 K33 E34 Y36 F41 E251 L254V28-L30 HydrophobicContact CG1-CD2 4.1Å; V28-L30 HydrophobicContact CG1-CG 4.45Å; L30-Q32 PolarHBondContact O-N 2.91Å; L30-K33 PolarHBondContact O-N 2.77Å; L30-E34 PolarHBondContact N-O 2.88Å; L30-E34 PolarHBondContact O-N 3.38Å; L30-Y36 HydrophobicContact CD1-CD2 4.12Å; L30-Y36 HydrophobicContact CD1-CE2 3.95Å; L30-Y36 HydrophobicContact CG-CD2 4.48Å; L30-F41 HydrophobicContact CD1-CD2 4.16Å; L30-F41 HydrophobicContact CD1-CE2 3.91Å; L30-F41 HydrophobicContact CD2-CE2 4.02Å; L30-F41 HydrophobicContact CD2-CZ 4.42Å; L30-F41 HydrophobicContact CG-CE2 4.45Å; L30-E251 HydrophobicContact CD1-CG 4.45Å; L30-E251 HydrophobicContact CD2-CG 4.08Å; L30-L254 HydrophobicContact CD2-CD1 3.46Å; L30-L254 VanDerWaalsContact CD2-CD1 3.46Å
31Q76Confident88.9Confident60 Ų6058.4 Ų58.428%0.2832%0.317SS..THydrogen-bonded Turntrans50.632173.4-55.4-179-9.400113.3K33 E250 S298Q31-K33 WeakPolarHBondContact O-CG 3.39Å; Q31-K33 PolarHBondContact O-N 2.92Å; Q31-E250 PolarHBondContact N-OE1 3.27Å; Q31-E250 PolarHBondContact N-OE2 2.88Å; Q31-S298 VanDerWaalsContact CD-CB 3.48Å; Q31-S298 PolarHBondContact OE1-OG 2.97Å
32Q74.1Confident88.7Confident164 Ų16460 Ų6077%0.76632%0.32SS*.THydrogen-bonded Turntrans58.43.1-176.3-51.9177.86.100116.3L30L30-Q32 PolarHBondContact O-N 2.91Å
33K76.7Confident88.8Confident149 Ų14957.1 Ų57.165%0.64831%0.313SS*.THydrogen-bonded Turntrans-108-57.1-173.4-71.5174.5-175.3171.70112.3L30 Q31 S298L30-K33 PolarHBondContact O-N 2.77Å; Q31-K33 WeakPolarHBondContact O-CG 3.39Å; Q31-K33 PolarHBondContact O-N 2.92Å; K33-S298 PolarHBondContact NZ-OG 3.07Å
34E85Confident88.9Confident87 Ų8755.1 Ų55.141%0.40729%0.292SS..EExtended strand (participates in β ladder)trans-99.1128.8-171.7-58.8-173.7156.700111.1V29 L30 Y36 K44V29-E34 WeakPolarHBondContact CA-O 3.24Å; L30-E34 PolarHBondContact N-O 2.88Å; L30-E34 PolarHBondContact O-N 3.38Å; E34-Y36 HydrophobicContact CB-CD2 4.25Å; E34-Y36 HydrophobicContact CB-CE2 3.44Å; E34-Y36 VanDerWaalsContact CB-CE2 3.44Å; E34-Y36 VanDerWaalsContact CD-OH 3.27Å; E34-Y36 HydrophobicContact CG-CE2 4.4Å; E34-Y36 VanDerWaalsContact OE2-CE2 3.24Å; E34-Y36 WeakPolarHBondContact OE2-CE2 3.43Å; E34-Y36 VanDerWaalsContact OE2-CZ 3.29Å; E34-Y36 PolarHBondContact OE2-OH 2.75Å; E34-K44 IonicContact OE2-NZ 2.8Å; E34-K44 PolarHBondContact OE2-NZ 2.82Å
35S91.3Very high89Confident11 Ų1152.9 Ų52.98%0.07728%0.277CS..EExtended strand (participates in β ladder)trans-114.2123.7179.4-49.10000110.8C18 V19 A26 V28C18-S35 WeakPolarHBondContact CA-O 3.44Å; V19-S35 PolarHBondContact N-O 2.96Å; A26-S35 VanDerWaalsContact CB-CB 3.44Å; V28-S35 CarbonylContact O-C 3.54Å; V28-S35 WeakPolarHBondContact O-CA 3.33Å
36Y93.8Very high89Confident18 Ų1851.1 Ų51.17%0.07126%0.264CS..EExtended strand (participates in β ladder)trans-121.1148.9-177.6-63.2-88000111.5V19 K20 A26 S27 V28 L30 E34 C40 K44V19-Y36 HydrophobicContact CG1-CD1 3.99Å; V19-Y36 HydrophobicContact CG1-CE1 3.53Å; V19-Y36 HydrophobicContact CG1-CE2 4.43Å; K20-Y36 HydrophobicContact CB-CD1 4.24Å; K20-Y36 HydrophobicContact CB-CE1 4.25Å; A26-Y36 CarbonylContact C-O 3.56Å; A26-Y36 WeakPolarHBondContact CA-O 3.35Å; S27-Y36 PolarHBondContact N-O 3.24Å; V28-Y36 PolarHBondContact N-O 3.03Å; V28-Y36 PolarHBondContact O-N 2.89Å; L30-Y36 HydrophobicContact CD1-CD2 4.12Å; L30-Y36 HydrophobicContact CD1-CE2 3.95Å; L30-Y36 HydrophobicContact CG-CD2 4.48Å; E34-Y36 HydrophobicContact CB-CD2 4.25Å; E34-Y36 HydrophobicContact CB-CE2 3.44Å; E34-Y36 VanDerWaalsContact CB-CE2 3.44Å; E34-Y36 VanDerWaalsContact CD-OH 3.27Å; E34-Y36 HydrophobicContact CG-CE2 4.4Å; E34-Y36 VanDerWaalsContact OE2-CE2 3.24Å; E34-Y36 WeakPolarHBondContact OE2-CE2 3.43Å; E34-Y36 VanDerWaalsContact OE2-CZ 3.29Å; E34-Y36 PolarHBondContact OE2-OH 2.75Å; Y36-C40 HydrophobicContact CD1-CB 4.3Å; Y36-K44 HydrophobicContact CE1-CD 4.1Å; Y36-K44 HydrophobicContact CE2-CD 4.17Å; Y36-K44 PolarHBondContact OH-NZ 3.33Å; Y36-K44 VanDerWaalsContact OH-NZ 3.11Å
37C94.4Very high89.1Confident6 Ų655.1 Ų55.14%0.04128%0.279CS..  trans-75.6158.1158.969.60000109.4C18 S25 S39 C40 F41C18-C37 HydrophobicContact CB-CB 3.87Å; C18-C37 PolarHBondContact SG-N 2.85Å; S25-C37 WeakPolarHBondContact O-CB 3.48Å; C37-S39 VanDerWaalsContact C-N 3.3Å; C37-S39 PolarHBondContact O-N 2.9Å; C37-S39 PolarHBondContact SG-OG 3.38Å; C37-S39 VanDerWaalsContact SG-OG 3.35Å; C37-C40 PolarHBondContact O-N 3.16Å; C37-C40 VanDerWaalsContact O-N 3.15Å; C37-F41 PolarHBondContact O-N 3.11Å
38V92.8Very high89.3Confident49 Ų4953.8 Ų53.830%0.29726%0.264SS..Hα-helixtrans-53.5-45.5-176.5176.40000111.9V28 C40 F41 Q42 F258 F259V28-V38 HydrophobicContact CG2-CG2 4.35Å; V38-C40 PolarHBondContact O-N 3.22Å; V38-F41 PolarHBondContact O-N 3Å; V38-Q42 PolarHBondContact O-N 3.25Å; V38-F258 HydrophobicContact CG1-CB 4.13Å; V38-F258 HydrophobicContact CG2-CD1 3.7Å; V38-F258 HydrophobicContact CG2-CE1 4.08Å; V38-F258 HydrophobicContact CG2-CG 4.26Å; V38-F259 HydrophobicContact CG1-CD1 4.43Å; V38-F259 HydrophobicContact CG1-CE1 3.48Å; V38-F259 VanDerWaalsContact CG1-CE1 3.48Å; V38-F259 HydrophobicContact CG1-CZ 3.83Å; V38-F259 WeakPolarHBondContact O-CZ 3.26Å
39S93.6Very high89.6Confident56 Ų5653.9 Ų53.939%0.39227%0.265SS..Hα-helixtrans-66.4-36.9-178.666.10000113.6C37 K43C37-S39 VanDerWaalsContact C-N 3.3Å; C37-S39 PolarHBondContact O-N 2.9Å; C37-S39 PolarHBondContact SG-OG 3.38Å; C37-S39 VanDerWaalsContact SG-OG 3.35Å; S39-K43 WeakPolarHBondContact O-CG 3.23Å; S39-K43 PolarHBondContact O-N 3.19Å
40C95.2Very high89.8Confident8 Ų853.4 Ų53.45%0.05426%0.256CS..Hα-helixtrans-72.5-37.6176.4-780000111.9K20 Y36 C37 V38 K43 K44K20-C40 HydrophobicContact CB-CB 4.02Å; K20-C40 HydrophobicContact CD-CB 4Å; K20-C40 HydrophobicContact CG-CB 4.41Å; Y36-C40 HydrophobicContact CD1-CB 4.3Å; C37-C40 PolarHBondContact O-N 3.16Å; C37-C40 VanDerWaalsContact O-N 3.15Å; V38-C40 PolarHBondContact O-N 3.22Å; C40-K43 PolarHBondContact O-N 3.44Å; C40-K44 WeakPolarHBondContact O-CB 3.22Å; C40-K44 PolarHBondContact O-N 2.94Å
41F94.2Very high90Very high0 Ų055.2 Ų55.20%027%0.268CS..Hα-helixtrans-62.5-46173.5178.8-123.7000110.9V28 L30 C37 V38 K43 K44 S45 L254 F255 F259V28-F41 HydrophobicContact CB-CB 4.38Å; V28-F41 HydrophobicContact CB-CD1 4.42Å; V28-F41 HydrophobicContact CB-CG 4.33Å; V28-F41 HydrophobicContact CG1-CB 4.5Å; V28-F41 HydrophobicContact CG1-CD1 3.88Å; V28-F41 HydrophobicContact CG1-CD2 4.16Å; V28-F41 HydrophobicContact CG1-CE1 4.09Å; V28-F41 HydrophobicContact CG1-CE2 4.37Å; V28-F41 HydrophobicContact CG1-CG 3.92Å; V28-F41 HydrophobicContact CG1-CZ 4.34Å; V28-F41 HydrophobicContact CG2-CB 4.06Å; V28-F41 HydrophobicContact CG2-CD1 3.98Å; V28-F41 HydrophobicContact CG2-CG 4.17Å; L30-F41 HydrophobicContact CD1-CD2 4.16Å; L30-F41 HydrophobicContact CD1-CE2 3.91Å; L30-F41 HydrophobicContact CD2-CE2 4.02Å; L30-F41 HydrophobicContact CD2-CZ 4.42Å; L30-F41 HydrophobicContact CG-CE2 4.45Å; C37-F41 PolarHBondContact O-N 3.11Å; V38-F41 PolarHBondContact O-N 3Å; F41-K43 PolarHBondContact O-N 3.44Å; F41-K44 WeakPolarHBondContact O-CA 3.36Å; F41-K44 WeakPolarHBondContact O-CB 3.43Å; F41-K44 PolarHBondContact O-N 3.39Å; F41-S45 WeakPolarHBondContact CE2-OG 3.37Å; F41-S45 PolarHBondContact O-N 3.25Å; F41-S45 PolarHBondContact O-OG 3Å; F41-L254 HydrophobicContact CE1-CB 4.03Å; F41-L254 HydrophobicContact CZ-CB 4.08Å; F41-F255 HydrophobicContact CE1-CB 4.42Å; F41-F259 AromaticContact CD1-CE2 3.48Å; F41-F259 HydrophobicContact CD1-CE2 3.48Å; F41-F259 VanDerWaalsContact CD1-CE2 3.48Å; F41-F259 AromaticContact CD1-CZ 3.8Å; F41-F259 HydrophobicContact CD1-CZ 3.8Å; F41-F259 AromaticContact CE1-CE2 3.73Å; F41-F259 HydrophobicContact CE1-CE2 3.73Å; F41-F259 HydrophobicContact CE1-CZ 4.48Å
42Q91.3Very high90.8Very high82 Ų8252.4 Ų52.438%0.38326%0.256SS..Hα-helixtrans-54.5-51175.5-162.1-178.82.100111.9V38 K44 S45 S46 F259V38-Q42 PolarHBondContact O-N 3.25Å; Q42-K44 VanDerWaalsContact C-N 3.27Å; Q42-K44 PolarHBondContact O-N 3.28Å; Q42-S45 PolarHBondContact O-N 2.69Å; Q42-S46 PolarHBondContact O-N 3.32Å; Q42-S46 PolarHBondContact O-OG 3.27Å; Q42-F259 HydrophobicContact CB-CD1 4.31Å; Q42-F259 HydrophobicContact CB-CE1 3.45Å; Q42-F259 VanDerWaalsContact CB-CE1 3.45Å; Q42-F259 HydrophobicContact CB-CE2 4.25Å; Q42-F259 HydrophobicContact CB-CZ 3.44Å; Q42-F259 VanDerWaalsContact CB-CZ 3.44Å; Q42-F259 HydrophobicContact CG-CD1 3.94Å; Q42-F259 HydrophobicContact CG-CE1 3.58Å; Q42-F259 HydrophobicContact CG-CE2 4.44Å; Q42-F259 HydrophobicContact CG-CZ 3.9Å
43K91.4Very high91.6Very high138 Ų13844.7 Ų44.760%0.622%0.22SC*.Hα-helixtrans-61.5-36.6178.1-70.6172.7-176.1176.40111.8S39 C40 F41 H47S39-K43 WeakPolarHBondContact O-CG 3.23Å; S39-K43 PolarHBondContact O-N 3.19Å; C40-K43 PolarHBondContact O-N 3.44Å; F41-K43 PolarHBondContact O-N 3.44Å; K43-H47 WeakPolarHBondContact O-CB 3.36Å; K43-H47 PolarHBondContact O-N 2.95Å
44K93.2Very high92.1Very high51 Ų5139.3 Ų39.322%0.22221%0.207CC..Hα-helixtrans-64.7-51175.8-176-175.5177.7-173.70110.1E34 Y36 C40 F41 Q42 H47 K48E34-K44 IonicContact OE2-NZ 2.8Å; E34-K44 PolarHBondContact OE2-NZ 2.82Å; Y36-K44 HydrophobicContact CE1-CD 4.1Å; Y36-K44 HydrophobicContact CE2-CD 4.17Å; Y36-K44 PolarHBondContact OH-NZ 3.33Å; Y36-K44 VanDerWaalsContact OH-NZ 3.11Å; C40-K44 WeakPolarHBondContact O-CB 3.22Å; C40-K44 PolarHBondContact O-N 2.94Å; F41-K44 WeakPolarHBondContact O-CA 3.36Å; F41-K44 WeakPolarHBondContact O-CB 3.43Å; F41-K44 PolarHBondContact O-N 3.39Å; Q42-K44 VanDerWaalsContact C-N 3.27Å; Q42-K44 PolarHBondContact O-N 3.28Å; K44-H47 PolarHBondContact O-N 2.85Å; K44-K48 WeakPolarHBondContact O-CB 3.4Å; K44-K48 PolarHBondContact O-N 3.24Å
45S93.6Very high92.2Very high2 Ų241.5 Ų41.51%0.01421%0.211CC..Hα-helixtrans-63.1-49.5-179.3-57.10000112.1F41 Q42 H47 K48 F49F41-S45 WeakPolarHBondContact CE2-OG 3.37Å; F41-S45 PolarHBondContact O-N 3.25Å; F41-S45 PolarHBondContact O-OG 3Å; Q42-S45 PolarHBondContact O-N 2.69Å; S45-H47 VanDerWaalsContact C-N 3.26Å; S45-H47 PolarHBondContact O-N 3.19Å; S45-K48 PolarHBondContact O-N 3.03Å; S45-F49 PolarHBondContact O-N 3.34Å
46S90.7Very high92Very high26 Ų2644.2 Ų44.218%0.18222%0.222CC..Hα-helixtrans-63-32.4175.8-550000112.6Q42 R50Q42-S46 PolarHBondContact O-N 3.32Å; Q42-S46 PolarHBondContact O-OG 3.27Å; S46-R50 WeakPolarHBondContact O-CB 3.11Å; S46-R50 WeakPolarHBondContact O-CG 3.46Å; S46-R50 PolarHBondContact O-N 3.49Å; S46-R50 PolarHBondContact O-NE 3.18Å
47H91.5Very high91.7Very high108 Ų10849.4 Ų49.450%0.525%0.246SC..Hα-helixtrans-69.1-46.7173.3179-83.6000111.9K43 K44 S45 R50 S51K43-H47 WeakPolarHBondContact O-CB 3.36Å; K43-H47 PolarHBondContact O-N 2.95Å; K44-H47 PolarHBondContact O-N 2.85Å; S45-H47 VanDerWaalsContact C-N 3.26Å; S45-H47 PolarHBondContact O-N 3.19Å; H47-R50 PolarHBondContact O-N 3.03Å; H47-S51 VanDerWaalsContact O-CB 3.23Å; H47-S51 WeakPolarHBondContact O-CB 3.48Å; H47-S51 PolarHBondContact O-N 2.88Å
48K94.5Very high91.3Very high38 Ų3851 Ų5117%0.16525%0.253CS..Hα-helixtrans-58.1-50.3179.6-171.9175.5-178.4-1790111.1K44 S45 R50 S51 A52 E246 F247 E251K44-K48 WeakPolarHBondContact O-CB 3.4Å; K44-K48 PolarHBondContact O-N 3.24Å; S45-K48 PolarHBondContact O-N 3.03Å; K48-R50 PolarHBondContact O-N 3.35Å; K48-S51 PolarHBondContact O-N 2.91Å; K48-A52 PolarHBondContact O-N 3.31Å; K48-E246 VanDerWaalsContact CE-C 3.49Å; K48-E246 WeakPolarHBondContact CE-O 2.93Å; K48-E246 HydrophobicContact CG-CB 4.48Å; K48-E246 PolarHBondContact NZ-O 3.3Å; K48-F247 HydrophobicContact CB-CE1 4.47Å; K48-F247 HydrophobicContact CB-CE2 4.17Å; K48-F247 HydrophobicContact CB-CZ 3.76Å; K48-F247 HydrophobicContact CD-CD1 4.29Å; K48-F247 HydrophobicContact CD-CD2 4.31Å; K48-F247 HydrophobicContact CD-CE1 3.96Å; K48-F247 HydrophobicContact CD-CE2 3.99Å; K48-F247 HydrophobicContact CD-CG 4.47Å; K48-F247 HydrophobicContact CD-CZ 3.82Å; K48-F247 HydrophobicContact CG-CD2 4.46Å; K48-F247 HydrophobicContact CG-CE1 4.46Å; K48-F247 HydrophobicContact CG-CE2 3.8Å; K48-F247 HydrophobicContact CG-CZ 3.81Å; K48-E251 VanDerWaalsContact NZ-CD 3.28Å; K48-E251 IonicContact NZ-OE1 3.04Å; K48-E251 PolarHBondContact NZ-OE1 3.27Å; K48-E251 IonicContact NZ-OE2 2.71Å; K48-E251 PolarHBondContact NZ-OE2 2.85Å
49F94.5Very high91.1Very high3 Ų349.5 Ų49.51%0.01324%0.243CC..Hα-helixtrans-57.3-52175.9-178.9-91.3000112.6S45 S51 A52 M53 L78 M81 V82 A85 L94 P243 L244 F247S45-F49 PolarHBondContact O-N 3.34Å; F49-S51 VanDerWaalsContact C-N 3.31Å; F49-S51 PolarHBondContact O-N 3.19Å; F49-A52 PolarHBondContact O-N 2.65Å; F49-M53 HydrophobicContact CD1-CG 4.38Å; F49-M53 HydrophobicContact CE1-CG 4.04Å; F49-M53 HydrophobicContact CZ-CG 4.15Å; F49-M53 WeakPolarHBondContact O-CG 3.39Å; F49-M53 PolarHBondContact O-N 2.71Å; F49-L78 HydrophobicContact CE2-CD1 4.1Å; F49-M81 HydrophobicContact CB-SD 3.95Å; F49-M81 HydrophobicContact CD1-CB 4.24Å; F49-M81 HydrophobicContact CD2-CB 3.6Å; F49-M81 HydrophobicContact CD2-CG 4.2Å; F49-M81 HydrophobicContact CD2-SD 3.61Å; F49-M81 HydrophobicContact CE1-CB 4.31Å; F49-M81 HydrophobicContact CE2-CB 3.64Å; F49-M81 HydrophobicContact CE2-SD 4.41Å; F49-M81 HydrophobicContact CG-CB 3.9Å; F49-M81 HydrophobicContact CG-CG 4.45Å; F49-M81 HydrophobicContact CG-SD 4.03Å; F49-M81 HydrophobicContact CZ-CB 4.02Å; F49-V82 HydrophobicContact CZ-CG2 3.96Å; F49-A85 HydrophobicContact CD1-CB 4.13Å; F49-A85 HydrophobicContact CE1-CB 3.7Å; F49-L94 HydrophobicContact CE1-CD1 4.1Å; F49-P243 HydrophobicContact CD2-CB 4Å; F49-P243 HydrophobicContact CE2-CB 3.39Å; F49-P243 HydrophobicContact CE2-CG 4.35Å; F49-P243 HydrophobicContact CZ-CB 4.06Å; F49-L244 HydrophobicContact CD2-CD2 4.38Å; F49-F247 HydrophobicContact CB-CE2 4.23Å; F49-F247 HydrophobicContact CB-CZ 4.15Å
50R91.4Very high90.5Very high60 Ų6054.9 Ų54.923%0.22626%0.255CS..Hα-helixtrans-66-33.9179.9-69.9-179.6-39.793.312.7112.8S46 H47 K48 G54S46-R50 WeakPolarHBondContact O-CB 3.11Å; S46-R50 WeakPolarHBondContact O-CG 3.46Å; S46-R50 PolarHBondContact O-N 3.49Å; S46-R50 PolarHBondContact O-NE 3.18Å; H47-R50 PolarHBondContact O-N 3.03Å; K48-R50 PolarHBondContact O-N 3.35Å; R50-G54 WeakPolarHBondContact O-CA 3.38Å; R50-G54 PolarHBondContact O-N 3.04Å
51S91.7Very high90.1Very high43 Ų4359.6 Ų59.630%0.30128%0.283SS..Hα-helixtrans-65.8-44.8176.4-172.80000110H47 K48 F49 R55H47-S51 VanDerWaalsContact O-CB 3.23Å; H47-S51 WeakPolarHBondContact O-CB 3.48Å; H47-S51 PolarHBondContact O-N 2.88Å; K48-S51 PolarHBondContact O-N 2.91Å; F49-S51 VanDerWaalsContact C-N 3.31Å; F49-S51 PolarHBondContact O-N 3.19Å; S51-R55 VanDerWaalsContact O-CG 3.26Å; S51-R55 WeakPolarHBondContact O-CG 3.41Å; S51-R55 PolarHBondContact O-N 3.48Å; S51-R55 PolarHBondContact O-NE 3.26Å
52A91.9Very high89.8Confident1 Ų164.6 Ų64.61%0.00831%0.306CS..Hα-helixtrans-58.6-49.8175.600000111.6K48 F49 M230K48-A52 PolarHBondContact O-N 3.31Å; F49-A52 PolarHBondContact O-N 2.65Å; A52-M230 HydrophobicContact CB-CE 4.32Å; A52-M230 HydrophobicContact CB-SD 4.46Å
53M91.9Very high89.8Confident3 Ų361.4 Ų61.42%0.01529%0.293CS..Hα-helixtrans-73.3-35-178.6-65.8-65.6-87.300113.9F49 F59 L94 M96 L200 M230 L241 P243F49-M53 HydrophobicContact CD1-CG 4.38Å; F49-M53 HydrophobicContact CE1-CG 4.04Å; F49-M53 HydrophobicContact CZ-CG 4.15Å; F49-M53 WeakPolarHBondContact O-CG 3.39Å; F49-M53 PolarHBondContact O-N 2.71Å; M53-F59 HydrophobicContact CE-CD2 4.28Å; M53-F59 HydrophobicContact CE-CE2 3.35Å; M53-F59 HydrophobicContact CE-CZ 3.91Å; M53-L94 HydrophobicContact CB-CD1 3.56Å; M53-L94 HydrophobicContact CG-CD1 4.1Å; M53-M96 HydrophobicContact CE-CE 3.8Å; M53-L200 HydrophobicContact CE-CD2 3.98Å; M53-L200 HydrophobicContact CE-CG 4.43Å; M53-M230 HydrophobicContact CG-CE 4.26Å; M53-M230 HydrophobicContact SD-CE 3.32Å; M53-M230 WeakPolarHBondContact SD-CE 3.28Å; M53-L241 HydrophobicContact CE-CD1 4.24Å; M53-P243 HydrophobicContact CE-CB 4.48Å; M53-P243 HydrophobicContact CE-CG 3.99Å; M53-P243 HydrophobicContact CG-CB 4.22Å; M53-P243 HydrophobicContact SD-CB 3.71Å; M53-P243 HydrophobicContact SD-CG 3.63Å
54G86.7Confident89.8Confident36 Ų3656.2 Ų56.237%0.37127%0.274SS..Hα-helixtrans-76.6-28.9-174.300000113.9R50 E56 K57R50-G54 WeakPolarHBondContact O-CA 3.38Å; R50-G54 PolarHBondContact O-N 3.04Å; G54-E56 PolarHBondContact O-N 2.97Å; G54-K57 PolarHBondContact O-N 3.5Å
55R87Confident90Very high132 Ų13253.8 Ų53.850%0.49826%0.263SS..Hα-helixtrans-59.4-34.7175.1-79.1-177.4-54.9-150.73.5112.2S51 K57 E246S51-R55 VanDerWaalsContact O-CG 3.26Å; S51-R55 WeakPolarHBondContact O-CG 3.41Å; S51-R55 PolarHBondContact O-N 3.48Å; S51-R55 PolarHBondContact O-NE 3.26Å; R55-K57 VanDerWaalsContact C-N 3.34Å; R55-K57 PolarHBondContact O-N 3.09Å; R55-E246 IonicContact CZ-OE1 3.55Å; R55-E246 IonicContact NH1-OE1 3.49Å; R55-E246 PolarHBondContact NH1-OE1 3.29Å; R55-E246 IonicContact NH2-OE1 2.69Å; R55-E246 PolarHBondContact NH2-OE1 2.98Å; R55-E246 IonicContact NH2-OE2 4Å
56E86.7Confident90.2Very high68 Ų6853.7 Ų53.732%0.31826%0.262SS..THydrogen-bonded Turntrans-78.1-16.7-177.4-56.2-46.4143.900114G54 L58 M230 I231G54-E56 PolarHBondContact O-N 2.97Å; E56-L58 HydrophobicContact CB-CD1 3.99Å; E56-L58 HydrophobicContact CB-CG 3.88Å; E56-L58 PolarHBondContact O-N 3.31Å; E56-L58 VanDerWaalsContact O-N 3.13Å; E56-M230 HydrophobicContact CG-CG 4.07Å; E56-I231 HydrophobicContact CB-CD1 3.88Å; E56-I231 HydrophobicContact CG-CD1 3.71Å; E56-I231 HydrophobicContact CG-CG1 3.98Å; E56-I231 WeakPolarHBondContact OE2-CD1 3.46Å
57K86.7Confident90.6Very high128 Ų12852.5 Ų52.556%0.55725%0.254SS*.THydrogen-bonded Turntrans5331.9177.1-52.6-179.8-172.7174.70114.9G54 R55 R60G54-K57 PolarHBondContact O-N 3.5Å; R55-K57 VanDerWaalsContact C-N 3.34Å; R55-K57 PolarHBondContact O-N 3.09Å; K57-R60 PolarHBondContact O-NH1 3.46Å; K57-R60 VanDerWaalsContact O-NH1 3.1Å
58L87.1Confident90.8Very high39 Ų3947.5 Ų47.520%0.20423%0.231CC..  trans-77.1-36.7-177.9-60.6173000112.9E56 R60 F198 I231 L241E56-L58 HydrophobicContact CB-CD1 3.99Å; E56-L58 HydrophobicContact CB-CG 3.88Å; E56-L58 PolarHBondContact O-N 3.31Å; E56-L58 VanDerWaalsContact O-N 3.13Å; L58-R60 PolarHBondContact O-N 2.86Å; L58-F198 HydrophobicContact CB-CE1 4.12Å; L58-F198 HydrophobicContact CB-CZ 4.07Å; L58-F198 HydrophobicContact CD1-CD1 4.41Å; L58-F198 HydrophobicContact CD1-CE1 3.92Å; L58-F198 HydrophobicContact CD2-CE1 4.16Å; L58-F198 HydrophobicContact CD2-CZ 4.45Å; L58-F198 HydrophobicContact CG-CE1 4.28Å; L58-I231 HydrophobicContact CD1-CD1 4.1Å; L58-L241 HydrophobicContact CD1-CD1 3.87Å; L58-L241 HydrophobicContact CD1-CD2 3.5Å; L58-L241 VanDerWaalsContact CD1-CD2 3.5Å; L58-L241 HydrophobicContact CD1-CG 4.33Å
59F87.3Confident90.9Very high17 Ų1745.7 Ų45.78%0.07522%0.223CC..  trans-95.948.9-172.1-54.7-71.1000113.9M53 V65 M96 F198 L241M53-F59 HydrophobicContact CE-CD2 4.28Å; M53-F59 HydrophobicContact CE-CE2 3.35Å; M53-F59 HydrophobicContact CE-CZ 3.91Å; F59-V65 HydrophobicContact CD1-CG1 4.39Å; F59-V65 HydrophobicContact CE1-CG1 3.47Å; F59-V65 VanDerWaalsContact CE1-CG1 3.47Å; F59-V65 HydrophobicContact CZ-CG1 4.09Å; F59-M96 HydrophobicContact CD1-CB 4.16Å; F59-M96 HydrophobicContact CD2-CE 4.18Å; F59-M96 HydrophobicContact CE1-CB 4.36Å; F59-M96 HydrophobicContact CE2-CE 4.14Å; F59-M96 HydrophobicContact CG-CE 4.5Å; F59-M96 HydrophobicContact CZ-CE 4.4Å; F59-F198 AromaticContact CE1-CD2 3.92Å; F59-F198 HydrophobicContact CE1-CD2 3.92Å; F59-F198 HydrophobicContact CE1-CE2 4.24Å; F59-F198 HydrophobicContact CE1-CG 4.25Å; F59-F198 HydrophobicContact CZ-CG 4.42Å; F59-L241 HydrophobicContact CE2-CD1 4.04Å; F59-L241 HydrophobicContact CZ-CD1 3.65Å
60R82.1Confident90.8Very high170 Ų17046.8 Ų46.864%0.64223%0.231SC*.SBendtrans-73.6-35.2175.5-68.9-175.1176.9108.6-16.9112.4K57 L58 K95K57-R60 PolarHBondContact O-NH1 3.46Å; K57-R60 VanDerWaalsContact O-NH1 3.1Å; L58-R60 PolarHBondContact O-N 2.86Å; R60-K95 WeakPolarHBondContact O-CD 3.42Å; R60-K95 PolarHBondContact O-NZ 2.81Å; R60-K95 VanDerWaalsContact O-NZ 3.08Å
61V86Confident91Very high107 Ų10744 Ų4465%0.64822%0.221SC*.SBendtrans-109.2148.5173.6-178.10000107.5S63V61-S63 PolarHBondContact O-N 2.81Å; V61-S63 PolarHBondContact O-OG 3.07Å
62E88.1Confident91.1Very high104 Ų10443.8 Ų43.849%0.48622%0.219SC..  trans-60.3112.4175.4-168.8166.1-130.400109.9R93 K95 R97E62-R93 IonicContact OE1-CZ 3.92Å; E62-R93 IonicContact OE1-NH2 2.99Å; E62-R93 PolarHBondContact OE1-NH2 2.85Å; E62-K95 VanDerWaalsContact CA-O 3.31Å; E62-K95 WeakPolarHBondContact CA-O 3.44Å; E62-K95 HydrophobicContact CB-CB 4.16Å; E62-R97 HydrophobicContact CG-CB 4.49Å
63S91Very high91.2Very high16 Ų1644.8 Ų44.811%0.11223%0.228CC..EExtended strand (participates in β ladder)trans-117.6130.9-173.7-51.90000109.1V61 K95 M96 R97V61-S63 PolarHBondContact O-N 2.81Å; V61-S63 PolarHBondContact O-OG 3.07Å; S63-K95 PolarHBondContact N-O 3.23Å; S63-M96 WeakPolarHBondContact O-CA 3.14Å; S63-R97 PolarHBondContact O-N 3.16Å
64P93.4Very high91.5Very high29 Ų2945.1 Ų45.119%0.18823%0.23CC..EExtended strand (participates in β ladder)trans-72.9139174.436.3-37.6000109.3R97 L196P64-R97 VanDerWaalsContact CA-O 3.27Å; P64-R97 WeakPolarHBondContact CA-O 3.35Å; P64-L196 HydrophobicContact CB-CD2 3.44Å; P64-L196 VanDerWaalsContact CB-CD2 3.44Å; P64-L196 HydrophobicContact CG-CD2 3.7Å
65V96.9Very high91.9Very high0 Ų043.4 Ų43.40%021%0.213CC..EExtended strand (participates in β ladder)trans-130.7135.2-175.4-55.30000110.7F59 V67 M96 R97 P98 V99 F198 L200F59-V65 HydrophobicContact CD1-CG1 4.39Å; F59-V65 HydrophobicContact CE1-CG1 3.47Å; F59-V65 VanDerWaalsContact CE1-CG1 3.47Å; F59-V65 HydrophobicContact CZ-CG1 4.09Å; V65-V67 HydrophobicContact CG2-CG2 4.13Å; V65-M96 HydrophobicContact CG1-CB 4.09Å; V65-M96 HydrophobicContact CG2-CB 4.13Å; V65-R97 PolarHBondContact N-O 2.96Å; V65-P98 HydrophobicContact CG2-CB 4.23Å; V65-P98 CarbonylContact O-C 3.58Å; V65-V99 PolarHBondContact O-N 3.5Å; V65-F198 HydrophobicContact CB-CB 4.33Å; V65-F198 HydrophobicContact CG1-CB 3.96Å; V65-F198 HydrophobicContact CG1-CD2 4.29Å; V65-F198 HydrophobicContact CG1-CG 4.5Å; V65-L200 HydrophobicContact CB-CD1 3.85Å; V65-L200 HydrophobicContact CG1-CD1 4.24Å; V65-L200 HydrophobicContact CG2-CD1 4.29Å; V65-L200 HydrophobicContact CG2-CD2 4.49Å
66L98.3Very high92.3Very high0 Ų037.2 Ų37.20%019%0.19CC..EExtended strand (participates in β ladder)trans-83.1131.8171.5-166.762.8000109.2V99 V101 L187 L190 A191 L194 L196 F198 V199 L200L66-V99 CarbonylContact C-O 3.56Å; L66-V99 WeakPolarHBondContact CA-O 3.38Å; L66-V99 HydrophobicContact CD1-CG1 4.24Å; L66-V101 HydrophobicContact CD1-CB 4.06Å; L66-V101 HydrophobicContact CD1-CG1 3.65Å; L66-V101 HydrophobicContact CD2-CG1 4.12Å; L66-V101 HydrophobicContact CG-CG1 3.87Å; L66-L187 HydrophobicContact CD2-CD2 4.13Å; L66-L190 HydrophobicContact CD2-CB 3.97Å; L66-A191 HydrophobicContact CD2-CB 4.42Å; L66-L194 HydrophobicContact CD1-CD1 4.22Å; L66-L196 HydrophobicContact CB-CD1 3.65Å; L66-L196 HydrophobicContact CD1-CD1 3.83Å; L66-L196 HydrophobicContact CG-CD1 4.24Å; L66-F198 PolarHBondContact N-O 3.16Å; L66-V199 HydrophobicContact CB-CG1 4.5Å; L66-V199 HydrophobicContact CB-CG2 4.16Å; L66-V199 HydrophobicContact CD2-CG2 4.21Å; L66-V199 CarbonylContact O-C 3.51Å; L66-V199 WeakPolarHBondContact O-CA 3.46Å; L66-L200 PolarHBondContact O-N 3.48Å
67V98Very high92.8Very high0 Ų034 Ų340%017%0.174CC..EExtended strand (participates in β ladder)trans-124119175.7-174.70000108.8V65 L78 V82 P98 V99 F100 V101 L200V65-V67 HydrophobicContact CG2-CG2 4.13Å; V67-L78 HydrophobicContact CG1-CD2 3.78Å; V67-L78 HydrophobicContact CG1-CG 3.97Å; V67-V82 HydrophobicContact CG2-CG1 4.46Å; V67-P98 HydrophobicContact CG2-CB 4.31Å; V67-V99 PolarHBondContact N-O 2.93Å; V67-F100 HydrophobicContact CB-CD1 3.61Å; V67-F100 HydrophobicContact CB-CE1 3.8Å; V67-F100 HydrophobicContact CG1-CD1 3.92Å; V67-F100 HydrophobicContact CG1-CE1 3.89Å; V67-F100 HydrophobicContact CG2-CD1 4.3Å; V67-F100 HydrophobicContact CG2-CE1 4.08Å; V67-F100 WeakPolarHBondContact O-CA 3.41Å; V67-V101 PolarHBondContact O-N 2.71Å; V67-L200 HydrophobicContact CG2-CB 4.25Å; V67-L200 HydrophobicContact CG2-CD2 4.31Å
68E96.1Very high93.3Very high4 Ų427.9 Ų27.92%0.01915%0.148CC..EExtended strand (participates in β ladder)trans-71.9129.3174-170.6-165165.600110.1V101 K183 L187 L200E68-V101 CarbonylContact C-O 3.6Å; E68-V101 WeakPolarHBondContact CA-O 3.49Å; E68-K183 WeakPolarHBondContact OE1-CD 2.95Å; E68-K183 WeakPolarHBondContact OE1-CE 3.44Å; E68-K183 IonicContact OE1-NZ 3.86Å; E68-K183 PolarHBondContact OE1-NZ 2.72Å; E68-K183 WeakPolarHBondContact OE2-CE 3.36Å; E68-K183 IonicContact OE2-NZ 3.07Å; E68-K183 PolarHBondContact OE2-NZ 3.02Å; E68-L187 HydrophobicContact CB-CD1 4.47Å; E68-L187 HydrophobicContact CB-CD2 4.32Å; E68-L187 HydrophobicContact CG-CD2 4.44Å; E68-L200 PolarHBondContact N-O 2.92Å
69V95.5Very high93.7Very high0 Ų026.1 Ų26.10%014%0.139CC..  trans-115.994.5176.5-67.60000110.5V79 F100 V101 H102 V122V69-V79 HydrophobicContact CG1-CG2 3.34Å; V69-F100 HydrophobicContact CG1-CB 4.21Å; V69-F100 HydrophobicContact CG1-CD1 3.68Å; V69-F100 HydrophobicContact CG1-CG 4.33Å; V69-F100 HydrophobicContact CG2-CB 4.37Å; V69-V101 VanDerWaalsContact CG2-C 3.48Å; V69-V101 WeakPolarHBondContact CG2-O 3.26Å; V69-V101 PolarHBondContact N-O 3.4Å; V69-H102 HydrophobicContact CG2-CB 4.1Å; V69-H102 PolarHBondContact O-ND1 2.89Å; V69-V122 HydrophobicContact CG1-CG2 4.29Å
70S94.3Very high94Very high26 Ų2625.5 Ų25.518%0.18214%0.136CC..  trans-86-15.9-177.863.80000113.9S72 S75 D202S70-S72 VanDerWaalsContact C-N 3.28Å; S70-S72 WeakPolarHBondContact OG-CB 3.05Å; S70-S72 PolarHBondContact OG-N 3.19Å; S70-S72 PolarHBondContact OG-OG 3.37Å; S70-S72 VanDerWaalsContact OG-OG 3.14Å; S70-S75 PolarHBondContact N-OG 3.44Å; S70-S75 WeakPolarHBondContact OG-CB 3.26Å; S70-S75 PolarHBondContact OG-OG 3.39Å; S70-D202 PolarHBondContact OG-OD2 3.21Å
71G94Very high94.6Very high1 Ų117.7 Ų17.71%0.0111%0.107CC..SBendtrans88.1-10.6-170.100000113.3S75 T265 F266G71-S75 PolarHBondContact N-OG 3.08Å; G71-T265 CarbonylContact O-C 3.49Å; G71-T265 WeakPolarHBondContact O-CA 3.39Å; G71-T265 PolarHBondContact O-OG1 2.87Å; G71-F266 CarbonylContact C-O 3.54Å; G71-F266 WeakPolarHBondContact CA-O 3.32Å; G71-F266 PolarHBondContact O-N 3.28Å
72S94.2Very high95Very high39 Ų3912.6 Ų12.627%0.2738%0.076SC..SBendtrans-58.1157.1173.281.20000111.6S70 A74 S75 V76 D202S70-S72 VanDerWaalsContact C-N 3.28Å; S70-S72 WeakPolarHBondContact OG-CB 3.05Å; S70-S72 PolarHBondContact OG-N 3.19Å; S70-S72 PolarHBondContact OG-OG 3.37Å; S70-S72 VanDerWaalsContact OG-OG 3.14Å; S72-A74 PolarHBondContact O-N 3.11Å; S72-A74 PolarHBondContact OG-N 3.44Å; S72-S75 PolarHBondContact N-OG 3.1Å; S72-S75 PolarHBondContact O-N 3.08Å; S72-S75 VanDerWaalsContact O-N 3.1Å; S72-S75 PolarHBondContact O-OG 2.99Å; S72-S75 PolarHBondContact OG-N 3.02Å; S72-S75 PolarHBondContact OG-OG 3.23Å; S72-V76 WeakPolarHBondContact O-CG2 3.42Å; S72-V76 PolarHBondContact O-N 3.21Å; S72-D202 PolarHBondContact OG-OD2 3.2Å
73A95.1Very high95.2Very high22 Ų228.4 Ų8.418%0.1826%0.057CC..Hα-helixtrans-56.8-37.1174.400000112.8S77 N256 I264A73-S77 WeakPolarHBondContact O-CB 3.25Å; A73-S77 PolarHBondContact O-N 3.49Å; A73-N256 PolarHBondContact O-ND2 3.18Å; A73-I264 VanDerWaalsContact CA-O 3.23Å; A73-I264 WeakPolarHBondContact CA-O 3.46Å; A73-I264 HydrophobicContact CB-CG2 4.14Å; A73-I264 WeakPolarHBondContact CB-O 3.46Å
74A96.5Very high95.1Very high9 Ų99.8 Ų9.87%0.0747%0.065CC..Hα-helixtrans-65.7-43.5175.900000112S72 V76 S77 L78 D202 T204 L244 V252S72-A74 PolarHBondContact O-N 3.11Å; S72-A74 PolarHBondContact OG-N 3.44Å; A74-V76 PolarHBondContact O-N 3.13Å; A74-S77 WeakPolarHBondContact O-CB 3.49Å; A74-S77 PolarHBondContact O-N 3.04Å; A74-L78 WeakPolarHBondContact O-CB 3.34Å; A74-L78 PolarHBondContact O-N 3.15Å; A74-D202 HydrophobicContact CB-CB 4.02Å; A74-D202 WeakPolarHBondContact CB-O 3.17Å; A74-T204 HydrophobicContact CB-CG2 3.65Å; A74-L244 HydrophobicContact CB-CD1 4.12Å; A74-L244 VanDerWaalsContact O-CD1 3.22Å; A74-L244 WeakPolarHBondContact O-CD1 3.42Å; A74-V252 HydrophobicContact CB-CG2 4.32Å
75S96.3Very high95Very high0 Ų08.6 Ų8.60%06%0.057CC..Hα-helixtrans-64.6-41.3177.971.90000112.3S70 G71 S72 S77 L78 V79 D202S70-S75 PolarHBondContact N-OG 3.44Å; S70-S75 WeakPolarHBondContact OG-CB 3.26Å; S70-S75 PolarHBondContact OG-OG 3.39Å; G71-S75 PolarHBondContact N-OG 3.08Å; S72-S75 PolarHBondContact N-OG 3.1Å; S72-S75 PolarHBondContact O-N 3.08Å; S72-S75 VanDerWaalsContact O-N 3.1Å; S72-S75 PolarHBondContact O-OG 2.99Å; S72-S75 PolarHBondContact OG-N 3.02Å; S72-S75 PolarHBondContact OG-OG 3.23Å; S75-S77 VanDerWaalsContact C-N 3.35Å; S75-S77 PolarHBondContact O-N 2.88Å; S75-L78 WeakPolarHBondContact O-CB 3.42Å; S75-L78 PolarHBondContact O-N 2.97Å; S75-V79 VanDerWaalsContact O-CG2 3.31Å; S75-V79 WeakPolarHBondContact O-CG2 3.19Å; S75-V79 PolarHBondContact O-N 2.71Å; S75-D202 WeakPolarHBondContact CB-OD2 3.39Å; S75-D202 PolarHBondContact N-OD2 3.24Å
76V95.7Very high94.6Very high2 Ų28.6 Ų8.61%0.0126%0.057CC..Hα-helixtrans-64.8-41.4176.7175.90000110.7S72 A74 V79 N80 Y121 F266S72-V76 WeakPolarHBondContact O-CG2 3.42Å; S72-V76 PolarHBondContact O-N 3.21Å; A74-V76 PolarHBondContact O-N 3.13Å; V76-V79 PolarHBondContact O-N 3.02Å; V76-N80 PolarHBondContact O-N 3.28Å; V76-N80 PolarHBondContact O-ND2 2.89Å; V76-Y121 HydrophobicContact CG1-CE1 4.35Å; V76-F266 HydrophobicContact CG2-CD2 3.58Å; V76-F266 HydrophobicContact CG2-CE2 3.84Å
77S96Very high94Very high0 Ų013.9 Ų13.90%09%0.086CC..Hα-helixtrans-61.6-43.2172.3-91.50000112A73 A74 S75 N80 M81 V252 F255 N256A73-S77 WeakPolarHBondContact O-CB 3.25Å; A73-S77 PolarHBondContact O-N 3.49Å; A74-S77 WeakPolarHBondContact O-CB 3.49Å; A74-S77 PolarHBondContact O-N 3.04Å; S75-S77 VanDerWaalsContact C-N 3.35Å; S75-S77 PolarHBondContact O-N 2.88Å; S77-N80 PolarHBondContact O-N 2.75Å; S77-M81 WeakPolarHBondContact O-CB 3.4Å; S77-M81 VanDerWaalsContact O-CG 3.26Å; S77-M81 WeakPolarHBondContact O-CG 3.18Å; S77-M81 PolarHBondContact O-N 3.32Å; S77-V252 WeakPolarHBondContact OG-CA 2.97Å; S77-V252 WeakPolarHBondContact OG-CB 3.26Å; S77-V252 PolarHBondContact OG-O 3Å; S77-F255 WeakPolarHBondContact OG-CD1 3.41Å; S77-N256 WeakPolarHBondContact CA-OD1 3.48Å; S77-N256 WeakPolarHBondContact CB-OD1 3.28Å; S77-N256 PolarHBondContact N-OD1 3.49Å; S77-N256 VanDerWaalsContact OG-CG 3.27Å; S77-N256 PolarHBondContact OG-ND2 3.48Å; S77-N256 PolarHBondContact OG-OD1 3.39Å
78L96.9Very high93.1Very high0 Ų016.8 Ų16.80%010%0.1CC..Hα-helixtrans-61.2-47.9178.7179.460.2000111F49 V67 A74 S75 N80 M81 V82 L200 D202 P243 L244F49-L78 HydrophobicContact CE2-CD1 4.1Å; V67-L78 HydrophobicContact CG1-CD2 3.78Å; V67-L78 HydrophobicContact CG1-CG 3.97Å; A74-L78 WeakPolarHBondContact O-CB 3.34Å; A74-L78 PolarHBondContact O-N 3.15Å; S75-L78 WeakPolarHBondContact O-CB 3.42Å; S75-L78 PolarHBondContact O-N 2.97Å; L78-N80 PolarHBondContact O-N 2.85Å; L78-M81 PolarHBondContact O-N 3.13Å; L78-V82 HydrophobicContact CD1-CG2 3.93Å; L78-V82 HydrophobicContact CG-CG2 4.34Å; L78-V82 VanDerWaalsContact O-CB 3.26Å; L78-V82 WeakPolarHBondContact O-CB 3.44Å; L78-V82 VanDerWaalsContact O-CG2 3.23Å; L78-V82 WeakPolarHBondContact O-CG2 3.22Å; L78-V82 PolarHBondContact O-N 3.25Å; L78-L200 HydrophobicContact CD2-CB 4.28Å; L78-D202 HydrophobicContact CD2-CB 4.11Å; L78-P243 HydrophobicContact CD1-CB 3.97Å; L78-P243 HydrophobicContact CD1-CG 3.83Å; L78-L244 HydrophobicContact CB-CD1 3.95Å; L78-L244 HydrophobicContact CB-CG 4.45Å; L78-L244 HydrophobicContact CD1-CG 4.36Å
79V95.3Very high92.2Very high2 Ų225.8 Ų25.81%0.01214%0.139CC..Hα-helixtrans-52.7-55174.5170.80000110V69 S75 V76 M81 V82 L83 F100 Y121 V122V69-V79 HydrophobicContact CG1-CG2 3.34Å; S75-V79 VanDerWaalsContact O-CG2 3.31Å; S75-V79 WeakPolarHBondContact O-CG2 3.19Å; S75-V79 PolarHBondContact O-N 2.71Å; V76-V79 PolarHBondContact O-N 3.02Å; V79-M81 PolarHBondContact O-N 2.82Å; V79-V82 PolarHBondContact O-N 3.05Å; V79-L83 HydrophobicContact CG1-CD1 3.7Å; V79-L83 HydrophobicContact CG1-CG 4.41Å; V79-L83 VanDerWaalsContact O-CG 3.22Å; V79-L83 WeakPolarHBondContact O-CG 3.45Å; V79-L83 PolarHBondContact O-N 2.67Å; V79-F100 HydrophobicContact CB-CE1 4.16Å; V79-F100 HydrophobicContact CG1-CE1 4Å; V79-F100 HydrophobicContact CG1-CZ 4.09Å; V79-F100 HydrophobicContact CG2-CD1 3.99Å; V79-F100 HydrophobicContact CG2-CE1 3.71Å; V79-Y121 HydrophobicContact CG1-CE1 4.44Å; V79-V122 HydrophobicContact CG1-CG2 4.46Å
80N94.3Very high91.1Very high4 Ų434 Ų342%0.02118%0.178CC..Hα-helixtrans-62.4-42.5-177.4-75.4-41.8000113.1V76 S77 L78 L83 V84 Y121 F255 H260V76-N80 PolarHBondContact O-N 3.28Å; V76-N80 PolarHBondContact O-ND2 2.89Å; S77-N80 PolarHBondContact O-N 2.75Å; L78-N80 PolarHBondContact O-N 2.85Å; N80-L83 PolarHBondContact O-N 3.47Å; N80-V84 WeakPolarHBondContact O-CB 3.23Å; N80-V84 VanDerWaalsContact O-CG2 3.25Å; N80-V84 WeakPolarHBondContact O-CG2 3.4Å; N80-V84 PolarHBondContact O-N 2.91Å; N80-Y121 PolarHBondContact ND2-OH 3.02Å; N80-Y121 PolarHBondContact OD1-OH 3.38Å; N80-F255 HydrophobicContact CB-CE1 3.91Å; N80-H260 PolarHBondContact OD1-ND1 3.47Å
81M94.5Very high90.1Very high6 Ų645 Ų453%0.0322%0.215CC..Hα-helixtrans-68.8-36.8178.5-69.6-173.7-165.600112.3F49 S77 L78 V79 A85 L244 F247 F255F49-M81 HydrophobicContact CB-SD 3.95Å; F49-M81 HydrophobicContact CD1-CB 4.24Å; F49-M81 HydrophobicContact CD2-CB 3.6Å; F49-M81 HydrophobicContact CD2-CG 4.2Å; F49-M81 HydrophobicContact CD2-SD 3.61Å; F49-M81 HydrophobicContact CE1-CB 4.31Å; F49-M81 HydrophobicContact CE2-CB 3.64Å; F49-M81 HydrophobicContact CE2-SD 4.41Å; F49-M81 HydrophobicContact CG-CB 3.9Å; F49-M81 HydrophobicContact CG-CG 4.45Å; F49-M81 HydrophobicContact CG-SD 4.03Å; F49-M81 HydrophobicContact CZ-CB 4.02Å; S77-M81 WeakPolarHBondContact O-CB 3.4Å; S77-M81 VanDerWaalsContact O-CG 3.26Å; S77-M81 WeakPolarHBondContact O-CG 3.18Å; S77-M81 PolarHBondContact O-N 3.32Å; L78-M81 PolarHBondContact O-N 3.13Å; V79-M81 PolarHBondContact O-N 2.82Å; M81-A85 WeakPolarHBondContact O-CB 3.29Å; M81-A85 PolarHBondContact O-N 3.38Å; M81-L244 HydrophobicContact CE-CD2 4.47Å; M81-L244 HydrophobicContact SD-CD2 3.8Å; M81-F247 HydrophobicContact CE-CD1 4.14Å; M81-F247 HydrophobicContact CE-CE1 3.63Å; M81-F247 HydrophobicContact CE-CZ 3.95Å; M81-F247 HydrophobicContact SD-CE1 4.18Å; M81-F247 HydrophobicContact SD-CE2 4.32Å; M81-F247 HydrophobicContact SD-CZ 3.87Å; M81-F255 HydrophobicContact CE-CB 4.23Å; M81-F255 HydrophobicContact CE-CD1 3.64Å; M81-F255 HydrophobicContact CE-CD2 3.76Å; M81-F255 HydrophobicContact CE-CE1 3.85Å; M81-F255 HydrophobicContact CE-CE2 3.98Å; M81-F255 HydrophobicContact CE-CG 3.59Å; M81-F255 HydrophobicContact CE-CZ 4.02Å; M81-F255 HydrophobicContact CG-CD1 4.46Å; M81-F255 HydrophobicContact CG-CE1 3.76Å; M81-F255 HydrophobicContact CG-CE2 4.39Å; M81-F255 HydrophobicContact CG-CZ 3.72Å
82V94.4Very high89.3Confident0 Ų051.1 Ų51.10%024%0.241CC..Hα-helixtrans-62.1-50.1173.3160.50000110.3F49 V67 L78 V79 A85 A86 M96 P98 L200F49-V82 HydrophobicContact CZ-CG2 3.96Å; V67-V82 HydrophobicContact CG2-CG1 4.46Å; L78-V82 HydrophobicContact CD1-CG2 3.93Å; L78-V82 HydrophobicContact CG-CG2 4.34Å; L78-V82 VanDerWaalsContact O-CB 3.26Å; L78-V82 WeakPolarHBondContact O-CB 3.44Å; L78-V82 VanDerWaalsContact O-CG2 3.23Å; L78-V82 WeakPolarHBondContact O-CG2 3.22Å; L78-V82 PolarHBondContact O-N 3.25Å; V79-V82 PolarHBondContact O-N 3.05Å; V82-A85 PolarHBondContact O-N 3.47Å; V82-A86 VanDerWaalsContact O-CB 3.25Å; V82-A86 WeakPolarHBondContact O-CB 3.43Å; V82-A86 PolarHBondContact O-N 3.04Å; V82-M96 HydrophobicContact CB-SD 4.27Å; V82-M96 HydrophobicContact CG1-SD 3.72Å; V82-M96 HydrophobicContact CG2-SD 4.19Å; V82-P98 HydrophobicContact CG1-CB 3.81Å; V82-P98 HydrophobicContact CG1-CG 3.99Å; V82-L200 HydrophobicContact CG2-CD2 3.71Å
83L91.9Very high88.9Confident16 Ų1653.4 Ų53.48%0.08424%0.244CC..Hα-helixtrans-60.2-49.6178.6-66.8166.1000111.4V79 N80 A85 A86 D87 F100 T125 Y127V79-L83 HydrophobicContact CG1-CD1 3.7Å; V79-L83 HydrophobicContact CG1-CG 4.41Å; V79-L83 VanDerWaalsContact O-CG 3.22Å; V79-L83 WeakPolarHBondContact O-CG 3.45Å; V79-L83 PolarHBondContact O-N 2.67Å; N80-L83 PolarHBondContact O-N 3.47Å; L83-A85 VanDerWaalsContact C-N 3.27Å; L83-A85 PolarHBondContact O-N 3.31Å; L83-A86 PolarHBondContact O-N 3.04Å; L83-D87 WeakPolarHBondContact O-CB 3.49Å; L83-D87 PolarHBondContact O-N 2.78Å; L83-F100 HydrophobicContact CD2-CE2 4.39Å; L83-F100 HydrophobicContact CD2-CZ 4.2Å; L83-F100 HydrophobicContact CG-CZ 4.4Å; L83-T125 HydrophobicContact CD1-CG2 3.42Å; L83-T125 VanDerWaalsContact CD1-CG2 3.42Å; L83-T125 HydrophobicContact CD2-CG2 4.06Å; L83-T125 HydrophobicContact CG-CG2 4.39Å; L83-Y127 HydrophobicContact CD2-CD2 3.46Å; L83-Y127 VanDerWaalsContact CD2-CD2 3.46Å; L83-Y127 HydrophobicContact CD2-CE2 3.49Å; L83-Y127 VanDerWaalsContact CD2-CE2 3.49Å
84V90.2Very high88.5Confident46 Ų4653.2 Ų53.228%0.27924%0.24SC..Hα-helixtrans-58.6-40.8177.4169.50000111.3N80 M88N80-V84 WeakPolarHBondContact O-CB 3.23Å; N80-V84 VanDerWaalsContact O-CG2 3.25Å; N80-V84 WeakPolarHBondContact O-CG2 3.4Å; N80-V84 PolarHBondContact O-N 2.91Å; V84-M88 WeakPolarHBondContact O-CG 3.42Å; V84-M88 PolarHBondContact O-N 3.11Å
85A90.7Very high88.2Confident3 Ų357.4 Ų57.43%0.02526%0.257CS..Hα-helixtrans-73.4-32.6179.700000113.4F49 M81 V82 L83 L94F49-A85 HydrophobicContact CD1-CB 4.13Å; F49-A85 HydrophobicContact CE1-CB 3.7Å; M81-A85 WeakPolarHBondContact O-CB 3.29Å; M81-A85 PolarHBondContact O-N 3.38Å; V82-A85 PolarHBondContact O-N 3.47Å; L83-A85 VanDerWaalsContact C-N 3.27Å; L83-A85 PolarHBondContact O-N 3.31Å; A85-L94 HydrophobicContact CB-CB 4.37Å; A85-L94 HydrophobicContact CB-CD1 3.9Å; A85-L94 HydrophobicContact CB-CG 4.24Å; A85-L94 PolarHBondContact O-N 3.11Å
86A88.6Confident88Confident0 Ų057.4 Ų57.40%026%0.257CS..Hα-helixtrans-73.9-32.4176.400000112.2V82 L83 R93 M96V82-A86 VanDerWaalsContact O-CB 3.25Å; V82-A86 WeakPolarHBondContact O-CB 3.43Å; V82-A86 PolarHBondContact O-N 3.04Å; L83-A86 PolarHBondContact O-N 3.04Å; A86-R93 WeakPolarHBondContact O-CD 3.24Å; A86-R93 VanDerWaalsContact O-CG 3.26Å; A86-R93 WeakPolarHBondContact O-CG 3.4Å; A86-R93 PolarHBondContact O-NE 3.43Å; A86-M96 HydrophobicContact CB-CG 3.91Å
87D85.1Confident87.9Confident111 Ų11164.1 Ų64.159%0.59428%0.281SS*.SBendtrans-94.71.7-176.2-67.1-12.9000113.8L83L83-D87 WeakPolarHBondContact O-CB 3.49Å; L83-D87 PolarHBondContact O-N 2.78Å
88M80.5Confident87.9Confident62 Ų6264.1 Ų64.131%0.30528%0.281SS..SBendtrans-65159.3177.8-60.3-158.178.800112.7V84 K92 R93V84-M88 WeakPolarHBondContact O-CG 3.42Å; V84-M88 PolarHBondContact O-N 3.11Å; M88-K92 HydrophobicContact CE-CB 4.22Å; M88-K92 HydrophobicContact CE-CD 4.32Å; M88-K92 HydrophobicContact SD-CB 4.04Å; M88-R93 HydrophobicContact CB-CB 4.48Å; M88-R93 WeakPolarHBondContact O-CB 3.39Å; M88-R93 WeakPolarHBondContact O-CD 3.32Å
89K76.8Confident87.9Confident192 Ų19264.8 Ų64.884%0.83529%0.286SS*.  trans-56.5143168.6-61.9-174.8178.4-173.50111.5R91 K92 R93K89-R91 VanDerWaalsContact C-N 3.34Å; K89-R91 PolarHBondContact O-N 3.13Å; K89-K92 PolarHBondContact O-N 3.34Å; K89-R93 PolarHBondContact O-N 3.35Å
90E71.3Confident87.9Confident174 Ų17464.7 Ų64.781%0.81329%0.285SS*.G310 helixtrans-41.6-48.1-165.5-68.3-171161.700116K92 R93E90-K92 PolarHBondContact O-N 2.92Å; E90-K92 VanDerWaalsContact O-N 3.11Å; E90-R93 PolarHBondContact O-N 3.17Å
91R74Confident88Confident255 Ų25564.6 Ų64.696%0.96228%0.284SS*.G310 helixtrans-61.7-22.4-176.9-80.2-164-95.7-174.3-8.2114.9K89K89-R91 VanDerWaalsContact C-N 3.34Å; K89-R91 PolarHBondContact O-N 3.13Å
92K78Confident88.1Confident131 Ų13164.3 Ų64.357%0.5728%0.283SS*.G310 helixtrans-116.7-2.5-179.7-64.3-177.3-178.1177.60112.9M88 K89 E90M88-K92 HydrophobicContact CE-CB 4.22Å; M88-K92 HydrophobicContact CE-CD 4.32Å; M88-K92 HydrophobicContact SD-CB 4.04Å; K89-K92 PolarHBondContact O-N 3.34Å; E90-K92 PolarHBondContact O-N 2.92Å; E90-K92 VanDerWaalsContact O-N 3.11Å
93R84.9Confident88.2Confident86 Ų8664.5 Ų64.533%0.32528%0.284SS..  trans-68.6128.2-178.3-168.2175.9173.9-153.3-12.4109.3E62 A86 M88 K89 E90E62-R93 IonicContact OE1-CZ 3.92Å; E62-R93 IonicContact OE1-NH2 2.99Å; E62-R93 PolarHBondContact OE1-NH2 2.85Å; A86-R93 WeakPolarHBondContact O-CD 3.24Å; A86-R93 VanDerWaalsContact O-CG 3.26Å; A86-R93 WeakPolarHBondContact O-CG 3.4Å; A86-R93 PolarHBondContact O-NE 3.43Å; M88-R93 HydrophobicContact CB-CB 4.48Å; M88-R93 WeakPolarHBondContact O-CB 3.39Å; M88-R93 WeakPolarHBondContact O-CD 3.32Å; K89-R93 PolarHBondContact O-N 3.35Å; E90-R93 PolarHBondContact O-N 3.17Å
94L87.5Confident88.3Confident19 Ų1963.9 Ų63.910%0.09928%0.281CS..  trans-82.3117.6161.8-63.4-179.7000106.2F49 M53 A85 M96F49-L94 HydrophobicContact CE1-CD1 4.1Å; M53-L94 HydrophobicContact CB-CD1 3.56Å; M53-L94 HydrophobicContact CG-CD1 4.1Å; A85-L94 HydrophobicContact CB-CB 4.37Å; A85-L94 HydrophobicContact CB-CD1 3.9Å; A85-L94 HydrophobicContact CB-CG 4.24Å; A85-L94 PolarHBondContact O-N 3.11Å; L94-M96 HydrophobicContact CB-CE 3.6Å; L94-M96 HydrophobicContact CD1-CE 3.67Å; L94-M96 HydrophobicContact CG-CE 4.29Å; L94-M96 PolarHBondContact O-N 2.89Å
95K90.2Very high88.5Confident97 Ų9762.1 Ų62.142%0.42227%0.269SS..  trans-75.974.9-176.9-56.7-174.4-172.7170.20109.8R60 E62 S63R60-K95 WeakPolarHBondContact O-CD 3.42Å; R60-K95 PolarHBondContact O-NZ 2.81Å; R60-K95 VanDerWaalsContact O-NZ 3.08Å; E62-K95 VanDerWaalsContact CA-O 3.31Å; E62-K95 WeakPolarHBondContact CA-O 3.44Å; E62-K95 HydrophobicContact CB-CB 4.16Å; S63-K95 PolarHBondContact N-O 3.23Å
96M91.8Very high88.5Confident0 Ų063.9 Ų63.90%028%0.282CS..EExtended strand (participates in β ladder)trans-118.4139.5176.259.4179.867.500109.6M53 F59 S63 V65 V82 A86 L94 P98M53-M96 HydrophobicContact CE-CE 3.8Å; F59-M96 HydrophobicContact CD1-CB 4.16Å; F59-M96 HydrophobicContact CD2-CE 4.18Å; F59-M96 HydrophobicContact CE1-CB 4.36Å; F59-M96 HydrophobicContact CE2-CE 4.14Å; F59-M96 HydrophobicContact CG-CE 4.5Å; F59-M96 HydrophobicContact CZ-CE 4.4Å; S63-M96 WeakPolarHBondContact O-CA 3.14Å; V65-M96 HydrophobicContact CG1-CB 4.09Å; V65-M96 HydrophobicContact CG2-CB 4.13Å; V82-M96 HydrophobicContact CB-SD 4.27Å; V82-M96 HydrophobicContact CG1-SD 3.72Å; V82-M96 HydrophobicContact CG2-SD 4.19Å; A86-M96 HydrophobicContact CB-CG 3.91Å; L94-M96 HydrophobicContact CB-CE 3.6Å; L94-M96 HydrophobicContact CD1-CE 3.67Å; L94-M96 HydrophobicContact CG-CE 4.29Å; L94-M96 PolarHBondContact O-N 2.89Å; M96-P98 WeakPolarHBondContact O-CD 3.17Å
97R93.3Very high88.4Confident142 Ų14265.5 Ų65.554%0.53629%0.293SS..EExtended strand (participates in β ladder)trans-111.595.3170.4-171.4-177.775-176.42.8108.6E62 S63 P64 V65 Y127E62-R97 HydrophobicContact CG-CB 4.49Å; S63-R97 PolarHBondContact O-N 3.16Å; P64-R97 VanDerWaalsContact CA-O 3.27Å; P64-R97 WeakPolarHBondContact CA-O 3.35Å; V65-R97 PolarHBondContact N-O 2.96Å; R97-Y127 HydrophobicContact CG-CE1 4.28Å
98P95.8Very high88.6Confident0 Ų063 Ų630%028%0.278CS..EExtended strand (participates in β ladder)trans-66.8142.9-175.525.7-33.6000112.6V65 V67 V82 M96 F100 Y127V65-P98 HydrophobicContact CG2-CB 4.23Å; V65-P98 CarbonylContact O-C 3.58Å; V67-P98 HydrophobicContact CG2-CB 4.31Å; V82-P98 HydrophobicContact CG1-CB 3.81Å; V82-P98 HydrophobicContact CG1-CG 3.99Å; M96-P98 WeakPolarHBondContact O-CD 3.17Å; P98-F100 HydrophobicContact CB-CE1 4.28Å; P98-F100 HydrophobicContact CB-CE2 3.82Å; P98-F100 HydrophobicContact CB-CZ 3.69Å; P98-F100 HydrophobicContact CG-CE2 4.07Å; P98-F100 HydrophobicContact CG-CZ 4.07Å; P98-Y127 VanDerWaalsContact CD-CE1 3.46Å; P98-Y127 HydrophobicContact CG-CD1 3.64Å; P98-Y127 HydrophobicContact CG-CD2 3.88Å; P98-Y127 HydrophobicContact CG-CE1 3.72Å; P98-Y127 HydrophobicContact CG-CE2 3.95Å; P98-Y127 HydrophobicContact CG-CG 3.72Å; P98-Y127 WeakPolarHBondContact O-CD1 3.41Å
99V96.1Very high89Confident14 Ų1468 Ų689%0.08530%0.301CS..EExtended strand (participates in β ladder)trans-125.5120.4165.9176.50000105.6V65 L66 V67 Y130 L194 L196V65-V99 PolarHBondContact O-N 3.5Å; L66-V99 CarbonylContact C-O 3.56Å; L66-V99 WeakPolarHBondContact CA-O 3.38Å; L66-V99 HydrophobicContact CD1-CG1 4.24Å; V67-V99 PolarHBondContact N-O 2.93Å; V99-Y130 HydrophobicContact CG1-CD2 3.83Å; V99-Y130 HydrophobicContact CG1-CE2 3.6Å; V99-L194 HydrophobicContact CG1-CD1 4.33Å; V99-L196 HydrophobicContact CB-CD1 4.31Å; V99-L196 HydrophobicContact CG2-CD2 4.46Å
100F96.7Very high89.7Confident0 Ų061 Ų610%027%0.27CS..EExtended strand (participates in β ladder)trans-95.5146.5-176.1-61.6-79.5000110.9V67 V69 V79 L83 P98 V122 Y127 P128 C129 Y130V67-F100 HydrophobicContact CB-CD1 3.61Å; V67-F100 HydrophobicContact CB-CE1 3.8Å; V67-F100 HydrophobicContact CG1-CD1 3.92Å; V67-F100 HydrophobicContact CG1-CE1 3.89Å; V67-F100 HydrophobicContact CG2-CD1 4.3Å; V67-F100 HydrophobicContact CG2-CE1 4.08Å; V67-F100 WeakPolarHBondContact O-CA 3.41Å; V69-F100 HydrophobicContact CG1-CB 4.21Å; V69-F100 HydrophobicContact CG1-CD1 3.68Å; V69-F100 HydrophobicContact CG1-CG 4.33Å; V69-F100 HydrophobicContact CG2-CB 4.37Å; V79-F100 HydrophobicContact CB-CE1 4.16Å; V79-F100 HydrophobicContact CG1-CE1 4Å; V79-F100 HydrophobicContact CG1-CZ 4.09Å; V79-F100 HydrophobicContact CG2-CD1 3.99Å; V79-F100 HydrophobicContact CG2-CE1 3.71Å; L83-F100 HydrophobicContact CD2-CE2 4.39Å; L83-F100 HydrophobicContact CD2-CZ 4.2Å; L83-F100 HydrophobicContact CG-CZ 4.4Å; P98-F100 HydrophobicContact CB-CE1 4.28Å; P98-F100 HydrophobicContact CB-CE2 3.82Å; P98-F100 HydrophobicContact CB-CZ 3.69Å; P98-F100 HydrophobicContact CG-CE2 4.07Å; P98-F100 HydrophobicContact CG-CZ 4.07Å; F100-V122 HydrophobicContact CB-CG1 3.61Å; F100-V122 HydrophobicContact CD1-CG1 4.17Å; F100-V122 HydrophobicContact CD2-CG1 3.22Å; F100-V122 HydrophobicContact CE2-CG1 3.86Å; F100-V122 HydrophobicContact CG-CG1 3.39Å; F100-Y127 HydrophobicContact CE2-CD2 4.4Å; F100-Y127 HydrophobicContact CE2-CG 4.28Å; F100-P128 PolarHBondContact N-O 3.23Å; F100-C129 HydrophobicContact CB-CB 4.21Å; F100-C129 WeakPolarHBondContact O-CA 3.31Å; F100-Y130 PolarHBondContact O-N 3.45Å
101V96.6Very high90.7Very high2 Ų255 Ų551%0.01224%0.243CC..EExtended strand (participates in β ladder)trans-141131.1173.566.20000111.8L66 V67 E68 V69 I103 Y130 V132 L187 L190L66-V101 HydrophobicContact CD1-CB 4.06Å; L66-V101 HydrophobicContact CD1-CG1 3.65Å; L66-V101 HydrophobicContact CD2-CG1 4.12Å; L66-V101 HydrophobicContact CG-CG1 3.87Å; V67-V101 PolarHBondContact O-N 2.71Å; E68-V101 CarbonylContact C-O 3.6Å; E68-V101 WeakPolarHBondContact CA-O 3.49Å; V69-V101 VanDerWaalsContact CG2-C 3.48Å; V69-V101 WeakPolarHBondContact CG2-O 3.26Å; V69-V101 PolarHBondContact N-O 3.4Å; V101-I103 HydrophobicContact CG2-CD1 4.08Å; V101-Y130 CarbonylContact C-O 3.49Å; V101-Y130 WeakPolarHBondContact CA-O 3.33Å; V101-V132 HydrophobicContact CG2-CB 4.31Å; V101-V132 HydrophobicContact CG2-CG2 3.86Å; V101-L187 HydrophobicContact CG1-CD2 3.98Å; V101-L190 HydrophobicContact CG2-CD1 4.07Å
102H96.1Very high91.5Very high1 Ų145.8 Ų45.81%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-94.7126.9165.8-175.177.5000109.3V69 L115 Y130 V131 V132V69-H102 HydrophobicContact CG2-CB 4.1Å; V69-H102 PolarHBondContact O-ND1 2.89Å; H102-L115 HydrophobicContact CB-CD1 4.48Å; H102-L115 VanDerWaalsContact CD2-CD1 3.42Å; H102-L115 WeakPolarHBondContact CD2-CD1 3.42Å; H102-Y130 PolarHBondContact N-O 3.01Å; H102-V131 HydrophobicContact CB-CG2 4.14Å; H102-V132 PolarHBondContact O-N 2.98Å
103I95.9Very high92.2Very high4 Ų445.7 Ų45.72%0.02122%0.223CC..EExtended strand (participates in β ladder)trans-92106170-54.9-57.2000108.5V101 F105 V132 A134 K183 L186 L187 L190V101-I103 HydrophobicContact CG2-CD1 4.08Å; I103-F105 HydrophobicContact CG2-CE2 4.1Å; I103-F105 HydrophobicContact CG2-CZ 4.09Å; I103-V132 CarbonylContact C-O 3.52Å; I103-V132 VanDerWaalsContact CA-O 3.32Å; I103-V132 WeakPolarHBondContact CA-O 3.19Å; I103-V132 HydrophobicContact CD1-CB 4.25Å; I103-A134 HydrophobicContact CG2-CB 3.99Å; I103-K183 HydrophobicContact CG1-CG 4.46Å; I103-K183 HydrophobicContact CG2-CG 4.44Å; I103-L186 HydrophobicContact CD1-CD2 3.91Å; I103-L186 HydrophobicContact CD1-CG 4.32Å; I103-L186 HydrophobicContact CG2-CD2 3.91Å; I103-L187 HydrophobicContact CD1-CD2 4.25Å; I103-L187 HydrophobicContact CG1-CD2 4.22Å; I103-L190 HydrophobicContact CD1-CD1 3.66Å
104L94.8Very high92.6Very high2 Ų242.3 Ų42.31%0.0121%0.212CC..EExtended strand (participates in β ladder)trans-82124.9178.1-175.475.7000110F110 L115 V131 V132 D133 A134 Y269L104-F110 HydrophobicContact CD1-CD1 4.04Å; L104-F110 HydrophobicContact CD1-CD2 4.04Å; L104-F110 HydrophobicContact CD1-CE1 4.03Å; L104-F110 HydrophobicContact CD1-CE2 4.02Å; L104-F110 HydrophobicContact CD1-CG 4.06Å; L104-F110 HydrophobicContact CD1-CZ 4.02Å; L104-F110 HydrophobicContact CD2-CE1 4.34Å; L104-F110 HydrophobicContact CD2-CZ 4.21Å; L104-F110 HydrophobicContact CG-CE1 4.48Å; L104-L115 HydrophobicContact CD1-CD2 4.04Å; L104-V131 HydrophobicContact CB-CG1 4.18Å; L104-V132 PolarHBondContact N-O 3.47Å; L104-D133 CarbonylContact O-C 3.58Å; L104-D133 WeakPolarHBondContact O-CA 3.41Å; L104-A134 PolarHBondContact O-N 3.47Å; L104-Y269 WeakPolarHBondContact CA-OH 3.25Å; L104-Y269 WeakPolarHBondContact CD1-OH 3.32Å
105F93.4Very high92.9Very high9 Ų941.4 Ų41.44%0.03921%0.207CC..  trans-93.587.3166.3-63-88000109.5I103 S107 E108 A134 F162 T179 K183 Y269 R272I103-F105 HydrophobicContact CG2-CE2 4.1Å; I103-F105 HydrophobicContact CG2-CZ 4.09Å; F105-S107 PolarHBondContact O-N 3.02Å; F105-E108 HydrophobicContact CB-CB 4.35Å; F105-E108 HydrophobicContact CB-CG 4.26Å; F105-E108 PolarHBondContact O-N 2.9Å; F105-E108 VanDerWaalsContact O-N 3.07Å; F105-A134 HydrophobicContact CD1-CB 3.57Å; F105-A134 HydrophobicContact CE1-CB 3.6Å; F105-A134 HydrophobicContact CG-CB 4.25Å; F105-A134 HydrophobicContact CZ-CB 4.32Å; F105-F162 HydrophobicContact CD1-CE1 4.08Å; F105-F162 HydrophobicContact CD1-CZ 4.2Å; F105-F162 HydrophobicContact CE1-CZ 4.26Å; F105-T179 HydrophobicContact CD1-CG2 4.05Å; F105-T179 HydrophobicContact CE1-CG2 3.37Å; F105-T179 HydrophobicContact CZ-CG2 4.01Å; F105-K183 HydrophobicContact CE2-CD 4.47Å; F105-K183 HydrophobicContact CZ-CB 4.47Å; F105-K183 HydrophobicContact CZ-CD 4.06Å; F105-K183 HydrophobicContact CZ-CG 4.34Å; F105-Y269 HydrophobicContact CB-CE1 4.21Å; F105-Y269 PolarHBondContact N-OH 2.63Å; F105-R272 VanDerWaalsContact CD2-NH2 3.31Å
106S90.8Very high93Very high40 Ų4038.8 Ų38.828%0.2820%0.201SC..THydrogen-bonded Turntrans-66.5-18.2-179.766.10000113.9E108 D133 A159S106-E108 PolarHBondContact O-N 2.92Å; S106-D133 WeakPolarHBondContact CB-OD2 3.4Å; S106-D133 PolarHBondContact OG-OD2 3.09Å; S106-D133 VanDerWaalsContact OG-OD2 3.06Å; S106-A159 WeakPolarHBondContact OG-CB 3.2Å
107S86.7Confident93.1Very high35 Ų3540.9 Ų40.925%0.24522%0.218CC..THydrogen-bonded Turntrans-71.5-13.617359.40000113F105F105-S107 PolarHBondContact O-N 3.02Å
108E89Confident93.1Very high58 Ų5834.1 Ų34.127%0.27119%0.193SC..SBendtrans-104.6151.8175.7-68.2178.9-135.100110.5F105 S106 F110 Y269 R272F105-E108 HydrophobicContact CB-CB 4.35Å; F105-E108 HydrophobicContact CB-CG 4.26Å; F105-E108 PolarHBondContact O-N 2.9Å; F105-E108 VanDerWaalsContact O-N 3.07Å; S106-E108 PolarHBondContact O-N 2.92Å; E108-F110 WeakPolarHBondContact O-CD1 3.31Å; E108-F110 PolarHBondContact O-N 3.04Å; E108-Y269 HydrophobicContact CB-CD1 4.21Å; E108-Y269 HydrophobicContact CB-CE1 4.07Å; E108-R272 IonicContact OE1-CZ 2.75Å; E108-R272 IonicContact OE1-NE 2.71Å; E108-R272 IonicContact OE1-NH2 3.26Å; E108-R272 PolarHBondContact OE1-NH2 3.31Å; E108-R272 IonicContact OE2-CZ 2.84Å; E108-R272 IonicContact OE2-NE 3.1Å; E108-R272 PolarHBondContact OE2-NE 3.35Å; E108-R272 IonicContact OE2-NH2 2.94Å; E108-R272 PolarHBondContact OE2-NH2 3.03Å
109Q88.8Confident92.9Very high168 Ų16834.1 Ų34.179%0.78519%0.193SC*.  trans-66.1129.7168.1-170174.31000109.5Q271Q109-Q271 PolarHBondContact O-NE2 3.36Å; Q109-Q271 PolarHBondContact O-OE1 3.03Å
110F91.7Very high92.8Very high45 Ų4536.5 Ų36.520%0.19721%0.208CC..  trans-135.6160.2176.967.2-90.6000110.5L104 E108 P112 L115 T153 V268 Y269L104-F110 HydrophobicContact CD1-CD1 4.04Å; L104-F110 HydrophobicContact CD1-CD2 4.04Å; L104-F110 HydrophobicContact CD1-CE1 4.03Å; L104-F110 HydrophobicContact CD1-CE2 4.02Å; L104-F110 HydrophobicContact CD1-CG 4.06Å; L104-F110 HydrophobicContact CD1-CZ 4.02Å; L104-F110 HydrophobicContact CD2-CE1 4.34Å; L104-F110 HydrophobicContact CD2-CZ 4.21Å; L104-F110 HydrophobicContact CG-CE1 4.48Å; E108-F110 WeakPolarHBondContact O-CD1 3.31Å; E108-F110 PolarHBondContact O-N 3.04Å; F110-P112 HydrophobicContact CD2-CG 4.38Å; F110-P112 HydrophobicContact CE2-CB 4.43Å; F110-P112 HydrophobicContact CE2-CG 4.02Å; F110-P112 WeakPolarHBondContact O-CD 3.06Å; F110-L115 HydrophobicContact CE2-CD2 4.32Å; F110-T153 HydrophobicContact CE2-CG2 3.62Å; F110-T153 HydrophobicContact CZ-CG2 3.77Å; F110-V268 CarbonylContact C-O 3.45Å; F110-V268 WeakPolarHBondContact CA-O 3.25Å; F110-V268 HydrophobicContact CB-CG1 4.25Å; F110-V268 WeakPolarHBondContact CB-O 3.41Å; F110-Y269 HydrophobicContact CB-CD1 3.87Å; F110-Y269 HydrophobicContact CB-CE1 3.59Å
111D92.9Very high92.6Very high46 Ų4637.7 Ų37.725%0.24621%0.212CC..  trans-94.9109.7174.4174.121.2000110.6N113 S114 L115 V268D111-N113 PolarHBondContact O-N 3.02Å; D111-N113 WeakPolarHBondContact OD1-CB 3.33Å; D111-N113 PolarHBondContact OD1-N 2.99Å; D111-S114 PolarHBondContact O-N 3.24Å; D111-S114 WeakPolarHBondContact OD2-CB 3.39Å; D111-S114 PolarHBondContact OD2-N 2.69Å; D111-S114 PolarHBondContact OD2-OG 3.42Å; D111-L115 PolarHBondContact O-N 2.88Å; D111-V268 PolarHBondContact N-O 2.8Å
112P91Very high92.4Very high63 Ų6337.6 Ų37.641%0.40921%0.212SC..Hα-helixtrans-61.1-29.3177.8-21.934000113.4F110 L115 S116 T153F110-P112 HydrophobicContact CD2-CG 4.38Å; F110-P112 HydrophobicContact CE2-CB 4.43Å; F110-P112 HydrophobicContact CE2-CG 4.02Å; F110-P112 WeakPolarHBondContact O-CD 3.06Å; P112-L115 PolarHBondContact O-N 3.18Å; P112-S116 WeakPolarHBondContact O-CB 3.22Å; P112-S116 PolarHBondContact O-N 3.22Å; P112-T153 HydrophobicContact CB-CG2 4.22Å
113N92.6Very high92.1Very high129 Ų12941.3 Ų41.369%0.6923%0.229SC*.Hα-helixtrans-71.1-45179.5-64.9-39.5000110.6D111 L115 S116 A117D111-N113 PolarHBondContact O-N 3.02Å; D111-N113 WeakPolarHBondContact OD1-CB 3.33Å; D111-N113 PolarHBondContact OD1-N 2.99Å; N113-L115 VanDerWaalsContact C-N 3.33Å; N113-L115 PolarHBondContact O-N 2.82Å; N113-S116 PolarHBondContact O-N 2.95Å; N113-A117 WeakPolarHBondContact O-CB 3.26Å; N113-A117 PolarHBondContact O-N 3.28Å
114S93.2Very high91.9Very high15 Ų1549 Ų4911%0.10526%0.258CS..Hα-helixtrans-62-38.3173.1-70.50000112.5D111 A117 L118D111-S114 PolarHBondContact O-N 3.24Å; D111-S114 WeakPolarHBondContact OD2-CB 3.39Å; D111-S114 PolarHBondContact OD2-N 2.69Å; D111-S114 PolarHBondContact OD2-OG 3.42Å; S114-A117 PolarHBondContact O-N 2.8Å; S114-L118 WeakPolarHBondContact O-CB 3.38Å; S114-L118 PolarHBondContact O-N 2.87Å
115L93.3Very high91.6Very high0 Ų051.2 Ų51.20%027%0.271CS..Hα-helixtrans-62-49.4172.8177.460.5000111.3H102 L104 F110 D111 P112 N113 A117 L118 V119 F149 V268H102-L115 HydrophobicContact CB-CD1 4.48Å; H102-L115 VanDerWaalsContact CD2-CD1 3.42Å; H102-L115 WeakPolarHBondContact CD2-CD1 3.42Å; L104-L115 HydrophobicContact CD1-CD2 4.04Å; F110-L115 HydrophobicContact CE2-CD2 4.32Å; D111-L115 PolarHBondContact O-N 2.88Å; P112-L115 PolarHBondContact O-N 3.18Å; N113-L115 VanDerWaalsContact C-N 3.33Å; N113-L115 PolarHBondContact O-N 2.82Å; L115-A117 VanDerWaalsContact C-N 3.31Å; L115-A117 PolarHBondContact O-N 3.29Å; L115-L118 PolarHBondContact O-N 2.94Å; L115-V119 HydrophobicContact CD1-CG2 4.14Å; L115-V119 WeakPolarHBondContact O-CG2 3.24Å; L115-V119 PolarHBondContact O-N 2.88Å; L115-F149 HydrophobicContact CD2-CE2 3.94Å; L115-F149 HydrophobicContact CD2-CZ 4.47Å; L115-F149 HydrophobicContact CG-CE2 4.18Å; L115-F149 HydrophobicContact CG-CZ 4.34Å; L115-V268 HydrophobicContact CB-CG1 4.18Å
116S92.7Very high91.5Very high41 Ų4154.2 Ų54.229%0.28731%0.305SS..Hα-helixtrans-59.8-42.2178.4-176.50000111.8P112 N113 V119 T120P112-S116 WeakPolarHBondContact O-CB 3.22Å; P112-S116 PolarHBondContact O-N 3.22Å; N113-S116 PolarHBondContact O-N 2.95Å; S116-V119 PolarHBondContact O-N 3.22Å; S116-T120 VanDerWaalsContact O-CB 3.25Å; S116-T120 WeakPolarHBondContact O-CB 3.28Å; S116-T120 PolarHBondContact O-N 3.36Å; S116-T120 PolarHBondContact O-OG1 2.99Å
117A93.2Very high91.6Very high44 Ų4454.5 Ų54.536%0.36430%0.3SS..Hα-helixtrans-63.2-44175.600000112.3N113 S114 L115 T120 Y121 F266N113-A117 WeakPolarHBondContact O-CB 3.26Å; N113-A117 PolarHBondContact O-N 3.28Å; S114-A117 PolarHBondContact O-N 2.8Å; L115-A117 VanDerWaalsContact C-N 3.31Å; L115-A117 PolarHBondContact O-N 3.29Å; A117-T120 PolarHBondContact O-N 2.85Å; A117-Y121 VanDerWaalsContact O-CB 3.24Å; A117-Y121 WeakPolarHBondContact O-CB 3.47Å; A117-Y121 PolarHBondContact O-N 2.85Å; A117-F266 HydrophobicContact CB-CD1 3.91Å; A117-F266 HydrophobicContact CB-CE1 3.95Å
118L93.8Very high91.8Very high1 Ų155.5 Ų55.51%0.00531%0.306CS..Hα-helixtrans-60.5-49176172.462.6000111.4S114 L115 Y121 V122 F266 V268S114-L118 WeakPolarHBondContact O-CB 3.38Å; S114-L118 PolarHBondContact O-N 2.87Å; L115-L118 PolarHBondContact O-N 2.94Å; L118-Y121 WeakPolarHBondContact O-CB 3.22Å; L118-Y121 PolarHBondContact O-N 3.47Å; L118-V122 WeakPolarHBondContact O-CG2 3.45Å; L118-V122 PolarHBondContact O-N 3.36Å; L118-V122 VanDerWaalsContact O-N 3.1Å; L118-F266 HydrophobicContact CB-CB 3.88Å; L118-F266 HydrophobicContact CB-CD1 4.05Å; L118-F266 HydrophobicContact CB-CD2 4.21Å; L118-F266 HydrophobicContact CB-CG 3.79Å; L118-F266 HydrophobicContact CD1-CB 4.33Å; L118-F266 HydrophobicContact CD1-CD2 3.56Å; L118-F266 HydrophobicContact CD1-CE2 4.02Å; L118-F266 HydrophobicContact CD1-CG 4.01Å; L118-F266 HydrophobicContact CG-CD2 4.48Å; L118-F266 HydrophobicContact CG-CG 4.48Å; L118-V268 HydrophobicContact CD2-CG2 3.99Å
119V92.5Very high92.1Very high0 Ų053 Ų530%029%0.294CS..Hα-helixtrans-64.8-45.6-179.6174.50000110.6L115 S116 Y121 V122 Q123 C129 V131 F149L115-V119 HydrophobicContact CD1-CG2 4.14Å; L115-V119 WeakPolarHBondContact O-CG2 3.24Å; L115-V119 PolarHBondContact O-N 2.88Å; S116-V119 PolarHBondContact O-N 3.22Å; V119-Y121 VanDerWaalsContact C-N 3.26Å; V119-Y121 PolarHBondContact O-N 3.38Å; V119-V122 PolarHBondContact O-N 2.95Å; V119-V122 VanDerWaalsContact O-N 3.12Å; V119-Q123 VanDerWaalsContact CG1-CD 3.48Å; V119-Q123 HydrophobicContact CG1-CG 3.93Å; V119-Q123 WeakPolarHBondContact O-CB 3.39Å; V119-Q123 WeakPolarHBondContact O-CG 3.47Å; V119-Q123 PolarHBondContact O-N 3.45Å; V119-C129 HydrophobicContact CG1-CB 4.47Å; V119-V131 HydrophobicContact CG2-CG2 3.89Å; V119-F149 HydrophobicContact CB-CD1 3.77Å; V119-F149 HydrophobicContact CB-CE1 4.23Å; V119-F149 HydrophobicContact CB-CG 4.32Å; V119-F149 HydrophobicContact CG1-CB 3.89Å; V119-F149 HydrophobicContact CG1-CD1 3.58Å; V119-F149 HydrophobicContact CG1-CE1 4.46Å; V119-F149 HydrophobicContact CG1-CG 4.02Å; V119-F149 HydrophobicContact CG2-CB 4.31Å; V119-F149 HydrophobicContact CG2-CD1 3.93Å; V119-F149 HydrophobicContact CG2-CE1 4.38Å; V119-F149 HydrophobicContact CG2-CG 4.03Å
120T92.4Very high92.3Very high64 Ų6447.5 Ų47.539%0.39327%0.267SS..Hα-helixtrans-58.1-42.8177.3-60.60000110.7S116 A117 V122 Q123 R124S116-T120 VanDerWaalsContact O-CB 3.25Å; S116-T120 WeakPolarHBondContact O-CB 3.28Å; S116-T120 PolarHBondContact O-N 3.36Å; S116-T120 PolarHBondContact O-OG1 2.99Å; A117-T120 PolarHBondContact O-N 2.85Å; T120-V122 VanDerWaalsContact C-N 3.32Å; T120-V122 PolarHBondContact O-N 3.48Å; T120-Q123 PolarHBondContact O-N 2.91Å; T120-R124 VanDerWaalsContact O-CG 3.25Å; T120-R124 WeakPolarHBondContact O-CG 3.48Å; T120-R124 PolarHBondContact O-N 3.13Å
121Y92.5Very high92.4Very high25 Ų2545.3 Ų45.310%0.09826%0.257CS..Hα-helixtrans-57-45175.9178.1-97.5000112.2V76 V79 N80 A117 L118 V119 F266V76-Y121 HydrophobicContact CG1-CE1 4.35Å; V79-Y121 HydrophobicContact CG1-CE1 4.44Å; N80-Y121 PolarHBondContact ND2-OH 3.02Å; N80-Y121 PolarHBondContact OD1-OH 3.38Å; A117-Y121 VanDerWaalsContact O-CB 3.24Å; A117-Y121 WeakPolarHBondContact O-CB 3.47Å; A117-Y121 PolarHBondContact O-N 2.85Å; L118-Y121 WeakPolarHBondContact O-CB 3.22Å; L118-Y121 PolarHBondContact O-N 3.47Å; V119-Y121 VanDerWaalsContact C-N 3.26Å; V119-Y121 PolarHBondContact O-N 3.38Å; Y121-F266 AromaticContact CD1-CE2 3.92Å; Y121-F266 HydrophobicContact CD1-CE2 3.92Å; Y121-F266 HydrophobicContact CD1-CZ 4Å; Y121-F266 HydrophobicContact CD2-CE2 4.41Å; Y121-F266 AromaticContact CD2-CZ 3.81Å; Y121-F266 HydrophobicContact CD2-CZ 3.81Å; Y121-F266 HydrophobicContact CE1-CE2 4.36Å; Y121-F266 HydrophobicContact CE2-CZ 4.48Å; Y121-F266 AromaticContact CG-CE2 3.93Å; Y121-F266 HydrophobicContact CG-CE2 3.93Å; Y121-F266 AromaticContact CG-CZ 3.51Å; Y121-F266 HydrophobicContact CG-CZ 3.51Å
122V92.5Very high92.5Very high0 Ų043.1 Ų43.10%025%0.246CC..Hα-helixtrans-71.9-43.2177.6177.90000111.7V69 V79 F100 L118 V119 T120 R124 T125 C129V69-V122 HydrophobicContact CG1-CG2 4.29Å; V79-V122 HydrophobicContact CG1-CG2 4.46Å; F100-V122 HydrophobicContact CB-CG1 3.61Å; F100-V122 HydrophobicContact CD1-CG1 4.17Å; F100-V122 HydrophobicContact CD2-CG1 3.22Å; F100-V122 HydrophobicContact CE2-CG1 3.86Å; F100-V122 HydrophobicContact CG-CG1 3.39Å; L118-V122 WeakPolarHBondContact O-CG2 3.45Å; L118-V122 PolarHBondContact O-N 3.36Å; L118-V122 VanDerWaalsContact O-N 3.1Å; V119-V122 PolarHBondContact O-N 2.95Å; V119-V122 VanDerWaalsContact O-N 3.12Å; T120-V122 VanDerWaalsContact C-N 3.32Å; T120-V122 PolarHBondContact O-N 3.48Å; V122-R124 VanDerWaalsContact C-N 3.27Å; V122-R124 PolarHBondContact O-N 3.35Å; V122-T125 VanDerWaalsContact O-CB 3.26Å; V122-T125 WeakPolarHBondContact O-CB 3.46Å; V122-T125 WeakPolarHBondContact O-CG2 3.37Å; V122-T125 PolarHBondContact O-N 3.48Å; V122-T125 PolarHBondContact O-OG1 3.22Å; V122-C129 HydrophobicContact CB-CB 4.29Å; V122-C129 HydrophobicContact CG1-CB 3.8Å
123Q90.5Very high92.7Very high78 Ų7840.4 Ų40.436%0.36423%0.228SC..Hα-helixtrans-63.3-31.4-178.7-76176-20.100112.7V119 T120 T125 G126 C129 F149V119-Q123 VanDerWaalsContact CG1-CD 3.48Å; V119-Q123 HydrophobicContact CG1-CG 3.93Å; V119-Q123 WeakPolarHBondContact O-CB 3.39Å; V119-Q123 WeakPolarHBondContact O-CG 3.47Å; V119-Q123 PolarHBondContact O-N 3.45Å; T120-Q123 PolarHBondContact O-N 2.91Å; Q123-T125 PolarHBondContact O-N 3.37Å; Q123-G126 PolarHBondContact O-N 3.35Å; Q123-C129 HydrophobicContact CG-CB 4.11Å; Q123-F149 PolarHBondContact NE2-O 3.41Å; Q123-F149 VanDerWaalsContact NE2-O 3.14Å
124R91.2Very high92.9Very high167 Ų16734.5 Ų34.563%0.6320%0.197SC*.THydrogen-bonded Turntrans-58.4-16.5173.9-76.6170.673.7-156.1-6.3113.7T120 V122 G126 E261T120-R124 VanDerWaalsContact O-CG 3.25Å; T120-R124 WeakPolarHBondContact O-CG 3.48Å; T120-R124 PolarHBondContact O-N 3.13Å; V122-R124 VanDerWaalsContact C-N 3.27Å; V122-R124 PolarHBondContact O-N 3.35Å; R124-G126 VanDerWaalsContact C-N 3.31Å; R124-E261 IonicContact CZ-OE1 2.96Å; R124-E261 IonicContact NH1-OE1 2.73Å; R124-E261 PolarHBondContact NH1-OE1 3.49Å; R124-E261 VanDerWaalsContact NH1-OE1 3.11Å; R124-E261 IonicContact NH1-OE2 3.93Å; R124-E261 PolarHBondContact NH1-OE2 3.24Å; R124-E261 IonicContact NH2-OE1 3.95Å; R124-E261 PolarHBondContact NH2-OE1 2.96Å
125T88.8Confident93.1Very high47 Ų4733.8 Ų33.829%0.28819%0.192SC..THydrogen-bonded Turntrans-80.3-12.3177.773.30000113.2L83 V122 Q123 Y127L83-T125 HydrophobicContact CD1-CG2 3.42Å; L83-T125 VanDerWaalsContact CD1-CG2 3.42Å; L83-T125 HydrophobicContact CD2-CG2 4.06Å; L83-T125 HydrophobicContact CG-CG2 4.39Å; V122-T125 VanDerWaalsContact O-CB 3.26Å; V122-T125 WeakPolarHBondContact O-CB 3.46Å; V122-T125 WeakPolarHBondContact O-CG2 3.37Å; V122-T125 PolarHBondContact O-N 3.48Å; V122-T125 PolarHBondContact O-OG1 3.22Å; Q123-T125 PolarHBondContact O-N 3.37Å; T125-Y127 VanDerWaalsContact C-N 3.28Å; T125-Y127 PolarHBondContact O-N 3.12Å; T125-Y127 PolarHBondContact OG1-N 2.88Å
126G91.6Very high93.3Very high72 Ų7233.8 Ų33.874%0.74219%0.192SC*.THydrogen-bonded Turntrans83.2-5.6-175.600000114.7Q123 R124Q123-G126 PolarHBondContact O-N 3.35Å; R124-G126 VanDerWaalsContact C-N 3.31Å
127Y92Very high93.5Very high46 Ų4631.9 Ų31.918%0.1818%0.178CC..SBendtrans-87.6149.9175.1-67.5-76.1000112.2L83 R97 P98 F100 T125L83-Y127 HydrophobicContact CD2-CD2 3.46Å; L83-Y127 VanDerWaalsContact CD2-CD2 3.46Å; L83-Y127 HydrophobicContact CD2-CE2 3.49Å; L83-Y127 VanDerWaalsContact CD2-CE2 3.49Å; R97-Y127 HydrophobicContact CG-CE1 4.28Å; P98-Y127 VanDerWaalsContact CD-CE1 3.46Å; P98-Y127 HydrophobicContact CG-CD1 3.64Å; P98-Y127 HydrophobicContact CG-CD2 3.88Å; P98-Y127 HydrophobicContact CG-CE1 3.72Å; P98-Y127 HydrophobicContact CG-CE2 3.95Å; P98-Y127 HydrophobicContact CG-CG 3.72Å; P98-Y127 WeakPolarHBondContact O-CD1 3.41Å; F100-Y127 HydrophobicContact CE2-CD2 4.4Å; F100-Y127 HydrophobicContact CE2-CG 4.28Å; T125-Y127 VanDerWaalsContact C-N 3.28Å; T125-Y127 PolarHBondContact O-N 3.12Å; T125-Y127 PolarHBondContact OG1-N 2.88Å
128P92.5Very high93.6Very high57 Ų5730.1 Ų30.137%0.3716%0.163SC..  trans-62.3139.2178.3-20.332.1000112.1F100 Y130F100-P128 PolarHBondContact N-O 3.23Å; P128-Y130 HydrophobicContact CB-CE2 4.1Å
129C93.6Very high93.7Very high4 Ų430.1 Ų30.13%0.02716%0.163CC..EExtended strand (participates in β ladder)trans-129.5120.7170.2-170.50000109.4F100 V119 V122 Q123F100-C129 HydrophobicContact CB-CB 4.21Å; F100-C129 WeakPolarHBondContact O-CA 3.31Å; V119-C129 HydrophobicContact CG1-CB 4.47Å; V122-C129 HydrophobicContact CB-CB 4.29Å; V122-C129 HydrophobicContact CG1-CB 3.8Å; Q123-C129 HydrophobicContact CG-CB 4.11Å
130Y94.4Very high93.7Very high53 Ų5333.8 Ų33.821%0.20819%0.186CC..EExtended strand (participates in β ladder)trans-104.8155.4176.1-58-68.4000111V99 F100 V101 H102 P128 I146 C147 S148 L194V99-Y130 HydrophobicContact CG1-CD2 3.83Å; V99-Y130 HydrophobicContact CG1-CE2 3.6Å; F100-Y130 PolarHBondContact O-N 3.45Å; V101-Y130 CarbonylContact C-O 3.49Å; V101-Y130 WeakPolarHBondContact CA-O 3.33Å; H102-Y130 PolarHBondContact N-O 3.01Å; P128-Y130 HydrophobicContact CB-CE2 4.1Å; Y130-I146 HydrophobicContact CD1-CG2 3.58Å; Y130-I146 HydrophobicContact CD2-CG2 4.08Å; Y130-I146 HydrophobicContact CE1-CG2 4.15Å; Y130-I146 HydrophobicContact CG-CG2 3.54Å; Y130-C147 CarbonylContact C-O 3.53Å; Y130-C147 WeakPolarHBondContact CA-O 3.45Å; Y130-S148 WeakPolarHBondContact CE1-OG 3.43Å; Y130-L194 HydrophobicContact CD2-CD1 4.4Å; Y130-L194 HydrophobicContact CE2-CD1 4.4Å
131V94.2Very high93.7Very high0 Ų037 Ų370%020%0.197CC..EExtended strand (participates in β ladder)trans-121.2128.8168.4-179.30000107.5H102 L104 V119 C147 F149 P154H102-V131 HydrophobicContact CB-CG2 4.14Å; L104-V131 HydrophobicContact CB-CG1 4.18Å; V119-V131 HydrophobicContact CG2-CG2 3.89Å; V131-C147 PolarHBondContact N-O 3.3Å; V131-C147 PolarHBondContact O-N 3.14Å; V131-F149 HydrophobicContact CB-CB 4.31Å; V131-F149 HydrophobicContact CB-CD2 4.36Å; V131-F149 HydrophobicContact CG2-CB 3.55Å; V131-F149 HydrophobicContact CG2-CD2 3.77Å; V131-F149 HydrophobicContact CG2-CG 3.92Å; V131-P154 HydrophobicContact CB-CG 3.98Å; V131-P154 HydrophobicContact CG1-CG 3.75Å
132V94.8Very high93.7Very high0 Ų036.2 Ų36.20%019%0.194CC..EExtended strand (participates in β ladder)trans-132.2132-177.3179.70000108.1V101 H102 I103 L104 S136 I146 L186 L190V101-V132 HydrophobicContact CG2-CB 4.31Å; V101-V132 HydrophobicContact CG2-CG2 3.86Å; H102-V132 PolarHBondContact O-N 2.98Å; I103-V132 CarbonylContact C-O 3.52Å; I103-V132 VanDerWaalsContact CA-O 3.32Å; I103-V132 WeakPolarHBondContact CA-O 3.19Å; I103-V132 HydrophobicContact CD1-CB 4.25Å; L104-V132 PolarHBondContact N-O 3.47Å; V132-S136 WeakPolarHBondContact CG1-OG 3.46Å; V132-I146 HydrophobicContact CG2-CB 4.44Å; V132-I146 HydrophobicContact CG2-CG1 4.16Å; V132-I146 HydrophobicContact CG2-CG2 4.44Å; V132-L186 HydrophobicContact CG1-CD2 4.42Å; V132-L190 HydrophobicContact CB-CD1 4.39Å; V132-L190 HydrophobicContact CG1-CD1 4.39Å; V132-L190 HydrophobicContact CG1-CD2 4.22Å; V132-L190 HydrophobicContact CG2-CD1 4.23Å; V132-L190 HydrophobicContact CG2-CD2 3.86Å
133D95.3Very high93.6Very high5 Ų543.8 Ų43.83%0.02723%0.227CC..EExtended strand (participates in β ladder)trans-74.6138.4175.2-160.6-64.4000111.2L104 S106 A135 S136 C156L104-D133 CarbonylContact O-C 3.58Å; L104-D133 WeakPolarHBondContact O-CA 3.41Å; S106-D133 WeakPolarHBondContact CB-OD2 3.4Å; S106-D133 PolarHBondContact OG-OD2 3.09Å; S106-D133 VanDerWaalsContact OG-OD2 3.06Å; D133-A135 PolarHBondContact O-N 3.27Å; D133-A135 WeakPolarHBondContact OD1-CB 3.37Å; D133-A135 PolarHBondContact OD1-N 2.96Å; D133-S136 VanDerWaalsContact O-CB 3.26Å; D133-S136 WeakPolarHBondContact O-CB 3.45Å; D133-S136 PolarHBondContact O-N 3.29Å; D133-S136 PolarHBondContact O-OG 3.48Å; D133-C156 HydrophobicContact CB-CB 3.51Å
134A96.5Very high93.6Very high5 Ų547.4 Ų47.44%0.04124%0.244CC..G310 helixtrans-54.1-34.2173.700000111.9I103 L104 F105 S136 I137 F162I103-A134 HydrophobicContact CG2-CB 3.99Å; L104-A134 PolarHBondContact O-N 3.47Å; F105-A134 HydrophobicContact CD1-CB 3.57Å; F105-A134 HydrophobicContact CE1-CB 3.6Å; F105-A134 HydrophobicContact CG-CB 4.25Å; F105-A134 HydrophobicContact CZ-CB 4.32Å; A134-S136 PolarHBondContact O-N 2.63Å; A134-I137 WeakPolarHBondContact O-CB 3.44Å; A134-I137 VanDerWaalsContact O-CG2 3.28Å; A134-I137 WeakPolarHBondContact O-CG2 3.35Å; A134-I137 PolarHBondContact O-N 2.96Å; A134-F162 HydrophobicContact CB-CE1 4.13Å; A134-F162 HydrophobicContact CB-CE2 4.03Å; A134-F162 HydrophobicContact CB-CZ 3.79Å
135A96.9Very high93.6Very high0 Ų041 Ų410%022%0.221CC..G310 helixtrans-64.5-19.3176.600000113.9D133 I137 F138 C156 Y158 F162D133-A135 PolarHBondContact O-N 3.27Å; D133-A135 WeakPolarHBondContact OD1-CB 3.37Å; D133-A135 PolarHBondContact OD1-N 2.96Å; A135-I137 PolarHBondContact O-N 3.37Å; A135-F138 WeakPolarHBondContact O-CD2 3.13Å; A135-F138 PolarHBondContact O-N 2.88Å; A135-F138 VanDerWaalsContact O-N 3.11Å; A135-C156 HydrophobicContact CB-CB 4.42Å; A135-Y158 WeakPolarHBondContact CB-O 3.24Å; A135-Y158 VanDerWaalsContact O-CB 3.3Å; A135-Y158 WeakPolarHBondContact O-CB 3.41Å; A135-F162 HydrophobicContact CB-CB 3.52Å; A135-F162 HydrophobicContact CB-CD2 4.43Å; A135-F162 HydrophobicContact CB-CG 4.07Å
136S96.7Very high93.7Very high0 Ų040 Ų400%021%0.214CC..G310 helixtrans-63.5-7.3173.269.10000113.3V132 D133 A134 F138 A139 L186 R189V132-S136 WeakPolarHBondContact CG1-OG 3.46Å; D133-S136 VanDerWaalsContact O-CB 3.26Å; D133-S136 WeakPolarHBondContact O-CB 3.45Å; D133-S136 PolarHBondContact O-N 3.29Å; D133-S136 PolarHBondContact O-OG 3.48Å; A134-S136 PolarHBondContact O-N 2.63Å; S136-F138 PolarHBondContact O-N 2.98Å; S136-A139 VanDerWaalsContact O-CB 3.24Å; S136-A139 WeakPolarHBondContact O-CB 3.39Å; S136-A139 PolarHBondContact O-N 3.27Å; S136-L186 WeakPolarHBondContact OG-CD1 3.44Å; S136-R189 PolarHBondContact O-NH1 3Å
137I96.7Very high93.3Very high1 Ų139 Ų391%0.00519%0.194CC..G310 helixtrans-56.2-27.8168.8-165.257.6000112.7A134 A135 F162 L182 A185 L186 R189 I367 M371A134-I137 WeakPolarHBondContact O-CB 3.44Å; A134-I137 VanDerWaalsContact O-CG2 3.28Å; A134-I137 WeakPolarHBondContact O-CG2 3.35Å; A134-I137 PolarHBondContact O-N 2.96Å; A135-I137 PolarHBondContact O-N 3.37Å; I137-F162 HydrophobicContact CG2-CD2 4.22Å; I137-F162 HydrophobicContact CG2-CE2 4.4Å; I137-L182 HydrophobicContact CG1-CD2 4.39Å; I137-A185 HydrophobicContact CD1-CB 4.1Å; I137-L186 HydrophobicContact CB-CD1 4.49Å; I137-L186 HydrophobicContact CD1-CB 4.22Å; I137-L186 HydrophobicContact CD1-CD1 4.4Å; I137-R189 PolarHBondContact O-NH1 3.1Å; I137-I367 HydrophobicContact CG1-CG1 4.49Å; I137-I367 HydrophobicContact CG1-CG2 4Å; I137-I367 HydrophobicContact CG2-CD1 4.14Å; I137-I367 HydrophobicContact CG2-CG1 4.36Å; I137-M371 HydrophobicContact CD1-SD 4.3Å
138F96.7Very high92.9Very high8 Ų840.7 Ų40.74%0.03521%0.213CC..G310 helixtrans-79.3-17.4174.3-66.8-76000114A135 S136 P140 Y158 Q161 F162 L165 L363 S366 I367 I370A135-F138 WeakPolarHBondContact O-CD2 3.13Å; A135-F138 PolarHBondContact O-N 2.88Å; A135-F138 VanDerWaalsContact O-N 3.11Å; S136-F138 PolarHBondContact O-N 2.98Å; F138-P140 WeakPolarHBondContact O-CD 3.4Å; F138-Y158 HydrophobicContact CB-CD1 3.84Å; F138-Y158 HydrophobicContact CB-CD2 4.4Å; F138-Y158 HydrophobicContact CB-CE1 4.31Å; F138-Y158 HydrophobicContact CB-CG 3.83Å; F138-Q161 HydrophobicContact CD2-CB 4.13Å; F138-Q161 HydrophobicContact CE2-CB 3.93Å; F138-Q161 HydrophobicContact CZ-CB 4.12Å; F138-F162 HydrophobicContact CE2-CB 3.97Å; F138-F162 HydrophobicContact CE2-CD2 4.09Å; F138-L165 HydrophobicContact CZ-CB 4.39Å; F138-L165 HydrophobicContact CZ-CD2 3.91Å; F138-L363 HydrophobicContact CE1-CB 3.92Å; F138-L363 HydrophobicContact CE1-CD2 4.15Å; F138-L363 HydrophobicContact CZ-CB 4.17Å; F138-S366 WeakPolarHBondContact CD1-OG 3.34Å; F138-I367 HydrophobicContact CD1-CD1 4.12Å; F138-I367 HydrophobicContact CD1-CG1 3.69Å; F138-I367 HydrophobicContact CE1-CD1 3.5Å; F138-I367 HydrophobicContact CE1-CG1 3.52Å; F138-I367 HydrophobicContact CE2-CD1 4.31Å; F138-I367 HydrophobicContact CG-CG1 4.44Å; F138-I367 HydrophobicContact CZ-CD1 3.62Å; F138-I367 HydrophobicContact CZ-CG1 4.14Å; F138-I370 WeakPolarHBondContact O-CD1 3.49Å
139A95.6Very high91.9Very high1 Ų138.5 Ų38.51%0.00820%0.198CC..  trans-71.8127.1-178.600000110S136 H141 H145 Y158 R189S136-A139 VanDerWaalsContact O-CB 3.24Å; S136-A139 WeakPolarHBondContact O-CB 3.39Å; S136-A139 PolarHBondContact O-N 3.27Å; A139-H141 VanDerWaalsContact C-N 3.31Å; A139-H141 PolarHBondContact O-N 2.94Å; A139-H145 WeakPolarHBondContact CB-CD2 3.43Å; A139-H145 WeakPolarHBondContact CB-NE2 3.42Å; A139-Y158 HydrophobicContact CB-CD2 4.05Å; A139-Y158 HydrophobicContact CB-CE2 3.48Å; A139-Y158 VanDerWaalsContact CB-CE2 3.48Å; A139-R189 PolarHBondContact O-NH1 2.95Å; A139-R189 PolarHBondContact O-NH2 2.77Å
140P92.8Very high91Very high76 Ų7643.3 Ų43.349%0.49423%0.232SC..SBendtrans-62.9-38.8172.7-23.834.8000112.2F138 R189F138-P140 WeakPolarHBondContact O-CD 3.4Å; P140-R189 PolarHBondContact O-NH2 3.14Å; P140-R189 VanDerWaalsContact O-NH2 3.11Å
141H91.7Very high89.9Confident132 Ų13243.1 Ų43.161%0.61125%0.246SC*.SBendtrans-111.986.9179.6-60.8-61.7000111A139 K143 E144A139-H141 VanDerWaalsContact C-N 3.31Å; A139-H141 PolarHBondContact O-N 2.94Å; H141-K143 PolarHBondContact O-N 3.34Å; H141-E144 PolarHBondContact O-N 2.87Å
142I92.7Very high89Confident8 Ų850.5 Ų50.54%0.04128%0.28CS..G310 helixtrans-60-23.4-175.2-166.1166.3000114.3E144 H145 L186 R189 L190 C193I142-E144 PolarHBondContact O-N 3.26Å; I142-E144 VanDerWaalsContact O-N 3.13Å; I142-H145 PolarHBondContact O-N 3.3Å; I142-L186 HydrophobicContact CD1-CD1 3.3Å; I142-L186 HydrophobicContact CD1-CG 4.46Å; I142-L186 HydrophobicContact CG1-CD1 4.47Å; I142-R189 HydrophobicContact CD1-CB 3.98Å; I142-L190 HydrophobicContact CD1-CD2 3.48Å; I142-L190 VanDerWaalsContact CD1-CD2 3.48Å; I142-L190 HydrophobicContact CD1-CG 3.73Å; I142-L190 HydrophobicContact CG1-CD2 3.92Å; I142-C193 HydrophobicContact CG2-CB 3.64Å
143K91.4Very high88.1Confident159 Ų15953.3 Ų53.369%0.69130%0.298SS*.G310 helixtrans-54.7-34.6-177-167.7178.5178.1-174.40113.1H141 H145 I146H141-K143 PolarHBondContact O-N 3.34Å; K143-H145 PolarHBondContact O-N 2.64Å; K143-I146 PolarHBondContact O-N 3.46Å
144E89.2Confident87.2Confident154 Ų15454.2 Ų54.272%0.7230%0.304SS*.G310 helixtrans-71.2-16.8-179.5-65.3170.7-164.500112.9H141 I142H141-E144 PolarHBondContact O-N 2.87Å; I142-E144 PolarHBondContact O-N 3.26Å; I142-E144 VanDerWaalsContact O-N 3.13Å
145H91.1Very high86.5Confident32 Ų3263.9 Ų63.915%0.14835%0.345CS..G310 helixtrans-104.54.7179.7-59.9-85000113A139 I142 K143 C147 Y158A139-H145 WeakPolarHBondContact CB-CD2 3.43Å; A139-H145 WeakPolarHBondContact CB-NE2 3.42Å; I142-H145 PolarHBondContact O-N 3.3Å; K143-H145 PolarHBondContact O-N 2.64Å; H145-C147 PolarHBondContact O-N 3.06Å; H145-Y158 AromaticContact CE1-CD2 3.93Å; H145-Y158 AromaticContact CE1-CE2 3.78Å; H145-Y158 AromaticContact NE2-CE2 3.57Å
146I90.8Very high86.2Confident28 Ų2864.6 Ų64.614%0.14435%0.35CS..  trans-89.396.1174.5-55.7177.9000108.5Y130 V132 K143 L190 C193 L194Y130-I146 HydrophobicContact CD1-CG2 3.58Å; Y130-I146 HydrophobicContact CD2-CG2 4.08Å; Y130-I146 HydrophobicContact CE1-CG2 4.15Å; Y130-I146 HydrophobicContact CG-CG2 3.54Å; V132-I146 HydrophobicContact CG2-CB 4.44Å; V132-I146 HydrophobicContact CG2-CG1 4.16Å; V132-I146 HydrophobicContact CG2-CG2 4.44Å; K143-I146 PolarHBondContact O-N 3.46Å; I146-L190 HydrophobicContact CD1-CD2 3.66Å; I146-L190 HydrophobicContact CG1-CD2 3.72Å; I146-C193 HydrophobicContact CD1-CB 4.39Å; I146-L194 HydrophobicContact CD1-CD2 4.11Å; I146-L194 HydrophobicContact CD1-CG 4.24Å
147C84.8Confident86Confident49 Ų4969.1 Ų69.133%0.33138%0.381SS..EExtended strand (participates in β ladder)trans-98.4130-178.7-620000110.9Y130 V131 H145 F149 P154Y130-C147 CarbonylContact C-O 3.53Å; Y130-C147 WeakPolarHBondContact CA-O 3.45Å; V131-C147 PolarHBondContact N-O 3.3Å; V131-C147 PolarHBondContact O-N 3.14Å; H145-C147 PolarHBondContact O-N 3.06Å; C147-F149 PolarHBondContact O-N 2.97Å; C147-P154 HydrophobicContact CB-CB 4.5Å; C147-P154 HydrophobicContact CB-CG 4.28Å
148S81.7Confident85.9Confident82 Ų8272 Ų7257%0.57339%0.392SS*.EExtended strand (participates in β ladder)trans-68.3119.6157.8-67.80000107.4Y130 S150Y130-S148 WeakPolarHBondContact CE1-OG 3.43Å; S148-S150 PolarHBondContact O-N 3.26Å
149F73.3Confident85.8Confident12 Ų1272.9 Ų72.95%0.05340%0.401CS..PPolyproline II helixtrans-72.2121.3-174.4178-88.9000110.8L115 V119 Q123 V131 C147 G151 E152L115-F149 HydrophobicContact CD2-CE2 3.94Å; L115-F149 HydrophobicContact CD2-CZ 4.47Å; L115-F149 HydrophobicContact CG-CE2 4.18Å; L115-F149 HydrophobicContact CG-CZ 4.34Å; V119-F149 HydrophobicContact CB-CD1 3.77Å; V119-F149 HydrophobicContact CB-CE1 4.23Å; V119-F149 HydrophobicContact CB-CG 4.32Å; V119-F149 HydrophobicContact CG1-CB 3.89Å; V119-F149 HydrophobicContact CG1-CD1 3.58Å; V119-F149 HydrophobicContact CG1-CE1 4.46Å; V119-F149 HydrophobicContact CG1-CG 4.02Å; V119-F149 HydrophobicContact CG2-CB 4.31Å; V119-F149 HydrophobicContact CG2-CD1 3.93Å; V119-F149 HydrophobicContact CG2-CE1 4.38Å; V119-F149 HydrophobicContact CG2-CG 4.03Å; Q123-F149 PolarHBondContact NE2-O 3.41Å; Q123-F149 VanDerWaalsContact NE2-O 3.14Å; V131-F149 HydrophobicContact CB-CB 4.31Å; V131-F149 HydrophobicContact CB-CD2 4.36Å; V131-F149 HydrophobicContact CG2-CB 3.55Å; V131-F149 HydrophobicContact CG2-CD2 3.77Å; V131-F149 HydrophobicContact CG2-CG 3.92Å; C147-F149 PolarHBondContact O-N 2.97Å; F149-G151 VanDerWaalsContact CE1-CA 3.45Å; F149-E152 WeakPolarHBondContact CD2-O 3.47Å; F149-E152 VanDerWaalsContact CE2-O 3.3Å; F149-E152 WeakPolarHBondContact CE2-O 3.44Å
150S73.2Confident85.7Confident105 Ų10578 Ų7873%0.73443%0.425SS*.  trans-108.519.2-176.855.20000112.9S148S148-S150 PolarHBondContact O-N 3.26Å
151G71.9Confident85.9Confident49 Ų4977.8 Ų77.851%0.50542%0.418SS..SBendtrans95.5-18.9-176.100000114.2F149F149-G151 VanDerWaalsContact CE1-CA 3.45Å
152E75.8Confident86.2Confident155 Ų15571.6 Ų71.672%0.72439%0.389SS*.SBendtrans-92.3141.5175-66.6-176-173.500111.6F149 P154F149-E152 WeakPolarHBondContact CD2-O 3.47Å; F149-E152 VanDerWaalsContact CE2-O 3.3Å; F149-E152 WeakPolarHBondContact CE2-O 3.44Å; E152-P154 WeakPolarHBondContact O-CD 3.36Å
153T74.8Confident86.3Confident59 Ų5974.7 Ų74.736%0.36240%0.403SS..PPolyproline II helixtrans-69.5121.817644.60000109.7F110 P112 K155F110-T153 HydrophobicContact CE2-CG2 3.62Å; F110-T153 HydrophobicContact CZ-CG2 3.77Å; P112-T153 HydrophobicContact CB-CG2 4.22Å; T153-K155 PolarHBondContact O-N 3.48Å
154P76.1Confident86.6Confident24 Ų2470.5 Ų70.516%0.15639%0.388CS..PPolyproline II helixtrans-62.3124.6179.8-22.333.7000110.3V131 C147 E152V131-P154 HydrophobicContact CB-CG 3.98Å; V131-P154 HydrophobicContact CG1-CG 3.75Å; C147-P154 HydrophobicContact CB-CB 4.5Å; C147-P154 HydrophobicContact CB-CG 4.28Å; E152-P154 WeakPolarHBondContact O-CD 3.36Å
155K83.1Confident87Confident207 Ų20763.1 Ų63.190%0.935%0.354SS*.PPolyproline II helixtrans-82.8131.9170.5-67.9-179.7-179.41760109T153T153-K155 PolarHBondContact O-N 3.48Å
156C89.9Confident87.2Confident16 Ų1662.4 Ų62.411%0.10835%0.352CS..  trans-110.1126.2174.7-1710000110.4D133 A135 Y158 A159D133-C156 HydrophobicContact CB-CB 3.51Å; A135-C156 HydrophobicContact CB-CB 4.42Å; C156-Y158 PolarHBondContact O-N 3.27Å; C156-Y158 VanDerWaalsContact O-N 3.15Å; C156-A159 VanDerWaalsContact O-CB 3.31Å; C156-A159 WeakPolarHBondContact O-CB 3.29Å; C156-A159 PolarHBondContact O-N 3.34Å; C156-A159 VanDerWaalsContact O-N 3.14Å
157S92.1Very high87.4Confident95 Ų9566.8 Ų66.866%0.66438%0.376SS*.THydrogen-bonded Turntrans-59.1-23.7175.949.30000113.2
158Y95.3Very high88Confident61 Ų6165.2 Ų65.224%0.23937%0.365CS..THydrogen-bonded Turntrans-94.92.9-177.8-57.5-66.2000113.7A135 F138 A139 H145 C156 Q160 Q161 F162A135-Y158 WeakPolarHBondContact CB-O 3.24Å; A135-Y158 VanDerWaalsContact O-CB 3.3Å; A135-Y158 WeakPolarHBondContact O-CB 3.41Å; F138-Y158 HydrophobicContact CB-CD1 3.84Å; F138-Y158 HydrophobicContact CB-CD2 4.4Å; F138-Y158 HydrophobicContact CB-CE1 4.31Å; F138-Y158 HydrophobicContact CB-CG 3.83Å; A139-Y158 HydrophobicContact CB-CD2 4.05Å; A139-Y158 HydrophobicContact CB-CE2 3.48Å; A139-Y158 VanDerWaalsContact CB-CE2 3.48Å; H145-Y158 AromaticContact CE1-CD2 3.93Å; H145-Y158 AromaticContact CE1-CE2 3.78Å; H145-Y158 AromaticContact NE2-CE2 3.57Å; C156-Y158 PolarHBondContact O-N 3.27Å; C156-Y158 VanDerWaalsContact O-N 3.15Å; Y158-Q160 VanDerWaalsContact C-N 3.27Å; Y158-Q160 PolarHBondContact O-N 3.15Å; Y158-Q161 WeakPolarHBondContact O-CB 3.47Å; Y158-Q161 PolarHBondContact O-N 3.47Å; Y158-Q161 VanDerWaalsContact O-N 3.08Å; Y158-F162 PolarHBondContact O-N 2.94Å; Y158-F162 VanDerWaalsContact O-N 3.07Å
159A94.1Very high88.6Confident27 Ų2762.2 Ų62.222%0.22334%0.344CS..Hα-helixtrans-54.3-41.9-175.500000112.9S106 C156 F162 Q163S106-A159 WeakPolarHBondContact OG-CB 3.2Å; C156-A159 VanDerWaalsContact O-CB 3.31Å; C156-A159 WeakPolarHBondContact O-CB 3.29Å; C156-A159 PolarHBondContact O-N 3.34Å; C156-A159 VanDerWaalsContact O-N 3.14Å; A159-F162 PolarHBondContact O-N 2.92Å; A159-Q163 PolarHBondContact O-N 3.37Å
160Q94.9Very high89.7Confident109 Ų10965.6 Ų65.651%0.50937%0.366SS..Hα-helixtrans-64.1-44.1177.9-171.661.247.900111.9Y158 F162 Q163 D164Y158-Q160 VanDerWaalsContact C-N 3.27Å; Y158-Q160 PolarHBondContact O-N 3.15Å; Q160-F162 VanDerWaalsContact C-N 3.3Å; Q160-F162 PolarHBondContact O-N 3.25Å; Q160-Q163 WeakPolarHBondContact O-CB 3.25Å; Q160-Q163 PolarHBondContact O-N 3.49Å; Q160-Q163 VanDerWaalsContact O-N 3.12Å; Q160-D164 PolarHBondContact NE2-OD1 3.38Å; Q160-D164 PolarHBondContact O-N 3.47Å
161Q96.9Very high90.7Very high71 Ų7162.9 Ų62.933%0.33235%0.347SS..Hα-helixtrans-61.3-40.4177.8-66.7-178.2-32.900111.6F138 Y158 Q163 D164 L165 L363F138-Q161 HydrophobicContact CD2-CB 4.13Å; F138-Q161 HydrophobicContact CE2-CB 3.93Å; F138-Q161 HydrophobicContact CZ-CB 4.12Å; Y158-Q161 WeakPolarHBondContact O-CB 3.47Å; Y158-Q161 PolarHBondContact O-N 3.47Å; Y158-Q161 VanDerWaalsContact O-N 3.08Å; Q161-Q163 VanDerWaalsContact C-N 3.33Å; Q161-D164 PolarHBondContact O-N 3.3Å; Q161-L165 WeakPolarHBondContact O-CB 3.37Å; Q161-L165 PolarHBondContact O-N 2.94Å; Q161-L363 HydrophobicContact CB-CD1 4.48Å; Q161-L363 HydrophobicContact CB-CD2 4.1Å; Q161-L363 HydrophobicContact CG-CD2 4.14Å; Q161-L363 WeakPolarHBondContact O-CD1 3.45Å
162F96.7Very high91.7Very high2 Ų261.2 Ų61.21%0.00933%0.33CS..Hα-helixtrans-65.7-39.2176.1-166.8-92.3000111.8F105 A134 A135 I137 F138 Y158 A159 Q160 L165 C166 L182F105-F162 HydrophobicContact CD1-CE1 4.08Å; F105-F162 HydrophobicContact CD1-CZ 4.2Å; F105-F162 HydrophobicContact CE1-CZ 4.26Å; A134-F162 HydrophobicContact CB-CE1 4.13Å; A134-F162 HydrophobicContact CB-CE2 4.03Å; A134-F162 HydrophobicContact CB-CZ 3.79Å; A135-F162 HydrophobicContact CB-CB 3.52Å; A135-F162 HydrophobicContact CB-CD2 4.43Å; A135-F162 HydrophobicContact CB-CG 4.07Å; I137-F162 HydrophobicContact CG2-CD2 4.22Å; I137-F162 HydrophobicContact CG2-CE2 4.4Å; F138-F162 HydrophobicContact CE2-CB 3.97Å; F138-F162 HydrophobicContact CE2-CD2 4.09Å; Y158-F162 PolarHBondContact O-N 2.94Å; Y158-F162 VanDerWaalsContact O-N 3.07Å; A159-F162 PolarHBondContact O-N 2.92Å; Q160-F162 VanDerWaalsContact C-N 3.3Å; Q160-F162 PolarHBondContact O-N 3.25Å; F162-L165 PolarHBondContact O-N 3.44Å; F162-C166 VanDerWaalsContact CE1-SG 3.58Å; F162-C166 WeakPolarHBondContact O-CB 3.35Å; F162-C166 PolarHBondContact O-N 2.91Å; F162-C166 PolarHBondContact O-SG 2.79Å; F162-L182 HydrophobicContact CE2-CD1 3.9Å
163Q95.6Very high92.6Very high73 Ų7355.4 Ų55.434%0.34131%0.305SS..Hα-helixtrans-64.7-45.1174.8-172.5172.918.200112.2A159 Q160 Q161 L165 C166 N167A159-Q163 PolarHBondContact O-N 3.37Å; Q160-Q163 WeakPolarHBondContact O-CB 3.25Å; Q160-Q163 PolarHBondContact O-N 3.49Å; Q160-Q163 VanDerWaalsContact O-N 3.12Å; Q161-Q163 VanDerWaalsContact C-N 3.33Å; Q163-L165 VanDerWaalsContact C-N 3.31Å; Q163-L165 PolarHBondContact O-N 3.5Å; Q163-C166 PolarHBondContact O-N 3Å; Q163-N167 WeakPolarHBondContact O-CB 3.36Å; Q163-N167 PolarHBondContact O-N 3.24Å; Q163-N167 PolarHBondContact O-ND2 3.05Å
164D97.2Very high93.7Very high70 Ų7052.8 Ų52.837%0.37429%0.289SS..Hα-helixtrans-61.6-41.5177.5-63.9-20.4000111Q160 Q161 N167 S168 L363Q160-D164 PolarHBondContact NE2-OD1 3.38Å; Q160-D164 PolarHBondContact O-N 3.47Å; Q161-D164 PolarHBondContact O-N 3.3Å; D164-N167 PolarHBondContact O-N 3.26Å; D164-S168 WeakPolarHBondContact O-CB 2.87Å; D164-S168 PolarHBondContact O-N 2.88Å; D164-L363 HydrophobicContact CB-CD1 4.06Å
165L97.2Very high94.6Very high0 Ų054.2 Ų54.20%030%0.295CS..Hα-helixtrans-60.3-48.5174178.762.2000111.6F138 Q161 F162 Q163 N167 S168 L178 L182 V358 A360 L363 M364 I367F138-L165 HydrophobicContact CZ-CB 4.39Å; F138-L165 HydrophobicContact CZ-CD2 3.91Å; Q161-L165 WeakPolarHBondContact O-CB 3.37Å; Q161-L165 PolarHBondContact O-N 2.94Å; F162-L165 PolarHBondContact O-N 3.44Å; Q163-L165 VanDerWaalsContact C-N 3.31Å; Q163-L165 PolarHBondContact O-N 3.5Å; L165-N167 VanDerWaalsContact C-N 3.34Å; L165-N167 PolarHBondContact O-N 2.92Å; L165-S168 PolarHBondContact O-N 2.97Å; L165-S168 PolarHBondContact O-OG 3.43Å; L165-L178 HydrophobicContact CD1-CD2 4.16Å; L165-L178 HydrophobicContact CD2-CD2 4.24Å; L165-L178 HydrophobicContact CG-CD2 4Å; L165-L182 HydrophobicContact CD2-CD1 3.76Å; L165-V358 HydrophobicContact CD1-CG1 3.54Å; L165-A360 HydrophobicContact CD1-CB 4.24Å; L165-L363 HydrophobicContact CB-CD1 4.06Å; L165-L363 HydrophobicContact CD1-CB 4.33Å; L165-M364 HydrophobicContact CD1-CG 3.64Å; L165-M364 HydrophobicContact CD1-SD 3.79Å; L165-M364 HydrophobicContact CD2-SD 4.08Å; L165-I367 HydrophobicContact CD2-CD1 3.69Å
166C95.2Very high95.1Very high17 Ų1747.3 Ų47.312%0.11527%0.268CS..Hα-helixtrans-60.3-43.1177.2-73.40000112.1F162 Q163 S168 C169 L175F162-C166 VanDerWaalsContact CE1-SG 3.58Å; F162-C166 WeakPolarHBondContact O-CB 3.35Å; F162-C166 PolarHBondContact O-N 2.91Å; F162-C166 PolarHBondContact O-SG 2.79Å; Q163-C166 PolarHBondContact O-N 3Å; C166-S168 PolarHBondContact O-N 2.93Å; C166-C169 WeakPolarHBondContact O-CB 3.49Å; C166-C169 PolarHBondContact O-N 3.41Å; C166-L175 HydrophobicContact CB-CD1 3.61Å
167N95.6Very high95.4Very high119 Ų11947 Ų4764%0.63627%0.265SS*.Hα-helixtrans-68.5-23.7179.2-69.8-18.4000112.9Q163 D164 L165 C169Q163-N167 WeakPolarHBondContact O-CB 3.36Å; Q163-N167 PolarHBondContact O-N 3.24Å; Q163-N167 PolarHBondContact O-ND2 3.05Å; D164-N167 PolarHBondContact O-N 3.26Å; L165-N167 VanDerWaalsContact C-N 3.34Å; L165-N167 PolarHBondContact O-N 2.92Å; N167-C169 VanDerWaalsContact C-N 3.27Å; N167-C169 PolarHBondContact O-N 3.38Å
168S96.5Very high95.6Very high16 Ų1642.5 Ų42.511%0.11223%0.233CC..THydrogen-bonded Turntrans-80.8-0.3177.778.70000114.5D164 L165 C166 V358 D359 A360D164-S168 WeakPolarHBondContact O-CB 2.87Å; D164-S168 PolarHBondContact O-N 2.88Å; L165-S168 PolarHBondContact O-N 2.97Å; L165-S168 PolarHBondContact O-OG 3.43Å; C166-S168 PolarHBondContact O-N 2.93Å; S168-V358 WeakPolarHBondContact OG-CG1 3.26Å; S168-D359 PolarHBondContact O-N 2.65Å; S168-A360 VanDerWaalsContact OG-CB 3.24Å; S168-A360 WeakPolarHBondContact OG-CB 3.49Å; S168-A360 PolarHBondContact OG-N 2.89Å
169C96.2Very high95.6Very high19 Ų1940.6 Ų40.613%0.12823%0.228CC..BIsolated β-bridgetrans-77.6131.1177.1-660000110.8C166 N167 S171 V174 L175C166-C169 WeakPolarHBondContact O-CB 3.49Å; C166-C169 PolarHBondContact O-N 3.41Å; N167-C169 VanDerWaalsContact C-N 3.27Å; N167-C169 PolarHBondContact O-N 3.38Å; C169-S171 PolarHBondContact O-N 3.02Å; C169-V174 HydrophobicContact CB-CB 4.34Å; C169-V174 HydrophobicContact CB-CG1 4.06Å; C169-L175 HydrophobicContact CB-CB 4.06Å
170T95.2Very high95.6Very high84 Ų8442.4 Ų42.452%0.51523%0.229SC..SBendtrans-66.5-21-177.858.30000114.8Q357T170-Q357 HydrophobicContact CG2-CB 4.33Å; T170-Q357 WeakPolarHBondContact CG2-O 3.37Å; T170-Q357 PolarHBondContact N-O 3.34Å; T170-Q357 VanDerWaalsContact N-O 3.15Å; T170-Q357 PolarHBondContact OG1-O 3.27Å; T170-Q357 PolarHBondContact OG1-OE1 3.33Å
171S94.3Very high95.7Very high47 Ų4737.6 Ų37.633%0.32921%0.207SC..SBendtrans-154.5162.3-177.969.10000112.9C169 T173 V174 L175C169-S171 PolarHBondContact O-N 3.02Å; S171-T173 PolarHBondContact O-N 3.31Å; S171-V174 PolarHBondContact O-N 3.15Å; S171-V174 WeakPolarHBondContact OG-CG2 3.26Å; S171-V174 PolarHBondContact OG-N 2.87Å; S171-L175 PolarHBondContact O-N 2.75Å
172G92.9Very high95.7Very high14 Ų1434.4 Ų34.414%0.14419%0.192CC..Hα-helixtrans-58.9-31.817300000113.3N176G172-N176 WeakPolarHBondContact O-CB 3.29Å; G172-N176 PolarHBondContact O-N 3.46Å; G172-N176 PolarHBondContact O-ND2 2.82Å
173T95.6Very high95.8Very high34 Ų3436 Ų3621%0.20920%0.199CC..Hα-helixtrans-62.5-47.4174.8-66.90000111.7S171 E177 Q218 I282 Q283S171-T173 PolarHBondContact O-N 3.31Å; T173-E177 WeakPolarHBondContact O-CB 3.37Å; T173-E177 PolarHBondContact O-N 2.92Å; T173-E177 VanDerWaalsContact O-N 3.07Å; T173-Q218 HydrophobicContact CG2-CG 4.32Å; T173-I282 HydrophobicContact CG2-CB 4.41Å; T173-I282 HydrophobicContact CG2-CG2 3.46Å; T173-I282 VanDerWaalsContact CG2-CG2 3.46Å; T173-I282 PolarHBondContact OG1-N 3.18Å; T173-Q283 PolarHBondContact O-NE2 2.92Å
174V96.4Very high95.8Very high3 Ų333 Ų332%0.01819%0.185CC..Hα-helixtrans-65.5-44.4179.2175.90000110.2C169 S171 E177 L178 I354 Q357 V358C169-V174 HydrophobicContact CB-CB 4.34Å; C169-V174 HydrophobicContact CB-CG1 4.06Å; S171-V174 PolarHBondContact O-N 3.15Å; S171-V174 WeakPolarHBondContact OG-CG2 3.26Å; S171-V174 PolarHBondContact OG-N 2.87Å; V174-E177 PolarHBondContact O-N 3.46Å; V174-L178 WeakPolarHBondContact O-CB 3.23Å; V174-L178 PolarHBondContact O-N 2.94Å; V174-I354 HydrophobicContact CG1-CG2 4.16Å; V174-Q357 HydrophobicContact CG1-CB 4.12Å; V174-Q357 HydrophobicContact CG2-CB 3.77Å; V174-Q357 HydrophobicContact CG2-CG 4.37Å; V174-Q357 VanDerWaalsContact CG2-OE1 3.3Å; V174-V358 HydrophobicContact CG1-CG2 3.9Å
175L95.1Very high95.8Very high54 Ų5429.7 Ų29.728%0.28317%0.167SC..Hα-helixtrans-58.1-51177.6176.161.1000112C166 C169 S171 E177 L178 T179C166-L175 HydrophobicContact CB-CD1 3.61Å; C169-L175 HydrophobicContact CB-CB 4.06Å; S171-L175 PolarHBondContact O-N 2.75Å; L175-E177 PolarHBondContact O-N 3.45Å; L175-L178 PolarHBondContact O-N 3.05Å; L175-T179 VanDerWaalsContact O-CB 3.23Å; L175-T179 WeakPolarHBondContact O-CB 3.22Å; L175-T179 PolarHBondContact O-N 2.9Å; L175-T179 PolarHBondContact O-OG1 2.86Å
176N93.9Very high95.9Very high63 Ų6329.7 Ų29.734%0.33717%0.167SC..Hα-helixtrans-62.5-43.9-179.6-83.6-84000111.7G172 Y180 Q283G172-N176 WeakPolarHBondContact O-CB 3.29Å; G172-N176 PolarHBondContact O-N 3.46Å; G172-N176 PolarHBondContact O-ND2 2.82Å; N176-Y180 WeakPolarHBondContact O-CB 3.47Å; N176-Y180 PolarHBondContact O-N 3.5Å; N176-Q283 HydrophobicContact CB-CG 4.36Å
177E95.9Very high96Very high8 Ų828.9 Ų28.94%0.03716%0.162CC..Hα-helixtrans-66.8-47.5-179.8-16963.6-153.400111.2T173 V174 L175 T179 Y180 R181 Q218 R220 Q283 I354T173-E177 WeakPolarHBondContact O-CB 3.37Å; T173-E177 PolarHBondContact O-N 2.92Å; T173-E177 VanDerWaalsContact O-N 3.07Å; V174-E177 PolarHBondContact O-N 3.46Å; L175-E177 PolarHBondContact O-N 3.45Å; E177-T179 PolarHBondContact O-N 3.06Å; E177-Y180 PolarHBondContact O-N 3.04Å; E177-R181 WeakPolarHBondContact O-CG 3.41Å; E177-R181 PolarHBondContact O-N 3.44Å; E177-R181 IonicContact OE1-CZ 3.85Å; E177-R181 IonicContact OE1-NE 3.76Å; E177-R181 PolarHBondContact OE1-NE 3Å; E177-R181 IonicContact OE1-NH2 3.05Å; E177-R181 PolarHBondContact OE1-NH2 3.42Å; E177-Q218 PolarHBondContact OE2-NE2 3.19Å; E177-Q218 PolarHBondContact OE2-OE1 2.81Å; E177-R220 IonicContact OE1-CZ 3.27Å; E177-R220 VanDerWaalsContact OE1-CZ 3.29Å; E177-R220 IonicContact OE1-NE 3.44Å; E177-R220 PolarHBondContact OE1-NE 3.3Å; E177-R220 VanDerWaalsContact OE1-NE 3.15Å; E177-R220 IonicContact OE1-NH1 2.66Å; E177-R220 IonicContact OE1-NH2 3.01Å; E177-Q283 PolarHBondContact OE2-NE2 3.49Å; E177-I354 HydrophobicContact CB-CD1 3.88Å; E177-I354 HydrophobicContact CG-CD1 3.27Å; E177-I354 HydrophobicContact CG-CG1 4.22Å
178L96.1Very high96.1Very high1 Ų123.2 Ų23.21%0.00513%0.132CC..Hα-helixtrans-57.8-50.1176.9178.262000110.7L165 V174 L175 Y180 R181 L182 I354 V358 M364L165-L178 HydrophobicContact CD1-CD2 4.16Å; L165-L178 HydrophobicContact CD2-CD2 4.24Å; L165-L178 HydrophobicContact CG-CD2 4Å; V174-L178 WeakPolarHBondContact O-CB 3.23Å; V174-L178 PolarHBondContact O-N 2.94Å; L175-L178 PolarHBondContact O-N 3.05Å; L178-Y180 VanDerWaalsContact C-N 3.28Å; L178-Y180 PolarHBondContact O-N 3.11Å; L178-R181 PolarHBondContact O-N 2.89Å; L178-L182 HydrophobicContact CD1-CD1 4.04Å; L178-L182 HydrophobicContact CD1-CD2 4.28Å; L178-L182 HydrophobicContact CD1-CG 3.96Å; L178-L182 HydrophobicContact CG-CD1 3.95Å; L178-L182 HydrophobicContact CG-CG 4.22Å; L178-L182 WeakPolarHBondContact O-CG 3.5Å; L178-L182 PolarHBondContact O-N 3.02Å; L178-I354 HydrophobicContact CB-CG2 4.13Å; L178-I354 HydrophobicContact CD1-CG2 4.14Å; L178-V358 HydrophobicContact CD2-CG2 3.96Å; L178-M364 HydrophobicContact CD1-CE 3.74Å; L178-M364 HydrophobicContact CD1-SD 3.7Å; L178-M364 HydrophobicContact CD2-SD 4.27Å
179T95.5Very high96.1Very high21 Ų2122.6 Ų22.613%0.12913%0.127CC..Hα-helixtrans-57-43179.7-58.40000111.3F105 L175 E177 K183F105-T179 HydrophobicContact CD1-CG2 4.05Å; F105-T179 HydrophobicContact CE1-CG2 3.37Å; F105-T179 HydrophobicContact CZ-CG2 4.01Å; L175-T179 VanDerWaalsContact O-CB 3.23Å; L175-T179 WeakPolarHBondContact O-CB 3.22Å; L175-T179 PolarHBondContact O-N 2.9Å; L175-T179 PolarHBondContact O-OG1 2.86Å; E177-T179 PolarHBondContact O-N 3.06Å; T179-K183 WeakPolarHBondContact O-CB 3.28Å; T179-K183 PolarHBondContact O-N 2.68Å
180Y95.5Very high96.2Very high65 Ų6521.7 Ų21.726%0.25512%0.121SC..Hα-helixtrans-61.5-46.3174.9175.2-103.8000112.1N176 E177 L178 K183 M184N176-Y180 WeakPolarHBondContact O-CB 3.47Å; N176-Y180 PolarHBondContact O-N 3.5Å; E177-Y180 PolarHBondContact O-N 3.04Å; L178-Y180 VanDerWaalsContact C-N 3.28Å; L178-Y180 PolarHBondContact O-N 3.11Å; Y180-K183 PolarHBondContact O-N 3.45Å; Y180-M184 HydrophobicContact CD2-CE 4.47Å; Y180-M184 HydrophobicContact CE1-CG 4.07Å; Y180-M184 HydrophobicContact CE2-CE 4.03Å; Y180-M184 HydrophobicContact CE2-CG 4.07Å; Y180-M184 HydrophobicContact CE2-SD 4.13Å; Y180-M184 WeakPolarHBondContact O-CG 3.32Å; Y180-M184 PolarHBondContact O-N 2.91Å
181R96.2Very high96.3Very high8 Ų817.7 Ų17.73%0.0310%0.096CC..Hα-helixtrans-64.6-42179.3-60.7-48.6170171.7-7.7112.4E177 L178 K183 M184 A185 E227 L327E177-R181 WeakPolarHBondContact O-CG 3.41Å; E177-R181 PolarHBondContact O-N 3.44Å; E177-R181 IonicContact OE1-CZ 3.85Å; E177-R181 IonicContact OE1-NE 3.76Å; E177-R181 PolarHBondContact OE1-NE 3Å; E177-R181 IonicContact OE1-NH2 3.05Å; E177-R181 PolarHBondContact OE1-NH2 3.42Å; L178-R181 PolarHBondContact O-N 2.89Å; R181-K183 VanDerWaalsContact C-N 3.35Å; R181-M184 PolarHBondContact O-N 3.27Å; R181-A185 WeakPolarHBondContact O-CB 3.46Å; R181-A185 PolarHBondContact O-N 3.07Å; R181-E227 IonicContact CZ-OE1 3.33Å; R181-E227 VanDerWaalsContact CZ-OE1 3.27Å; R181-E227 IonicContact CZ-OE2 3.15Å; R181-E227 IonicContact NH1-OE1 2.91Å; R181-E227 PolarHBondContact NH1-OE1 3.31Å; R181-E227 IonicContact NH1-OE2 2.69Å; R181-E227 IonicContact NH2-OE1 3.71Å; R181-E227 PolarHBondContact NH2-OE1 3.14Å; R181-E227 IonicContact NH2-OE2 3.01Å; R181-E227 PolarHBondContact NH2-OE2 2.77Å; R181-L327 HydrophobicContact CB-CG 4.42Å
182L97.5Very high96.3Very high4 Ų417 Ų172%0.0219%0.091CC..Hα-helixtrans-64.9-39.6176.1-63.7-176.6000111.5I137 F162 L165 L178 M184 A185 L186 L327 I367I137-L182 HydrophobicContact CG1-CD2 4.39Å; F162-L182 HydrophobicContact CE2-CD1 3.9Å; L165-L182 HydrophobicContact CD2-CD1 3.76Å; L178-L182 HydrophobicContact CD1-CD1 4.04Å; L178-L182 HydrophobicContact CD1-CD2 4.28Å; L178-L182 HydrophobicContact CD1-CG 3.96Å; L178-L182 HydrophobicContact CG-CD1 3.95Å; L178-L182 HydrophobicContact CG-CG 4.22Å; L178-L182 WeakPolarHBondContact O-CG 3.5Å; L178-L182 PolarHBondContact O-N 3.02Å; L182-M184 PolarHBondContact O-N 2.96Å; L182-A185 PolarHBondContact O-N 3.3Å; L182-L186 VanDerWaalsContact O-CB 3.28Å; L182-L186 WeakPolarHBondContact O-CB 3.31Å; L182-L186 PolarHBondContact O-N 3.35Å; L182-L327 HydrophobicContact CD2-CD1 4.36Å; L182-I367 HydrophobicContact CD1-CD1 4.25Å; L182-I367 HydrophobicContact CD2-CD1 3.98Å; L182-I367 HydrophobicContact CD2-CG2 3.88Å
183K97.4Very high96.4Very high35 Ų3518.5 Ų18.515%0.15210%0.099CC..Hα-helixtrans-60.8-45.4173.9-168.2-177.778.6151.90112E68 I103 F105 T179 Y180 R181 L186 L187E68-K183 WeakPolarHBondContact OE1-CD 2.95Å; E68-K183 WeakPolarHBondContact OE1-CE 3.44Å; E68-K183 IonicContact OE1-NZ 3.86Å; E68-K183 PolarHBondContact OE1-NZ 2.72Å; E68-K183 WeakPolarHBondContact OE2-CE 3.36Å; E68-K183 IonicContact OE2-NZ 3.07Å; E68-K183 PolarHBondContact OE2-NZ 3.02Å; I103-K183 HydrophobicContact CG1-CG 4.46Å; I103-K183 HydrophobicContact CG2-CG 4.44Å; F105-K183 HydrophobicContact CE2-CD 4.47Å; F105-K183 HydrophobicContact CZ-CB 4.47Å; F105-K183 HydrophobicContact CZ-CD 4.06Å; F105-K183 HydrophobicContact CZ-CG 4.34Å; T179-K183 WeakPolarHBondContact O-CB 3.28Å; T179-K183 PolarHBondContact O-N 2.68Å; Y180-K183 PolarHBondContact O-N 3.45Å; R181-K183 VanDerWaalsContact C-N 3.35Å; K183-L186 PolarHBondContact O-N 3.02Å; K183-L187 WeakPolarHBondContact O-CG 3.38Å; K183-L187 PolarHBondContact O-N 3.17Å
184M97.4Very high96.3Very high11 Ų1119.2 Ų19.25%0.05410%0.101CC..Hα-helixtrans-63.8-43.6177.4-66.1-58.398.400111.7Y180 R181 L182 L186 L187 Y188 L201 W235 F240Y180-M184 HydrophobicContact CD2-CE 4.47Å; Y180-M184 HydrophobicContact CE1-CG 4.07Å; Y180-M184 HydrophobicContact CE2-CE 4.03Å; Y180-M184 HydrophobicContact CE2-CG 4.07Å; Y180-M184 HydrophobicContact CE2-SD 4.13Å; Y180-M184 WeakPolarHBondContact O-CG 3.32Å; Y180-M184 PolarHBondContact O-N 2.91Å; R181-M184 PolarHBondContact O-N 3.27Å; L182-M184 PolarHBondContact O-N 2.96Å; M184-L186 VanDerWaalsContact C-N 3.31Å; M184-L186 PolarHBondContact O-N 3.37Å; M184-L187 HydrophobicContact CE-CD1 3.66Å; M184-L187 PolarHBondContact O-N 2.91Å; M184-Y188 PolarHBondContact O-N 3.46Å; M184-L201 HydrophobicContact CE-CD2 4.09Å; M184-L201 HydrophobicContact SD-CD1 3.89Å; M184-L201 HydrophobicContact SD-CD2 4.21Å; M184-W235 HydrophobicContact CB-CZ2 4.37Å; M184-F240 HydrophobicContact SD-CD1 4.47Å; M184-F240 HydrophobicContact SD-CE1 4.19Å
185A97.1Very high96.3Very high0 Ų027.7 Ų27.70%014%0.138CC..Hα-helixtrans-60-41.7174.400000111.8I137 R181 L182 Y188 R189 W235 M371I137-A185 HydrophobicContact CD1-CB 4.1Å; R181-A185 WeakPolarHBondContact O-CB 3.46Å; R181-A185 PolarHBondContact O-N 3.07Å; L182-A185 PolarHBondContact O-N 3.3Å; A185-Y188 WeakPolarHBondContact O-CB 3.4Å; A185-Y188 PolarHBondContact O-N 3.11Å; A185-R189 WeakPolarHBondContact O-CG 3.38Å; A185-R189 PolarHBondContact O-N 2.98Å; A185-W235 HydrophobicContact CB-CH2 4Å; A185-M371 HydrophobicContact CB-CE 3.57Å; A185-M371 HydrophobicContact CB-SD 3.86Å
186L97.6Very high96.3Very high1 Ų125.5 Ų25.51%0.00513%0.126CC..Hα-helixtrans-64.2-46.3177.5-175.460.6000111.9I103 V132 S136 I137 I142 L182 K183 M184 Y188 R189 L190I103-L186 HydrophobicContact CD1-CD2 3.91Å; I103-L186 HydrophobicContact CD1-CG 4.32Å; I103-L186 HydrophobicContact CG2-CD2 3.91Å; V132-L186 HydrophobicContact CG1-CD2 4.42Å; S136-L186 WeakPolarHBondContact OG-CD1 3.44Å; I137-L186 HydrophobicContact CB-CD1 4.49Å; I137-L186 HydrophobicContact CD1-CB 4.22Å; I137-L186 HydrophobicContact CD1-CD1 4.4Å; I142-L186 HydrophobicContact CD1-CD1 3.3Å; I142-L186 HydrophobicContact CD1-CG 4.46Å; I142-L186 HydrophobicContact CG1-CD1 4.47Å; L182-L186 VanDerWaalsContact O-CB 3.28Å; L182-L186 WeakPolarHBondContact O-CB 3.31Å; L182-L186 PolarHBondContact O-N 3.35Å; K183-L186 PolarHBondContact O-N 3.02Å; M184-L186 VanDerWaalsContact C-N 3.31Å; M184-L186 PolarHBondContact O-N 3.37Å; L186-Y188 VanDerWaalsContact C-N 3.27Å; L186-Y188 PolarHBondContact O-N 3.31Å; L186-R189 PolarHBondContact O-N 3.5Å; L186-R189 VanDerWaalsContact O-N 3.11Å; L186-L190 HydrophobicContact CG-CD1 4.23Å; L186-L190 VanDerWaalsContact O-CG 3.31Å; L186-L190 WeakPolarHBondContact O-CG 3.21Å; L186-L190 PolarHBondContact O-N 2.83Å
187L98.2Very high96.3Very high0 Ų026.6 Ų26.60%013%0.132CC..Hα-helixtrans-58.9-39.1175.1-71.8173.2000112L66 E68 V101 I103 K183 M184 L190 A191 V199 L201 F240L66-L187 HydrophobicContact CD2-CD2 4.13Å; E68-L187 HydrophobicContact CB-CD1 4.47Å; E68-L187 HydrophobicContact CB-CD2 4.32Å; E68-L187 HydrophobicContact CG-CD2 4.44Å; V101-L187 HydrophobicContact CG1-CD2 3.98Å; I103-L187 HydrophobicContact CD1-CD2 4.25Å; I103-L187 HydrophobicContact CG1-CD2 4.22Å; K183-L187 WeakPolarHBondContact O-CG 3.38Å; K183-L187 PolarHBondContact O-N 3.17Å; M184-L187 HydrophobicContact CE-CD1 3.66Å; M184-L187 PolarHBondContact O-N 2.91Å; L187-L190 PolarHBondContact O-N 3.25Å; L187-A191 WeakPolarHBondContact O-CB 3.23Å; L187-A191 PolarHBondContact O-N 3.2Å; L187-V199 HydrophobicContact CB-CG1 4.23Å; L187-V199 HydrophobicContact CD1-CG1 4.25Å; L187-L201 HydrophobicContact CD1-CD2 3.71Å; L187-F240 HydrophobicContact CB-CE1 4.05Å; L187-F240 HydrophobicContact CB-CZ 4.18Å; L187-F240 HydrophobicContact CD1-CE1 4.43Å
188Y97.7Very high96.4Very high0 Ų027.2 Ų27.20%014%0.135CC..Hα-helixtrans-61-47.9173166.2-109.3000111.7M184 A185 L186 L190 A191 C192 W235 V236 V238 M371 Q374 K375 S378M184-Y188 PolarHBondContact O-N 3.46Å; A185-Y188 WeakPolarHBondContact O-CB 3.4Å; A185-Y188 PolarHBondContact O-N 3.11Å; L186-Y188 VanDerWaalsContact C-N 3.27Å; L186-Y188 PolarHBondContact O-N 3.31Å; Y188-L190 VanDerWaalsContact C-N 3.31Å; Y188-L190 PolarHBondContact O-N 2.86Å; Y188-A191 PolarHBondContact O-N 3.33Å; Y188-C192 WeakPolarHBondContact CE2-SG 3.44Å; Y188-C192 VanDerWaalsContact CZ-SG 3.56Å; Y188-C192 PolarHBondContact O-N 3.05Å; Y188-C192 PolarHBondContact O-SG 3.41Å; Y188-W235 HydrophobicContact CD1-CD2 4.46Å; Y188-W235 AromaticContact CD1-CE3 3.49Å; Y188-W235 HydrophobicContact CD1-CE3 3.49Å; Y188-W235 VanDerWaalsContact CD1-CE3 3.49Å; Y188-W235 AromaticContact CD1-CZ3 3.69Å; Y188-W235 HydrophobicContact CD1-CZ3 3.69Å; Y188-W235 HydrophobicContact CD2-CB 3.72Å; Y188-W235 HydrophobicContact CD2-CD2 4.13Å; Y188-W235 AromaticContact CD2-CE3 3.79Å; Y188-W235 HydrophobicContact CD2-CE3 3.79Å; Y188-W235 HydrophobicContact CD2-CG 4.14Å; Y188-W235 HydrophobicContact CE1-CE3 4Å; Y188-W235 HydrophobicContact CE1-CZ3 4.3Å; Y188-W235 HydrophobicContact CE2-CB 4.07Å; Y188-W235 HydrophobicContact CE2-CE3 4.27Å; Y188-W235 HydrophobicContact CG-CB 4.4Å; Y188-W235 AromaticContact CG-CD2 3.91Å; Y188-W235 HydrophobicContact CG-CD2 3.91Å; Y188-W235 AromaticContact CG-CE3 3.36Å; Y188-W235 HydrophobicContact CG-CE3 3.36Å; Y188-W235 HydrophobicContact CG-CG 4.36Å; Y188-W235 AromaticContact CG-CZ3 3.93Å; Y188-W235 HydrophobicContact CG-CZ3 3.93Å; Y188-V236 WeakPolarHBondContact CE2-O 3.47Å; Y188-V236 PolarHBondContact OH-O 3.43Å; Y188-V238 HydrophobicContact CD2-CB 3.88Å; Y188-V238 HydrophobicContact CD2-CG2 3.8Å; Y188-V238 HydrophobicContact CE2-CB 4.16Å; Y188-V238 HydrophobicContact CE2-CG2 3.83Å; Y188-M371 HydrophobicContact CD1-CE 4Å; Y188-Q374 HydrophobicContact CE1-CG 3.84Å; Y188-K375 HydrophobicContact CE1-CG 4.47Å; Y188-S378 WeakPolarHBondContact OH-CB 3.35Å; Y188-S378 PolarHBondContact OH-OG 2.92Å
189R96.9Very high96.5Very high2 Ų227.2 Ų27.21%0.00813%0.134CC..Hα-helixtrans-61.9-39.5178.1-67.7-176.271.8-151.6-8.9112.2S136 I137 A139 P140 I142 A185 L186 C192 C193 M371 Q374S136-R189 PolarHBondContact O-NH1 3Å; I137-R189 PolarHBondContact O-NH1 3.1Å; A139-R189 PolarHBondContact O-NH1 2.95Å; A139-R189 PolarHBondContact O-NH2 2.77Å; P140-R189 PolarHBondContact O-NH2 3.14Å; P140-R189 VanDerWaalsContact O-NH2 3.11Å; I142-R189 HydrophobicContact CD1-CB 3.98Å; A185-R189 WeakPolarHBondContact O-CG 3.38Å; A185-R189 PolarHBondContact O-N 2.98Å; L186-R189 PolarHBondContact O-N 3.5Å; L186-R189 VanDerWaalsContact O-N 3.11Å; R189-C192 PolarHBondContact O-N 3.01Å; R189-C193 VanDerWaalsContact O-CB 3.3Å; R189-C193 WeakPolarHBondContact O-CB 3.45Å; R189-C193 PolarHBondContact O-N 2.87Å; R189-M371 HydrophobicContact CG-SD 3.92Å; R189-Q374 HydrophobicContact CG-CG 4.42Å
190L97Very high96.6Very high1 Ų126.2 Ų26.21%0.00513%0.128CC..Hα-helixtrans-64.1-44.8175.2-70.7171.5000111.7L66 V101 I103 V132 I142 I146 L186 L187 Y188 C192 C193 L194L66-L190 HydrophobicContact CD2-CB 3.97Å; V101-L190 HydrophobicContact CG2-CD1 4.07Å; I103-L190 HydrophobicContact CD1-CD1 3.66Å; V132-L190 HydrophobicContact CB-CD1 4.39Å; V132-L190 HydrophobicContact CG1-CD1 4.39Å; V132-L190 HydrophobicContact CG1-CD2 4.22Å; V132-L190 HydrophobicContact CG2-CD1 4.23Å; V132-L190 HydrophobicContact CG2-CD2 3.86Å; I142-L190 HydrophobicContact CD1-CD2 3.48Å; I142-L190 VanDerWaalsContact CD1-CD2 3.48Å; I142-L190 HydrophobicContact CD1-CG 3.73Å; I142-L190 HydrophobicContact CG1-CD2 3.92Å; I146-L190 HydrophobicContact CD1-CD2 3.66Å; I146-L190 HydrophobicContact CG1-CD2 3.72Å; L186-L190 HydrophobicContact CG-CD1 4.23Å; L186-L190 VanDerWaalsContact O-CG 3.31Å; L186-L190 WeakPolarHBondContact O-CG 3.21Å; L186-L190 PolarHBondContact O-N 2.83Å; L187-L190 PolarHBondContact O-N 3.25Å; Y188-L190 VanDerWaalsContact C-N 3.31Å; Y188-L190 PolarHBondContact O-N 2.86Å; L190-C192 PolarHBondContact O-N 2.66Å; L190-C193 PolarHBondContact O-N 3.27Å; L190-L194 WeakPolarHBondContact O-CB 3.39Å; L190-L194 WeakPolarHBondContact O-CG 3.1Å; L190-L194 PolarHBondContact O-N 3.47Å
191A97.2Very high96.7Very high0 Ų023.2 Ų23.20%012%0.117CC..Hα-helixtrans-59.9-46.4176.300000111.5L66 L187 Y188 C193 L194 K195 L196 V199 V238L66-A191 HydrophobicContact CD2-CB 4.42Å; L187-A191 WeakPolarHBondContact O-CB 3.23Å; L187-A191 PolarHBondContact O-N 3.2Å; Y188-A191 PolarHBondContact O-N 3.33Å; A191-C193 PolarHBondContact O-N 3.2Å; A191-L194 CarbonylContact O-C 3.58Å; A191-L194 PolarHBondContact O-N 3.2Å; A191-K195 PolarHBondContact O-N 3.46Å; A191-L196 HydrophobicContact CB-CB 4.3Å; A191-L196 PolarHBondContact O-N 2.7Å; A191-V199 HydrophobicContact CB-CG2 3.7Å; A191-V238 HydrophobicContact CB-CB 4.48Å; A191-V238 HydrophobicContact CB-CG1 3.66Å; A191-V238 HydrophobicContact CB-CG2 3.94Å
192C95.6Very high96.7Very high32 Ų3223.8 Ų23.822%0.21612%0.121CC..Hα-helixtrans-59.8-46.5174.1-70.80000112.4Y188 R189 L190 L194 K195Y188-C192 WeakPolarHBondContact CE2-SG 3.44Å; Y188-C192 VanDerWaalsContact CZ-SG 3.56Å; Y188-C192 PolarHBondContact O-N 3.05Å; Y188-C192 PolarHBondContact O-SG 3.41Å; R189-C192 PolarHBondContact O-N 3.01Å; L190-C192 PolarHBondContact O-N 2.66Å; C192-L194 VanDerWaalsContact C-N 3.31Å; C192-L194 PolarHBondContact O-N 3.03Å; C192-K195 PolarHBondContact O-N 2.86Å
193C94.7Very high96.7Very high45 Ų4524.3 Ų24.330%0.30412%0.124SC..Hα-helixtrans-63-37.8-179.8-175.40000112.5I142 I146 R189 L190 A191I142-C193 HydrophobicContact CG2-CB 3.64Å; I146-C193 HydrophobicContact CD1-CB 4.39Å; R189-C193 VanDerWaalsContact O-CB 3.3Å; R189-C193 WeakPolarHBondContact O-CB 3.45Å; R189-C193 PolarHBondContact O-N 2.87Å; L190-C193 PolarHBondContact O-N 3.27Å; A191-C193 PolarHBondContact O-N 3.2Å
194L94.3Very high96.6Very high50 Ų5022.6 Ų22.626%0.26212%0.117SC..Hα-helixtrans-90.41.2-179.4-63.6174.4000113.1L66 V99 Y130 I146 L190 A191 C192 L196L66-L194 HydrophobicContact CD1-CD1 4.22Å; V99-L194 HydrophobicContact CG1-CD1 4.33Å; Y130-L194 HydrophobicContact CD2-CD1 4.4Å; Y130-L194 HydrophobicContact CE2-CD1 4.4Å; I146-L194 HydrophobicContact CD1-CD2 4.11Å; I146-L194 HydrophobicContact CD1-CG 4.24Å; L190-L194 WeakPolarHBondContact O-CB 3.39Å; L190-L194 WeakPolarHBondContact O-CG 3.1Å; L190-L194 PolarHBondContact O-N 3.47Å; A191-L194 CarbonylContact O-C 3.58Å; A191-L194 PolarHBondContact O-N 3.2Å; C192-L194 VanDerWaalsContact C-N 3.31Å; C192-L194 PolarHBondContact O-N 3.03Å; L194-L196 HydrophobicContact CB-CD1 3.66Å; L194-L196 HydrophobicContact CB-CG 3.69Å; L194-L196 HydrophobicContact CD1-CD1 3.98Å; L194-L196 HydrophobicContact CG-CD1 4.49Å
195K94.5Very high96.5Very high181 Ų18122.3 Ų22.379%0.78712%0.116SC*.THydrogen-bonded Turntrans54.550.8-176.8-56-178.5179.4-176.40112.3A191 C192A191-K195 PolarHBondContact O-N 3.46Å; C192-K195 PolarHBondContact O-N 2.86Å
196L95.5Very high96.3Very high7 Ų722.5 Ų22.54%0.03712%0.117CC..  trans-109.3126.3179.9-54175.3000109.4P64 L66 V99 A191 L194 F198P64-L196 HydrophobicContact CB-CD2 3.44Å; P64-L196 VanDerWaalsContact CB-CD2 3.44Å; P64-L196 HydrophobicContact CG-CD2 3.7Å; L66-L196 HydrophobicContact CB-CD1 3.65Å; L66-L196 HydrophobicContact CD1-CD1 3.83Å; L66-L196 HydrophobicContact CG-CD1 4.24Å; V99-L196 HydrophobicContact CB-CD1 4.31Å; V99-L196 HydrophobicContact CG2-CD2 4.46Å; A191-L196 HydrophobicContact CB-CB 4.3Å; A191-L196 PolarHBondContact O-N 2.7Å; L194-L196 HydrophobicContact CB-CD1 3.66Å; L194-L196 HydrophobicContact CB-CG 3.69Å; L194-L196 HydrophobicContact CD1-CD1 3.98Å; L194-L196 HydrophobicContact CG-CD1 4.49Å; L196-F198 VanDerWaalsContact C-N 3.34Å
197D94.8Very high96.2Very high87 Ų8725.7 Ų25.747%0.46514%0.137SC..SBendtrans-82-16.5-179-57.2-41.1000112.7T239D197-T239 PolarHBondContact O-N 3.03Å
198F97.5Very high96.1Very high21 Ų2126 Ų269%0.09214%0.138CC..EExtended strand (participates in β ladder)trans-130.8137.7-173.2-57.1-75.1000112.6L58 F59 V65 L66 L196 L200 T239 L241L58-F198 HydrophobicContact CB-CE1 4.12Å; L58-F198 HydrophobicContact CB-CZ 4.07Å; L58-F198 HydrophobicContact CD1-CD1 4.41Å; L58-F198 HydrophobicContact CD1-CE1 3.92Å; L58-F198 HydrophobicContact CD2-CE1 4.16Å; L58-F198 HydrophobicContact CD2-CZ 4.45Å; L58-F198 HydrophobicContact CG-CE1 4.28Å; F59-F198 AromaticContact CE1-CD2 3.92Å; F59-F198 HydrophobicContact CE1-CD2 3.92Å; F59-F198 HydrophobicContact CE1-CE2 4.24Å; F59-F198 HydrophobicContact CE1-CG 4.25Å; F59-F198 HydrophobicContact CZ-CG 4.42Å; V65-F198 HydrophobicContact CB-CB 4.33Å; V65-F198 HydrophobicContact CG1-CB 3.96Å; V65-F198 HydrophobicContact CG1-CD2 4.29Å; V65-F198 HydrophobicContact CG1-CG 4.5Å; L66-F198 PolarHBondContact N-O 3.16Å; L196-F198 VanDerWaalsContact C-N 3.34Å; F198-L200 HydrophobicContact CB-CD1 4.25Å; F198-T239 VanDerWaalsContact CA-O 3.29Å; F198-T239 WeakPolarHBondContact CA-O 3.37Å; F198-T239 HydrophobicContact CD1-CG2 4.2Å; F198-T239 HydrophobicContact CE1-CG2 4.3Å; F198-L241 HydrophobicContact CB-CD1 4.35Å; F198-L241 HydrophobicContact CD1-CD1 3.91Å; F198-L241 HydrophobicContact CD1-CG 4.35Å; F198-L241 HydrophobicContact CG-CD1 4.36Å
199V98.3Very high96Very high0 Ų026 Ų260%014%0.138CC..EExtended strand (participates in β ladder)trans-120.1123.9169.7-177.50000108.7L66 L187 A191 L201 V238 T239 F240 L241L66-V199 HydrophobicContact CB-CG1 4.5Å; L66-V199 HydrophobicContact CB-CG2 4.16Å; L66-V199 HydrophobicContact CD2-CG2 4.21Å; L66-V199 CarbonylContact O-C 3.51Å; L66-V199 WeakPolarHBondContact O-CA 3.46Å; L187-V199 HydrophobicContact CB-CG1 4.23Å; L187-V199 HydrophobicContact CD1-CG1 4.25Å; A191-V199 HydrophobicContact CB-CG2 3.7Å; V199-L201 HydrophobicContact CG1-CD2 4.16Å; V199-V238 HydrophobicContact CG2-CG1 3.65Å; V199-T239 PolarHBondContact N-O 3.45Å; V199-F240 HydrophobicContact CB-CD1 3.9Å; V199-F240 HydrophobicContact CB-CD2 4.43Å; V199-F240 HydrophobicContact CB-CE1 3.97Å; V199-F240 HydrophobicContact CB-CE2 4.47Å; V199-F240 HydrophobicContact CB-CG 4.15Å; V199-F240 HydrophobicContact CB-CZ 4.26Å; V199-F240 HydrophobicContact CG1-CD1 3.95Å; V199-F240 HydrophobicContact CG1-CE1 3.82Å; V199-F240 HydrophobicContact CG1-CZ 4.43Å; V199-F240 HydrophobicContact CG2-CE1 4.29Å; V199-F240 HydrophobicContact CG2-CE2 4.24Å; V199-F240 HydrophobicContact CG2-CZ 4.11Å; V199-F240 CarbonylContact O-C 3.57Å; V199-F240 WeakPolarHBondContact O-CA 3.41Å; V199-L241 PolarHBondContact O-N 3.27Å
200L98Very high95.9Very high0 Ų026.1 Ų26.10%014%0.139CC..EExtended strand (participates in β ladder)trans-100.4125.5177.3-77.860000109.3M53 V65 L66 V67 E68 L78 V82 F198 L241 P243M53-L200 HydrophobicContact CE-CD2 3.98Å; M53-L200 HydrophobicContact CE-CG 4.43Å; V65-L200 HydrophobicContact CB-CD1 3.85Å; V65-L200 HydrophobicContact CG1-CD1 4.24Å; V65-L200 HydrophobicContact CG2-CD1 4.29Å; V65-L200 HydrophobicContact CG2-CD2 4.49Å; L66-L200 PolarHBondContact O-N 3.48Å; V67-L200 HydrophobicContact CG2-CB 4.25Å; V67-L200 HydrophobicContact CG2-CD2 4.31Å; E68-L200 PolarHBondContact N-O 2.92Å; L78-L200 HydrophobicContact CD2-CB 4.28Å; V82-L200 HydrophobicContact CG2-CD2 3.71Å; F198-L200 HydrophobicContact CB-CD1 4.25Å; L200-L241 WeakPolarHBondContact CA-O 3.43Å; L200-L241 HydrophobicContact CD1-CB 4.29Å; L200-L241 HydrophobicContact CD1-CD1 3.96Å; L200-L241 HydrophobicContact CG-CB 4.24Å; L200-P243 HydrophobicContact CB-CG 4.25Å; L200-P243 HydrophobicContact CD2-CG 3.95Å; L200-P243 HydrophobicContact CG-CG 3.87Å
201L97.6Very high95.9Very high2 Ų227.6 Ų27.61%0.0115%0.152CC..  trans-103.4150.2177.8-57179.4000111.3M184 L187 V199 S203 F240 L241 R242 P243M184-L201 HydrophobicContact CE-CD2 4.09Å; M184-L201 HydrophobicContact SD-CD1 3.89Å; M184-L201 HydrophobicContact SD-CD2 4.21Å; L187-L201 HydrophobicContact CD1-CD2 3.71Å; V199-L201 HydrophobicContact CG1-CD2 4.16Å; L201-S203 VanDerWaalsContact C-N 3.27Å; L201-S203 PolarHBondContact O-N 3.11Å; L201-F240 HydrophobicContact CD1-CD1 4Å; L201-F240 HydrophobicContact CD2-CD1 4.19Å; L201-F240 HydrophobicContact CD2-CE1 4.47Å; L201-F240 HydrophobicContact CG-CD1 4.16Å; L201-L241 PolarHBondContact N-O 3.33Å; L201-R242 HydrophobicContact CB-CG 4.38Å; L201-R242 HydrophobicContact CD1-CG 4.43Å; L201-P243 WeakPolarHBondContact O-CD 3.4Å
202D96.7Very high95.8Very high21 Ų2128 Ų2811%0.11215%0.154CC..  trans-86.214.1-179.668.3-16.6000114S70 S72 A74 S75 L78 T204S70-D202 PolarHBondContact OG-OD2 3.21Å; S72-D202 PolarHBondContact OG-OD2 3.2Å; A74-D202 HydrophobicContact CB-CB 4.02Å; A74-D202 WeakPolarHBondContact CB-O 3.17Å; S75-D202 WeakPolarHBondContact CB-OD2 3.39Å; S75-D202 PolarHBondContact N-OD2 3.24Å; L78-D202 HydrophobicContact CD2-CB 4.11Å; D202-T204 PolarHBondContact O-N 3.02Å; D202-T204 VanDerWaalsContact O-N 3.11Å
203S96Very high95.8Very high14 Ų1428.8 Ų28.810%0.09816%0.156CC..  trans-67.3112.4-175.5-48.40000112.2L201 L244 R245L201-S203 VanDerWaalsContact C-N 3.27Å; L201-S203 PolarHBondContact O-N 3.11Å; S203-L244 CarbonylContact O-C 3.57Å; S203-R245 PolarHBondContact O-N 3.22Å
204T96.2Very high95.8Very high0 Ų027 Ų270%014%0.144CC..  trans-77.7166.1175.164.30000111.5A74 D202 T206 V207 L208 L244 F247 N249 V252A74-T204 HydrophobicContact CB-CG2 3.65Å; D202-T204 PolarHBondContact O-N 3.02Å; D202-T204 VanDerWaalsContact O-N 3.11Å; T204-T206 PolarHBondContact O-N 3.03Å; T204-V207 PolarHBondContact O-N 3.36Å; T204-V207 WeakPolarHBondContact OG1-CG2 3.22Å; T204-V207 PolarHBondContact OG1-N 3.43Å; T204-V207 VanDerWaalsContact OG1-N 3.14Å; T204-L208 WeakPolarHBondContact O-CB 3.4Å; T204-L208 VanDerWaalsContact O-CG 3.24Å; T204-L208 WeakPolarHBondContact O-CG 3.49Å; T204-L208 PolarHBondContact O-N 2.69Å; T204-L244 WeakPolarHBondContact CA-O 3.42Å; T204-F247 CarbonylContact C-O 3.52Å; T204-F247 WeakPolarHBondContact CA-O 3.49Å; T204-F247 WeakPolarHBondContact CB-O 3.41Å; T204-N249 WeakPolarHBondContact CB-OD1 3.38Å; T204-N249 WeakPolarHBondContact CG2-OD1 3.37Å; T204-N249 PolarHBondContact OG1-OD1 3.14Å; T204-V252 HydrophobicContact CG2-CG1 4.13Å; T204-V252 HydrophobicContact CG2-CG2 4.14Å
205S94.7Very high95.9Very high4 Ų424.8 Ų24.83%0.02813%0.132CC..Hα-helixtrans-57.2-38.2172.568.10000112.1S209 R245 F247 V301 I305S205-S209 WeakPolarHBondContact O-CB 3.12Å; S205-S209 PolarHBondContact O-N 3.36Å; S205-S209 PolarHBondContact O-OG 2.92Å; S205-R245 WeakPolarHBondContact CA-O 3.3Å; S205-R245 WeakPolarHBondContact CB-O 3.45Å; S205-F247 PolarHBondContact N-O 3.07Å; S205-F247 PolarHBondContact OG-O 3.16Å; S205-F247 VanDerWaalsContact OG-O 3.04Å; S205-V301 VanDerWaalsContact C-CG1 3.47Å; S205-V301 VanDerWaalsContact CB-CG1 3.45Å; S205-V301 WeakPolarHBondContact O-CG1 3.13Å; S205-V301 VanDerWaalsContact OG-CG1 3.23Å; S205-V301 WeakPolarHBondContact OG-CG1 3.49Å; S205-I305 WeakPolarHBondContact O-CD1 3.4Å
206T94.3Very high95.9Very high5 Ų520 Ų203%0.03112%0.118CC..Hα-helixtrans-63.4-50.3178-54.50000110.2T204 L208 S209 A210 N249 V290 E291 Q294T204-T206 PolarHBondContact O-N 3.03Å; T206-L208 PolarHBondContact O-N 3.44Å; T206-S209 PolarHBondContact O-N 3.01Å; T206-A210 PolarHBondContact O-N 3.32Å; T206-A210 VanDerWaalsContact O-N 3.15Å; T206-N249 HydrophobicContact CG2-CB 4.46Å; T206-N249 PolarHBondContact OG1-N 3.43Å; T206-V290 HydrophobicContact CG2-CG1 4.08Å; T206-E291 HydrophobicContact CG2-CG 4.23Å; T206-Q294 PolarHBondContact OG1-OE1 3.19Å
207V94.9Very high95.9Very high68 Ų6822.8 Ų22.841%0.41214%0.143SC..Hα-helixtrans-62.8-42.5178171.70000111.6T204 S209 A210 A211T204-V207 PolarHBondContact O-N 3.36Å; T204-V207 WeakPolarHBondContact OG1-CG2 3.22Å; T204-V207 PolarHBondContact OG1-N 3.43Å; T204-V207 VanDerWaalsContact OG1-N 3.14Å; V207-S209 VanDerWaalsContact C-N 3.34Å; V207-S209 PolarHBondContact O-N 2.75Å; V207-A210 PolarHBondContact O-N 3Å; V207-A211 WeakPolarHBondContact O-CB 3.47Å; V207-A211 PolarHBondContact O-N 3.03Å
208L96.4Very high95.8Very high6 Ų620.5 Ų20.53%0.03113%0.129CC..Hα-helixtrans-65.9-36.5178.8-69.1175.1000112.4T204 T206 A211 V212 R245 I305T204-L208 WeakPolarHBondContact O-CB 3.4Å; T204-L208 VanDerWaalsContact O-CG 3.24Å; T204-L208 WeakPolarHBondContact O-CG 3.49Å; T204-L208 PolarHBondContact O-N 2.69Å; T206-L208 PolarHBondContact O-N 3.44Å; L208-A211 WeakPolarHBondContact O-CB 3.48Å; L208-A211 PolarHBondContact O-N 2.88Å; L208-V212 WeakPolarHBondContact O-CG2 3.38Å; L208-V212 PolarHBondContact O-N 3.48Å; L208-R245 HydrophobicContact CD1-CB 4Å; L208-R245 HydrophobicContact CD1-CG 3.77Å; L208-I305 HydrophobicContact CB-CD1 4.26Å
209S95.5Very high95.5Very high0 Ų021 Ų210%014%0.141CC..Hα-helixtrans-66.1-41.9176.5-60.80000111.8S205 T206 V207 A211 V212 L213 V301S205-S209 WeakPolarHBondContact O-CB 3.12Å; S205-S209 PolarHBondContact O-N 3.36Å; S205-S209 PolarHBondContact O-OG 2.92Å; T206-S209 PolarHBondContact O-N 3.01Å; V207-S209 VanDerWaalsContact C-N 3.34Å; V207-S209 PolarHBondContact O-N 2.75Å; S209-A211 VanDerWaalsContact C-N 3.3Å; S209-A211 PolarHBondContact O-N 2.97Å; S209-V212 WeakPolarHBondContact O-CB 3.27Å; S209-V212 PolarHBondContact O-N 2.96Å; S209-L213 PolarHBondContact O-N 3.05Å; S209-V301 WeakPolarHBondContact OG-CG1 3.3Å; S209-V301 PolarHBondContact OG-O 3.31Å
210A95Very high95.2Very high4 Ų421.1 Ų21.13%0.03314%0.141CC..Hα-helixtrans-62.4-40.4173.200000111.3T206 V207 V212 L213 S214 S286 V290T206-A210 PolarHBondContact O-N 3.32Å; T206-A210 VanDerWaalsContact O-N 3.15Å; V207-A210 PolarHBondContact O-N 3Å; A210-V212 VanDerWaalsContact C-N 3.31Å; A210-V212 PolarHBondContact O-N 3.34Å; A210-L213 PolarHBondContact O-N 2.78Å; A210-S214 PolarHBondContact O-N 3.48Å; A210-S214 PolarHBondContact O-OG 3.01Å; A210-S286 WeakPolarHBondContact O-CB 3.47Å; A210-V290 HydrophobicContact CB-CB 4.4Å; A210-V290 HydrophobicContact CB-CG2 4.23Å
211A95.4Very high94.7Very high32 Ų3222.5 Ų22.526%0.26416%0.156SC..Hα-helixtrans-63.5-32.9176.200000113V207 L208 S209 S214 S215V207-A211 WeakPolarHBondContact O-CB 3.47Å; V207-A211 PolarHBondContact O-N 3.03Å; L208-A211 WeakPolarHBondContact O-CB 3.48Å; L208-A211 PolarHBondContact O-N 2.88Å; S209-A211 VanDerWaalsContact C-N 3.3Å; S209-A211 PolarHBondContact O-N 2.97Å; A211-S214 WeakPolarHBondContact CA-OG 3.25Å; A211-S214 PolarHBondContact O-OG 3.45Å; A211-S215 WeakPolarHBondContact O-CB 3.4Å; A211-S215 PolarHBondContact O-N 3.35Å; A211-S215 PolarHBondContact O-OG 3.06Å
212V95.9Very high94.1Very high9 Ų925.4 Ų25.46%0.05517%0.174CC..Hα-helixtrans-60.7-51.9172.3172.20000110.3L208 S209 A210 S214 S215 V216 I224 V228 A308L208-V212 WeakPolarHBondContact O-CG2 3.38Å; L208-V212 PolarHBondContact O-N 3.48Å; S209-V212 WeakPolarHBondContact O-CB 3.27Å; S209-V212 PolarHBondContact O-N 2.96Å; A210-V212 VanDerWaalsContact C-N 3.31Å; A210-V212 PolarHBondContact O-N 3.34Å; V212-S214 PolarHBondContact O-N 3.01Å; V212-S215 PolarHBondContact O-N 3.37Å; V212-V216 HydrophobicContact CG1-CG2 4.47Å; V212-V216 WeakPolarHBondContact O-CG2 3.21Å; V212-V216 PolarHBondContact O-N 3.01Å; V212-I224 HydrophobicContact CG1-CG2 4.41Å; V212-I224 HydrophobicContact CG2-CG2 4.13Å; V212-V228 HydrophobicContact CG2-CG1 3.43Å; V212-V228 VanDerWaalsContact CG2-CG1 3.43Å; V212-A308 HydrophobicContact CB-CB 4.46Å; V212-A308 HydrophobicContact CG1-CB 3.99Å; V212-A308 HydrophobicContact CG2-CB 3.54Å
213L95.3Very high93.7Very high49 Ų4924.6 Ų24.626%0.25717%0.17SC..Hα-helixtrans-62.3-46.4-177-62.8-179.8000111.4S209 A210 S215 V216 A217 F289 V290 L304S209-L213 PolarHBondContact O-N 3.05Å; A210-L213 PolarHBondContact O-N 2.78Å; L213-S215 VanDerWaalsContact C-N 3.31Å; L213-S215 PolarHBondContact O-N 3.03Å; L213-V216 PolarHBondContact O-N 3.26Å; L213-A217 WeakPolarHBondContact O-CB 3.38Å; L213-A217 PolarHBondContact O-N 3.3Å; L213-F289 HydrophobicContact CD1-CD1 3.6Å; L213-F289 HydrophobicContact CD1-CE1 3.95Å; L213-V290 HydrophobicContact CD1-CG2 3.67Å; L213-L304 HydrophobicContact CD2-CD2 4.46Å
214S95.7Very high93.6Very high7 Ų724 Ų245%0.04917%0.166CC..Hα-helixtrans-66-34.617868.80000112.1A210 A211 V212 Q218 S286A210-S214 PolarHBondContact O-N 3.48Å; A210-S214 PolarHBondContact O-OG 3.01Å; A211-S214 WeakPolarHBondContact CA-OG 3.25Å; A211-S214 PolarHBondContact O-OG 3.45Å; V212-S214 PolarHBondContact O-N 3.01Å; S214-Q218 WeakPolarHBondContact O-CB 3.4Å; S214-Q218 WeakPolarHBondContact O-CG 3.35Å; S214-Q218 PolarHBondContact O-N 3.29Å; S214-Q218 VanDerWaalsContact O-N 3.11Å; S214-Q218 PolarHBondContact O-NE2 3.4Å; S214-S286 PolarHBondContact N-OG 3.35Å
215S95.5Very high93.4Very high3 Ų324.6 Ų24.62%0.02117%0.171CC..Hα-helixtrans-69.4-41.2176.6-66.40000112.1A211 V212 L213 Q218 G219 R220A211-S215 WeakPolarHBondContact O-CB 3.4Å; A211-S215 PolarHBondContact O-N 3.35Å; A211-S215 PolarHBondContact O-OG 3.06Å; V212-S215 PolarHBondContact O-N 3.37Å; L213-S215 VanDerWaalsContact C-N 3.31Å; L213-S215 PolarHBondContact O-N 3.03Å; S215-Q218 CarbonylContact O-C 3.48Å; S215-Q218 PolarHBondContact O-N 3.5Å; S215-G219 PolarHBondContact O-N 2.77Å; S215-R220 WeakPolarHBondContact O-CB 3.25Å; S215-R220 PolarHBondContact O-N 2.85Å
216V94.6Very high93.3Very high80 Ų8026.1 Ų26.149%0.48518%0.179SC..Hα-helixtrans-60.7-48.4174.4171.40000110.2V212 L213 Q218 G219 I224 F311V212-V216 HydrophobicContact CG1-CG2 4.47Å; V212-V216 WeakPolarHBondContact O-CG2 3.21Å; V212-V216 PolarHBondContact O-N 3.01Å; L213-V216 PolarHBondContact O-N 3.26Å; V216-Q218 PolarHBondContact O-N 2.85Å; V216-G219 PolarHBondContact O-N 2.87Å; V216-I224 HydrophobicContact CG2-CD1 3.54Å; V216-F311 HydrophobicContact CG2-CE2 4.43Å
217A94.8Very high93.2Very high67 Ų6726.4 Ų26.455%0.55418%0.179SC*.Hα-helixtrans-60.4-28.3178.600000113.1L213 I282L213-A217 WeakPolarHBondContact O-CB 3.38Å; L213-A217 PolarHBondContact O-N 3.3Å; A217-I282 HydrophobicContact CB-CD1 4.15Å; A217-I282 HydrophobicContact CB-CG1 3.71Å
218Q94.5Very high93.1Very high38 Ų3823.2 Ų23.218%0.17816%0.16CC..THydrogen-bonded Turntrans-91.76.2177.7-68.1177.989.400113.9T173 E177 S214 S215 V216 R220 I282T173-Q218 HydrophobicContact CG2-CG 4.32Å; E177-Q218 PolarHBondContact OE2-NE2 3.19Å; E177-Q218 PolarHBondContact OE2-OE1 2.81Å; S214-Q218 WeakPolarHBondContact O-CB 3.4Å; S214-Q218 WeakPolarHBondContact O-CG 3.35Å; S214-Q218 PolarHBondContact O-N 3.29Å; S214-Q218 VanDerWaalsContact O-N 3.11Å; S214-Q218 PolarHBondContact O-NE2 3.4Å; S215-Q218 CarbonylContact O-C 3.48Å; S215-Q218 PolarHBondContact O-N 3.5Å; V216-Q218 PolarHBondContact O-N 2.85Å; Q218-R220 VanDerWaalsContact C-N 3.34Å; Q218-R220 HydrophobicContact CB-CG 4.24Å; Q218-R220 PolarHBondContact O-N 2.59Å; Q218-I282 HydrophobicContact CG-CG2 4.12Å
219G91.4Very high93Very high33 Ų3324 Ų2434%0.3417%0.168SC..THydrogen-bonded Turntrans70.127-179.800000114.3S215 V216 G221 Y349S215-G219 PolarHBondContact O-N 2.77Å; V216-G219 PolarHBondContact O-N 2.87Å; G219-G221 VanDerWaalsContact C-N 3.33Å; G219-G221 PolarHBondContact O-N 2.8Å; G219-Y349 WeakPolarHBondContact O-CD1 3.26Å
220R91.2Very high92.9Very high1 Ų125 Ų250%0.00417%0.173CC..  trans-96.230.4-178.7-65.2173164.3-81.7-11.1113.3E177 S215 Q218 Q223 I224 G350E177-R220 IonicContact OE1-CZ 3.27Å; E177-R220 VanDerWaalsContact OE1-CZ 3.29Å; E177-R220 IonicContact OE1-NE 3.44Å; E177-R220 PolarHBondContact OE1-NE 3.3Å; E177-R220 VanDerWaalsContact OE1-NE 3.15Å; E177-R220 IonicContact OE1-NH1 2.66Å; E177-R220 IonicContact OE1-NH2 3.01Å; S215-R220 WeakPolarHBondContact O-CB 3.25Å; S215-R220 PolarHBondContact O-N 2.85Å; Q218-R220 VanDerWaalsContact C-N 3.34Å; Q218-R220 HydrophobicContact CB-CG 4.24Å; Q218-R220 PolarHBondContact O-N 2.59Å; R220-Q223 PolarHBondContact O-N 2.82Å; R220-Q223 PolarHBondContact O-OE1 3.26Å; R220-I224 WeakPolarHBondContact O-CG1 3.36Å; R220-G350 PolarHBondContact NH2-O 2.94Å
221G88.1Confident92.8Very high30 Ų3025.8 Ų25.831%0.30918%0.176SC..G310 helixtrans-47.4-52-177.200000114.5G219 Q223 I224G219-G221 VanDerWaalsContact C-N 3.33Å; G219-G221 PolarHBondContact O-N 2.8Å; G221-Q223 PolarHBondContact O-N 2.96Å; G221-I224 PolarHBondContact O-N 2.88Å
222P84.4Confident92.8Very high62 Ų6224.4 Ų24.440%0.40316%0.164SC..G310 helixtrans-63.7-24.3-175.4-2535.2000114.9
223Q88.6Confident92.6Very high5 Ų531.7 Ų31.72%0.02319%0.191CC..G310 helixtrans-91.5-17.4-175.1-58.184.414.100113.3R220 G221 A225 D226 E227 S330 C348R220-Q223 PolarHBondContact O-N 2.82Å; R220-Q223 PolarHBondContact O-OE1 3.26Å; G221-Q223 PolarHBondContact O-N 2.96Å; Q223-A225 VanDerWaalsContact C-N 3.28Å; Q223-A225 PolarHBondContact O-N 2.9Å; Q223-D226 PolarHBondContact O-N 2.75Å; Q223-E227 WeakPolarHBondContact CB-OE1 3Å; Q223-E227 WeakPolarHBondContact O-CG 3.42Å; Q223-E227 PolarHBondContact O-N 3.43Å; Q223-S330 VanDerWaalsContact CG-CB 3.46Å; Q223-S330 WeakPolarHBondContact CG-OG 3.45Å; Q223-C348 PolarHBondContact NE2-SG 3.1Å
224I93Very high92.5Very high1 Ų130 Ų301%0.00518%0.181CC..Hα-helixtrans-58-41.3-172.2-75.6167.3000111.6V212 V216 R220 G221 D226 E227 V228 A308 F311V212-I224 HydrophobicContact CG1-CG2 4.41Å; V212-I224 HydrophobicContact CG2-CG2 4.13Å; V216-I224 HydrophobicContact CG2-CD1 3.54Å; R220-I224 WeakPolarHBondContact O-CG1 3.36Å; G221-I224 PolarHBondContact O-N 2.88Å; I224-D226 VanDerWaalsContact C-N 3.32Å; I224-D226 PolarHBondContact O-N 2.97Å; I224-E227 PolarHBondContact O-N 3.23Å; I224-E227 VanDerWaalsContact O-N 3.14Å; I224-V228 HydrophobicContact CG2-CG1 4.36Å; I224-V228 WeakPolarHBondContact O-CG2 2.93Å; I224-V228 PolarHBondContact O-N 2.99Å; I224-A308 HydrophobicContact CG2-CB 3.81Å; I224-F311 HydrophobicContact CB-CD2 3.93Å; I224-F311 HydrophobicContact CB-CE2 4.4Å; I224-F311 HydrophobicContact CD1-CD2 4.15Å; I224-F311 HydrophobicContact CD1-CE2 3.83Å; I224-F311 HydrophobicContact CG2-CD2 3.79Å; I224-F311 HydrophobicContact CG2-CE2 4.1Å
225A92.3Very high92.3Very high13 Ų1330.1 Ų30.111%0.10718%0.181CC..Hα-helixtrans-56.1-46.6-178.700000111.6Q223 A229 F311Q223-A225 VanDerWaalsContact C-N 3.28Å; Q223-A225 PolarHBondContact O-N 2.9Å; A225-A229 VanDerWaalsContact O-CB 3.28Å; A225-A229 WeakPolarHBondContact O-CB 3.43Å; A225-A229 PolarHBondContact O-N 2.84Å; A225-A229 VanDerWaalsContact O-N 3.12Å; A225-F311 HydrophobicContact CB-CB 4.38Å; A225-F311 WeakPolarHBondContact CB-O 3.28Å
226D92Very high92.1Very high36 Ų3632.4 Ų32.419%0.19319%0.194CC..Hα-helixtrans-72.2-35.3177.6-63.1-43.8000112.2Q223 I224 V228 A229 R234 R242Q223-D226 PolarHBondContact O-N 2.75Å; I224-D226 VanDerWaalsContact C-N 3.32Å; I224-D226 PolarHBondContact O-N 2.97Å; D226-V228 VanDerWaalsContact C-N 3.34Å; D226-V228 PolarHBondContact O-N 3.32Å; D226-A229 PolarHBondContact O-N 3.44Å; D226-R234 HydrophobicContact CB-CG 4.01Å; D226-R234 WeakPolarHBondContact OD2-CD 3.26Å; D226-R242 PolarHBondContact O-NH1 3.06Å
227E92Very high91.9Very high10 Ų1030.1 Ų30.15%0.04719%0.187CC..Hα-helixtrans-68.7-31.5-179.2-76.2175.5-161.700113.4R181 Q223 I224 R234 R242R181-E227 IonicContact CZ-OE1 3.33Å; R181-E227 VanDerWaalsContact CZ-OE1 3.27Å; R181-E227 IonicContact CZ-OE2 3.15Å; R181-E227 IonicContact NH1-OE1 2.91Å; R181-E227 PolarHBondContact NH1-OE1 3.31Å; R181-E227 IonicContact NH1-OE2 2.69Å; R181-E227 IonicContact NH2-OE1 3.71Å; R181-E227 PolarHBondContact NH2-OE1 3.14Å; R181-E227 IonicContact NH2-OE2 3.01Å; R181-E227 PolarHBondContact NH2-OE2 2.77Å; Q223-E227 WeakPolarHBondContact CB-OE1 3Å; Q223-E227 WeakPolarHBondContact O-CG 3.42Å; Q223-E227 PolarHBondContact O-N 3.43Å; I224-E227 PolarHBondContact O-N 3.23Å; I224-E227 VanDerWaalsContact O-N 3.14Å; E227-R234 VanDerWaalsContact CG-NH2 3.25Å; E227-R234 IonicContact OE1-CZ 3.89Å; E227-R234 IonicContact OE1-NH1 3.9Å; E227-R234 PolarHBondContact OE1-NH1 3.15Å; E227-R234 IonicContact OE1-NH2 3.91Å; E227-R242 PolarHBondContact O-NE 3.17Å; E227-R242 PolarHBondContact O-NH1 3.48Å; E227-R242 PolarHBondContact O-NH2 3Å
228V93.6Very high91.9Very high1 Ų127.1 Ų27.11%0.00616%0.162CC..Hα-helixtrans-96.5-9.3175.5-54.30000113.4V212 I224 D226 R245 A308V212-V228 HydrophobicContact CG2-CG1 3.43Å; V212-V228 VanDerWaalsContact CG2-CG1 3.43Å; I224-V228 HydrophobicContact CG2-CG1 4.36Å; I224-V228 WeakPolarHBondContact O-CG2 2.93Å; I224-V228 PolarHBondContact O-N 2.99Å; D226-V228 VanDerWaalsContact C-N 3.34Å; D226-V228 PolarHBondContact O-N 3.32Å; V228-R245 VanDerWaalsContact O-CD 3.26Å; V228-R245 WeakPolarHBondContact O-CD 3.33Å; V228-R245 PolarHBondContact O-NE 3.28Å; V228-A308 HydrophobicContact CG1-CB 4.49Å; V228-A308 HydrophobicContact CG2-CB 4.07Å
229A93.3Very high92Very high24 Ų2426.5 Ų26.520%0.19816%0.161CC..SBendtrans-63.9152.1-178.400000112.2A225 D226 I231 R242A225-A229 VanDerWaalsContact O-CB 3.28Å; A225-A229 WeakPolarHBondContact O-CB 3.43Å; A225-A229 PolarHBondContact O-N 2.84Å; A225-A229 VanDerWaalsContact O-N 3.12Å; D226-A229 PolarHBondContact O-N 3.44Å; A229-I231 WeakPolarHBondContact CB-O 3.38Å; A229-I231 PolarHBondContact O-N 3.4Å; A229-R242 WeakPolarHBondContact O-CD 3.34Å; A229-R242 PolarHBondContact O-NH1 3.13Å
230M93.9Very high92.3Very high20 Ų2025 Ų2510%0.09915%0.145CC..SBendtrans-61.1-38.1169.5176.765.9-168.500110.9A52 M53 E56 L241 R242A52-M230 HydrophobicContact CB-CE 4.32Å; A52-M230 HydrophobicContact CB-SD 4.46Å; M53-M230 HydrophobicContact CG-CE 4.26Å; M53-M230 HydrophobicContact SD-CE 3.32Å; M53-M230 WeakPolarHBondContact SD-CE 3.28Å; E56-M230 HydrophobicContact CG-CG 4.07Å; M230-L241 WeakPolarHBondContact O-CA 3.24Å; M230-R242 PolarHBondContact O-N 3.27Å
231I94.1Very high92.6Very high21 Ų2125 Ų2511%0.10815%0.145CC..EExtended strand (participates in β ladder)trans-119.8126.2178.7-56.1-174000108.6E56 L58 A229 R233 T239 L241E56-I231 HydrophobicContact CB-CD1 3.88Å; E56-I231 HydrophobicContact CG-CD1 3.71Å; E56-I231 HydrophobicContact CG-CG1 3.98Å; E56-I231 WeakPolarHBondContact OE2-CD1 3.46Å; L58-I231 HydrophobicContact CD1-CD1 4.1Å; A229-I231 WeakPolarHBondContact CB-O 3.38Å; A229-I231 PolarHBondContact O-N 3.4Å; I231-R233 HydrophobicContact CG2-CG 3.71Å; I231-T239 HydrophobicContact CG2-CG2 3.44Å; I231-T239 VanDerWaalsContact CG2-CG2 3.44Å; I231-L241 HydrophobicContact CB-CD2 4.37Å; I231-L241 HydrophobicContact CG1-CD2 3.87Å; I231-L241 HydrophobicContact CG2-CD2 4.32Å
232D94.3Very high93Very high2 Ų223.6 Ų23.61%0.01113%0.13CC..EExtended strand (participates in β ladder)trans-118.9113.6173.6177.4-6.5000108.8R234 F240 R242D232-R234 VanDerWaalsContact OD1-CB 3.32Å; D232-R234 WeakPolarHBondContact OD1-CB 3.49Å; D232-R234 VanDerWaalsContact OD1-CG 3.28Å; D232-R234 WeakPolarHBondContact OD1-CG 3.38Å; D232-R234 IonicContact OD1-CZ 3.42Å; D232-R234 PolarHBondContact OD1-N 2.81Å; D232-R234 VanDerWaalsContact OD1-N 3.15Å; D232-R234 IonicContact OD1-NE 3.27Å; D232-R234 PolarHBondContact OD1-NE 2.77Å; D232-R234 IonicContact OD1-NH2 2.72Å; D232-R234 IonicContact OD2-CZ 3.11Å; D232-R234 IonicContact OD2-NE 3.02Å; D232-R234 PolarHBondContact OD2-NE 2.63Å; D232-R234 IonicContact OD2-NH2 3.92Å; D232-R234 PolarHBondContact OD2-NH2 3.37Å; D232-F240 HydrophobicContact CB-CB 3.98Å; D232-F240 PolarHBondContact N-O 2.94Å; D232-F240 PolarHBondContact O-N 3.4Å; D232-R242 IonicContact OD2-CZ 3.29Å; D232-R242 IonicContact OD2-NH1 3.6Å; D232-R242 IonicContact OD2-NH2 3.9Å; D232-R242 PolarHBondContact OD2-NH2 2.71Å
233R93Very high93.6Very high163 Ų16320.6 Ų20.662%0.61511%0.111SC*.  trans-109.418.8-177.2-60.6-170.1179.2107-0.1112.8I231 W235 T239I231-R233 HydrophobicContact CG2-CG 3.71Å; R233-W235 PolarHBondContact O-N 2.73Å; R233-T239 HydrophobicContact CG-CG2 4.2Å
234R91.8Very high94Very high14 Ų1420.4 Ų20.45%0.05311%0.11CC..  trans-62.8-29178.6-70.3-178.1-66.2176.9-0.7112.3D226 E227 D232 S329 S330D226-R234 HydrophobicContact CB-CG 4.01Å; D226-R234 WeakPolarHBondContact OD2-CD 3.26Å; E227-R234 VanDerWaalsContact CG-NH2 3.25Å; E227-R234 IonicContact OE1-CZ 3.89Å; E227-R234 IonicContact OE1-NH1 3.9Å; E227-R234 PolarHBondContact OE1-NH1 3.15Å; E227-R234 IonicContact OE1-NH2 3.91Å; D232-R234 VanDerWaalsContact OD1-CB 3.32Å; D232-R234 WeakPolarHBondContact OD1-CB 3.49Å; D232-R234 VanDerWaalsContact OD1-CG 3.28Å; D232-R234 WeakPolarHBondContact OD1-CG 3.38Å; D232-R234 IonicContact OD1-CZ 3.42Å; D232-R234 PolarHBondContact OD1-N 2.81Å; D232-R234 VanDerWaalsContact OD1-N 3.15Å; D232-R234 IonicContact OD1-NE 3.27Å; D232-R234 PolarHBondContact OD1-NE 2.77Å; D232-R234 IonicContact OD1-NH2 2.72Å; D232-R234 IonicContact OD2-CZ 3.11Å; D232-R234 IonicContact OD2-NE 3.02Å; D232-R234 PolarHBondContact OD2-NE 2.63Å; D232-R234 IonicContact OD2-NH2 3.92Å; D232-R234 PolarHBondContact OD2-NH2 3.37Å; R234-S329 WeakPolarHBondContact CB-O 3.16Å; R234-S329 VanDerWaalsContact O-CB 3.26Å; R234-S329 WeakPolarHBondContact O-CB 3.16Å; R234-S330 WeakPolarHBondContact CD-OG 3.43Å; R234-S330 PolarHBondContact NH1-OG 2.97Å
235W92.8Very high94.1Very high9 Ų922.8 Ų22.83%0.03412%0.119CC..SBendtrans-86.5120.8178.3-61.597.2000110.8M184 A185 Y188 R233 G237 V238 F240 L327 S329 M371M184-W235 HydrophobicContact CB-CZ2 4.37Å; A185-W235 HydrophobicContact CB-CH2 4Å; Y188-W235 HydrophobicContact CD1-CD2 4.46Å; Y188-W235 AromaticContact CD1-CE3 3.49Å; Y188-W235 HydrophobicContact CD1-CE3 3.49Å; Y188-W235 VanDerWaalsContact CD1-CE3 3.49Å; Y188-W235 AromaticContact CD1-CZ3 3.69Å; Y188-W235 HydrophobicContact CD1-CZ3 3.69Å; Y188-W235 HydrophobicContact CD2-CB 3.72Å; Y188-W235 HydrophobicContact CD2-CD2 4.13Å; Y188-W235 AromaticContact CD2-CE3 3.79Å; Y188-W235 HydrophobicContact CD2-CE3 3.79Å; Y188-W235 HydrophobicContact CD2-CG 4.14Å; Y188-W235 HydrophobicContact CE1-CE3 4Å; Y188-W235 HydrophobicContact CE1-CZ3 4.3Å; Y188-W235 HydrophobicContact CE2-CB 4.07Å; Y188-W235 HydrophobicContact CE2-CE3 4.27Å; Y188-W235 HydrophobicContact CG-CB 4.4Å; Y188-W235 AromaticContact CG-CD2 3.91Å; Y188-W235 HydrophobicContact CG-CD2 3.91Å; Y188-W235 AromaticContact CG-CE3 3.36Å; Y188-W235 HydrophobicContact CG-CE3 3.36Å; Y188-W235 HydrophobicContact CG-CG 4.36Å; Y188-W235 AromaticContact CG-CZ3 3.93Å; Y188-W235 HydrophobicContact CG-CZ3 3.93Å; R233-W235 PolarHBondContact O-N 2.73Å; W235-G237 PolarHBondContact O-N 2.85Å; W235-V238 PolarHBondContact O-N 3.15Å; W235-F240 HydrophobicContact CB-CD2 4.29Å; W235-F240 HydrophobicContact CB-CE2 3.97Å; W235-F240 AromaticContact CD1-CD2 3.43Å; W235-F240 VanDerWaalsContact CD1-CD2 3.43Å; W235-F240 AromaticContact CD1-CE2 3.26Å; W235-F240 AromaticContact CD1-CZ 3.97Å; W235-F240 HydrophobicContact CD2-CE2 4.36Å; W235-F240 HydrophobicContact CG-CD2 4.06Å; W235-F240 AromaticContact CG-CE2 3.6Å; W235-F240 HydrophobicContact CG-CE2 3.6Å; W235-F240 HydrophobicContact CG-CZ 4.41Å; W235-F240 AromaticContact NE1-CE2 3.84Å; W235-L327 WeakPolarHBondContact CH2-O 3.49Å; W235-S329 WeakPolarHBondContact CH2-OG 3.47Å; W235-S329 WeakPolarHBondContact CZ3-OG 3.34Å; W235-M371 HydrophobicContact CH2-CE 3.72Å; W235-M371 HydrophobicContact CZ3-CE 3.35Å
236V90.1Very high94.1Very high51 Ų5125.1 Ų25.131%0.30913%0.127SC..THydrogen-bonded Turntrans-63124.9-178.51780000110Y188 V238 K379Y188-V236 WeakPolarHBondContact CE2-O 3.47Å; Y188-V236 PolarHBondContact OH-O 3.43Å; V236-V238 PolarHBondContact O-N 3.46Å; V236-K379 HydrophobicContact CG1-CG 4.23Å
237G91.1Very high94.3Very high32 Ų3223.4 Ų23.433%0.3312%0.118SC..THydrogen-bonded Turntrans77.9-8.1177.900000115.8W235 H382W235-G237 PolarHBondContact O-N 2.85Å; G237-H382 VanDerWaalsContact CA-NE2 3.25Å; G237-H382 WeakPolarHBondContact CA-NE2 3.24Å
238V95.5Very high94.3Very high4 Ų423.2 Ų23.22%0.02412%0.118CC..  trans-130.9121.2-179.6-179.10000110.1Y188 A191 V199 W235 V236 F240Y188-V238 HydrophobicContact CD2-CB 3.88Å; Y188-V238 HydrophobicContact CD2-CG2 3.8Å; Y188-V238 HydrophobicContact CE2-CB 4.16Å; Y188-V238 HydrophobicContact CE2-CG2 3.83Å; A191-V238 HydrophobicContact CB-CB 4.48Å; A191-V238 HydrophobicContact CB-CG1 3.66Å; A191-V238 HydrophobicContact CB-CG2 3.94Å; V199-V238 HydrophobicContact CG2-CG1 3.65Å; W235-V238 PolarHBondContact O-N 3.15Å; V236-V238 PolarHBondContact O-N 3.46Å; V238-F240 HydrophobicContact CG1-CD2 4.24Å; V238-F240 HydrophobicContact CG1-CE2 3.93Å
239T96.2Very high94.3Very high25 Ų2525.5 Ų25.515%0.15313%0.13CC..EExtended strand (participates in β ladder)trans-96.8122.2179.1-61.70000110.9D197 F198 V199 I231 R233 L241D197-T239 PolarHBondContact O-N 3.03Å; F198-T239 VanDerWaalsContact CA-O 3.29Å; F198-T239 WeakPolarHBondContact CA-O 3.37Å; F198-T239 HydrophobicContact CD1-CG2 4.2Å; F198-T239 HydrophobicContact CE1-CG2 4.3Å; V199-T239 PolarHBondContact N-O 3.45Å; I231-T239 HydrophobicContact CG2-CG2 3.44Å; I231-T239 VanDerWaalsContact CG2-CG2 3.44Å; R233-T239 HydrophobicContact CG-CG2 4.2Å; T239-L241 HydrophobicContact CG2-CD2 3.82Å; T239-L241 HydrophobicContact CG2-CG 4.43Å
240F97.7Very high94.2Very high1 Ų127.7 Ų27.70%0.00414%0.136CC..EExtended strand (participates in β ladder)trans-87.2135.2173.9-76.9-113.4000109.8M184 L187 V199 L201 D232 W235 V238M184-F240 HydrophobicContact SD-CD1 4.47Å; M184-F240 HydrophobicContact SD-CE1 4.19Å; L187-F240 HydrophobicContact CB-CE1 4.05Å; L187-F240 HydrophobicContact CB-CZ 4.18Å; L187-F240 HydrophobicContact CD1-CE1 4.43Å; V199-F240 HydrophobicContact CB-CD1 3.9Å; V199-F240 HydrophobicContact CB-CD2 4.43Å; V199-F240 HydrophobicContact CB-CE1 3.97Å; V199-F240 HydrophobicContact CB-CE2 4.47Å; V199-F240 HydrophobicContact CB-CG 4.15Å; V199-F240 HydrophobicContact CB-CZ 4.26Å; V199-F240 HydrophobicContact CG1-CD1 3.95Å; V199-F240 HydrophobicContact CG1-CE1 3.82Å; V199-F240 HydrophobicContact CG1-CZ 4.43Å; V199-F240 HydrophobicContact CG2-CE1 4.29Å; V199-F240 HydrophobicContact CG2-CE2 4.24Å; V199-F240 HydrophobicContact CG2-CZ 4.11Å; V199-F240 CarbonylContact O-C 3.57Å; V199-F240 WeakPolarHBondContact O-CA 3.41Å; L201-F240 HydrophobicContact CD1-CD1 4Å; L201-F240 HydrophobicContact CD2-CD1 4.19Å; L201-F240 HydrophobicContact CD2-CE1 4.47Å; L201-F240 HydrophobicContact CG-CD1 4.16Å; D232-F240 HydrophobicContact CB-CB 3.98Å; D232-F240 PolarHBondContact N-O 2.94Å; D232-F240 PolarHBondContact O-N 3.4Å; W235-F240 HydrophobicContact CB-CD2 4.29Å; W235-F240 HydrophobicContact CB-CE2 3.97Å; W235-F240 AromaticContact CD1-CD2 3.43Å; W235-F240 VanDerWaalsContact CD1-CD2 3.43Å; W235-F240 AromaticContact CD1-CE2 3.26Å; W235-F240 AromaticContact CD1-CZ 3.97Å; W235-F240 HydrophobicContact CD2-CE2 4.36Å; W235-F240 HydrophobicContact CG-CD2 4.06Å; W235-F240 AromaticContact CG-CE2 3.6Å; W235-F240 HydrophobicContact CG-CE2 3.6Å; W235-F240 HydrophobicContact CG-CZ 4.41Å; W235-F240 AromaticContact NE1-CE2 3.84Å; V238-F240 HydrophobicContact CG1-CD2 4.24Å; V238-F240 HydrophobicContact CG1-CE2 3.93Å
241L97.4Very high94.1Very high1 Ų127.4 Ų27.41%0.00513%0.134CC..EExtended strand (participates in β ladder)trans-122.7143.9-177.2-59.1179.7000110.3M53 L58 F59 F198 V199 L200 L201 M230 I231 T239 P243M53-L241 HydrophobicContact CE-CD1 4.24Å; L58-L241 HydrophobicContact CD1-CD1 3.87Å; L58-L241 HydrophobicContact CD1-CD2 3.5Å; L58-L241 VanDerWaalsContact CD1-CD2 3.5Å; L58-L241 HydrophobicContact CD1-CG 4.33Å; F59-L241 HydrophobicContact CE2-CD1 4.04Å; F59-L241 HydrophobicContact CZ-CD1 3.65Å; F198-L241 HydrophobicContact CB-CD1 4.35Å; F198-L241 HydrophobicContact CD1-CD1 3.91Å; F198-L241 HydrophobicContact CD1-CG 4.35Å; F198-L241 HydrophobicContact CG-CD1 4.36Å; V199-L241 PolarHBondContact O-N 3.27Å; L200-L241 WeakPolarHBondContact CA-O 3.43Å; L200-L241 HydrophobicContact CD1-CB 4.29Å; L200-L241 HydrophobicContact CD1-CD1 3.96Å; L200-L241 HydrophobicContact CG-CB 4.24Å; L201-L241 PolarHBondContact N-O 3.33Å; M230-L241 WeakPolarHBondContact O-CA 3.24Å; I231-L241 HydrophobicContact CB-CD2 4.37Å; I231-L241 HydrophobicContact CG1-CD2 3.87Å; I231-L241 HydrophobicContact CG2-CD2 4.32Å; T239-L241 HydrophobicContact CG2-CD2 3.82Å; T239-L241 HydrophobicContact CG2-CG 4.43Å; L241-P243 WeakPolarHBondContact O-CD 3.43Å
242R97Very high94.2Very high0 Ų026.4 Ų26.40%013%0.129CC..  trans-121.573.6177.6-60.5-175-177.583.43.3111.2L201 D226 E227 A229 M230 D232 L244 R245L201-R242 HydrophobicContact CB-CG 4.38Å; L201-R242 HydrophobicContact CD1-CG 4.43Å; D226-R242 PolarHBondContact O-NH1 3.06Å; E227-R242 PolarHBondContact O-NE 3.17Å; E227-R242 PolarHBondContact O-NH1 3.48Å; E227-R242 PolarHBondContact O-NH2 3Å; A229-R242 WeakPolarHBondContact O-CD 3.34Å; A229-R242 PolarHBondContact O-NH1 3.13Å; M230-R242 PolarHBondContact O-N 3.27Å; D232-R242 IonicContact OD2-CZ 3.29Å; D232-R242 IonicContact OD2-NH1 3.6Å; D232-R242 IonicContact OD2-NH2 3.9Å; D232-R242 PolarHBondContact OD2-NH2 2.71Å; R242-L244 PolarHBondContact O-N 3.02Å; R242-L244 VanDerWaalsContact O-N 3.09Å; R242-R245 HydrophobicContact CB-CB 4.24Å; R242-R245 WeakPolarHBondContact O-CB 3.38Å; R242-R245 PolarHBondContact O-N 3.2Å
243P96.4Very high94.1Very high0 Ų027.8 Ų27.80%014%0.141CC..THydrogen-bonded Turntrans-61.1-25.5-172.7-22.835.6000113.8F49 M53 L78 L200 L201 L241F49-P243 HydrophobicContact CD2-CB 4Å; F49-P243 HydrophobicContact CE2-CB 3.39Å; F49-P243 HydrophobicContact CE2-CG 4.35Å; F49-P243 HydrophobicContact CZ-CB 4.06Å; M53-P243 HydrophobicContact CE-CB 4.48Å; M53-P243 HydrophobicContact CE-CG 3.99Å; M53-P243 HydrophobicContact CG-CB 4.22Å; M53-P243 HydrophobicContact SD-CB 3.71Å; M53-P243 HydrophobicContact SD-CG 3.63Å; L78-P243 HydrophobicContact CD1-CB 3.97Å; L78-P243 HydrophobicContact CD1-CG 3.83Å; L200-P243 HydrophobicContact CB-CG 4.25Å; L200-P243 HydrophobicContact CD2-CG 3.95Å; L200-P243 HydrophobicContact CG-CG 3.87Å; L201-P243 WeakPolarHBondContact O-CD 3.4Å; L241-P243 WeakPolarHBondContact O-CD 3.43Å
244L96.9Very high94.1Very high0 Ų021.9 Ų21.90%012%0.121CC..THydrogen-bonded Turntrans-90.17.1179.3-58.1-173.7000113.8F49 A74 L78 M81 S203 T204 R242 E246 F247 V252F49-L244 HydrophobicContact CD2-CD2 4.38Å; A74-L244 HydrophobicContact CB-CD1 4.12Å; A74-L244 VanDerWaalsContact O-CD1 3.22Å; A74-L244 WeakPolarHBondContact O-CD1 3.42Å; L78-L244 HydrophobicContact CB-CD1 3.95Å; L78-L244 HydrophobicContact CB-CG 4.45Å; L78-L244 HydrophobicContact CD1-CG 4.36Å; M81-L244 HydrophobicContact CE-CD2 4.47Å; M81-L244 HydrophobicContact SD-CD2 3.8Å; S203-L244 CarbonylContact O-C 3.57Å; T204-L244 WeakPolarHBondContact CA-O 3.42Å; R242-L244 PolarHBondContact O-N 3.02Å; R242-L244 VanDerWaalsContact O-N 3.09Å; L244-E246 PolarHBondContact O-N 3.02Å; L244-F247 HydrophobicContact CB-CB 4.43Å; L244-F247 HydrophobicContact CD2-CD2 3.99Å; L244-F247 HydrophobicContact CD2-CE2 4.35Å; L244-F247 HydrophobicContact CD2-CG 4.3Å; L244-F247 WeakPolarHBondContact O-CB 3.48Å; L244-F247 PolarHBondContact O-N 3.2Å; L244-V252 HydrophobicContact CD1-CG1 4.17Å
245R95.1Very high94.2Very high51 Ų5121.3 Ų21.319%0.19212%0.119CC..THydrogen-bonded Turntrans-52.6-30.8-179176.3-179-175.5-81.77.1114.2S203 S205 L208 V228 R242 S309S203-R245 PolarHBondContact O-N 3.22Å; S205-R245 WeakPolarHBondContact CA-O 3.3Å; S205-R245 WeakPolarHBondContact CB-O 3.45Å; L208-R245 HydrophobicContact CD1-CB 4Å; L208-R245 HydrophobicContact CD1-CG 3.77Å; V228-R245 VanDerWaalsContact O-CD 3.26Å; V228-R245 WeakPolarHBondContact O-CD 3.33Å; V228-R245 PolarHBondContact O-NE 3.28Å; R242-R245 HydrophobicContact CB-CB 4.24Å; R242-R245 WeakPolarHBondContact O-CB 3.38Å; R242-R245 PolarHBondContact O-N 3.2Å; R245-S309 PolarHBondContact NH2-OG 3.29Å
246E92.9Very high94.2Very high62 Ų6220.9 Ų20.929%0.2912%0.118SC..THydrogen-bonded Turntrans-91.8-7.8178.9-63.3-173.117000113.3K48 R55 L244K48-E246 VanDerWaalsContact CE-C 3.49Å; K48-E246 WeakPolarHBondContact CE-O 2.93Å; K48-E246 HydrophobicContact CG-CB 4.48Å; K48-E246 PolarHBondContact NZ-O 3.3Å; R55-E246 IonicContact CZ-OE1 3.55Å; R55-E246 IonicContact NH1-OE1 3.49Å; R55-E246 PolarHBondContact NH1-OE1 3.29Å; R55-E246 IonicContact NH2-OE1 2.69Å; R55-E246 PolarHBondContact NH2-OE1 2.98Å; R55-E246 IonicContact NH2-OE2 4Å; L244-E246 PolarHBondContact O-N 3.02Å
247F94.7Very high94.3Very high0 Ų023.3 Ų23.30%012%0.122CC..  trans-94.7139.2-177.5-71.1-101.1000111.8K48 F49 M81 T204 S205 L244 E251 V252K48-F247 HydrophobicContact CB-CE1 4.47Å; K48-F247 HydrophobicContact CB-CE2 4.17Å; K48-F247 HydrophobicContact CB-CZ 3.76Å; K48-F247 HydrophobicContact CD-CD1 4.29Å; K48-F247 HydrophobicContact CD-CD2 4.31Å; K48-F247 HydrophobicContact CD-CE1 3.96Å; K48-F247 HydrophobicContact CD-CE2 3.99Å; K48-F247 HydrophobicContact CD-CG 4.47Å; K48-F247 HydrophobicContact CD-CZ 3.82Å; K48-F247 HydrophobicContact CG-CD2 4.46Å; K48-F247 HydrophobicContact CG-CE1 4.46Å; K48-F247 HydrophobicContact CG-CE2 3.8Å; K48-F247 HydrophobicContact CG-CZ 3.81Å; F49-F247 HydrophobicContact CB-CE2 4.23Å; F49-F247 HydrophobicContact CB-CZ 4.15Å; M81-F247 HydrophobicContact CE-CD1 4.14Å; M81-F247 HydrophobicContact CE-CE1 3.63Å; M81-F247 HydrophobicContact CE-CZ 3.95Å; M81-F247 HydrophobicContact SD-CE1 4.18Å; M81-F247 HydrophobicContact SD-CE2 4.32Å; M81-F247 HydrophobicContact SD-CZ 3.87Å; T204-F247 CarbonylContact C-O 3.52Å; T204-F247 WeakPolarHBondContact CA-O 3.49Å; T204-F247 WeakPolarHBondContact CB-O 3.41Å; S205-F247 PolarHBondContact N-O 3.07Å; S205-F247 PolarHBondContact OG-O 3.16Å; S205-F247 VanDerWaalsContact OG-O 3.04Å; L244-F247 HydrophobicContact CB-CB 4.43Å; L244-F247 HydrophobicContact CD2-CD2 3.99Å; L244-F247 HydrophobicContact CD2-CE2 4.35Å; L244-F247 HydrophobicContact CD2-CG 4.3Å; L244-F247 WeakPolarHBondContact O-CB 3.48Å; L244-F247 PolarHBondContact O-N 3.2Å; F247-E251 VanDerWaalsContact CA-OE2 3.25Å; F247-E251 WeakPolarHBondContact CA-OE2 3.33Å; F247-E251 HydrophobicContact CD1-CB 4.19Å; F247-V252 HydrophobicContact CB-CG1 3.86Å; F247-V252 HydrophobicContact CG-CG1 4.46Å
248T93.3Very high94.3Very high7 Ų724.4 Ų24.44%0.04312%0.118CC..  trans-84.5163.5171.368.30000111.6E250 E251 V252T248-E250 PolarHBondContact O-N 3.41Å; T248-E251 PolarHBondContact N-OE2 3.21Å; T248-E251 PolarHBondContact O-N 3.29Å; T248-E251 VanDerWaalsContact O-N 3.17Å; T248-E251 WeakPolarHBondContact OG1-CG 3.43Å; T248-E251 PolarHBondContact OG1-N 3.04Å; T248-E251 VanDerWaalsContact OG1-N 3.11Å; T248-V252 PolarHBondContact O-N 3.35Å; T248-V252 VanDerWaalsContact O-N 3.13Å
249N92.5Very high93.5Very high48 Ų4825 Ų2526%0.25712%0.12SC..Hα-helixtrans-56.3-39.2172.2-75.9-3.1000112.3T204 T206 V252 A253T204-N249 WeakPolarHBondContact CB-OD1 3.38Å; T204-N249 WeakPolarHBondContact CG2-OD1 3.37Å; T204-N249 PolarHBondContact OG1-OD1 3.14Å; T206-N249 HydrophobicContact CG2-CB 4.46Å; T206-N249 PolarHBondContact OG1-N 3.43Å; N249-V252 WeakPolarHBondContact O-CG2 3.31Å; N249-A253 WeakPolarHBondContact O-CB 3.38Å; N249-A253 PolarHBondContact O-N 3.36Å
250E91.1Very high92.4Very high71 Ų7127.2 Ų27.233%0.33213%0.128SC..Hα-helixtrans-61.5-47.5174.7-176.7-167.3179.700111.6Q31 T248 V252 A253 L254Q31-E250 PolarHBondContact N-OE1 3.27Å; Q31-E250 PolarHBondContact N-OE2 2.88Å; T248-E250 PolarHBondContact O-N 3.41Å; E250-V252 PolarHBondContact O-N 3.01Å; E250-A253 PolarHBondContact O-N 3.4Å; E250-L254 HydrophobicContact CG-CD1 3.87Å; E250-L254 WeakPolarHBondContact O-CB 3.41Å; E250-L254 VanDerWaalsContact O-CG 3.29Å; E250-L254 WeakPolarHBondContact O-CG 3.36Å; E250-L254 PolarHBondContact O-N 3.39Å
251E93Very high91.4Very high13 Ų1333.1 Ų33.16%0.06116%0.156CC..Hα-helixtrans-63.1-40.5-178.6-76.5179.2137.600112.3L30 K48 F247 T248 F255L30-E251 HydrophobicContact CD1-CG 4.45Å; L30-E251 HydrophobicContact CD2-CG 4.08Å; K48-E251 VanDerWaalsContact NZ-CD 3.28Å; K48-E251 IonicContact NZ-OE1 3.04Å; K48-E251 PolarHBondContact NZ-OE1 3.27Å; K48-E251 IonicContact NZ-OE2 2.71Å; K48-E251 PolarHBondContact NZ-OE2 2.85Å; F247-E251 VanDerWaalsContact CA-OE2 3.25Å; F247-E251 WeakPolarHBondContact CA-OE2 3.33Å; F247-E251 HydrophobicContact CD1-CB 4.19Å; T248-E251 PolarHBondContact N-OE2 3.21Å; T248-E251 PolarHBondContact O-N 3.29Å; T248-E251 VanDerWaalsContact O-N 3.17Å; T248-E251 WeakPolarHBondContact OG1-CG 3.43Å; T248-E251 PolarHBondContact OG1-N 3.04Å; T248-E251 VanDerWaalsContact OG1-N 3.11Å; E251-F255 VanDerWaalsContact O-CB 3.28Å; E251-F255 WeakPolarHBondContact O-CB 3.38Å; E251-F255 PolarHBondContact O-N 3.27Å
252V94.7Very high90.8Very high1 Ų141.3 Ų41.31%0.00619%0.187CC..Hα-helixtrans-70.8-38.9177.9-61.10000111.8A74 S77 T204 L244 F247 T248 N249 E250 F255 N256A74-V252 HydrophobicContact CB-CG2 4.32Å; S77-V252 WeakPolarHBondContact OG-CA 2.97Å; S77-V252 WeakPolarHBondContact OG-CB 3.26Å; S77-V252 PolarHBondContact OG-O 3Å; T204-V252 HydrophobicContact CG2-CG1 4.13Å; T204-V252 HydrophobicContact CG2-CG2 4.14Å; L244-V252 HydrophobicContact CD1-CG1 4.17Å; F247-V252 HydrophobicContact CB-CG1 3.86Å; F247-V252 HydrophobicContact CG-CG1 4.46Å; T248-V252 PolarHBondContact O-N 3.35Å; T248-V252 VanDerWaalsContact O-N 3.13Å; N249-V252 WeakPolarHBondContact O-CG2 3.31Å; E250-V252 PolarHBondContact O-N 3.01Å; V252-F255 WeakPolarHBondContact O-CB 3.34Å; V252-F255 PolarHBondContact O-N 3.29Å; V252-N256 PolarHBondContact O-N 3.24Å
253A93.2Very high90.4Very high31 Ų3144.6 Ų44.626%0.25620%0.202SC..Hα-helixtrans-63.9-45.4175.400000111.6N249 E250 F255 N256 Y257 I264N249-A253 WeakPolarHBondContact O-CB 3.38Å; N249-A253 PolarHBondContact O-N 3.36Å; E250-A253 PolarHBondContact O-N 3.4Å; A253-F255 VanDerWaalsContact C-N 3.32Å; A253-F255 PolarHBondContact O-N 2.85Å; A253-N256 PolarHBondContact O-N 2.94Å; A253-Y257 WeakPolarHBondContact O-CB 3.48Å; A253-Y257 PolarHBondContact O-N 3.36Å; A253-I264 HydrophobicContact CB-CG2 4.35Å
254L93.1Very high90Very high38 Ų3847.7 Ų47.720%0.19922%0.218CC..Hα-helixtrans-65.4-36.2175.5-68.6170.2000111.7V28 L30 F41 E250 Y257 F258V28-L254 HydrophobicContact CG1-CB 4.47Å; V28-L254 HydrophobicContact CG1-CD1 4.02Å; L30-L254 HydrophobicContact CD2-CD1 3.46Å; L30-L254 VanDerWaalsContact CD2-CD1 3.46Å; F41-L254 HydrophobicContact CE1-CB 4.03Å; F41-L254 HydrophobicContact CZ-CB 4.08Å; E250-L254 HydrophobicContact CG-CD1 3.87Å; E250-L254 WeakPolarHBondContact O-CB 3.41Å; E250-L254 VanDerWaalsContact O-CG 3.29Å; E250-L254 WeakPolarHBondContact O-CG 3.36Å; E250-L254 PolarHBondContact O-N 3.39Å; L254-Y257 PolarHBondContact O-N 3.08Å; L254-F258 HydrophobicContact CB-CD2 4.42Å; L254-F258 HydrophobicContact CD2-CE2 3.93Å; L254-F258 VanDerWaalsContact O-CD2 3.26Å; L254-F258 WeakPolarHBondContact O-CD2 3.31Å; L254-F258 PolarHBondContact O-N 3.12Å
255F93.7Very high89.9Confident3 Ų349.4 Ų49.41%0.01323%0.229CC..Hα-helixtrans-59.5-50.6173.3-178.1-94.4000110.4F41 S77 N80 M81 E251 V252 A253 Y257 F258 F259F41-F255 HydrophobicContact CE1-CB 4.42Å; S77-F255 WeakPolarHBondContact OG-CD1 3.41Å; N80-F255 HydrophobicContact CB-CE1 3.91Å; M81-F255 HydrophobicContact CE-CB 4.23Å; M81-F255 HydrophobicContact CE-CD1 3.64Å; M81-F255 HydrophobicContact CE-CD2 3.76Å; M81-F255 HydrophobicContact CE-CE1 3.85Å; M81-F255 HydrophobicContact CE-CE2 3.98Å; M81-F255 HydrophobicContact CE-CG 3.59Å; M81-F255 HydrophobicContact CE-CZ 4.02Å; M81-F255 HydrophobicContact CG-CD1 4.46Å; M81-F255 HydrophobicContact CG-CE1 3.76Å; M81-F255 HydrophobicContact CG-CE2 4.39Å; M81-F255 HydrophobicContact CG-CZ 3.72Å; E251-F255 VanDerWaalsContact O-CB 3.28Å; E251-F255 WeakPolarHBondContact O-CB 3.38Å; E251-F255 PolarHBondContact O-N 3.27Å; V252-F255 WeakPolarHBondContact O-CB 3.34Å; V252-F255 PolarHBondContact O-N 3.29Å; A253-F255 VanDerWaalsContact C-N 3.32Å; A253-F255 PolarHBondContact O-N 2.85Å; F255-Y257 VanDerWaalsContact C-N 3.32Å; F255-Y257 PolarHBondContact O-N 2.89Å; F255-F258 PolarHBondContact O-N 2.98Å; F255-F259 HydrophobicContact CB-CD2 4.32Å; F255-F259 AromaticContact CD2-CD2 3.4Å; F255-F259 HydrophobicContact CD2-CD2 3.4Å; F255-F259 AromaticContact CD2-CE2 3.8Å; F255-F259 HydrophobicContact CD2-CE2 3.8Å; F255-F259 HydrophobicContact CD2-CG 4.43Å; F255-F259 AromaticContact CE2-CD2 3.74Å; F255-F259 HydrophobicContact CE2-CD2 3.74Å; F255-F259 HydrophobicContact CE2-CE2 4.29Å; F255-F259 HydrophobicContact CE2-CG 4.41Å; F255-F259 AromaticContact CG-CD2 3.86Å; F255-F259 HydrophobicContact CG-CD2 3.86Å; F255-F259 HydrophobicContact CG-CE2 4.48Å; F255-F259 HydrophobicContact CZ-CD2 4.45Å; F255-F259 VanDerWaalsContact O-CB 3.24Å; F255-F259 WeakPolarHBondContact O-CB 3.13Å; F255-F259 WeakPolarHBondContact O-CD2 3.45Å; F255-F259 WeakPolarHBondContact O-CG 3.28Å; F255-F259 PolarHBondContact O-N 3.15Å
256N93.7Very high89.8Confident0 Ų047.6 Ų47.60%022%0.222CC..Hα-helixtrans-68.1-29.8178.5-63.3-13.2000113.7A73 S77 V252 A253 F259 R262 Q263 I264A73-N256 PolarHBondContact O-ND2 3.18Å; S77-N256 WeakPolarHBondContact CA-OD1 3.48Å; S77-N256 WeakPolarHBondContact CB-OD1 3.28Å; S77-N256 PolarHBondContact N-OD1 3.49Å; S77-N256 VanDerWaalsContact OG-CG 3.27Å; S77-N256 PolarHBondContact OG-ND2 3.48Å; S77-N256 PolarHBondContact OG-OD1 3.39Å; V252-N256 PolarHBondContact O-N 3.24Å; A253-N256 PolarHBondContact O-N 2.94Å; N256-F259 CarbonylContact C-O 3.38Å; N256-R262 CarbonylContact O-C 3.46Å; N256-R262 WeakPolarHBondContact O-CA 3.25Å; N256-Q263 WeakPolarHBondContact CB-O 3.32Å; N256-I264 PolarHBondContact ND2-O 3.41Å
257Y92Very high89.8Confident102 Ų10246.9 Ų46.940%0.422%0.223SC..Hα-helixtrans-70-44.5178.1178.2-101.1000112.2A253 L254 F255 R262 I264A253-Y257 WeakPolarHBondContact O-CB 3.48Å; A253-Y257 PolarHBondContact O-N 3.36Å; L254-Y257 PolarHBondContact O-N 3.08Å; F255-Y257 VanDerWaalsContact C-N 3.32Å; F255-Y257 PolarHBondContact O-N 2.89Å; Y257-R262 WeakPolarHBondContact O-CG 3.24Å; Y257-I264 HydrophobicContact CD2-CD1 4.02Å; Y257-I264 HydrophobicContact CD2-CG1 4.44Å
258F89.4Confident89.8Confident55 Ų5547 Ų4724%0.24122%0.223CC..Hα-helixtrans-86.5-11.7-177.5-72-66.5000113.6S27 V28 V38 L254 F255S27-F258 WeakPolarHBondContact O-CZ 3.43Å; V28-F258 HydrophobicContact CB-CE2 4.27Å; V28-F258 HydrophobicContact CG1-CD2 4.49Å; V28-F258 HydrophobicContact CG1-CE2 4.21Å; V28-F258 HydrophobicContact CG2-CD2 3.72Å; V28-F258 HydrophobicContact CG2-CE2 3.59Å; V28-F258 HydrophobicContact CG2-CG 4.31Å; V28-F258 HydrophobicContact CG2-CZ 4.05Å; V38-F258 HydrophobicContact CG1-CB 4.13Å; V38-F258 HydrophobicContact CG2-CD1 3.7Å; V38-F258 HydrophobicContact CG2-CE1 4.08Å; V38-F258 HydrophobicContact CG2-CG 4.26Å; L254-F258 HydrophobicContact CB-CD2 4.42Å; L254-F258 HydrophobicContact CD2-CE2 3.93Å; L254-F258 VanDerWaalsContact O-CD2 3.26Å; L254-F258 WeakPolarHBondContact O-CD2 3.31Å; L254-F258 PolarHBondContact O-N 3.12Å; F255-F258 PolarHBondContact O-N 2.98Å
259F80.1Confident89.7Confident17 Ų1747.1 Ų47.18%0.07522%0.223CC..SBendtrans-134.9151.5-174.9-47.3-65.3000111.5V38 F41 Q42 F255 N256V38-F259 HydrophobicContact CG1-CD1 4.43Å; V38-F259 HydrophobicContact CG1-CE1 3.48Å; V38-F259 VanDerWaalsContact CG1-CE1 3.48Å; V38-F259 HydrophobicContact CG1-CZ 3.83Å; V38-F259 WeakPolarHBondContact O-CZ 3.26Å; F41-F259 AromaticContact CD1-CE2 3.48Å; F41-F259 HydrophobicContact CD1-CE2 3.48Å; F41-F259 VanDerWaalsContact CD1-CE2 3.48Å; F41-F259 AromaticContact CD1-CZ 3.8Å; F41-F259 HydrophobicContact CD1-CZ 3.8Å; F41-F259 AromaticContact CE1-CE2 3.73Å; F41-F259 HydrophobicContact CE1-CE2 3.73Å; F41-F259 HydrophobicContact CE1-CZ 4.48Å; Q42-F259 HydrophobicContact CB-CD1 4.31Å; Q42-F259 HydrophobicContact CB-CE1 3.45Å; Q42-F259 VanDerWaalsContact CB-CE1 3.45Å; Q42-F259 HydrophobicContact CB-CE2 4.25Å; Q42-F259 HydrophobicContact CB-CZ 3.44Å; Q42-F259 VanDerWaalsContact CB-CZ 3.44Å; Q42-F259 HydrophobicContact CG-CD1 3.94Å; Q42-F259 HydrophobicContact CG-CE1 3.58Å; Q42-F259 HydrophobicContact CG-CE2 4.44Å; Q42-F259 HydrophobicContact CG-CZ 3.9Å; F255-F259 HydrophobicContact CB-CD2 4.32Å; F255-F259 AromaticContact CD2-CD2 3.4Å; F255-F259 HydrophobicContact CD2-CD2 3.4Å; F255-F259 AromaticContact CD2-CE2 3.8Å; F255-F259 HydrophobicContact CD2-CE2 3.8Å; F255-F259 HydrophobicContact CD2-CG 4.43Å; F255-F259 AromaticContact CE2-CD2 3.74Å; F255-F259 HydrophobicContact CE2-CD2 3.74Å; F255-F259 HydrophobicContact CE2-CE2 4.29Å; F255-F259 HydrophobicContact CE2-CG 4.41Å; F255-F259 AromaticContact CG-CD2 3.86Å; F255-F259 HydrophobicContact CG-CD2 3.86Å; F255-F259 HydrophobicContact CG-CE2 4.48Å; F255-F259 HydrophobicContact CZ-CD2 4.45Å; F255-F259 VanDerWaalsContact O-CB 3.24Å; F255-F259 WeakPolarHBondContact O-CB 3.13Å; F255-F259 WeakPolarHBondContact O-CD2 3.45Å; F255-F259 WeakPolarHBondContact O-CG 3.28Å; F255-F259 PolarHBondContact O-N 3.15Å; N256-F259 CarbonylContact C-O 3.38Å
260H72Confident89.4Confident70 Ų7047.6 Ų47.632%0.32423%0.229SC..SBendtrans58.374.5173-58.4-85.1000115.6N80 R262 Q263N80-H260 PolarHBondContact OD1-ND1 3.47Å; H260-R262 PolarHBondContact O-N 3.42Å; H260-Q263 PolarHBondContact O-N 2.96Å
261E77.4Confident88.9Confident125 Ų12546.5 Ų46.558%0.58422%0.224SC*.THydrogen-bonded Turntrans64.26.6174.2-54.6-175.6167.300115.1R124 Q263R124-E261 IonicContact CZ-OE1 2.96Å; R124-E261 IonicContact NH1-OE1 2.73Å; R124-E261 PolarHBondContact NH1-OE1 3.49Å; R124-E261 VanDerWaalsContact NH1-OE1 3.11Å; R124-E261 IonicContact NH1-OE2 3.93Å; R124-E261 PolarHBondContact NH1-OE2 3.24Å; R124-E261 IonicContact NH2-OE1 3.95Å; R124-E261 PolarHBondContact NH2-OE1 2.96Å; E261-Q263 PolarHBondContact O-N 3.41Å
262R84.9Confident88.4Confident173 Ų17349.2 Ų49.265%0.65323%0.233SC*.THydrogen-bonded Turntrans61.719.6-176.5-48.3-173.1175.3-153.2-0.5113.6N256 Y257 H260 I264N256-R262 CarbonylContact O-C 3.46Å; N256-R262 WeakPolarHBondContact O-CA 3.25Å; Y257-R262 WeakPolarHBondContact O-CG 3.24Å; H260-R262 PolarHBondContact O-N 3.42Å; R262-I264 PolarHBondContact O-N 2.91Å
263Q88.1Confident87.4Confident69 Ų6954 Ų5432%0.32226%0.258SS..  trans-8299-178.8-170.66428.300109.9N256 H260 E261 T265 F266N256-Q263 WeakPolarHBondContact CB-O 3.32Å; H260-Q263 PolarHBondContact O-N 2.96Å; E261-Q263 PolarHBondContact O-N 3.41Å; Q263-T265 PolarHBondContact NE2-O 3.42Å; Q263-F266 HydrophobicContact CG-CD2 4.3Å; Q263-F266 HydrophobicContact CG-CE1 3.98Å; Q263-F266 HydrophobicContact CG-CE2 3.63Å; Q263-F266 HydrophobicContact CG-CZ 3.46Å; Q263-F266 VanDerWaalsContact CG-CZ 3.46Å
264I88.7Confident86Confident65 Ų6556.9 Ų56.933%0.33327%0.269SS..  trans-68.4-46.1-176.4-61178000111.7A73 A253 N256 Y257 R262A73-I264 VanDerWaalsContact CA-O 3.23Å; A73-I264 WeakPolarHBondContact CA-O 3.46Å; A73-I264 HydrophobicContact CB-CG2 4.14Å; A73-I264 WeakPolarHBondContact CB-O 3.46Å; A253-I264 HydrophobicContact CB-CG2 4.35Å; N256-I264 PolarHBondContact ND2-O 3.41Å; Y257-I264 HydrophobicContact CD2-CD1 4.02Å; Y257-I264 HydrophobicContact CD2-CG1 4.44Å; R262-I264 PolarHBondContact O-N 2.91Å
265T93.7Very high84.2Confident36 Ų3658.2 Ų58.222%0.22128%0.279CS..  trans-156.4158.7-173-170.80000109.5G71 Q263G71-T265 CarbonylContact O-C 3.49Å; G71-T265 WeakPolarHBondContact O-CA 3.39Å; G71-T265 PolarHBondContact O-OG1 2.87Å; Q263-T265 PolarHBondContact NE2-O 3.42Å
266F94.6Very high82.1Confident14 Ų1464 Ų646%0.06132%0.317CS..  trans-110.5107.8165.2-64-92.7000107.7G71 V76 A117 L118 Y121 Q263 V268G71-F266 CarbonylContact C-O 3.54Å; G71-F266 WeakPolarHBondContact CA-O 3.32Å; G71-F266 PolarHBondContact O-N 3.28Å; V76-F266 HydrophobicContact CG2-CD2 3.58Å; V76-F266 HydrophobicContact CG2-CE2 3.84Å; A117-F266 HydrophobicContact CB-CD1 3.91Å; A117-F266 HydrophobicContact CB-CE1 3.95Å; L118-F266 HydrophobicContact CB-CB 3.88Å; L118-F266 HydrophobicContact CB-CD1 4.05Å; L118-F266 HydrophobicContact CB-CD2 4.21Å; L118-F266 HydrophobicContact CB-CG 3.79Å; L118-F266 HydrophobicContact CD1-CB 4.33Å; L118-F266 HydrophobicContact CD1-CD2 3.56Å; L118-F266 HydrophobicContact CD1-CE2 4.02Å; L118-F266 HydrophobicContact CD1-CG 4.01Å; L118-F266 HydrophobicContact CG-CD2 4.48Å; L118-F266 HydrophobicContact CG-CG 4.48Å; Y121-F266 AromaticContact CD1-CE2 3.92Å; Y121-F266 HydrophobicContact CD1-CE2 3.92Å; Y121-F266 HydrophobicContact CD1-CZ 4Å; Y121-F266 HydrophobicContact CD2-CE2 4.41Å; Y121-F266 AromaticContact CD2-CZ 3.81Å; Y121-F266 HydrophobicContact CD2-CZ 3.81Å; Y121-F266 HydrophobicContact CE1-CE2 4.36Å; Y121-F266 HydrophobicContact CE2-CZ 4.48Å; Y121-F266 AromaticContact CG-CE2 3.93Å; Y121-F266 HydrophobicContact CG-CE2 3.93Å; Y121-F266 AromaticContact CG-CZ 3.51Å; Y121-F266 HydrophobicContact CG-CZ 3.51Å; Q263-F266 HydrophobicContact CG-CD2 4.3Å; Q263-F266 HydrophobicContact CG-CE1 3.98Å; Q263-F266 HydrophobicContact CG-CE2 3.63Å; Q263-F266 HydrophobicContact CG-CZ 3.46Å; Q263-F266 VanDerWaalsContact CG-CZ 3.46Å; F266-V268 HydrophobicContact CB-CG2 4.48Å; F266-V268 PolarHBondContact O-N 2.91Å
267P93.1Very high80.1Confident47 Ų4770 Ų7031%0.30535%0.348SS..  trans-77.763-173.934.1-36.8000111.5Y269 P270 L273P267-Y269 PolarHBondContact O-N 3.35Å; P267-P270 WeakPolarHBondContact O-CD 3.28Å; P267-L273 HydrophobicContact CB-CD1 3.64Å
268V93.2Very high78.4Confident1 Ų170.4 Ų70.41%0.00635%0.349CS..SBendtrans-55.1-36.3177.2-177.30000111F110 D111 L115 L118 F266 P270F110-V268 CarbonylContact C-O 3.45Å; F110-V268 WeakPolarHBondContact CA-O 3.25Å; F110-V268 HydrophobicContact CB-CG1 4.25Å; F110-V268 WeakPolarHBondContact CB-O 3.41Å; D111-V268 PolarHBondContact N-O 2.8Å; L115-V268 HydrophobicContact CB-CG1 4.18Å; L118-V268 HydrophobicContact CD2-CG2 3.99Å; F266-V268 HydrophobicContact CB-CG2 4.48Å; F266-V268 PolarHBondContact O-N 2.91Å; V268-P270 WeakPolarHBondContact O-CD 3.35Å
269Y91.3Very high77.3Confident11 Ų1171 Ų714%0.04336%0.364CS..SBendtrans-119.180.5176.7-60.9-80.9000109.1L104 F105 E108 F110 P267 Q271 R272L104-Y269 WeakPolarHBondContact CA-OH 3.25Å; L104-Y269 WeakPolarHBondContact CD1-OH 3.32Å; F105-Y269 HydrophobicContact CB-CE1 4.21Å; F105-Y269 PolarHBondContact N-OH 2.63Å; E108-Y269 HydrophobicContact CB-CD1 4.21Å; E108-Y269 HydrophobicContact CB-CE1 4.07Å; F110-Y269 HydrophobicContact CB-CD1 3.87Å; F110-Y269 HydrophobicContact CB-CE1 3.59Å; P267-Y269 PolarHBondContact O-N 3.35Å; Y269-Q271 PolarHBondContact O-N 3.12Å; Y269-R272 HydrophobicContact CG-CG 4.5Å; Y269-R272 VanDerWaalsContact O-CB 3.29Å; Y269-R272 WeakPolarHBondContact O-CB 3.41Å; Y269-R272 PolarHBondContact O-N 3.41Å
270P85.8Confident77.5Confident57 Ų5774.7 Ų74.737%0.3740%0.398SS..G310 helixtrans-59.9-33.5-172.723.6-33.2000112.7P267 V268 R272 L273P267-P270 WeakPolarHBondContact O-CD 3.28Å; V268-P270 WeakPolarHBondContact O-CD 3.35Å; P270-R272 PolarHBondContact O-N 3.11Å; P270-L273 WeakPolarHBondContact O-CB 3.37Å; P270-L273 PolarHBondContact O-N 3.37Å
271Q82.1Confident78.5Confident49 Ų4971.8 Ų71.823%0.22939%0.386CS..G310 helixtrans-60.9-26.6174.672.5-75.82.600113.4Q109 Y269 L273 L274Q109-Q271 PolarHBondContact O-NE2 3.36Å; Q109-Q271 PolarHBondContact O-OE1 3.03Å; Y269-Q271 PolarHBondContact O-N 3.12Å; Q271-L273 PolarHBondContact O-N 2.94Å; Q271-L274 PolarHBondContact O-N 2.89Å
272R82.3Confident79.3Confident69 Ų6968.6 Ų68.626%0.2637%0.372SS..G310 helixtrans-71.4-15.7176.7-71-173.2-176180-6.8112.6F105 E108 Y269 P270 R278F105-R272 VanDerWaalsContact CD2-NH2 3.31Å; E108-R272 IonicContact OE1-CZ 2.75Å; E108-R272 IonicContact OE1-NE 2.71Å; E108-R272 IonicContact OE1-NH2 3.26Å; E108-R272 PolarHBondContact OE1-NH2 3.31Å; E108-R272 IonicContact OE2-CZ 2.84Å; E108-R272 IonicContact OE2-NE 3.1Å; E108-R272 PolarHBondContact OE2-NE 3.35Å; E108-R272 IonicContact OE2-NH2 2.94Å; E108-R272 PolarHBondContact OE2-NH2 3.03Å; Y269-R272 HydrophobicContact CG-CG 4.5Å; Y269-R272 VanDerWaalsContact O-CB 3.29Å; Y269-R272 WeakPolarHBondContact O-CB 3.41Å; Y269-R272 PolarHBondContact O-N 3.41Å; P270-R272 PolarHBondContact O-N 3.11Å; R272-R278 PolarHBondContact O-NH1 3Å; R272-R278 VanDerWaalsContact O-NH1 3.17Å; R272-R278 PolarHBondContact O-NH2 3.34Å
273L73Confident79.8Confident101 Ų10161.5 Ų61.553%0.52935%0.346SS..G310 helixtrans-91-18.7173.7-57.9176.3000112.4P267 P270 Q271 T275P267-L273 HydrophobicContact CB-CD1 3.64Å; P270-L273 WeakPolarHBondContact O-CB 3.37Å; P270-L273 PolarHBondContact O-N 3.37Å; Q271-L273 PolarHBondContact O-N 2.94Å; L273-T275 PolarHBondContact O-N 2.86Å
274L65Low80Confident93 Ų9359.2 Ų59.249%0.48734%0.337SS..  trans-92.584.3-179.5-60.2174.9000108.7Q271 P276 L277Q271-L274 PolarHBondContact O-N 2.89Å; L274-P276 VanDerWaalsContact C-N 3.31Å; L274-P276 VanDerWaalsContact O-N 3.15Å; L274-L277 HydrophobicContact CB-CD1 3.84Å; L274-L277 HydrophobicContact CD1-CD1 3.72Å; L274-L277 HydrophobicContact CG-CD1 4.44Å; L274-L277 PolarHBondContact O-N 3.48Å
275T53.4Low80.2Confident66 Ų6658.5 Ų58.541%0.40534%0.341SS..G310 helixtrans-42.1-44.3180-36.70000115L273 L277 R278 E288L273-T275 PolarHBondContact O-N 2.86Å; T275-L277 VanDerWaalsContact C-N 3.25Å; T275-L277 PolarHBondContact O-N 2.93Å; T275-R278 PolarHBondContact O-N 3.44Å; T275-E288 HydrophobicContact CG2-CG 4.17Å; T275-E288 WeakPolarHBondContact CG2-OE1 3.3Å
276P50.6Low80.2Confident124 Ų12457.2 Ų57.281%0.80533%0.333SS*.G310 helixtrans-71.6-12.8-176.815.2-14.4000115.1L274L274-P276 VanDerWaalsContact C-N 3.31Å; L274-P276 VanDerWaalsContact O-N 3.15Å
277L50.9Low80.1Confident125 Ų12558.7 Ų58.765%0.65435%0.345SS*.G310 helixtrans-90.6-8-179.2-77.1162.8000113.6L274 T275L274-L277 HydrophobicContact CB-CD1 3.84Å; L274-L277 HydrophobicContact CD1-CD1 3.72Å; L274-L277 HydrophobicContact CG-CD1 4.44Å; L274-L277 PolarHBondContact O-N 3.48Å; T275-L277 VanDerWaalsContact C-N 3.25Å; T275-L277 PolarHBondContact O-N 2.93Å
278R56.2Low80Confident111 Ų11160.7 Ų60.742%0.41935%0.351SS..SBendtrans-77.2133.9179.9-79.3-173.5164.4147.7-7.6110.9R272 T275 A280 V284R272-R278 PolarHBondContact O-NH1 3Å; R272-R278 VanDerWaalsContact O-NH1 3.17Å; R272-R278 PolarHBondContact O-NH2 3.34Å; T275-R278 PolarHBondContact O-N 3.44Å; R278-A280 PolarHBondContact O-N 2.89Å; R278-V284 HydrophobicContact CB-CG2 4.12Å
279A66.2Low80Confident67 Ų6766 Ų6655%0.55437%0.373SS*.PPolyproline II helixtrans-52.7129.8169.300000109.9S281A279-S281 PolarHBondContact O-N 2.75Å; A279-S281 VanDerWaalsContact O-N 3.16Å
280A84Confident80Confident95 Ų9565.5 Ų65.579%0.78537%0.372SS*.PPolyproline II helixtrans-52.5121.7-179.100000110.3R278R278-A280 PolarHBondContact O-N 2.89Å
281S93.2Very high80.1Confident10 Ų1067.5 Ų67.57%0.0738%0.376CS..  trans-145.2155.7178.270.60000110.6A279 Q283 V284 A285A279-S281 PolarHBondContact O-N 2.75Å; A279-S281 VanDerWaalsContact O-N 3.16Å; S281-Q283 PolarHBondContact O-N 2.83Å; S281-Q283 PolarHBondContact OG-OE1 3.25Å; S281-V284 PolarHBondContact O-N 2.89Å; S281-V284 VanDerWaalsContact OG-CG2 3.3Å; S281-V284 WeakPolarHBondContact OG-CG2 3.33Å; S281-V284 PolarHBondContact OG-N 3.45Å; S281-A285 PolarHBondContact O-N 3.29Å
282I95.2Very high80.4Confident57 Ų5770.7 Ų70.729%0.29239%0.391SS..Hα-helixtrans-63.5-29178.3-167.858.4000111.8T173 A217 Q218 S286T173-I282 HydrophobicContact CG2-CB 4.41Å; T173-I282 HydrophobicContact CG2-CG2 3.46Å; T173-I282 VanDerWaalsContact CG2-CG2 3.46Å; T173-I282 PolarHBondContact OG1-N 3.18Å; A217-I282 HydrophobicContact CB-CD1 4.15Å; A217-I282 HydrophobicContact CB-CG1 3.71Å; Q218-I282 HydrophobicContact CG-CG2 4.12Å; I282-S286 WeakPolarHBondContact O-CB 3.33Å; I282-S286 PolarHBondContact O-N 3.45Å; I282-S286 PolarHBondContact O-OG 2.94Å
283Q94.6Very high80.6Confident25 Ų2569.2 Ų69.212%0.11739%0.388CS..Hα-helixtrans-68.5-42.7176.2-61.288.2-18.900111.5T173 N176 E177 S281 S287T173-Q283 PolarHBondContact O-NE2 2.92Å; N176-Q283 HydrophobicContact CB-CG 4.36Å; E177-Q283 PolarHBondContact OE2-NE2 3.49Å; S281-Q283 PolarHBondContact O-N 2.83Å; S281-Q283 PolarHBondContact OG-OE1 3.25Å; Q283-S287 WeakPolarHBondContact O-CB 3.42Å; Q283-S287 PolarHBondContact O-N 3.49Å; Q283-S287 PolarHBondContact O-OG 3.31Å
284V92.2Very high81.2Confident20 Ų2065.6 Ų65.612%0.12137%0.369CS..Hα-helixtrans-65-49.7175.4172.30000110R278 S281 S286 S287 E288R278-V284 HydrophobicContact CB-CG2 4.12Å; S281-V284 PolarHBondContact O-N 2.89Å; S281-V284 VanDerWaalsContact OG-CG2 3.3Å; S281-V284 WeakPolarHBondContact OG-CG2 3.33Å; S281-V284 PolarHBondContact OG-N 3.45Å; V284-S286 VanDerWaalsContact C-N 3.31Å; V284-S286 PolarHBondContact O-N 2.81Å; V284-S287 WeakPolarHBondContact O-CB 3.41Å; V284-S287 PolarHBondContact O-N 3.33Å; V284-E288 HydrophobicContact CG1-CG 4.41Å; V284-E288 WeakPolarHBondContact O-CG 3.19Å; V284-E288 PolarHBondContact O-N 2.93Å
285A93.7Very high82Confident51 Ų5165.7 Ų65.742%0.42137%0.373SS..Hα-helixtrans-58.4-41.4177.700000112.4S281 S287 F289S281-A285 PolarHBondContact O-N 3.29Å; A285-S287 VanDerWaalsContact C-N 3.35Å; A285-F289 VanDerWaalsContact O-CB 3.25Å; A285-F289 WeakPolarHBondContact O-CB 3.46Å; A285-F289 PolarHBondContact O-N 2.73Å
286S94.4Very high83.3Confident8 Ų868.3 Ų68.36%0.05638%0.381CS..Hα-helixtrans-66.2-36.8176.1-61.20000112.3A210 S214 I282 V284 V290A210-S286 WeakPolarHBondContact O-CB 3.47Å; S214-S286 PolarHBondContact N-OG 3.35Å; I282-S286 WeakPolarHBondContact O-CB 3.33Å; I282-S286 PolarHBondContact O-N 3.45Å; I282-S286 PolarHBondContact O-OG 2.94Å; V284-S286 VanDerWaalsContact C-N 3.31Å; V284-S286 PolarHBondContact O-N 2.81Å; S286-V290 WeakPolarHBondContact O-CB 3.37Å; S286-V290 VanDerWaalsContact O-CG2 3.29Å; S286-V290 WeakPolarHBondContact O-CG2 3.23Å; S286-V290 PolarHBondContact O-N 3.22Å
287S92.1Very high84.8Confident46 Ų4668 Ų6832%0.32237%0.367SS..Hα-helixtrans-68.5-48.7178.6-58.20000110.9Q283 V284 A285 F289 V290 E291Q283-S287 WeakPolarHBondContact O-CB 3.42Å; Q283-S287 PolarHBondContact O-N 3.49Å; Q283-S287 PolarHBondContact O-OG 3.31Å; V284-S287 WeakPolarHBondContact O-CB 3.41Å; V284-S287 PolarHBondContact O-N 3.33Å; A285-S287 VanDerWaalsContact C-N 3.35Å; S287-F289 VanDerWaalsContact C-N 3.33Å; S287-F289 PolarHBondContact O-N 3.01Å; S287-V290 PolarHBondContact O-N 2.95Å; S287-E291 WeakPolarHBondContact O-CB 3.21Å; S287-E291 WeakPolarHBondContact O-CG 3.38Å; S287-E291 PolarHBondContact O-N 2.86Å
288E90.6Very high86.2Confident89 Ų8962.8 Ų62.842%0.41634%0.341SS..Hα-helixtrans-59.4-44.2176.1-70.9177.2178.700111.7T275 V284 V290 E291 H292T275-E288 HydrophobicContact CG2-CG 4.17Å; T275-E288 WeakPolarHBondContact CG2-OE1 3.3Å; V284-E288 HydrophobicContact CG1-CG 4.41Å; V284-E288 WeakPolarHBondContact O-CG 3.19Å; V284-E288 PolarHBondContact O-N 2.93Å; E288-V290 PolarHBondContact O-N 3.41Å; E288-E291 PolarHBondContact O-N 2.85Å; E288-H292 WeakPolarHBondContact O-CB 3.41Å; E288-H292 PolarHBondContact O-N 2.97Å
289F92.5Very high87.4Confident111 Ų11160.6 Ų60.649%0.48734%0.343SS..Hα-helixtrans-59.3-47.3176.7176.3-102.2000111.9L213 A285 S287 H292 L293L213-F289 HydrophobicContact CD1-CD1 3.6Å; L213-F289 HydrophobicContact CD1-CE1 3.95Å; A285-F289 VanDerWaalsContact O-CB 3.25Å; A285-F289 WeakPolarHBondContact O-CB 3.46Å; A285-F289 PolarHBondContact O-N 2.73Å; S287-F289 VanDerWaalsContact C-N 3.33Å; S287-F289 PolarHBondContact O-N 3.01Å; F289-H292 PolarHBondContact O-N 2.87Å; F289-L293 HydrophobicContact CE1-CD2 3.72Å; F289-L293 HydrophobicContact CZ-CD2 3.79Å; F289-L293 WeakPolarHBondContact O-CB 3.48Å; F289-L293 PolarHBondContact O-N 3Å
290V92.1Very high88.3Confident2 Ų258.9 Ų58.91%0.01233%0.325CS..Hα-helixtrans-67-41.5179.5169.10000111.6T206 A210 L213 S286 S287 E288 L293 Q294 V301T206-V290 HydrophobicContact CG2-CG1 4.08Å; A210-V290 HydrophobicContact CB-CB 4.4Å; A210-V290 HydrophobicContact CB-CG2 4.23Å; L213-V290 HydrophobicContact CD1-CG2 3.67Å; S286-V290 WeakPolarHBondContact O-CB 3.37Å; S286-V290 VanDerWaalsContact O-CG2 3.29Å; S286-V290 WeakPolarHBondContact O-CG2 3.23Å; S286-V290 PolarHBondContact O-N 3.22Å; S287-V290 PolarHBondContact O-N 2.95Å; E288-V290 PolarHBondContact O-N 3.41Å; V290-L293 PolarHBondContact O-N 3.5Å; V290-Q294 VanDerWaalsContact O-CB 3.24Å; V290-Q294 WeakPolarHBondContact O-CB 3.46Å; V290-Q294 PolarHBondContact O-N 3.01Å; V290-V301 HydrophobicContact CG1-CG2 3.73Å
291E88.3Confident88.5Confident98 Ų9854.5 Ų54.546%0.45829%0.289SS..Hα-helixtrans-61.3-46.4177.5-76.1-177.4169.100111.1T206 S287 E288 Q294 T295T206-E291 HydrophobicContact CG2-CG 4.23Å; S287-E291 WeakPolarHBondContact O-CB 3.21Å; S287-E291 WeakPolarHBondContact O-CG 3.38Å; S287-E291 PolarHBondContact O-N 2.86Å; E288-E291 PolarHBondContact O-N 2.85Å; E291-Q294 PolarHBondContact O-N 3.01Å; E291-T295 WeakPolarHBondContact O-CG2 3.29Å
292H88.1Confident88.1Confident117 Ų11758.1 Ų58.154%0.54231%0.311SS..Hα-helixtrans-62.9-50.7176.1-176.866.1000111.6E288 F289 Q294 T295E288-H292 WeakPolarHBondContact O-CB 3.41Å; E288-H292 PolarHBondContact O-N 2.97Å; F289-H292 PolarHBondContact O-N 2.87Å; H292-Q294 PolarHBondContact O-N 2.69Å; H292-T295 WeakPolarHBondContact O-CB 3.45Å; H292-T295 PolarHBondContact O-N 2.6Å; H292-T295 PolarHBondContact O-OG1 3.05Å
293L87Confident87.8Confident38 Ų3859.2 Ų59.220%0.19932%0.32CS..Hα-helixtrans-62.3-31.9-177.7-171.164.1000112.8F289 V290 T295 E296 F297 T300F289-L293 HydrophobicContact CE1-CD2 3.72Å; F289-L293 HydrophobicContact CZ-CD2 3.79Å; F289-L293 WeakPolarHBondContact O-CB 3.48Å; F289-L293 PolarHBondContact O-N 3Å; V290-L293 PolarHBondContact O-N 3.5Å; L293-T295 VanDerWaalsContact C-N 3.27Å; L293-T295 PolarHBondContact O-N 3.31Å; L293-E296 PolarHBondContact O-N 3.27Å; L293-F297 HydrophobicContact CD1-CD2 3.89Å; L293-F297 PolarHBondContact O-N 2.89Å; L293-T300 HydrophobicContact CD2-CG2 3.47Å; L293-T300 VanDerWaalsContact CD2-CG2 3.47Å; L293-T300 HydrophobicContact CG-CG2 4.01Å
294Q84.4Confident87.6Confident25 Ų2560 Ų6012%0.11733%0.325CS..Hα-helixtrans-69.2-25177.5-171.9-179.2-21.400112.5T206 V290 E291 H292 E296 V301T206-Q294 PolarHBondContact OG1-OE1 3.19Å; V290-Q294 VanDerWaalsContact O-CB 3.24Å; V290-Q294 WeakPolarHBondContact O-CB 3.46Å; V290-Q294 PolarHBondContact O-N 3.01Å; E291-Q294 PolarHBondContact O-N 3.01Å; H292-Q294 PolarHBondContact O-N 2.69Å; Q294-E296 VanDerWaalsContact C-N 3.34Å; Q294-V301 HydrophobicContact CB-CG2 4.31Å; Q294-V301 HydrophobicContact CG-CG2 4.2Å
295T81.2Confident87.5Confident94 Ų9459.5 Ų59.558%0.57732%0.321SS*.Hα-helixtrans-67.1-37.3175.6690000112E291 H292 L293E291-T295 WeakPolarHBondContact O-CG2 3.29Å; H292-T295 WeakPolarHBondContact O-CB 3.45Å; H292-T295 PolarHBondContact O-N 2.6Å; H292-T295 PolarHBondContact O-OG1 3.05Å; L293-T295 VanDerWaalsContact C-N 3.27Å; L293-T295 PolarHBondContact O-N 3.31Å
296E82Confident87.3Confident122 Ų12259.5 Ų59.557%0.5732%0.321SS*.Hα-helixtrans-86-41.9178.9-59.2-172.1164.800111.8L293 Q294L293-E296 PolarHBondContact O-N 3.27Å; Q294-E296 VanDerWaalsContact C-N 3.34Å
297F82.7Confident87.1Confident116 Ų11661.7 Ų61.751%0.50934%0.337SS..  trans-129.188.2-171.9-59-76.2000112L293 S299 T300L293-F297 HydrophobicContact CD1-CD2 3.89Å; L293-F297 PolarHBondContact O-N 2.89Å; F297-S299 PolarHBondContact O-N 2.91Å; F297-S299 VanDerWaalsContact O-N 3.11Å; F297-T300 WeakPolarHBondContact CB-OG1 3.46Å; F297-T300 WeakPolarHBondContact O-CB 3.39Å; F297-T300 PolarHBondContact O-N 3.28Å; F297-T300 PolarHBondContact O-OG1 3.01Å; F297-T300 VanDerWaalsContact O-OG1 3.08Å
298S79.5Confident87Confident16 Ų1659.6 Ų59.611%0.11232%0.322CS..THydrogen-bonded Turntrans-63.9-21.3-173.2840000115.3Q31 K33Q31-S298 VanDerWaalsContact CD-CB 3.48Å; Q31-S298 PolarHBondContact OE1-OG 2.97Å; K33-S298 PolarHBondContact NZ-OG 3.07Å
299S82.1Confident86.8Confident66 Ų6658 Ų5846%0.46232%0.321SS..THydrogen-bonded Turntrans-81.4-14.117651.70000114F297 V301 T302 T303F297-S299 PolarHBondContact O-N 2.91Å; F297-S299 VanDerWaalsContact O-N 3.11Å; S299-V301 PolarHBondContact O-N 3.28Å; S299-T302 PolarHBondContact O-N 3.46Å; S299-T302 PolarHBondContact O-OG1 3.49Å; S299-T303 PolarHBondContact O-N 2.83Å; S299-T303 PolarHBondContact O-OG1 3.07Å; S299-T303 VanDerWaalsContact O-OG1 3.07Å
300T84.1Confident86.5Confident31 Ų3160.7 Ų60.719%0.1933%0.332CS..Hα-helixtrans-61.6-44.2-170.1-60.90000112.8L293 F297 T302 T303 L304L293-T300 HydrophobicContact CD2-CG2 3.47Å; L293-T300 VanDerWaalsContact CD2-CG2 3.47Å; L293-T300 HydrophobicContact CG-CG2 4.01Å; F297-T300 WeakPolarHBondContact CB-OG1 3.46Å; F297-T300 WeakPolarHBondContact O-CB 3.39Å; F297-T300 PolarHBondContact O-N 3.28Å; F297-T300 PolarHBondContact O-OG1 3.01Å; F297-T300 VanDerWaalsContact O-OG1 3.08Å; T300-T302 VanDerWaalsContact C-N 3.34Å; T300-T302 PolarHBondContact O-N 2.91Å; T300-T303 PolarHBondContact O-N 3.47Å; T300-T303 VanDerWaalsContact O-N 3.16Å; T300-L304 HydrophobicContact CG2-CD1 3.95Å; T300-L304 HydrophobicContact CG2-CG 4.22Å; T300-L304 WeakPolarHBondContact O-CB 3.3Å; T300-L304 WeakPolarHBondContact O-CG 3.34Å; T300-L304 PolarHBondContact O-N 2.68Å
301V87.6Confident86Confident3 Ų364.7 Ų64.72%0.01835%0.35CS..Hα-helixtrans-58.6-44.8177.1160.60000111.7S205 S209 V290 Q294 S299 T303 L304 I305S205-V301 VanDerWaalsContact C-CG1 3.47Å; S205-V301 VanDerWaalsContact CB-CG1 3.45Å; S205-V301 WeakPolarHBondContact O-CG1 3.13Å; S205-V301 VanDerWaalsContact OG-CG1 3.23Å; S205-V301 WeakPolarHBondContact OG-CG1 3.49Å; S209-V301 WeakPolarHBondContact OG-CG1 3.3Å; S209-V301 PolarHBondContact OG-O 3.31Å; V290-V301 HydrophobicContact CG1-CG2 3.73Å; Q294-V301 HydrophobicContact CB-CG2 4.31Å; Q294-V301 HydrophobicContact CG-CG2 4.2Å; S299-V301 PolarHBondContact O-N 3.28Å; V301-T303 VanDerWaalsContact C-N 3.35Å; V301-T303 PolarHBondContact O-N 3.38Å; V301-L304 PolarHBondContact O-N 2.91Å; V301-I305 HydrophobicContact CG1-CD1 4.37Å; V301-I305 WeakPolarHBondContact O-CG1 3.47Å; V301-I305 PolarHBondContact O-N 2.94Å; V301-I305 VanDerWaalsContact O-N 3.11Å
302T85.8Confident85.2Confident86 Ų8668 Ų6853%0.52837%0.365SS..Hα-helixtrans-66.8-37.6177.250.80000112.3S299 T300 A306S299-T302 PolarHBondContact O-N 3.46Å; S299-T302 PolarHBondContact O-OG1 3.49Å; T300-T302 VanDerWaalsContact C-N 3.34Å; T300-T302 PolarHBondContact O-N 2.91Å; T302-A306 VanDerWaalsContact O-CB 3.28Å; T302-A306 WeakPolarHBondContact O-CB 3.46Å; T302-A306 PolarHBondContact O-N 2.89Å
303T89.2Confident84.1Confident79 Ų7965 Ų6549%0.48536%0.357SS..Hα-helixtrans-68-43.1177.3-57.70000111.5S299 T300 V301 A306 S307S299-T303 PolarHBondContact O-N 2.83Å; S299-T303 PolarHBondContact O-OG1 3.07Å; S299-T303 VanDerWaalsContact O-OG1 3.07Å; T300-T303 PolarHBondContact O-N 3.47Å; T300-T303 VanDerWaalsContact O-N 3.16Å; V301-T303 VanDerWaalsContact C-N 3.35Å; V301-T303 PolarHBondContact O-N 3.38Å; T303-A306 PolarHBondContact O-N 2.99Å; T303-S307 WeakPolarHBondContact O-CB 3.41Å; T303-S307 PolarHBondContact O-N 3.37Å; T303-S307 PolarHBondContact O-OG 2.79Å; T303-S307 VanDerWaalsContact O-OG 3.09Å
304L90Very high82.8Confident43 Ų4364.8 Ų64.823%0.22536%0.358CS..Hα-helixtrans-60.1-48.4177.4-78.9172.7000111.2L213 T300 V301 A306 S307 A308L213-L304 HydrophobicContact CD2-CD2 4.46Å; T300-L304 HydrophobicContact CG2-CD1 3.95Å; T300-L304 HydrophobicContact CG2-CG 4.22Å; T300-L304 WeakPolarHBondContact O-CB 3.3Å; T300-L304 WeakPolarHBondContact O-CG 3.34Å; T300-L304 PolarHBondContact O-N 2.68Å; V301-L304 PolarHBondContact O-N 2.91Å; L304-A306 PolarHBondContact O-N 3.01Å; L304-S307 PolarHBondContact O-N 3.28Å; L304-A308 VanDerWaalsContact O-CB 3.32Å; L304-A308 WeakPolarHBondContact O-CB 3.37Å; L304-A308 PolarHBondContact O-N 3.48Å
305I90.5Very high81.3Confident8 Ų868.2 Ų68.24%0.04138%0.377CS..Hα-helixtrans-62.9-43177-68.6174.5000111.2S205 L208 V301 S307 A308 S309S205-I305 WeakPolarHBondContact O-CD1 3.4Å; L208-I305 HydrophobicContact CB-CD1 4.26Å; V301-I305 HydrophobicContact CG1-CD1 4.37Å; V301-I305 WeakPolarHBondContact O-CG1 3.47Å; V301-I305 PolarHBondContact O-N 2.94Å; V301-I305 VanDerWaalsContact O-N 3.11Å; I305-S307 VanDerWaalsContact C-N 3.32Å; I305-S307 PolarHBondContact O-N 3.22Å; I305-A308 PolarHBondContact O-N 3.22Å; I305-S309 WeakPolarHBondContact O-CB 3.25Å; I305-S309 PolarHBondContact O-N 3.3Å; I305-S309 PolarHBondContact O-OG 3.1Å
306A88.7Confident79.9Confident51 Ų5169 Ų6942%0.42138%0.378SS..Hα-helixtrans-62.9-39.7178.400000111.9T302 T303 L304 S309T302-A306 VanDerWaalsContact O-CB 3.28Å; T302-A306 WeakPolarHBondContact O-CB 3.46Å; T302-A306 PolarHBondContact O-N 2.89Å; T303-A306 PolarHBondContact O-N 2.99Å; L304-A306 PolarHBondContact O-N 3.01Å; A306-S309 PolarHBondContact O-N 3.18Å
307S90.2Very high78.3Confident55 Ų5570.1 Ų70.139%0.38539%0.388SS..Hα-helixtrans-67.2-45.9174.7-66.50000111.9T303 L304 I305 S309 K310T303-S307 WeakPolarHBondContact O-CB 3.41Å; T303-S307 PolarHBondContact O-N 3.37Å; T303-S307 PolarHBondContact O-OG 2.79Å; T303-S307 VanDerWaalsContact O-OG 3.09Å; L304-S307 PolarHBondContact O-N 3.28Å; I305-S307 VanDerWaalsContact C-N 3.32Å; I305-S307 PolarHBondContact O-N 3.22Å; S307-S309 PolarHBondContact O-N 2.81Å; S307-K310 WeakPolarHBondContact O-CB 3.49Å; S307-K310 PolarHBondContact O-N 2.97Å
308A90.3Very high76.8Confident2 Ų270 Ų702%0.01739%0.391CS..Hα-helixtrans-61.7-32.4176.700000112.6V212 I224 V228 L304 I305 K310 F311V212-A308 HydrophobicContact CB-CB 4.46Å; V212-A308 HydrophobicContact CG1-CB 3.99Å; V212-A308 HydrophobicContact CG2-CB 3.54Å; I224-A308 HydrophobicContact CG2-CB 3.81Å; V228-A308 HydrophobicContact CG1-CB 4.49Å; V228-A308 HydrophobicContact CG2-CB 4.07Å; L304-A308 VanDerWaalsContact O-CB 3.32Å; L304-A308 WeakPolarHBondContact O-CB 3.37Å; L304-A308 PolarHBondContact O-N 3.48Å; I305-A308 PolarHBondContact O-N 3.22Å; A308-K310 PolarHBondContact O-N 3.01Å; A308-F311 WeakPolarHBondContact O-CB 3.42Å; A308-F311 PolarHBondContact O-N 3.05Å; A308-F311 VanDerWaalsContact O-N 3.13Å
309S86.8Confident75.5Confident55 Ų5572.5 Ų72.539%0.38541%0.414SS..THydrogen-bonded Turntrans-69.3-14.3176.6-53.90000113.5R245 I305 A306 S307R245-S309 PolarHBondContact NH2-OG 3.29Å; I305-S309 WeakPolarHBondContact O-CB 3.25Å; I305-S309 PolarHBondContact O-N 3.3Å; I305-S309 PolarHBondContact O-OG 3.1Å; A306-S309 PolarHBondContact O-N 3.18Å; S307-S309 PolarHBondContact O-N 2.81Å
310K86.5Confident74.3Confident167 Ų16773 Ų7373%0.72643%0.428SS*.THydrogen-bonded Turntrans-87.7-7.9174.8-62.2174-175.8178.60112.5S307 A308 Q312S307-K310 WeakPolarHBondContact O-CB 3.49Å; S307-K310 PolarHBondContact O-N 2.97Å; A308-K310 PolarHBondContact O-N 3.01Å; K310-Q312 PolarHBondContact O-N 3.24Å
311F82Confident73.5Confident87 Ų8776.4 Ų76.438%0.38245%0.446SS..SBendtrans-62.8130.9173.2-69.75.3000107.4V216 I224 A225 A308 S313V216-F311 HydrophobicContact CG2-CE2 4.43Å; I224-F311 HydrophobicContact CB-CD2 3.93Å; I224-F311 HydrophobicContact CB-CE2 4.4Å; I224-F311 HydrophobicContact CD1-CD2 4.15Å; I224-F311 HydrophobicContact CD1-CE2 3.83Å; I224-F311 HydrophobicContact CG2-CD2 3.79Å; I224-F311 HydrophobicContact CG2-CE2 4.1Å; A225-F311 HydrophobicContact CB-CB 4.38Å; A225-F311 WeakPolarHBondContact CB-O 3.28Å; A308-F311 WeakPolarHBondContact O-CB 3.42Å; A308-F311 PolarHBondContact O-N 3.05Å; A308-F311 VanDerWaalsContact O-N 3.13Å; F311-S313 PolarHBondContact O-N 3.49Å; F311-S313 VanDerWaalsContact O-N 3.13Å
312Q70.2Confident72.9Confident166 Ų16677.7 Ų77.778%0.77645%0.452SS*.PPolyproline II helixtrans-66.2117.2179.2-65.5179.74.400107.5K310K310-Q312 PolarHBondContact O-N 3.24Å
313S65.3Low72.8Confident54 Ų5475.4 Ų75.438%0.37844%0.438SS..PPolyproline II helixtrans-64.6144.4157.547.10000107.6F311 N315F311-S313 PolarHBondContact O-N 3.49Å; F311-S313 VanDerWaalsContact O-N 3.13Å; S313-N315 PolarHBondContact O-N 2.98Å
314T60.6Low72.8Confident35 Ų3573 Ų7322%0.21542%0.424CS..  trans-55.4110.2-177.6-200000108.9N316 L322 N331T314-N316 PolarHBondContact O-N 2.91Å; T314-L322 HydrophobicContact CG2-CD2 3.57Å; T314-N331 PolarHBondContact OG1-O 3.47Å
315N51.6Low72.9Confident97 Ų9771 Ų7152%0.51941%0.414SS..  trans-65.5125.5-165.7-114-21.9000111S313 N317 L318S313-N315 PolarHBondContact O-N 2.98Å; N315-N317 PolarHBondContact O-N 3.35Å; N315-L318 PolarHBondContact O-N 2.9Å
316N52.8Low72.9Confident110 Ų11071.2 Ų71.259%0.58842%0.416SS*.G310 helixtrans-60.5-5.6172.2-73.7-7000113.9T314 L318 A319T314-N316 PolarHBondContact O-N 2.91Å; N316-L318 PolarHBondContact O-N 3.14Å; N316-A319 VanDerWaalsContact O-CA 3.31Å; N316-A319 WeakPolarHBondContact O-CA 3.32Å; N316-A319 WeakPolarHBondContact O-CB 3.35Å; N316-A319 PolarHBondContact O-N 3.06Å
317N47.3Very low73.1Confident146 Ų14668.9 Ų68.978%0.78140%0.397SS*.G310 helixtrans-66.1-19.1178-67.6-10.9000112.7N315N315-N317 PolarHBondContact O-N 3.35Å
318L51Low73.2Confident112 Ų11266.4 Ų66.459%0.58638%0.38SS*.G310 helixtrans-101.335167.3-70160.4000111N315 N316 G320 D321N315-L318 PolarHBondContact O-N 2.9Å; N316-L318 PolarHBondContact O-N 3.14Å; L318-G320 PolarHBondContact O-N 3.44Å; L318-D321 PolarHBondContact O-N 2.87Å
319A52.6Low73.3Confident70 Ų7066.4 Ų66.458%0.57938%0.379SS*.THydrogen-bonded Turntrans-47.7-23.9-170.700000115.6N316 D321N316-A319 VanDerWaalsContact O-CA 3.31Å; N316-A319 WeakPolarHBondContact O-CA 3.32Å; N316-A319 WeakPolarHBondContact O-CB 3.35Å; N316-A319 PolarHBondContact O-N 3.06Å; A319-D321 VanDerWaalsContact C-N 3.28Å; A319-D321 PolarHBondContact O-N 3.44Å
320G57.5Low73.4Confident75 Ų7563.9 Ų63.977%0.77336%0.362SS*.THydrogen-bonded Turntrans-61.3-30.9177.400000114.5L318L318-G320 PolarHBondContact O-N 3.44Å
321D66.2Low73.4Confident103 Ų10358.7 Ų58.755%0.55134%0.342SS*.SBendtrans-115.63.4-167.1-62.4-29000114.5L318 A319 V323 A334L318-D321 PolarHBondContact O-N 2.87Å; A319-D321 VanDerWaalsContact C-N 3.28Å; A319-D321 PolarHBondContact O-N 3.44Å; D321-V323 PolarHBondContact O-N 3.1Å; D321-A334 PolarHBondContact O-N 2.96Å
322L75.1Confident73.4Confident31 Ų3155 Ų5516%0.16233%0.326CS..EExtended strand (participates in β ladder)trans-80.6118.5-179.1-74.1169.5000110.9T314 N331T314-L322 HydrophobicContact CG2-CD2 3.57Å; L322-N331 HydrophobicContact CD2-CB 4.47Å
323V84Confident73.9Confident38 Ų3849.5 Ų49.523%0.2330%0.302CS..EExtended strand (participates in β ladder)trans-118.6135179.1179.50000108.9D321 T332 A334 L337D321-V323 PolarHBondContact O-N 3.1Å; V323-T332 PolarHBondContact N-O 3.28Å; V323-T332 PolarHBondContact O-N 2.95Å; V323-A334 HydrophobicContact CG2-CB 3.91Å; V323-L337 HydrophobicContact CB-CD1 3.49Å; V323-L337 VanDerWaalsContact CB-CD1 3.49Å; V323-L337 HydrophobicContact CG1-CD1 3.39Å
324S89.4Confident74.6Confident28 Ų2848.3 Ų48.320%0.19630%0.296CS..EExtended strand (participates in β ladder)trans-80133.9179.265.10000111.5S326 S330S324-S326 PolarHBondContact O-N 2.96Å; S324-S330 WeakPolarHBondContact CA-O 3.21Å
325C92.1Very high75.6Confident0 Ų055.5 Ų55.50%033%0.327CS..  trans-55.9133.1170.9174.50000111.7L327 S329 S330 R346 C348 K375C325-L327 VanDerWaalsContact C-N 3.25Å; C325-L327 PolarHBondContact O-N 3.18Å; C325-S329 WeakPolarHBondContact O-CA 3.34Å; C325-S329 PolarHBondContact O-N 2.76Å; C325-S330 PolarHBondContact N-O 3.29Å; C325-R346 WeakPolarHBondContact CA-O 3.5Å; C325-C348 HydrophobicContact CB-CB 4.15Å; C325-C348 PolarHBondContact SG-N 3.23Å; C325-C348 VanDerWaalsContact SG-N 3.4Å; C325-K375 PolarHBondContact O-NZ 2.7Å
326S91.6Very high77Confident14 Ų1455.9 Ų55.910%0.09833%0.329CS..THydrogen-bonded Turntrans-62-31.7-178.6-65.20000113S324 G345 R346 K375S324-S326 PolarHBondContact O-N 2.96Å; S326-G345 VanDerWaalsContact OG-CA 3.28Å; S326-G345 WeakPolarHBondContact OG-CA 3.42Å; S326-R346 PolarHBondContact N-O 2.97Å; S326-R346 PolarHBondContact OG-N 3.24Å; S326-K375 PolarHBondContact O-NZ 3.44Å
327L92.5Very high78.4Confident1 Ų151.4 Ų51.41%0.00530%0.304CS..THydrogen-bonded Turntrans-88-56-179.3-17658.7000113.6R181 L182 W235 C325 F347 C351 M364R181-L327 HydrophobicContact CB-CG 4.42Å; L182-L327 HydrophobicContact CD2-CD1 4.36Å; W235-L327 WeakPolarHBondContact CH2-O 3.49Å; C325-L327 VanDerWaalsContact C-N 3.25Å; C325-L327 PolarHBondContact O-N 3.18Å; L327-F347 HydrophobicContact CB-CD1 4.18Å; L327-F347 HydrophobicContact CB-CE1 4.33Å; L327-C351 HydrophobicContact CB-CB 4.27Å; L327-C351 HydrophobicContact CD2-CB 4.09Å; L327-M364 HydrophobicContact CD2-CE 4.31Å
328C92.8Very high80.2Confident4 Ų448.2 Ų48.23%0.02728%0.284CS..THydrogen-bonded Turntrans-102.4-0.2-173.170.80000114.8S330 C348C328-S330 PolarHBondContact O-N 2.9Å; C328-S330 PolarHBondContact SG-OG 3.47Å; C328-C348 VanDerWaalsContact SG-SG 3.67Å
329S92.4Very high81.7Confident2 Ų248.1 Ų48.11%0.01428%0.284CS..  trans59.911.6179.9-48.60000115.4R234 W235 C325 N331 K375R234-S329 WeakPolarHBondContact CB-O 3.16Å; R234-S329 VanDerWaalsContact O-CB 3.26Å; R234-S329 WeakPolarHBondContact O-CB 3.16Å; W235-S329 WeakPolarHBondContact CH2-OG 3.47Å; W235-S329 WeakPolarHBondContact CZ3-OG 3.34Å; C325-S329 WeakPolarHBondContact O-CA 3.34Å; C325-S329 PolarHBondContact O-N 2.76Å; S329-N331 PolarHBondContact O-N 3.05Å; S329-K375 WeakPolarHBondContact OG-CE 3.33Å; S329-K375 PolarHBondContact OG-NZ 2.83Å
330S89Confident83.2Confident2 Ų246.2 Ų46.21%0.01426%0.264CS..  trans-70.3131.4176.9-57.50000110.5Q223 R234 S324 C325 C328Q223-S330 VanDerWaalsContact CG-CB 3.46Å; Q223-S330 WeakPolarHBondContact CG-OG 3.45Å; R234-S330 WeakPolarHBondContact CD-OG 3.43Å; R234-S330 PolarHBondContact NH1-OG 2.97Å; S324-S330 WeakPolarHBondContact CA-O 3.21Å; C325-S330 PolarHBondContact N-O 3.29Å; C328-S330 PolarHBondContact O-N 2.9Å; C328-S330 PolarHBondContact SG-OG 3.47Å
331N85.9Confident83.9Confident58 Ų5850.9 Ų50.931%0.3127%0.271SS..EExtended strand (participates in β ladder)trans-75.6131.3177.6-67.3-23.1000109.7T314 L322 S329T314-N331 PolarHBondContact OG1-O 3.47Å; L322-N331 HydrophobicContact CD2-CB 4.47Å; S329-N331 PolarHBondContact O-N 3.05Å
332T81.5Confident84.3Confident8 Ų850.6 Ų50.65%0.04927%0.273CS..EExtended strand (participates in β ladder)trans-145.8161.5174.6-174.90000109V323 A334 L337V323-T332 PolarHBondContact N-O 3.28Å; V323-T332 PolarHBondContact O-N 2.95Å; T332-A334 PolarHBondContact O-N 3.25Å; T332-L337 HydrophobicContact CG2-CD1 4.16Å; T332-L337 HydrophobicContact CG2-CD2 3.22Å; T332-L337 HydrophobicContact CG2-CG 3.44Å; T332-L337 VanDerWaalsContact CG2-CG 3.44Å
333N79.9Confident84.6Confident51 Ų5150 Ų5027%0.27327%0.269SS..EExtended strand (participates in β ladder)trans-58.5138.2173-63.4-13.5000109.4E335 L336N333-E335 PolarHBondContact O-N 3.07Å; N333-E335 VanDerWaalsContact O-N 3.13Å; N333-L336 HydrophobicContact CB-CD1 4.23Å; N333-L336 HydrophobicContact CB-CG 4.3Å; N333-L336 PolarHBondContact O-N 2.8Å
334A80.4Confident84.4Confident29 Ų2955 Ų5524%0.2429%0.29CS..G310 helixtrans-50.4-37.9-179.700000113.2D321 V323 T332 L336 L337D321-A334 PolarHBondContact O-N 2.96Å; V323-A334 HydrophobicContact CG2-CB 3.91Å; T332-A334 PolarHBondContact O-N 3.25Å; A334-L336 VanDerWaalsContact C-N 3.29Å; A334-L336 PolarHBondContact O-N 2.82Å; A334-L337 PolarHBondContact O-N 3.32Å
335E81.3Confident84.2Confident186 Ų18654.7 Ų54.787%0.86929%0.291SS*.G310 helixtrans-67.7-24.1179.3-60178.7169.900114.1N333N333-E335 PolarHBondContact O-N 3.07Å; N333-E335 VanDerWaalsContact O-N 3.13Å
336L80.8Confident84.1Confident106 Ų10659.2 Ų59.256%0.55531%0.308SS*.G310 helixtrans-90.6-6.6179.3-64.3176.6000112.4N333 A334N333-L336 HydrophobicContact CB-CD1 4.23Å; N333-L336 HydrophobicContact CB-CG 4.3Å; N333-L336 PolarHBondContact O-N 2.8Å; A334-L336 VanDerWaalsContact C-N 3.29Å; A334-L336 PolarHBondContact O-N 2.82Å
337L83.5Confident84.1Confident15 Ų1558.6 Ų58.68%0.07930%0.303CS..PPolyproline II helixtrans-77.9138.7171.6-69.3169.4000109.8V323 T332 A334 R346 F347V323-L337 HydrophobicContact CB-CD1 3.49Å; V323-L337 VanDerWaalsContact CB-CD1 3.49Å; V323-L337 HydrophobicContact CG1-CD1 3.39Å; T332-L337 HydrophobicContact CG2-CD1 4.16Å; T332-L337 HydrophobicContact CG2-CD2 3.22Å; T332-L337 HydrophobicContact CG2-CG 3.44Å; T332-L337 VanDerWaalsContact CG2-CG 3.44Å; A334-L337 PolarHBondContact O-N 3.32Å; L337-R346 HydrophobicContact CB-CB 3.88Å; L337-R346 HydrophobicContact CD1-CB 3.68Å; L337-R346 HydrophobicContact CD2-CB 4.4Å; L337-R346 HydrophobicContact CG-CB 4.19Å; L337-F347 WeakPolarHBondContact CA-O 3.38Å; L337-F347 WeakPolarHBondContact CD2-O 3.39Å
338K85Confident84.1Confident80 Ų8058.6 Ų58.635%0.34830%0.304SS..EExtended strand (participates in β ladder)trans-95.7129.8171.5-66.2-174.6174.4-174.80109.4F347 A352K338-F347 PolarHBondContact N-O 3.06Å; K338-F347 PolarHBondContact O-N 3.25Å; K338-A352 HydrophobicContact CB-CB 3.99Å; K338-A352 HydrophobicContact CD-CB 3.72Å; K338-A352 HydrophobicContact CG-CB 4.36Å
339D83Confident84.1Confident110 Ų11065.2 Ų65.259%0.58833%0.329SS*.EExtended strand (participates in β ladder)trans-84.3133.5165.2-61.2-24.6000108.1R346D339-R346 VanDerWaalsContact OD1-CD 3.24Å; D339-R346 WeakPolarHBondContact OD1-CD 3.42Å; D339-R346 WeakPolarHBondContact OD1-CG 3.34Å
340I82.8Confident84.1Confident30 Ų3065.3 Ų65.315%0.15433%0.331CS..  trans-115.3108.9172.8-55.2176.2000104.8T342 F343 F347 A352 I355I340-T342 PolarHBondContact O-N 2.64Å; I340-F343 HydrophobicContact CB-CD2 3.8Å; I340-F343 HydrophobicContact CG2-CD2 3.48Å; I340-F343 VanDerWaalsContact CG2-CD2 3.48Å; I340-F343 HydrophobicContact CG2-CE2 3.81Å; I340-F343 PolarHBondContact O-N 3.34Å; I340-F347 HydrophobicContact CB-CD2 4.46Å; I340-F347 HydrophobicContact CB-CE2 4.31Å; I340-F347 HydrophobicContact CD1-CD2 3.77Å; I340-F347 HydrophobicContact CD1-CE2 4.11Å; I340-F347 HydrophobicContact CD1-CG 4.44Å; I340-F347 HydrophobicContact CG1-CD2 3.93Å; I340-F347 HydrophobicContact CG1-CE2 4.25Å; I340-A352 HydrophobicContact CD1-CB 4.23Å; I340-I355 HydrophobicContact CD1-CB 3.76Å; I340-I355 HydrophobicContact CD1-CD1 3.95Å; I340-I355 HydrophobicContact CD1-CG1 4.48Å; I340-I355 HydrophobicContact CD1-CG2 3.55Å
341N72.8Confident84.3Confident172 Ų17265.2 Ų65.292%0.9233%0.33SS*.THydrogen-bonded Turntrans-48.8-26.7-166.7-68.5-18.1000115.4F343N341-F343 VanDerWaalsContact C-N 3.33Å
342T74.7Confident84.7Confident98 Ų9862.5 Ų62.560%0.60132%0.315SS*.THydrogen-bonded Turntrans-84.70.1-179.948.40000114.5I340I340-T342 PolarHBondContact O-N 2.64Å
343F80.7Confident85.3Confident18 Ų1863 Ų638%0.07932%0.322CS..SBendtrans-127.1136-172.5-67-97.6000112.2I340 N341 G345 F347 I355 K361 M364 A365 V368I340-F343 HydrophobicContact CB-CD2 3.8Å; I340-F343 HydrophobicContact CG2-CD2 3.48Å; I340-F343 VanDerWaalsContact CG2-CD2 3.48Å; I340-F343 HydrophobicContact CG2-CE2 3.81Å; I340-F343 PolarHBondContact O-N 3.34Å; N341-F343 VanDerWaalsContact C-N 3.33Å; F343-G345 VanDerWaalsContact C-N 3.31Å; F343-G345 PolarHBondContact O-N 3.36Å; F343-F347 HydrophobicContact CB-CE2 3.75Å; F343-F347 HydrophobicContact CB-CZ 3.82Å; F343-F347 HydrophobicContact CD1-CZ 4.21Å; F343-F347 HydrophobicContact CG-CE2 4.22Å; F343-F347 HydrophobicContact CG-CZ 4.14Å; F343-I355 HydrophobicContact CD2-CG2 4.3Å; F343-I355 HydrophobicContact CE1-CG2 4.22Å; F343-I355 HydrophobicContact CE2-CG2 3.57Å; F343-I355 HydrophobicContact CZ-CG2 3.55Å; F343-K361 HydrophobicContact CE2-CD 4.46Å; F343-K361 HydrophobicContact CZ-CB 4.31Å; F343-K361 HydrophobicContact CZ-CD 4.4Å; F343-K361 WeakPolarHBondContact CZ-O 3.32Å; F343-M364 HydrophobicContact CE1-CB 3.56Å; F343-M364 HydrophobicContact CZ-CB 3.87Å; F343-A365 HydrophobicContact CD1-CB 3.88Å; F343-A365 VanDerWaalsContact CE1-CA 3.46Å; F343-A365 HydrophobicContact CE1-CB 3.81Å; F343-A365 VanDerWaalsContact CE1-N 3.26Å; F343-A365 HydrophobicContact CZ-CB 4.49Å; F343-V368 HydrophobicContact CD1-CB 4.31Å; F343-V368 HydrophobicContact CD1-CG2 4.06Å
344E80.8Confident85.9Confident144 Ų14460.8 Ų60.867%0.67331%0.31SS*.SBendtrans-75.282167.8-66-177.5171.200109.7V368 V372E344-V368 WeakPolarHBondContact O-CG1 3.38Å; E344-V372 WeakPolarHBondContact O-CG2 3.26Å
345G83.7Confident86.6Confident21 Ų2159.4 Ų59.422%0.21630%0.299CS..SBendtrans161.9170.217800000114.9S326 F343 F347S326-G345 VanDerWaalsContact OG-CA 3.28Å; S326-G345 WeakPolarHBondContact OG-CA 3.42Å; F343-G345 VanDerWaalsContact C-N 3.31Å; F343-G345 PolarHBondContact O-N 3.36Å; G345-F347 WeakPolarHBondContact O-CE2 3.41Å
346R90.2Very high87.2Confident95 Ų9555.8 Ų55.836%0.35828%0.282SS..EExtended strand (participates in β ladder)trans-120.7134-177.8-60.5-154.8-81.8178.2-13.5109.6C325 S326 L337 D339C325-R346 WeakPolarHBondContact CA-O 3.5Å; S326-R346 PolarHBondContact N-O 2.97Å; S326-R346 PolarHBondContact OG-N 3.24Å; L337-R346 HydrophobicContact CB-CB 3.88Å; L337-R346 HydrophobicContact CD1-CB 3.68Å; L337-R346 HydrophobicContact CD2-CB 4.4Å; L337-R346 HydrophobicContact CG-CB 4.19Å; D339-R346 VanDerWaalsContact OD1-CD 3.24Å; D339-R346 WeakPolarHBondContact OD1-CD 3.42Å; D339-R346 WeakPolarHBondContact OD1-CG 3.34Å
347F92.9Very high87.9Confident0 Ų054.7 Ų54.70%027%0.274CS..EExtended strand (participates in β ladder)trans-120.9139.5-169.3-53.8-82.1000112.1L327 L337 K338 I340 F343 G345 C351 A352 I355 V368L327-F347 HydrophobicContact CB-CD1 4.18Å; L327-F347 HydrophobicContact CB-CE1 4.33Å; L337-F347 WeakPolarHBondContact CA-O 3.38Å; L337-F347 WeakPolarHBondContact CD2-O 3.39Å; K338-F347 PolarHBondContact N-O 3.06Å; K338-F347 PolarHBondContact O-N 3.25Å; I340-F347 HydrophobicContact CB-CD2 4.46Å; I340-F347 HydrophobicContact CB-CE2 4.31Å; I340-F347 HydrophobicContact CD1-CD2 3.77Å; I340-F347 HydrophobicContact CD1-CE2 4.11Å; I340-F347 HydrophobicContact CD1-CG 4.44Å; I340-F347 HydrophobicContact CG1-CD2 3.93Å; I340-F347 HydrophobicContact CG1-CE2 4.25Å; F343-F347 HydrophobicContact CB-CE2 3.75Å; F343-F347 HydrophobicContact CB-CZ 3.82Å; F343-F347 HydrophobicContact CD1-CZ 4.21Å; F343-F347 HydrophobicContact CG-CE2 4.22Å; F343-F347 HydrophobicContact CG-CZ 4.14Å; G345-F347 WeakPolarHBondContact O-CE2 3.41Å; F347-C351 HydrophobicContact CB-CB 4.24Å; F347-A352 HydrophobicContact CB-CB 4.12Å; F347-I355 HydrophobicContact CB-CD1 4.49Å; F347-I355 HydrophobicContact CD1-CD1 3.37Å; F347-I355 HydrophobicContact CD2-CD1 4.02Å; F347-I355 HydrophobicContact CE1-CD1 3.38Å; F347-I355 HydrophobicContact CE2-CD1 4.03Å; F347-I355 HydrophobicContact CG-CD1 3.69Å; F347-I355 HydrophobicContact CZ-CD1 3.71Å; F347-V368 HydrophobicContact CE1-CG1 4.12Å; F347-V368 HydrophobicContact CE1-CG2 3.82Å; F347-V368 HydrophobicContact CZ-CG1 3.87Å; F347-V368 HydrophobicContact CZ-CG2 3.94Å
348C92Very high88.4Confident2 Ų254 Ų541%0.01427%0.27CS..  trans-66.1158.9168.572.60000110.2Q223 C325 C328 G350 C351 A352Q223-C348 PolarHBondContact NE2-SG 3.1Å; C325-C348 HydrophobicContact CB-CB 4.15Å; C325-C348 PolarHBondContact SG-N 3.23Å; C325-C348 VanDerWaalsContact SG-N 3.4Å; C328-C348 VanDerWaalsContact SG-SG 3.67Å; C348-G350 VanDerWaalsContact C-N 3.29Å; C348-G350 PolarHBondContact O-N 3.29Å; C348-G350 VanDerWaalsContact O-N 3.15Å; C348-C351 PolarHBondContact O-N 2.76Å; C348-A352 PolarHBondContact O-N 3.4Å
349Y91.8Very high88.9Confident142 Ų14255.8 Ų55.856%0.55728%0.284SS*.Hα-helixtrans-43.7-51.9-179.7179.8-92.7000113.6G219 C351 A352 G353G219-Y349 WeakPolarHBondContact O-CD1 3.26Å; Y349-C351 PolarHBondContact O-N 2.9Å; Y349-A352 PolarHBondContact O-N 2.91Å; Y349-G353 PolarHBondContact O-N 3.27Å
350G92.4Very high89.5Confident5 Ų551.6 Ų51.65%0.05227%0.265CS..Hα-helixtrans-65.4-36.3-178.600000113.9R220 C348 I354R220-G350 PolarHBondContact NH2-O 2.94Å; C348-G350 VanDerWaalsContact C-N 3.29Å; C348-G350 PolarHBondContact O-N 3.29Å; C348-G350 VanDerWaalsContact O-N 3.15Å; G350-I354 WeakPolarHBondContact O-CG1 3.45Å; G350-I354 PolarHBondContact O-N 3.46Å
351C94.3Very high90Very high0 Ų053.4 Ų53.40%027%0.271CS..Hα-helixtrans-74.5-37.9177.3-75.50000111.8L327 F347 C348 Y349 G353 I354 I355L327-C351 HydrophobicContact CB-CB 4.27Å; L327-C351 HydrophobicContact CD2-CB 4.09Å; F347-C351 HydrophobicContact CB-CB 4.24Å; C348-C351 PolarHBondContact O-N 2.76Å; Y349-C351 PolarHBondContact O-N 2.9Å; C351-G353 VanDerWaalsContact C-N 3.35Å; C351-I354 PolarHBondContact O-N 3.15Å; C351-I355 VanDerWaalsContact O-CG1 3.3Å; C351-I355 WeakPolarHBondContact O-CG1 3.18Å; C351-I355 PolarHBondContact O-N 3.21Å
352A93.9Very high91Very high0 Ų053.4 Ų53.40%027%0.266CS..Hα-helixtrans-60.7-45.4173.600000111.4K338 I340 F347 C348 Y349 I354 I355 E356K338-A352 HydrophobicContact CB-CB 3.99Å; K338-A352 HydrophobicContact CD-CB 3.72Å; K338-A352 HydrophobicContact CG-CB 4.36Å; I340-A352 HydrophobicContact CD1-CB 4.23Å; F347-A352 HydrophobicContact CB-CB 4.12Å; C348-A352 PolarHBondContact O-N 3.4Å; Y349-A352 PolarHBondContact O-N 2.91Å; A352-I354 VanDerWaalsContact C-N 3.27Å; A352-I354 PolarHBondContact O-N 3.11Å; A352-I355 PolarHBondContact O-N 3.43Å; A352-E356 WeakPolarHBondContact O-CG 3.3Å; A352-E356 PolarHBondContact O-N 3.06Å
353G93.4Very high92Very high18 Ų1850.1 Ų50.119%0.18624%0.244CC..Hα-helixtrans-62.3-29.7177.600000114.1Y349 C351 Q357Y349-G353 PolarHBondContact O-N 3.27Å; C351-G353 VanDerWaalsContact C-N 3.35Å; G353-Q357 WeakPolarHBondContact O-CG 3.24Å; G353-Q357 PolarHBondContact O-NE2 3.4Å
354I94.1Very high92.7Very high5 Ų549.3 Ų49.33%0.02624%0.241CC..Hα-helixtrans-70-50.6169.6-69.3173.2000110.3V174 E177 L178 G350 C351 A352 E356 Q357 V358V174-I354 HydrophobicContact CG1-CG2 4.16Å; E177-I354 HydrophobicContact CB-CD1 3.88Å; E177-I354 HydrophobicContact CG-CD1 3.27Å; E177-I354 HydrophobicContact CG-CG1 4.22Å; L178-I354 HydrophobicContact CB-CG2 4.13Å; L178-I354 HydrophobicContact CD1-CG2 4.14Å; G350-I354 WeakPolarHBondContact O-CG1 3.45Å; G350-I354 PolarHBondContact O-N 3.46Å; C351-I354 PolarHBondContact O-N 3.15Å; A352-I354 VanDerWaalsContact C-N 3.27Å; A352-I354 PolarHBondContact O-N 3.11Å; I354-E356 PolarHBondContact O-N 3.13Å; I354-Q357 CarbonylContact O-C 3.45Å; I354-Q357 WeakPolarHBondContact O-CA 3.38Å; I354-Q357 PolarHBondContact O-N 3.4Å; I354-V358 HydrophobicContact CG2-CG2 4.13Å; I354-V358 WeakPolarHBondContact O-CG2 3.4Å; I354-V358 PolarHBondContact O-N 3.15Å
355I93.9Very high93.3Very high1 Ų143.7 Ų43.71%0.00522%0.219CC..Hα-helixtrans-59.2-39-175.2-68.8163.2000110.2I340 F343 F347 C351 A352 Q357 V358 K361 M364I340-I355 HydrophobicContact CD1-CB 3.76Å; I340-I355 HydrophobicContact CD1-CD1 3.95Å; I340-I355 HydrophobicContact CD1-CG1 4.48Å; I340-I355 HydrophobicContact CD1-CG2 3.55Å; F343-I355 HydrophobicContact CD2-CG2 4.3Å; F343-I355 HydrophobicContact CE1-CG2 4.22Å; F343-I355 HydrophobicContact CE2-CG2 3.57Å; F343-I355 HydrophobicContact CZ-CG2 3.55Å; F347-I355 HydrophobicContact CB-CD1 4.49Å; F347-I355 HydrophobicContact CD1-CD1 3.37Å; F347-I355 HydrophobicContact CD2-CD1 4.02Å; F347-I355 HydrophobicContact CE1-CD1 3.38Å; F347-I355 HydrophobicContact CE2-CD1 4.03Å; F347-I355 HydrophobicContact CG-CD1 3.69Å; F347-I355 HydrophobicContact CZ-CD1 3.71Å; C351-I355 VanDerWaalsContact O-CG1 3.3Å; C351-I355 WeakPolarHBondContact O-CG1 3.18Å; C351-I355 PolarHBondContact O-N 3.21Å; A352-I355 PolarHBondContact O-N 3.43Å; I355-Q357 PolarHBondContact O-N 3.46Å; I355-V358 PolarHBondContact O-N 3.34Å; I355-K361 PolarHBondContact O-NZ 2.93Å; I355-M364 HydrophobicContact CG1-CE 3.84Å
356E93.7Very high93.8Very high110 Ų11044.9 Ų44.951%0.51422%0.224SC..Hα-helixtrans-58.9-34.7174.3-73.8168.4-16800112.4A352 I354 K361A352-E356 WeakPolarHBondContact O-CG 3.3Å; A352-E356 PolarHBondContact O-N 3.06Å; I354-E356 PolarHBondContact O-N 3.13Å; E356-K361 PolarHBondContact O-NZ 3.35Å
357Q95.2Very high94Very high83 Ų8340.3 Ų40.339%0.38821%0.207SC..THydrogen-bonded Turntrans-94.314.7-177.1-69.8179.577.800115.1T170 V174 G353 I354 I355T170-Q357 HydrophobicContact CG2-CB 4.33Å; T170-Q357 WeakPolarHBondContact CG2-O 3.37Å; T170-Q357 PolarHBondContact N-O 3.34Å; T170-Q357 VanDerWaalsContact N-O 3.15Å; T170-Q357 PolarHBondContact OG1-O 3.27Å; T170-Q357 PolarHBondContact OG1-OE1 3.33Å; V174-Q357 HydrophobicContact CG1-CB 4.12Å; V174-Q357 HydrophobicContact CG2-CB 3.77Å; V174-Q357 HydrophobicContact CG2-CG 4.37Å; V174-Q357 VanDerWaalsContact CG2-OE1 3.3Å; G353-Q357 WeakPolarHBondContact O-CG 3.24Å; G353-Q357 PolarHBondContact O-NE2 3.4Å; I354-Q357 CarbonylContact O-C 3.45Å; I354-Q357 WeakPolarHBondContact O-CA 3.38Å; I354-Q357 PolarHBondContact O-N 3.4Å; I355-Q357 PolarHBondContact O-N 3.46Å
358V95.7Very high94Very high0 Ų040.4 Ų40.40%021%0.207CC..BIsolated β-bridgetrans-117.2118.6175172.80000108.6L165 S168 V174 L178 I354 I355 K361 M364L165-V358 HydrophobicContact CD1-CG1 3.54Å; S168-V358 WeakPolarHBondContact OG-CG1 3.26Å; V174-V358 HydrophobicContact CG1-CG2 3.9Å; L178-V358 HydrophobicContact CD2-CG2 3.96Å; I354-V358 HydrophobicContact CG2-CG2 4.13Å; I354-V358 WeakPolarHBondContact O-CG2 3.4Å; I354-V358 PolarHBondContact O-N 3.15Å; I355-V358 PolarHBondContact O-N 3.34Å; V358-K361 VanDerWaalsContact O-CD 3.26Å; V358-K361 WeakPolarHBondContact O-CD 3.42Å; V358-K361 VanDerWaalsContact O-CE 3.23Å; V358-K361 WeakPolarHBondContact O-CE 3.3Å; V358-K361 PolarHBondContact O-NZ 3.19Å; V358-M364 HydrophobicContact CB-CG 4.43Å; V358-M364 HydrophobicContact CG1-CG 3.75Å
359D95.3Very high94.1Very high118 Ų11841.9 Ų41.963%0.63122%0.22SC*.SBendtrans-74.8-29.4-175.1-67.5-24.9000112.8S168 K361S168-D359 PolarHBondContact O-N 2.65Å; D359-K361 PolarHBondContact O-N 2.91Å
360A95.2Very high94.2Very high22 Ų2236.5 Ų36.518%0.18220%0.2CC..  trans-76.96617800000112.5L165 S168 E362 L363 M364L165-A360 HydrophobicContact CD1-CB 4.24Å; S168-A360 VanDerWaalsContact OG-CB 3.24Å; S168-A360 WeakPolarHBondContact OG-CB 3.49Å; S168-A360 PolarHBondContact OG-N 2.89Å; A360-E362 VanDerWaalsContact C-N 3.32Å; A360-E362 PolarHBondContact O-N 3.38Å; A360-L363 HydrophobicContact CB-CB 4.21Å; A360-L363 HydrophobicContact CB-CD1 3.94Å; A360-L363 HydrophobicContact CB-CG 4.23Å; A360-L363 PolarHBondContact O-N 2.62Å; A360-M364 PolarHBondContact O-N 2.94Å
361K93.6Very high94.2Very high67 Ų6736.3 Ų36.329%0.29120%0.198SC..Hα-helixtrans-59-39.3-176.5-57.2-58.8-175-154.60112.9F343 I355 E356 V358 D359 M364 A365F343-K361 HydrophobicContact CE2-CD 4.46Å; F343-K361 HydrophobicContact CZ-CB 4.31Å; F343-K361 HydrophobicContact CZ-CD 4.4Å; F343-K361 WeakPolarHBondContact CZ-O 3.32Å; I355-K361 PolarHBondContact O-NZ 2.93Å; E356-K361 PolarHBondContact O-NZ 3.35Å; V358-K361 VanDerWaalsContact O-CD 3.26Å; V358-K361 WeakPolarHBondContact O-CD 3.42Å; V358-K361 VanDerWaalsContact O-CE 3.23Å; V358-K361 WeakPolarHBondContact O-CE 3.3Å; V358-K361 PolarHBondContact O-NZ 3.19Å; D359-K361 PolarHBondContact O-N 2.91Å; K361-M364 PolarHBondContact O-N 2.94Å; K361-A365 WeakPolarHBondContact O-CB 3.47Å; K361-A365 PolarHBondContact O-N 3.48Å
362E93.8Very high94Very high172 Ų17237.9 Ų37.980%0.80421%0.207SC*.Hα-helixtrans-64.1-42.3-179.2-63.3-176.217200112.1A360 A365 S366A360-E362 VanDerWaalsContact C-N 3.32Å; A360-E362 PolarHBondContact O-N 3.38Å; E362-A365 PolarHBondContact O-N 3.48Å; E362-S366 PolarHBondContact O-N 2.98Å
363L95.7Very high93.8Very high30 Ų3045 Ų4516%0.15724%0.239CC..Hα-helixtrans-63.4-45.8175.6-65.6-176.5000110.7F138 Q161 D164 L165 A360 A365 S366 I367F138-L363 HydrophobicContact CE1-CB 3.92Å; F138-L363 HydrophobicContact CE1-CD2 4.15Å; F138-L363 HydrophobicContact CZ-CB 4.17Å; Q161-L363 HydrophobicContact CB-CD1 4.48Å; Q161-L363 HydrophobicContact CB-CD2 4.1Å; Q161-L363 HydrophobicContact CG-CD2 4.14Å; Q161-L363 WeakPolarHBondContact O-CD1 3.45Å; D164-L363 HydrophobicContact CB-CD1 4.06Å; L165-L363 HydrophobicContact CB-CD1 4.06Å; L165-L363 HydrophobicContact CD1-CB 4.33Å; A360-L363 HydrophobicContact CB-CB 4.21Å; A360-L363 HydrophobicContact CB-CD1 3.94Å; A360-L363 HydrophobicContact CB-CG 4.23Å; A360-L363 PolarHBondContact O-N 2.62Å; L363-A365 VanDerWaalsContact C-N 3.28Å; L363-A365 PolarHBondContact O-N 3.26Å; L363-S366 PolarHBondContact O-N 3.48Å; L363-S366 PolarHBondContact O-OG 3.43Å; L363-I367 PolarHBondContact O-N 3.23Å
364M94.6Very high93.6Very high0 Ų046.6 Ų46.60%024%0.241CC..Hα-helixtrans-59.5-40.3173.7-76.6-62.2-68.100111.9L165 L178 L327 F343 I355 V358 A360 K361 S366 I367 V368L165-M364 HydrophobicContact CD1-CG 3.64Å; L165-M364 HydrophobicContact CD1-SD 3.79Å; L165-M364 HydrophobicContact CD2-SD 4.08Å; L178-M364 HydrophobicContact CD1-CE 3.74Å; L178-M364 HydrophobicContact CD1-SD 3.7Å; L178-M364 HydrophobicContact CD2-SD 4.27Å; L327-M364 HydrophobicContact CD2-CE 4.31Å; F343-M364 HydrophobicContact CE1-CB 3.56Å; F343-M364 HydrophobicContact CZ-CB 3.87Å; I355-M364 HydrophobicContact CG1-CE 3.84Å; V358-M364 HydrophobicContact CB-CG 4.43Å; V358-M364 HydrophobicContact CG1-CG 3.75Å; A360-M364 PolarHBondContact O-N 2.94Å; K361-M364 PolarHBondContact O-N 2.94Å; M364-S366 VanDerWaalsContact C-N 3.34Å; M364-S366 PolarHBondContact O-N 3.33Å; M364-I367 PolarHBondContact O-N 3.28Å; M364-V368 WeakPolarHBondContact O-CG2 3.14Å; M364-V368 PolarHBondContact O-N 3.11Å
365A93.5Very high93.2Very high27 Ų2746.8 Ų46.822%0.22324%0.242CC..Hα-helixtrans-64.7-41.3-178.300000111F343 K361 E362 L363 I367 V368 A369F343-A365 HydrophobicContact CD1-CB 3.88Å; F343-A365 VanDerWaalsContact CE1-CA 3.46Å; F343-A365 HydrophobicContact CE1-CB 3.81Å; F343-A365 VanDerWaalsContact CE1-N 3.26Å; F343-A365 HydrophobicContact CZ-CB 4.49Å; K361-A365 WeakPolarHBondContact O-CB 3.47Å; K361-A365 PolarHBondContact O-N 3.48Å; E362-A365 PolarHBondContact O-N 3.48Å; L363-A365 VanDerWaalsContact C-N 3.28Å; L363-A365 PolarHBondContact O-N 3.26Å; A365-I367 PolarHBondContact O-N 3Å; A365-V368 PolarHBondContact O-N 2.99Å; A365-A369 WeakPolarHBondContact O-CB 3.12Å; A365-A369 PolarHBondContact O-N 2.94Å
366S94Very high92.8Very high45 Ų4550.3 Ų50.332%0.31526%0.26SS..Hα-helixtrans-59.1-43.9175.177.30000112.6F138 E362 L363 M364 A369 I370F138-S366 WeakPolarHBondContact CD1-OG 3.34Å; E362-S366 PolarHBondContact O-N 2.98Å; L363-S366 PolarHBondContact O-N 3.48Å; L363-S366 PolarHBondContact O-OG 3.43Å; M364-S366 VanDerWaalsContact C-N 3.34Å; M364-S366 PolarHBondContact O-N 3.33Å; S366-A369 PolarHBondContact O-N 3.19Å; S366-I370 VanDerWaalsContact O-CG1 3.3Å; S366-I370 WeakPolarHBondContact O-CG1 3.39Å; S366-I370 PolarHBondContact O-N 3.06Å; S366-I370 VanDerWaalsContact O-N 3.15Å
367I94.8Very high92.3Very high0 Ų047.7 Ų47.70%025%0.254CS..Hα-helixtrans-63.6-46.6177.6-67.4167.3000110.1I137 F138 L165 L182 L363 M364 A365 A369 I370 M371I137-I367 HydrophobicContact CG1-CG1 4.49Å; I137-I367 HydrophobicContact CG1-CG2 4Å; I137-I367 HydrophobicContact CG2-CD1 4.14Å; I137-I367 HydrophobicContact CG2-CG1 4.36Å; F138-I367 HydrophobicContact CD1-CD1 4.12Å; F138-I367 HydrophobicContact CD1-CG1 3.69Å; F138-I367 HydrophobicContact CE1-CD1 3.5Å; F138-I367 HydrophobicContact CE1-CG1 3.52Å; F138-I367 HydrophobicContact CE2-CD1 4.31Å; F138-I367 HydrophobicContact CG-CG1 4.44Å; F138-I367 HydrophobicContact CZ-CD1 3.62Å; F138-I367 HydrophobicContact CZ-CG1 4.14Å; L165-I367 HydrophobicContact CD2-CD1 3.69Å; L182-I367 HydrophobicContact CD1-CD1 4.25Å; L182-I367 HydrophobicContact CD2-CD1 3.98Å; L182-I367 HydrophobicContact CD2-CG2 3.88Å; L363-I367 PolarHBondContact O-N 3.23Å; M364-I367 PolarHBondContact O-N 3.28Å; A365-I367 PolarHBondContact O-N 3Å; I367-A369 PolarHBondContact O-N 2.79Å; I367-I370 PolarHBondContact O-N 2.83Å; I367-M371 HydrophobicContact CG2-CG 4.25Å; I367-M371 WeakPolarHBondContact O-CB 3.5Å; I367-M371 VanDerWaalsContact O-CG 3.25Å; I367-M371 WeakPolarHBondContact O-CG 3.49Å; I367-M371 PolarHBondContact O-N 2.84Å
368V94Very high91.4Very high1 Ų144.2 Ų44.21%0.00624%0.239CC..Hα-helixtrans-61.1-46.1-179.1172.20000110.9F343 E344 F347 M364 A365 I370 M371 V372F343-V368 HydrophobicContact CD1-CB 4.31Å; F343-V368 HydrophobicContact CD1-CG2 4.06Å; E344-V368 WeakPolarHBondContact O-CG1 3.38Å; F347-V368 HydrophobicContact CE1-CG1 4.12Å; F347-V368 HydrophobicContact CE1-CG2 3.82Å; F347-V368 HydrophobicContact CZ-CG1 3.87Å; F347-V368 HydrophobicContact CZ-CG2 3.94Å; M364-V368 WeakPolarHBondContact O-CG2 3.14Å; M364-V368 PolarHBondContact O-N 3.11Å; A365-V368 PolarHBondContact O-N 2.99Å; V368-I370 VanDerWaalsContact C-N 3.33Å; V368-I370 PolarHBondContact O-N 2.84Å; V368-M371 PolarHBondContact O-N 3.19Å; V368-M371 VanDerWaalsContact O-N 3.1Å; V368-V372 HydrophobicContact CG1-CG2 4.24Å; V368-V372 WeakPolarHBondContact O-CG2 3.38Å; V368-V372 PolarHBondContact O-N 3.32Å
369A93.4Very high90.1Very high34 Ų3448.7 Ų48.728%0.28126%0.259SS..Hα-helixtrans-58.8-44.1178.400000111.9A365 S366 I367 M371 V372 K373A365-A369 WeakPolarHBondContact O-CB 3.12Å; A365-A369 PolarHBondContact O-N 2.94Å; S366-A369 PolarHBondContact O-N 3.19Å; I367-A369 PolarHBondContact O-N 2.79Å; A369-M371 VanDerWaalsContact C-N 3.33Å; A369-M371 PolarHBondContact O-N 3.38Å; A369-V372 PolarHBondContact O-N 3.18Å; A369-K373 WeakPolarHBondContact O-CB 3.48Å; A369-K373 PolarHBondContact O-N 3.43Å
370I93.9Very high88.1Confident28 Ų2848.1 Ų48.114%0.14426%0.256CS..Hα-helixtrans-60.5-44.2174.8-67.7166.6000110.8F138 S366 I367 V368 Q374F138-I370 WeakPolarHBondContact O-CD1 3.49Å; S366-I370 VanDerWaalsContact O-CG1 3.3Å; S366-I370 WeakPolarHBondContact O-CG1 3.39Å; S366-I370 PolarHBondContact O-N 3.06Å; S366-I370 VanDerWaalsContact O-N 3.15Å; I367-I370 PolarHBondContact O-N 2.83Å; V368-I370 VanDerWaalsContact C-N 3.33Å; V368-I370 PolarHBondContact O-N 2.84Å; I370-Q374 WeakPolarHBondContact O-CB 3.42Å; I370-Q374 PolarHBondContact O-N 3.34Å
371M92.5Very high86Confident1 Ų152.9 Ų52.91%0.00528%0.278CS..Hα-helixtrans-67.5-38.9-178.5-71.8-59.9-62.800113I137 A185 Y188 R189 W235 I367 V368 A369 Q374 K375I137-M371 HydrophobicContact CD1-SD 4.3Å; A185-M371 HydrophobicContact CB-CE 3.57Å; A185-M371 HydrophobicContact CB-SD 3.86Å; Y188-M371 HydrophobicContact CD1-CE 4Å; R189-M371 HydrophobicContact CG-SD 3.92Å; W235-M371 HydrophobicContact CH2-CE 3.72Å; W235-M371 HydrophobicContact CZ3-CE 3.35Å; I367-M371 HydrophobicContact CG2-CG 4.25Å; I367-M371 WeakPolarHBondContact O-CB 3.5Å; I367-M371 VanDerWaalsContact O-CG 3.25Å; I367-M371 WeakPolarHBondContact O-CG 3.49Å; I367-M371 PolarHBondContact O-N 2.84Å; V368-M371 PolarHBondContact O-N 3.19Å; V368-M371 VanDerWaalsContact O-N 3.1Å; A369-M371 VanDerWaalsContact C-N 3.33Å; A369-M371 PolarHBondContact O-N 3.38Å; M371-Q374 PolarHBondContact O-N 3.23Å; M371-K375 VanDerWaalsContact O-CG 3.31Å; M371-K375 WeakPolarHBondContact O-CG 3.4Å; M371-K375 PolarHBondContact O-N 3.22Å
372V90.3Very high83.4Confident33 Ų3354.2 Ų54.220%0.229%0.285CS..Hα-helixtrans-64-51.3175.3170.70000110E344 V368 A369 Q374 K375 D376E344-V372 WeakPolarHBondContact O-CG2 3.26Å; V368-V372 HydrophobicContact CG1-CG2 4.24Å; V368-V372 WeakPolarHBondContact O-CG2 3.38Å; V368-V372 PolarHBondContact O-N 3.32Å; A369-V372 PolarHBondContact O-N 3.18Å; V372-Q374 VanDerWaalsContact C-N 3.27Å; V372-Q374 PolarHBondContact O-N 2.99Å; V372-K375 WeakPolarHBondContact O-CB 3.23Å; V372-K375 PolarHBondContact O-N 3.46Å; V372-D376 PolarHBondContact O-N 3.47Å
373K90Very high80.5Confident151 Ų15150.9 Ų50.966%0.65728%0.276SS*.Hα-helixtrans-55.7-41.4176.8-174177.4-178.3177.40112.9A369 S377A369-K373 WeakPolarHBondContact O-CB 3.48Å; A369-K373 PolarHBondContact O-N 3.43Å; K373-S377 WeakPolarHBondContact O-CB 3.31Å; K373-S377 PolarHBondContact O-N 3.38Å; K373-S377 VanDerWaalsContact O-N 3.1Å; K373-S377 PolarHBondContact O-OG 2.88Å
374Q88.7Confident77.3Confident50 Ų5056.2 Ų56.223%0.23431%0.305CS..Hα-helixtrans-64.3-41.8176.8-173.67043.300111.9Y188 R189 I370 M371 V372 S378Y188-Q374 HydrophobicContact CE1-CG 3.84Å; R189-Q374 HydrophobicContact CG-CG 4.42Å; I370-Q374 WeakPolarHBondContact O-CB 3.42Å; I370-Q374 PolarHBondContact O-N 3.34Å; M371-Q374 PolarHBondContact O-N 3.23Å; V372-Q374 VanDerWaalsContact C-N 3.27Å; V372-Q374 PolarHBondContact O-N 2.99Å; Q374-S378 PolarHBondContact O-N 3.12Å; Q374-S378 VanDerWaalsContact O-N 3.12Å; Q374-S378 PolarHBondContact O-OG 3.44Å
375K85.9Confident74.1Confident10 Ų1060.5 Ų60.54%0.04333%0.334CS..Hα-helixtrans-66.8-41.4179.2-76.4171176.5178.70112.1Y188 C325 S326 S329 M371 V372 S378 K379Y188-K375 HydrophobicContact CE1-CG 4.47Å; C325-K375 PolarHBondContact O-NZ 2.7Å; S326-K375 PolarHBondContact O-NZ 3.44Å; S329-K375 WeakPolarHBondContact OG-CE 3.33Å; S329-K375 PolarHBondContact OG-NZ 2.83Å; M371-K375 VanDerWaalsContact O-CG 3.31Å; M371-K375 WeakPolarHBondContact O-CG 3.4Å; M371-K375 PolarHBondContact O-N 3.22Å; V372-K375 WeakPolarHBondContact O-CB 3.23Å; V372-K375 PolarHBondContact O-N 3.46Å; K375-S378 PolarHBondContact O-N 2.7Å; K375-K379 WeakPolarHBondContact O-CG 3.49Å; K375-K379 PolarHBondContact O-N 3.3Å
376D84.5Confident70.8Confident74 Ų7466.1 Ų66.140%0.39636%0.359SS..Hα-helixtrans-66.3-43.1179.7-64.7-24.3000110.6V372 S378 K379 D380V372-D376 PolarHBondContact O-N 3.47Å; D376-S378 VanDerWaalsContact C-N 3.29Å; D376-S378 PolarHBondContact O-N 3.25Å; D376-K379 PolarHBondContact O-N 3.36Å; D376-K379 VanDerWaalsContact O-N 3.08Å; D376-D380 PolarHBondContact O-N 3.15Å; D376-D380 VanDerWaalsContact O-N 3.14Å
377S83.3Confident67.8Low55 Ų5568.5 Ų68.539%0.38537%0.373SS..Hα-helixtrans-57.6-40.8173.5-55.70000112.5K373 L381K373-S377 WeakPolarHBondContact O-CB 3.31Å; K373-S377 PolarHBondContact O-N 3.38Å; K373-S377 VanDerWaalsContact O-N 3.1Å; K373-S377 PolarHBondContact O-OG 2.88Å; S377-L381 WeakPolarHBondContact O-CD1 3.33Å; S377-L381 PolarHBondContact O-N 3.31Å
378S76Confident64.8Low11 Ų1173.1 Ų73.18%0.07741%0.412CS..Hα-helixtrans-70-30.8177.8-65.50000113.2Y188 Q374 K375 D376 H382Y188-S378 WeakPolarHBondContact OH-CB 3.35Å; Y188-S378 PolarHBondContact OH-OG 2.92Å; Q374-S378 PolarHBondContact O-N 3.12Å; Q374-S378 VanDerWaalsContact O-N 3.12Å; Q374-S378 PolarHBondContact O-OG 3.44Å; K375-S378 PolarHBondContact O-N 2.7Å; D376-S378 VanDerWaalsContact C-N 3.29Å; D376-S378 PolarHBondContact O-N 3.25Å; S378-H382 PolarHBondContact O-CD2 3.07Å; S378-H382 PolarHBondContact O-N 2.94Å
379K68.2Low61.7Low93 Ų9384.2 Ų84.240%0.40446%0.455SS..Hα-helixtrans-67.8-44.2174.8-74175.6-178.3172.30111V236 K375 D376 L381 H382 V383V236-K379 HydrophobicContact CG1-CG 4.23Å; K375-K379 WeakPolarHBondContact O-CG 3.49Å; K375-K379 PolarHBondContact O-N 3.3Å; D376-K379 PolarHBondContact O-N 3.36Å; D376-K379 VanDerWaalsContact O-N 3.08Å; K379-L381 VanDerWaalsContact C-N 3.32Å; K379-L381 PolarHBondContact O-N 3.21Å; K379-H382 PolarHBondContact O-N 2.67Å; K379-V383 WeakPolarHBondContact O-CG2 3.39Å; K379-V383 PolarHBondContact O-N 3.36Å
380D54.4Low58.7Low107 Ų10786 Ų8657%0.57247%0.47SS*.Hα-helixtrans-63.5-37.9-179.5-67.1-23.3000112.5D376 H382 V383 N384D376-D380 PolarHBondContact O-N 3.15Å; D376-D380 VanDerWaalsContact O-N 3.14Å; D380-H382 VanDerWaalsContact C-N 3.25Å; D380-H382 PolarHBondContact O-N 3.14Å; D380-V383 PolarHBondContact O-N 3.08Å; D380-N384 PolarHBondContact O-N 3Å; D380-N384 PolarHBondContact O-ND2 2.83Å
381L50.6Low55.6Low122 Ų12292 Ų9264%0.63950%0.503SS*.Hα-helixtrans-61.4-32.6172.6-84.1153.2000112.7S377 K379S377-L381 WeakPolarHBondContact O-CD1 3.33Å; S377-L381 PolarHBondContact O-N 3.31Å; K379-L381 VanDerWaalsContact C-N 3.32Å; K379-L381 PolarHBondContact O-N 3.21Å
382H39.3Very low52.7Low95 Ų95105.5 Ų105.544%0.4456%0.561SS.*Hα-helixtrans-84.7-32.5179.6-89.8-69.1000113.8G237 S378 K379 D380 N384 C385 L386G237-H382 VanDerWaalsContact CA-NE2 3.25Å; G237-H382 WeakPolarHBondContact CA-NE2 3.24Å; S378-H382 PolarHBondContact O-CD2 3.07Å; S378-H382 PolarHBondContact O-N 2.94Å; K379-H382 PolarHBondContact O-N 2.67Å; D380-H382 VanDerWaalsContact C-N 3.25Å; D380-H382 PolarHBondContact O-N 3.14Å; H382-N384 PolarHBondContact O-N 3.43Å; H382-C385 PolarHBondContact O-N 3.36Å; H382-L386 PolarHBondContact O-N 2.99Å
383V32.8Very low50.8Low101 Ų101109.1 Ų109.161%0.61258%0.579SS**Hα-helixtrans-60.9-35.6174.5176.30000110.6K379 D380 C385K379-V383 WeakPolarHBondContact O-CG2 3.39Å; K379-V383 PolarHBondContact O-N 3.36Å; D380-V383 PolarHBondContact O-N 3.08Å; V383-C385 VanDerWaalsContact C-N 3.25Å; V383-C385 PolarHBondContact O-N 3.22Å
384N27.7Very low48.7Very low143 Ų143106.9 Ų106.977%0.76558%0.575SS**THydrogen-bonded Turntrans-76.1-7.6175.9-69.7-33.9000114.5D380 H382D380-N384 PolarHBondContact O-N 3Å; D380-N384 PolarHBondContact O-ND2 2.83Å; H382-N384 PolarHBondContact O-N 3.43Å
385C28.1Very low46.5Very low90 Ų90110.1 Ų110.161%0.60859%0.594SS**THydrogen-bonded Turntrans-117.716.7-175.1-77.30000113.8H382 V383 P387H382-C385 PolarHBondContact O-N 3.36Å; V383-C385 VanDerWaalsContact C-N 3.25Å; V383-C385 PolarHBondContact O-N 3.22Å; C385-P387 VanDerWaalsContact C-CD 3.48Å; C385-P387 WeakPolarHBondContact O-CD 3.46Å
386L24.9Very low44.2Very low145 Ų145115.9 Ų115.976%0.75963%0.626SS**  trans-88.493.6168.9-73170.6000110.2H382 A388H382-L386 PolarHBondContact O-N 2.99Å; L386-A388 PolarHBondContact O-N 3.36Å
387P30.9Very low41.7Very low95 Ų95118.6 Ų118.662%0.61764%0.641SS**  trans-69.8128.8159.330.5-31.8000107.8C385 Y389C385-P387 VanDerWaalsContact C-CD 3.48Å; C385-P387 WeakPolarHBondContact O-CD 3.46Å; P387-Y389 PolarHBondContact O-N 2.83Å
388A30.8Very low38.9Very low97 Ų97122.8 Ų122.880%0.80266%0.658SS**  trans-47.5101.2174.300000111.3L386 A390L386-A388 PolarHBondContact O-N 3.36Å; A388-A390 PolarHBondContact O-N 2.82Å
389Y29.7Very low36.2Very low233 Ų233130.8 Ų130.891%0.91470%0.699SS**  trans-77.673.3154.4-82-85.8000107.3P387P387-Y389 PolarHBondContact O-N 2.83Å
390A29.4Very low33.8Very low73 Ų73133.7 Ų133.760%0.60372%0.722SS**  trans-82.9122.816600000108.7A388A388-A390 PolarHBondContact O-N 2.82Å
391N28.9Very low32.1Very low154 Ų154135.9 Ų135.982%0.82473%0.734SS**  trans63.3101.5154-58.1-21000118.8
392K31.7Very low30.4Very low283 Ų283137.2 Ų137.2100%1.2374%0.743SS**  -130.80122.4-78.7-171.4178.5-178.30107.5

Retrieved 392 of 392 residues in 123.2 ms (Link to these results)

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