A0A077Z0D8_TRITR Loading...

LsmAD domain-containing protein

AlphaFold DB , UniProt , Accession A0A077Z0D8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 926 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
1M50.8Low41.1Very low234 Ų234148.5 Ų148.5100%1.15383%0.827SS**  0119.30-44.5-42-173.600106.6
2P42.9Very low40.3Very low128 Ų128145.3 Ų145.383%0.83182%0.82SS**  cis-134.5-156.439.642.9-26.3000113.7
3A40.5Very low40.2Very low88 Ų88145.9 Ų145.973%0.72781%0.808SS**  trans70.480.1152.700000118.8
4E37.3Very low39.5Very low157 Ų157148.8 Ų148.873%0.73481%0.812SS**  trans-25.4132.2137.6-179-174.3173.200114.5K6E4-K6 HydrophobicContact CG-CG 4.48Å; E4-K6 WeakPolarHBondContact OE1-CE 2.82Å; E4-K6 IonicContact OE1-NZ 3.77Å
5A42.2Very low39Very low94 Ų94148.1 Ų148.178%0.77779%0.794SS**  trans-131.795173.900000110.5R7A5-R7 PolarHBondContact O-N 3.15Å
6K43.8Very low38.8Very low186 Ų186143.5 Ų143.581%0.80978%0.783SS**  trans-65.4101.8176.7-65.9-172.9-174.3-175.80110.4E4E4-K6 HydrophobicContact CG-CG 4.48Å; E4-K6 WeakPolarHBondContact OE1-CE 2.82Å; E4-K6 IonicContact OE1-NZ 3.77Å
7R41Very low38.7Very low242 Ų242139.8 Ų139.891%0.91376%0.761SS**  trans-92.2106.6176.3-158.1176.8-164.31763.5108.8A5A5-R7 PolarHBondContact O-N 3.15Å
8A38.4Very low38.8Very low83 Ų83135.2 Ų135.269%0.68674%0.741SS**PPolyproline II helixtrans-59.7143.7178.100000111.3
9P42.6Very low38.9Very low128 Ų128135.6 Ų135.683%0.83173%0.734SS**PPolyproline II helixtrans-63.6140.2173.927.9-34000110.2
10Q38Very low39.5Very low182 Ų182134.1 Ų134.185%0.8573%0.73SS**PPolyproline II helixtrans-72.9148.8177.3-68.3-178.1-40.300110.6C12Q10-C12 PolarHBondContact O-N 3.41Å
11S34.9Very low39.9Very low112 Ų112132 Ų13278%0.78372%0.715SS**  trans-65.5115.6-175.346.50000112.3K13S11-K13 PolarHBondContact O-N 3.17Å; S11-K13 VanDerWaalsContact O-N 3.1Å
12C31.9Very low39.6Very low110 Ų110121.9 Ų121.974%0.74367%0.665SS**  trans-65.1107.6166.1-60.10000108.9Q10Q10-C12 PolarHBondContact O-N 3.41Å
13K38.2Very low40.1Very low153 Ų153121.4 Ų121.467%0.66565%0.651SS**  trans-65.5151.4170.3-65.9177.7-178.9175.30110S11 Y15S11-K13 PolarHBondContact O-N 3.17Å; S11-K13 VanDerWaalsContact O-N 3.1Å; K13-Y15 HydrophobicContact CB-CD2 4.26Å; K13-Y15 HydrophobicContact CB-CE2 3.84Å; K13-Y15 PolarHBondContact O-N 3.01Å
14E31.1Very low40.6Very low186 Ų186122.6 Ų122.687%0.86965%0.646SS**  trans-64.3124.2170.9-66.9175.2103.600110.5
15Y31.9Very low41.3Very low138 Ų138116.5 Ų116.554%0.54162%0.622SS.*  trans-132.3119.9165-74.9-83.9000107.7K13 Q882K13-Y15 HydrophobicContact CB-CD2 4.26Å; K13-Y15 HydrophobicContact CB-CE2 3.84Å; K13-Y15 PolarHBondContact O-N 3.01Å; Y15-Q882 PolarHBondContact O-NE2 2.82Å
16A35.9Very low41.7Very low75 Ų75115.4 Ų115.462%0.6260%0.602SS**  trans-131.2114.3169.700000106.3
17M37.6Very low42.2Very low81 Ų81112.3 Ų112.340%0.39960%0.598SS.*  trans-92.4151.8175.1-77.7-172.9-69.100110.2E21 M881M17-E21 HydrophobicContact CB-CB 4.18Å; M17-E21 HydrophobicContact CG-CB 4.45Å; M17-E21 HydrophobicContact SD-CB 4.27Å; M17-M881 HydrophobicContact CE-CG 4.02Å; M17-M881 HydrophobicContact CE-SD 4.11Å
18S39.1Very low42.8Very low57 Ų57105 Ų10540%0.39959%0.59SS.*  trans-77.2164176.469.30000112.2V20 E21 F22S18-V20 PolarHBondContact O-N 2.95Å; S18-E21 VanDerWaalsContact CB-OE2 3.27Å; S18-E21 WeakPolarHBondContact CB-OE2 3.39Å; S18-E21 PolarHBondContact N-OE2 2.92Å; S18-E21 PolarHBondContact O-N 3.1Å; S18-E21 PolarHBondContact OG-OE2 3.45Å; S18-F22 PolarHBondContact O-N 3.16Å
19F42.3Very low43.9Very low142 Ų142103.3 Ų103.362%0.62358%0.581SS**Hα-helixtrans-63.9-19.4176.3-173-94.1000113.5F22F19-F22 HydrophobicContact CD2-CD1 4.41Å; F19-F22 HydrophobicContact CE2-CD1 4.2Å; F19-F22 WeakPolarHBondContact O-CB 3.15Å
20V49Very low45.1Very low106 Ų10699 Ų9964%0.64255%0.549SS*.Hα-helixtrans-76.9-44.5176.8-176.20000110.5S18 F22 E23 D24S18-V20 PolarHBondContact O-N 2.95Å; V20-F22 PolarHBondContact O-N 3.49Å; V20-E23 PolarHBondContact O-N 2.72Å; V20-D24 PolarHBondContact O-N 3.21Å
21E48.7Very low46.8Very low91 Ų9196.9 Ų96.943%0.42555%0.548SS..Hα-helixtrans-63-23.1175.6-67.7158.4117.900112.2M17 S18 A25M17-E21 HydrophobicContact CB-CB 4.18Å; M17-E21 HydrophobicContact CG-CB 4.45Å; M17-E21 HydrophobicContact SD-CB 4.27Å; S18-E21 VanDerWaalsContact CB-OE2 3.27Å; S18-E21 WeakPolarHBondContact CB-OE2 3.39Å; S18-E21 PolarHBondContact N-OE2 2.92Å; S18-E21 PolarHBondContact O-N 3.1Å; S18-E21 PolarHBondContact OG-OE2 3.45Å; E21-A25 WeakPolarHBondContact O-CB 3.31Å; E21-A25 PolarHBondContact O-N 3.06Å
22F45.5Very low49.1Very low21 Ų2194.9 Ų94.99%0.09253%0.529CS..Hα-helixtrans-67.4-40.9174.9174.2-106.4000113.3S18 F19 V20 A25 M26 V40 M881 Y883S18-F22 PolarHBondContact O-N 3.16Å; F19-F22 HydrophobicContact CD2-CD1 4.41Å; F19-F22 HydrophobicContact CE2-CD1 4.2Å; F19-F22 WeakPolarHBondContact O-CB 3.15Å; V20-F22 PolarHBondContact O-N 3.49Å; F22-A25 PolarHBondContact O-N 3.04Å; F22-M26 HydrophobicContact CD1-CE 3.72Å; F22-M26 HydrophobicContact CD1-SD 4.46Å; F22-M26 HydrophobicContact CE1-CE 3.29Å; F22-M26 HydrophobicContact CE1-SD 3.72Å; F22-M26 HydrophobicContact CE2-CG 4.17Å; F22-M26 HydrophobicContact CE2-SD 4.06Å; F22-M26 HydrophobicContact CG-CE 4.49Å; F22-M26 HydrophobicContact CZ-CE 3.76Å; F22-M26 HydrophobicContact CZ-CG 4.18Å; F22-M26 HydrophobicContact CZ-SD 3.47Å; F22-M26 WeakPolarHBondContact CZ-SD 3.48Å; F22-M26 WeakPolarHBondContact O-CB 3.48Å; F22-M26 WeakPolarHBondContact O-CG 3.38Å; F22-M26 PolarHBondContact O-N 2.7Å; F22-V40 HydrophobicContact CZ-CG2 4.47Å; F22-M881 HydrophobicContact CD2-CE 3.62Å; F22-M881 HydrophobicContact CD2-SD 4.18Å; F22-M881 HydrophobicContact CE2-CE 3.77Å; F22-Y883 HydrophobicContact CD2-CE2 4.36Å; F22-Y883 WeakPolarHBondContact CD2-OH 3.36Å; F22-Y883 HydrophobicContact CE2-CE2 4.31Å; F22-Y883 VanDerWaalsContact CE2-OH 3.22Å; F22-Y883 WeakPolarHBondContact CE2-OH 2.95Å; F22-Y883 VanDerWaalsContact CZ-OH 3.32Å; F22-Y883 WeakPolarHBondContact CZ-OH 3.49Å
23E53.4Low51.5Low117 Ų11796.5 Ų96.555%0.54753%0.525SS..Hα-helixtrans-69.5-40.8176.5-69.2-159.3142.500111.8V20 M26 T27V20-E23 PolarHBondContact O-N 2.72Å; E23-M26 HydrophobicContact CG-CE 4.39Å; E23-M26 PolarHBondContact O-N 3.39Å; E23-T27 WeakPolarHBondContact O-CB 3.15Å; E23-T27 PolarHBondContact O-N 3.13Å; E23-T27 PolarHBondContact O-OG1 3.15Å
24D50.3Low53.7Low114 Ų11493 Ų9361%0.6152%0.518SS*.Hα-helixtrans-62.8-44173.5-80.5-27.8000111.3V20 T27 A28V20-D24 PolarHBondContact O-N 3.21Å; D24-T27 PolarHBondContact O-N 2.88Å; D24-T27 VanDerWaalsContact O-N 3.15Å; D24-A28 WeakPolarHBondContact O-CB 3.22Å; D24-A28 PolarHBondContact O-N 3.44Å
25A51.1Low56.3Low28 Ų2884.4 Ų84.423%0.23148%0.478CS..Hα-helixtrans-63.1-43177.100000112.7E21 F22 T27 A28 F30 M881E21-A25 WeakPolarHBondContact O-CB 3.31Å; E21-A25 PolarHBondContact O-N 3.06Å; F22-A25 PolarHBondContact O-N 3.04Å; A25-T27 PolarHBondContact O-N 3.2Å; A25-A28 PolarHBondContact O-N 3.34Å; A25-F30 WeakPolarHBondContact O-CD2 3.45Å; A25-F30 WeakPolarHBondContact O-CE2 3.33Å; A25-M881 HydrophobicContact CB-SD 4.14Å
26M51.7Low59Low72 Ų7278.4 Ų78.436%0.35546%0.456SS..Hα-helixtrans-60.6-35.4173.4-77.5-164.5-59.800112.2F22 E23F22-M26 HydrophobicContact CD1-CE 3.72Å; F22-M26 HydrophobicContact CD1-SD 4.46Å; F22-M26 HydrophobicContact CE1-CE 3.29Å; F22-M26 HydrophobicContact CE1-SD 3.72Å; F22-M26 HydrophobicContact CE2-CG 4.17Å; F22-M26 HydrophobicContact CE2-SD 4.06Å; F22-M26 HydrophobicContact CG-CE 4.49Å; F22-M26 HydrophobicContact CZ-CE 3.76Å; F22-M26 HydrophobicContact CZ-CG 4.18Å; F22-M26 HydrophobicContact CZ-SD 3.47Å; F22-M26 WeakPolarHBondContact CZ-SD 3.48Å; F22-M26 WeakPolarHBondContact O-CB 3.48Å; F22-M26 WeakPolarHBondContact O-CG 3.38Å; F22-M26 PolarHBondContact O-N 2.7Å; E23-M26 HydrophobicContact CG-CE 4.39Å; E23-M26 PolarHBondContact O-N 3.39Å
27T54.2Low61.4Low120 Ų12079.9 Ų79.974%0.73645%0.449SS*.Hα-helixtrans-78.9-28.9-178.2-55.90000113.1E23 D24 A25E23-T27 WeakPolarHBondContact O-CB 3.15Å; E23-T27 PolarHBondContact O-N 3.13Å; E23-T27 PolarHBondContact O-OG1 3.15Å; D24-T27 PolarHBondContact O-N 2.88Å; D24-T27 VanDerWaalsContact O-N 3.15Å; A25-T27 PolarHBondContact O-N 3.2Å
28A53.3Low63.8Low90 Ų9081 Ų8174%0.74445%0.45SS*.Hα-helixtrans-99.5-18.4-164.400000117D24 A25D24-A28 WeakPolarHBondContact O-CB 3.22Å; D24-A28 PolarHBondContact O-N 3.44Å; A25-A28 PolarHBondContact O-N 3.34Å
29G60.4Low66.2Low47 Ų4778.5 Ų78.549%0.48543%0.432SS..SBendtrans-134.1-21.2-166.200000118.9
30F69.2Low68.4Low38 Ų3874 Ų7417%0.16742%0.416CS..  trans-95.3112.8-164-66.2-77.2000114.3A25 T36 F64 T65 Y68 M881A25-F30 WeakPolarHBondContact O-CD2 3.45Å; A25-F30 WeakPolarHBondContact O-CE2 3.33Å; F30-T36 HydrophobicContact CB-CG2 4.41Å; F30-T36 WeakPolarHBondContact CB-OG1 3.27Å; F30-T36 HydrophobicContact CD1-CG2 4.38Å; F30-T36 HydrophobicContact CD2-CG2 4.36Å; F30-T36 HydrophobicContact CG-CG2 4.13Å; F30-F64 HydrophobicContact CD1-CE2 4.18Å; F30-F64 AromaticContact CE1-CD2 3.83Å; F30-F64 HydrophobicContact CE1-CD2 3.83Å; F30-F64 AromaticContact CE1-CE2 3.46Å; F30-F64 HydrophobicContact CE1-CE2 3.46Å; F30-F64 VanDerWaalsContact CE1-CE2 3.46Å; F30-F64 HydrophobicContact CZ-CD2 4.29Å; F30-F64 AromaticContact CZ-CE2 3.81Å; F30-F64 HydrophobicContact CZ-CE2 3.81Å; F30-T65 WeakPolarHBondContact CE1-O 3.46Å; F30-Y68 HydrophobicContact CD1-CD1 4.39Å; F30-Y68 AromaticContact CD1-CE1 3.65Å; F30-Y68 HydrophobicContact CD1-CE1 3.65Å; F30-Y68 AromaticContact CD1-CZ 3.79Å; F30-Y68 HydrophobicContact CE1-CE1 4.23Å; F30-M881 HydrophobicContact CZ-CE 4.5Å
31T73.4Confident70.2Confident137 Ų13772.6 Ų72.684%0.8441%0.41SS*.SBendtrans-80.6-14.5-177.554.70000115.6Y68T31-Y68 PolarHBondContact N-OH 2.94Å
32N82.7Confident72Confident69 Ų6969.2 Ų69.237%0.36940%0.395SS..  trans-127.574.6-173.3-174.1-12.4000109.4P34 L35 T36 Y68N32-P34 VanDerWaalsContact C-CD 3.48Å; N32-P34 VanDerWaalsContact C-N 3.31Å; N32-P34 WeakPolarHBondContact OD1-CD 3.42Å; N32-L35 HydrophobicContact CB-CB 4.01Å; N32-L35 VanDerWaalsContact CG-CB 3.43Å; N32-L35 WeakPolarHBondContact O-CA 3.26Å; N32-L35 WeakPolarHBondContact O-CB 3.49Å; N32-L35 PolarHBondContact O-N 3.1Å; N32-L35 PolarHBondContact OD1-N 2.82Å; N32-T36 PolarHBondContact O-N 3.13Å; N32-T36 PolarHBondContact O-OG1 2.86Å; N32-Y68 HydrophobicContact CB-CE2 4.27Å; N32-Y68 PolarHBondContact N-OH 2.83Å; N32-Y68 PolarHBondContact O-OH 2.81Å
33H82.2Confident74.1Confident145 Ų14570 Ų7067%0.67140%0.399SS*.Hα-helixtrans-51.9-38.7-178.8-174-37.9000114T36 H37H33-T36 PolarHBondContact O-N 2.94Å; H33-H37 WeakPolarHBondContact O-CB 3.18Å; H33-H37 PolarHBondContact O-N 3.09Å
34P85.3Confident75.7Confident79 Ų7967.3 Ų67.351%0.51340%0.403SS..Hα-helixtrans-57.8-46.8171.3-27.235.7000113.3N32 H37 Y38N32-P34 VanDerWaalsContact C-CD 3.48Å; N32-P34 VanDerWaalsContact C-N 3.31Å; N32-P34 WeakPolarHBondContact OD1-CD 3.42Å; P34-H37 PolarHBondContact O-N 2.9Å; P34-Y38 WeakPolarHBondContact O-CD2 3.48Å; P34-Y38 PolarHBondContact O-N 3.08Å
35L86Confident77.5Confident5 Ų563.6 Ų63.63%0.02639%0.386CS..Hα-helixtrans-63-45.9176.7176.458.3000111.8N32 H37 Y38 L39 Y68 F101 F594N32-L35 HydrophobicContact CB-CB 4.01Å; N32-L35 VanDerWaalsContact CG-CB 3.43Å; N32-L35 WeakPolarHBondContact O-CA 3.26Å; N32-L35 WeakPolarHBondContact O-CB 3.49Å; N32-L35 PolarHBondContact O-N 3.1Å; N32-L35 PolarHBondContact OD1-N 2.82Å; L35-H37 VanDerWaalsContact C-N 3.31Å; L35-H37 PolarHBondContact O-N 3.01Å; L35-Y38 PolarHBondContact O-N 3.04Å; L35-L39 HydrophobicContact CD1-CD1 3.77Å; L35-L39 HydrophobicContact CD1-CG 3.88Å; L35-L39 HydrophobicContact CG-CD1 3.91Å; L35-L39 HydrophobicContact CG-CG 4.41Å; L35-L39 WeakPolarHBondContact O-CG 3.33Å; L35-L39 PolarHBondContact O-N 3.16Å; L35-Y68 HydrophobicContact CB-CE1 4.31Å; L35-Y68 HydrophobicContact CD2-CD1 3.62Å; L35-Y68 HydrophobicContact CD2-CD2 3.84Å; L35-Y68 HydrophobicContact CD2-CE1 3.87Å; L35-Y68 HydrophobicContact CD2-CE2 4.11Å; L35-Y68 HydrophobicContact CD2-CG 3.59Å; L35-Y68 HydrophobicContact CG-CD1 3.78Å; L35-Y68 HydrophobicContact CG-CE1 3.87Å; L35-Y68 HydrophobicContact CG-CG 4.27Å; L35-F101 HydrophobicContact CD2-CE2 3.83Å; L35-F101 HydrophobicContact CD2-CZ 3.67Å; L35-F594 HydrophobicContact CD1-CE1 3.55Å; L35-F594 HydrophobicContact CD1-CZ 3.62Å
36T88.7Confident79.4Confident12 Ų1265.7 Ų65.77%0.07440%0.399CS..Hα-helixtrans-55.5-47.1175.9-49.90000111.1F30 N32 H33 L39 V40 F64 Y68F30-T36 HydrophobicContact CB-CG2 4.41Å; F30-T36 WeakPolarHBondContact CB-OG1 3.27Å; F30-T36 HydrophobicContact CD1-CG2 4.38Å; F30-T36 HydrophobicContact CD2-CG2 4.36Å; F30-T36 HydrophobicContact CG-CG2 4.13Å; N32-T36 PolarHBondContact O-N 3.13Å; N32-T36 PolarHBondContact O-OG1 2.86Å; H33-T36 PolarHBondContact O-N 2.94Å; T36-L39 PolarHBondContact O-N 2.85Å; T36-V40 HydrophobicContact CG2-CG2 4.49Å; T36-V40 WeakPolarHBondContact O-CB 3.18Å; T36-V40 VanDerWaalsContact O-CG2 3.3Å; T36-V40 WeakPolarHBondContact O-CG2 3.38Å; T36-V40 PolarHBondContact O-N 2.71Å; T36-F64 HydrophobicContact CG2-CE2 4.17Å; T36-F64 HydrophobicContact CG2-CZ 4Å; T36-Y68 WeakPolarHBondContact OG1-CE1 3.49Å; T36-Y68 PolarHBondContact OG1-OH 2.69Å
37H86Confident81.3Confident106 Ų10662.4 Ų62.449%0.49138%0.383SS..Hα-helixtrans-59.9-49.2177.9179.7-78.1000111.8H33 P34 L35 L39 V40 C41H33-H37 WeakPolarHBondContact O-CB 3.18Å; H33-H37 PolarHBondContact O-N 3.09Å; P34-H37 PolarHBondContact O-N 2.9Å; L35-H37 VanDerWaalsContact C-N 3.31Å; L35-H37 PolarHBondContact O-N 3.01Å; H37-L39 PolarHBondContact O-N 3.1Å; H37-V40 PolarHBondContact O-N 3.5Å; H37-C41 VanDerWaalsContact CE1-SG 3.52Å; H37-C41 PolarHBondContact O-N 2.99Å; H37-C41 PolarHBondContact O-SG 3.46Å
38Y86.5Confident83.1Confident105 Ų10558.9 Ų58.941%0.41236%0.356SS..Hα-helixtrans-60.5-44.4177.5-71.2-58.4000112.5P34 L35 C41 L42 V596 V598P34-Y38 WeakPolarHBondContact O-CD2 3.48Å; P34-Y38 PolarHBondContact O-N 3.08Å; L35-Y38 PolarHBondContact O-N 3.04Å; Y38-C41 PolarHBondContact O-N 2.9Å; Y38-L42 WeakPolarHBondContact O-CG 3.47Å; Y38-L42 PolarHBondContact O-N 2.88Å; Y38-L42 VanDerWaalsContact O-N 3.09Å; Y38-V596 HydrophobicContact CD1-CG1 4.41Å; Y38-V596 HydrophobicContact CD2-CB 4.39Å; Y38-V596 HydrophobicContact CD2-CG2 3.99Å; Y38-V596 HydrophobicContact CG-CB 4.45Å; Y38-V596 HydrophobicContact CG-CG1 4.21Å; Y38-V596 HydrophobicContact CG-CG2 4.24Å; Y38-V598 HydrophobicContact CD1-CG2 3.95Å; Y38-V598 HydrophobicContact CE1-CG2 3.94Å
39L89.8Confident84.9Confident4 Ų454.6 Ų54.62%0.02132%0.321CS..Hα-helixtrans-66.2-39.3179.8-69.1173.6000112.3L35 T36 H37 L42 M43 L61 F64 Y68 L70L35-L39 HydrophobicContact CD1-CD1 3.77Å; L35-L39 HydrophobicContact CD1-CG 3.88Å; L35-L39 HydrophobicContact CG-CD1 3.91Å; L35-L39 HydrophobicContact CG-CG 4.41Å; L35-L39 WeakPolarHBondContact O-CG 3.33Å; L35-L39 PolarHBondContact O-N 3.16Å; T36-L39 PolarHBondContact O-N 2.85Å; H37-L39 PolarHBondContact O-N 3.1Å; L39-L42 PolarHBondContact O-N 3.34Å; L39-M43 VanDerWaalsContact O-CG 3.3Å; L39-M43 WeakPolarHBondContact O-CG 3.26Å; L39-M43 PolarHBondContact O-N 3.47Å; L39-L61 HydrophobicContact CD2-CD2 4.28Å; L39-F64 HydrophobicContact CB-CD1 3.78Å; L39-F64 HydrophobicContact CB-CE1 3.55Å; L39-F64 HydrophobicContact CB-CG 4.38Å; L39-F64 HydrophobicContact CB-CZ 3.96Å; L39-F64 HydrophobicContact CD1-CD1 4.3Å; L39-F64 HydrophobicContact CD1-CD2 4.11Å; L39-F64 HydrophobicContact CD1-CE2 4.38Å; L39-F64 HydrophobicContact CD1-CG 4.08Å; L39-Y68 HydrophobicContact CD1-CD1 3.77Å; L39-L70 HydrophobicContact CD1-CD2 3.83Å; L39-L70 HydrophobicContact CD2-CD2 3.71Å; L39-L70 HydrophobicContact CG-CD2 4.41Å
40V88.1Confident86.5Confident47 Ų4756.6 Ų56.629%0.28531%0.314SS..Hα-helixtrans-60.6-45.5172.4170.50000111F22 T36 H37 L42 M43 F64F22-V40 HydrophobicContact CZ-CG2 4.47Å; T36-V40 HydrophobicContact CG2-CG2 4.49Å; T36-V40 WeakPolarHBondContact O-CB 3.18Å; T36-V40 VanDerWaalsContact O-CG2 3.3Å; T36-V40 WeakPolarHBondContact O-CG2 3.38Å; T36-V40 PolarHBondContact O-N 2.71Å; H37-V40 PolarHBondContact O-N 3.5Å; V40-L42 PolarHBondContact O-N 3.2Å; V40-M43 WeakPolarHBondContact O-CB 3.29Å; V40-M43 PolarHBondContact O-N 3.15Å; V40-M43 VanDerWaalsContact O-N 3.15Å; V40-F64 HydrophobicContact CG2-CE1 4.03Å; V40-F64 HydrophobicContact CG2-CZ 3.91Å
41C86.7Confident87.7Confident78 Ų7855.1 Ų55.153%0.52731%0.308SS..Hα-helixtrans-62.9-23.4176-68.10000114.1H37 Y38H37-C41 VanDerWaalsContact CE1-SG 3.52Å; H37-C41 PolarHBondContact O-N 2.99Å; H37-C41 PolarHBondContact O-SG 3.46Å; Y38-C41 PolarHBondContact O-N 2.9Å
42L88.4Confident88.6Confident19 Ų1951.6 Ų51.610%0.09929%0.289CS..Hα-helixtrans-92.8-5.1177.2-66.2-174.6000113.7Y38 L39 V40 G44 S45 V47 L61 V107 A109Y38-L42 WeakPolarHBondContact O-CG 3.47Å; Y38-L42 PolarHBondContact O-N 2.88Å; Y38-L42 VanDerWaalsContact O-N 3.09Å; L39-L42 PolarHBondContact O-N 3.34Å; V40-L42 PolarHBondContact O-N 3.2Å; L42-G44 PolarHBondContact O-N 3.1Å; L42-S45 VanDerWaalsContact O-CB 3.25Å; L42-S45 WeakPolarHBondContact O-CB 3.31Å; L42-S45 PolarHBondContact O-N 2.61Å; L42-V47 HydrophobicContact CB-CG1 4.35Å; L42-V47 HydrophobicContact CD1-CG1 4.34Å; L42-L61 HydrophobicContact CB-CD2 3.74Å; L42-V107 HydrophobicContact CD1-CG1 4.12Å; L42-A109 HydrophobicContact CD1-CB 4.15Å; L42-A109 HydrophobicContact CD2-CB 3.38Å; L42-A109 HydrophobicContact CG-CB 4.37Å
43M88.9Confident88.9Confident37 Ų3753.9 Ų53.918%0.18230%0.301CS..THydrogen-bonded Turntrans-63.1134.9178.8-68.1-164.558.900111.5L39 V40 S45 L61 A62 G63 F64 Y883L39-M43 VanDerWaalsContact O-CG 3.3Å; L39-M43 WeakPolarHBondContact O-CG 3.26Å; L39-M43 PolarHBondContact O-N 3.47Å; V40-M43 WeakPolarHBondContact O-CB 3.29Å; V40-M43 PolarHBondContact O-N 3.15Å; V40-M43 VanDerWaalsContact O-N 3.15Å; M43-S45 PolarHBondContact O-N 2.75Å; M43-L61 HydrophobicContact CG-CD2 4.47Å; M43-A62 WeakPolarHBondContact CE-O 3.32Å; M43-G63 VanDerWaalsContact CE-CA 3.43Å; M43-F64 HydrophobicContact SD-CD1 4.4Å; M43-F64 HydrophobicContact SD-CE1 4.11Å; M43-Y883 HydrophobicContact CE-CD2 3.26Å; M43-Y883 HydrophobicContact CE-CE2 3.73Å; M43-Y883 HydrophobicContact CE-CG 4Å; M43-Y883 HydrophobicContact SD-CD2 4.21Å; M43-Y883 HydrophobicContact SD-CE2 4.06Å
44G87.7Confident89.1Confident61 Ų6155 Ų5563%0.62930%0.304SS*.THydrogen-bonded Turntrans77.2-6.5-172.600000114.9L42 V60 L61L42-G44 PolarHBondContact O-N 3.1Å; G44-V60 WeakPolarHBondContact O-CG1 3.21Å; G44-L61 PolarHBondContact N-O 3.22Å
45S88Confident89.4Confident37 Ų3755.5 Ų55.526%0.25930%0.302SS..SBendtrans-88.1151.7176.6-58.90000112L42 M43 V47 V60 L61L42-S45 VanDerWaalsContact O-CB 3.25Å; L42-S45 WeakPolarHBondContact O-CB 3.31Å; L42-S45 PolarHBondContact O-N 2.61Å; M43-S45 PolarHBondContact O-N 2.75Å; S45-V47 PolarHBondContact O-N 2.91Å; S45-V60 WeakPolarHBondContact O-CA 3.41Å; S45-L61 PolarHBondContact O-N 2.76Å
46S90.2Very high89.6Confident72 Ų7256 Ų5650%0.50331%0.305SS..EExtended strand (participates in β ladder)trans-69.5120.1167.8-60.70000110.5V110S46-V110 PolarHBondContact O-N 3.3Å
47V91.4Very high89.8Confident2 Ų256.9 Ų56.91%0.01231%0.307CS..EExtended strand (participates in β ladder)trans-122.9143.9-179-63.30000111.6L42 S45 I49 D58 G59 L61 L72 V107 Q108 A109L42-V47 HydrophobicContact CB-CG1 4.35Å; L42-V47 HydrophobicContact CD1-CG1 4.34Å; S45-V47 PolarHBondContact O-N 2.91Å; V47-I49 HydrophobicContact CG2-CD1 4.16Å; V47-I49 HydrophobicContact CG2-CG1 4.12Å; V47-D58 WeakPolarHBondContact O-CA 3.34Å; V47-G59 WeakPolarHBondContact CG2-O 3.44Å; V47-G59 PolarHBondContact N-O 3.31Å; V47-G59 PolarHBondContact O-N 2.8Å; V47-G59 VanDerWaalsContact O-O 3.12Å; V47-L61 HydrophobicContact CG1-CB 4.17Å; V47-L61 HydrophobicContact CG2-CB 3.9Å; V47-L72 HydrophobicContact CG2-CD2 3.46Å; V47-L72 VanDerWaalsContact CG2-CD2 3.46Å; V47-V107 HydrophobicContact CB-CG1 4.18Å; V47-V107 HydrophobicContact CG1-CG1 4.26Å; V47-Q108 CarbonylContact C-O 3.34Å; V47-Q108 WeakPolarHBondContact CA-O 3.42Å; V47-Q108 WeakPolarHBondContact CB-O 3.43Å; V47-A109 HydrophobicContact CG1-CB 4.13Å
48R91.6Very high90Very high46 Ų4652.9 Ų52.917%0.17429%0.289CS..EExtended strand (participates in β ladder)trans-109.2112175.7171.7163-69.8-172.84108L56 D58 Q108R48-L56 HydrophobicContact CG-CD1 3.62Å; R48-L56 HydrophobicContact CG-CD2 4.34Å; R48-L56 HydrophobicContact CG-CG 4.06Å; R48-D58 WeakPolarHBondContact CA-OD1 3.5Å; R48-D58 WeakPolarHBondContact CB-OD1 3.29Å; R48-D58 WeakPolarHBondContact CG-OD1 3.42Å; R48-D58 IonicContact CZ-OD1 2.86Å; R48-D58 IonicContact CZ-OD2 2.99Å; R48-D58 VanDerWaalsContact CZ-OD2 3.26Å; R48-D58 VanDerWaalsContact NE-CG 3.33Å; R48-D58 IonicContact NE-OD1 3.14Å; R48-D58 PolarHBondContact NE-OD1 3.23Å; R48-D58 IonicContact NE-OD2 3.81Å; R48-D58 PolarHBondContact NE-OD2 3.46Å; R48-D58 IonicContact NH2-OD1 3.75Å; R48-D58 IonicContact NH2-OD2 3.26Å; R48-D58 PolarHBondContact NH2-OD2 3.29Å; R48-Q108 HydrophobicContact CB-CB 4.3Å; R48-Q108 PolarHBondContact N-O 3.38Å; R48-Q108 PolarHBondContact O-N 3.41Å
49I92.6Very high90.2Very high0 Ų048.3 Ų48.30%027%0.273CS..EExtended strand (participates in β ladder)trans-110.9119.4-173.8-58.4-163.3000110.1V47 Y57 L70 L72 I99 V104 V107V47-I49 HydrophobicContact CG2-CD1 4.16Å; V47-I49 HydrophobicContact CG2-CG1 4.12Å; I49-Y57 PolarHBondContact N-O 3.5Å; I49-Y57 PolarHBondContact O-N 3.42Å; I49-L70 HydrophobicContact CD1-CB 4.26Å; I49-L70 HydrophobicContact CD1-CD1 3.66Å; I49-L72 HydrophobicContact CD1-CD1 4Å; I49-L72 HydrophobicContact CD1-CD2 3.85Å; I49-L72 HydrophobicContact CD1-CG 4.21Å; I49-L72 HydrophobicContact CG1-CD1 4.34Å; I49-I99 HydrophobicContact CB-CD1 4.2Å; I49-I99 HydrophobicContact CD1-CD1 4.46Å; I49-I99 HydrophobicContact CG2-CD1 3.95Å; I49-I99 HydrophobicContact CG2-CG2 4.45Å; I49-V104 HydrophobicContact CG2-CG1 4.29Å; I49-V104 HydrophobicContact CG2-CG2 4.43Å; I49-V107 HydrophobicContact CD1-CG1 4.45Å; I49-V107 HydrophobicContact CD1-CG2 4.17Å; I49-V107 HydrophobicContact CG1-CG1 4.26Å; I49-V107 HydrophobicContact CG1-CG2 4.24Å
50R93.2Very high90.3Very high90 Ų9050.2 Ų50.234%0.3429%0.285SS..EExtended strand (participates in β ladder)trans-94129173.4-165.5-176.5-158.7119.121.1109.9L56 E81 V105 S106R50-L56 HydrophobicContact CB-CD1 4.06Å; R50-L56 HydrophobicContact CG-CD1 4.43Å; R50-E81 IonicContact CZ-OE1 2.7Å; R50-E81 IonicContact NH1-OE1 3.07Å; R50-E81 PolarHBondContact NH1-OE1 3.21Å; R50-E81 IonicContact NH1-OE2 2.69Å; R50-E81 IonicContact NH2-OE1 2.66Å; R50-E81 PolarHBondContact NH2-OE1 3.15Å; R50-V105 PolarHBondContact O-N 2.9Å; R50-S106 WeakPolarHBondContact CB-OG 3.37Å; R50-S106 PolarHBondContact N-O 3.49Å; R50-S106 PolarHBondContact O-N 2.92Å
51T93.5Very high90.6Very high7 Ų748 Ų484%0.04327%0.272CS..EExtended strand (participates in β ladder)trans-98.5165.6177.367.20000113.9D53 K54 L55 Y57 I99 S103T51-D53 PolarHBondContact O-N 3.33Å; T51-K54 WeakPolarHBondContact O-CA 3.26Å; T51-K54 PolarHBondContact O-N 3.29Å; T51-L55 PolarHBondContact N-O 3.14Å; T51-L55 PolarHBondContact OG1-N 3.25Å; T51-L55 PolarHBondContact OG1-O 3.35Å; T51-Y57 HydrophobicContact CG2-CD2 3.95Å; T51-Y57 HydrophobicContact CG2-CE2 3.85Å; T51-I99 HydrophobicContact CG2-CG2 3.97Å; T51-S103 CarbonylContact C-O 3.59Å; T51-S103 WeakPolarHBondContact CA-O 3.38Å; T51-S103 WeakPolarHBondContact CB-O 3.08Å
52S92.6Very high90.8Very high62 Ų6244.9 Ų44.943%0.43425%0.252SS..THydrogen-bonded Turntrans-50.1-36.1171.348.90000112.5K54 S103S52-K54 PolarHBondContact O-N 3.49Å; S52-S103 PolarHBondContact N-O 3.38Å
53D89.9Confident90.9Very high117 Ų11744.1 Ų44.163%0.62625%0.248SC*.THydrogen-bonded Turntrans-816.4-175.4-49.6-7.7000111.2T51 L55T51-D53 PolarHBondContact O-N 3.33Å; D53-L55 HydrophobicContact CB-CG 4.37Å; D53-L55 PolarHBondContact O-N 2.97Å
54K86.8Confident91Very high169 Ų16942.4 Ų42.474%0.73524%0.24SC*.SBendtrans66.72.4-175.9-52.2178.5-176.51780115.3T51 S52T51-K54 WeakPolarHBondContact O-CA 3.26Å; T51-K54 PolarHBondContact O-N 3.29Å; S52-K54 PolarHBondContact O-N 3.49Å
55L90.3Very high91Very high89 Ų8939.7 Ų39.747%0.46621%0.211SC..  trans-70141.9174.8-56.7176.7000110.3T51 D53 Y57T51-L55 PolarHBondContact N-O 3.14Å; T51-L55 PolarHBondContact OG1-N 3.25Å; T51-L55 PolarHBondContact OG1-O 3.35Å; D53-L55 HydrophobicContact CB-CG 4.37Å; D53-L55 PolarHBondContact O-N 2.97Å; L55-Y57 HydrophobicContact CB-CE2 3.84Å; L55-Y57 VanDerWaalsContact CD1-OH 3.31Å; L55-Y57 WeakPolarHBondContact CD1-OH 3.29Å
56L91.5Very high90.6Very high17 Ų1739.9 Ų39.99%0.08922%0.219CC..EExtended strand (participates in β ladder)trans-111.7133179.8-16663.3000108.7R48 R50 P77 V78 E81R48-L56 HydrophobicContact CG-CD1 3.62Å; R48-L56 HydrophobicContact CG-CD2 4.34Å; R48-L56 HydrophobicContact CG-CG 4.06Å; R50-L56 HydrophobicContact CB-CD1 4.06Å; R50-L56 HydrophobicContact CG-CD1 4.43Å; L56-P77 WeakPolarHBondContact O-CA 3.48Å; L56-V78 HydrophobicContact CB-CB 4.16Å; L56-V78 HydrophobicContact CD2-CB 3.95Å; L56-V78 HydrophobicContact CD2-CG1 3.94Å; L56-V78 HydrophobicContact CG-CB 4.1Å; L56-V78 PolarHBondContact O-N 2.97Å; L56-E81 HydrophobicContact CD2-CG 4.01Å
57Y91.6Very high90.3Very high30 Ų3041.5 Ų41.512%0.11822%0.222CC..EExtended strand (participates in β ladder)trans-130.1123.5-180-63.2-69.5000110.9I49 T51 L55 H76 P77 K97 I99I49-Y57 PolarHBondContact N-O 3.5Å; I49-Y57 PolarHBondContact O-N 3.42Å; T51-Y57 HydrophobicContact CG2-CD2 3.95Å; T51-Y57 HydrophobicContact CG2-CE2 3.85Å; L55-Y57 HydrophobicContact CB-CE2 3.84Å; L55-Y57 VanDerWaalsContact CD1-OH 3.31Å; L55-Y57 WeakPolarHBondContact CD1-OH 3.29Å; Y57-H76 WeakPolarHBondContact CA-O 3.48Å; Y57-P77 HydrophobicContact CD1-CB 4.3Å; Y57-P77 HydrophobicContact CE1-CB 4.1Å; Y57-K97 PolarHBondContact OH-NZ 3.03Å; Y57-I99 HydrophobicContact CD2-CD1 3.76Å; Y57-I99 HydrophobicContact CG-CD1 4.17Å
58D91.4Very high90.1Very high22 Ų2242 Ų4212%0.11822%0.224CC..EExtended strand (participates in β ladder)trans-104.9137.6173.9-81.828.3000109.6V47 R48 V75 H76 V78V47-D58 WeakPolarHBondContact O-CA 3.34Å; R48-D58 WeakPolarHBondContact CA-OD1 3.5Å; R48-D58 WeakPolarHBondContact CB-OD1 3.29Å; R48-D58 WeakPolarHBondContact CG-OD1 3.42Å; R48-D58 IonicContact CZ-OD1 2.86Å; R48-D58 IonicContact CZ-OD2 2.99Å; R48-D58 VanDerWaalsContact CZ-OD2 3.26Å; R48-D58 VanDerWaalsContact NE-CG 3.33Å; R48-D58 IonicContact NE-OD1 3.14Å; R48-D58 PolarHBondContact NE-OD1 3.23Å; R48-D58 IonicContact NE-OD2 3.81Å; R48-D58 PolarHBondContact NE-OD2 3.46Å; R48-D58 IonicContact NH2-OD1 3.75Å; R48-D58 IonicContact NH2-OD2 3.26Å; R48-D58 PolarHBondContact NH2-OD2 3.29Å; D58-V75 CarbonylContact O-C 3.55Å; D58-V75 VanDerWaalsContact O-CA 3.3Å; D58-V75 WeakPolarHBondContact O-CA 3.33Å; D58-H76 WeakPolarHBondContact CB-CE1 3.34Å; D58-H76 PolarHBondContact N-O 2.96Å; D58-H76 PolarHBondContact O-N 3.47Å; D58-H76 PolarHBondContact O-ND1 3.42Å; D58-V78 HydrophobicContact CB-CG2 3.81Å
59G90.9Very high90.2Very high8 Ų841.1 Ų41.18%0.08222%0.222CC..EExtended strand (participates in β ladder)trans177.2179.2179.100000112.1V47 R73V47-G59 WeakPolarHBondContact CG2-O 3.44Å; V47-G59 PolarHBondContact N-O 3.31Å; V47-G59 PolarHBondContact O-N 2.8Å; V47-G59 VanDerWaalsContact O-O 3.12Å; G59-R73 CarbonylContact C-O 3.53Å; G59-R73 WeakPolarHBondContact CA-O 3.42Å
60V92Very high90.2Very high44 Ų4441.2 Ų41.227%0.26722%0.223SC..EExtended strand (participates in β ladder)trans-90.8127.8-179.6-179.20000110.3G44 S45 A62 L72 R73G44-V60 WeakPolarHBondContact O-CG1 3.21Å; S45-V60 WeakPolarHBondContact O-CA 3.41Å; V60-A62 PolarHBondContact O-N 2.91Å; V60-A62 VanDerWaalsContact O-N 3.14Å; V60-L72 CarbonylContact O-C 3.51Å; V60-L72 WeakPolarHBondContact O-CA 3.39Å; V60-R73 HydrophobicContact CB-CB 4.46Å; V60-R73 PolarHBondContact N-O 3.48Å; V60-R73 PolarHBondContact O-N 2.8Å
61L93.3Very high90.2Very high1 Ų137.5 Ų37.51%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-69.6109.7178-174.164000110.7L39 L42 M43 G44 S45 V47 L70 L72L39-L61 HydrophobicContact CD2-CD2 4.28Å; L42-L61 HydrophobicContact CB-CD2 3.74Å; M43-L61 HydrophobicContact CG-CD2 4.47Å; G44-L61 PolarHBondContact N-O 3.22Å; S45-L61 PolarHBondContact O-N 2.76Å; V47-L61 HydrophobicContact CG1-CB 4.17Å; V47-L61 HydrophobicContact CG2-CB 3.9Å; L61-L70 HydrophobicContact CD1-CB 4.33Å; L61-L70 HydrophobicContact CD1-CD2 4.48Å; L61-L72 HydrophobicContact CB-CD2 4.38Å; L61-L72 HydrophobicContact CD1-CD2 3.96Å
62A92Very high90.2Very high13 Ų1337.2 Ų37.211%0.10721%0.211CC..EExtended strand (participates in β ladder)trans-93.7-17.5-175.700000113.9M43 V60 G71 R73M43-A62 WeakPolarHBondContact CE-O 3.32Å; V60-A62 PolarHBondContact O-N 2.91Å; V60-A62 VanDerWaalsContact O-N 3.14Å; A62-G71 WeakPolarHBondContact CB-O 3.48Å; A62-G71 PolarHBondContact N-O 2.85Å; A62-R73 HydrophobicContact CB-CB 4.41Å; A62-R73 HydrophobicContact CB-CG 3.79Å
63G90.6Very high90.1Very high2 Ų238.1 Ų38.12%0.02121%0.205CC..EExtended strand (participates in β ladder)trans154.1-171174.800000112.8M43 G71 M881M43-G63 VanDerWaalsContact CE-CA 3.43Å; G63-G71 PolarHBondContact N-O 3.41Å; G63-G71 PolarHBondContact O-N 3.38Å; G63-M881 WeakPolarHBondContact CA-O 3.34Å
64F91.1Very high90.1Very high1 Ų138.2 Ų38.20%0.00420%0.202CC..EExtended strand (participates in β ladder)trans-149.9162.3-177.956.8-82.3000112.9F30 T36 L39 V40 M43 Y68 D69 L70 M881F30-F64 HydrophobicContact CD1-CE2 4.18Å; F30-F64 AromaticContact CE1-CD2 3.83Å; F30-F64 HydrophobicContact CE1-CD2 3.83Å; F30-F64 AromaticContact CE1-CE2 3.46Å; F30-F64 HydrophobicContact CE1-CE2 3.46Å; F30-F64 VanDerWaalsContact CE1-CE2 3.46Å; F30-F64 HydrophobicContact CZ-CD2 4.29Å; F30-F64 AromaticContact CZ-CE2 3.81Å; F30-F64 HydrophobicContact CZ-CE2 3.81Å; T36-F64 HydrophobicContact CG2-CE2 4.17Å; T36-F64 HydrophobicContact CG2-CZ 4Å; L39-F64 HydrophobicContact CB-CD1 3.78Å; L39-F64 HydrophobicContact CB-CE1 3.55Å; L39-F64 HydrophobicContact CB-CG 4.38Å; L39-F64 HydrophobicContact CB-CZ 3.96Å; L39-F64 HydrophobicContact CD1-CD1 4.3Å; L39-F64 HydrophobicContact CD1-CD2 4.11Å; L39-F64 HydrophobicContact CD1-CE2 4.38Å; L39-F64 HydrophobicContact CD1-CG 4.08Å; V40-F64 HydrophobicContact CG2-CE1 4.03Å; V40-F64 HydrophobicContact CG2-CZ 3.91Å; M43-F64 HydrophobicContact SD-CD1 4.4Å; M43-F64 HydrophobicContact SD-CE1 4.11Å; F64-Y68 HydrophobicContact CD2-CD1 4.1Å; F64-Y68 HydrophobicContact CE2-CD1 4.24Å; F64-Y68 HydrophobicContact CE2-CE1 4.4Å; F64-D69 CarbonylContact C-O 3.58Å; F64-D69 WeakPolarHBondContact CA-O 3.37Å; F64-D69 WeakPolarHBondContact CB-O 3.47Å; F64-L70 HydrophobicContact CB-CD2 3.89Å; F64-M881 WeakPolarHBondContact O-CB 3.47Å
65T86.8Confident90.3Very high5 Ų530.1 Ų30.13%0.03117%0.168CC..  trans-88.3170.1175.869.20000112.2F30 N67 Y68 D69 Y880F30-T65 WeakPolarHBondContact CE1-O 3.46Å; T65-N67 PolarHBondContact O-N 2.99Å; T65-N67 VanDerWaalsContact O-N 3.15Å; T65-N67 PolarHBondContact OG1-N 3.18Å; T65-Y68 WeakPolarHBondContact O-CA 3.42Å; T65-Y68 PolarHBondContact O-N 3.2Å; T65-Y68 PolarHBondContact OG1-N 2.76Å; T65-D69 HydrophobicContact CG2-CB 3.87Å; T65-D69 PolarHBondContact N-O 3.44Å; T65-D69 WeakPolarHBondContact OG1-CB 3.49Å; T65-D69 VanDerWaalsContact OG1-CG 3.3Å; T65-D69 PolarHBondContact OG1-N 2.89Å; T65-D69 PolarHBondContact OG1-OD2 3.27Å; T65-Y880 HydrophobicContact CG2-CD1 3.44Å; T65-Y880 VanDerWaalsContact CG2-CD1 3.44Å; T65-Y880 HydrophobicContact CG2-CD2 4.49Å; T65-Y880 HydrophobicContact CG2-CE1 3.25Å; T65-Y880 HydrophobicContact CG2-CE2 4.34Å; T65-Y880 HydrophobicContact CG2-CG 4.08Å
66G80.1Confident90.3Very high41 Ų4127.6 Ų27.642%0.42315%0.153SC..THydrogen-bonded Turntrans-57.4-21.2168.500000114.8Y68G66-Y68 VanDerWaalsContact C-N 3.34Å
67N83.4Confident90.1Very high106 Ų10629.7 Ų29.757%0.56717%0.168SC*.THydrogen-bonded Turntrans-91.66.1174-60.4-34000113T65 D69 F101T65-N67 PolarHBondContact O-N 2.99Å; T65-N67 VanDerWaalsContact O-N 3.15Å; T65-N67 PolarHBondContact OG1-N 3.18Å; N67-D69 VanDerWaalsContact C-N 3.32Å; N67-D69 PolarHBondContact O-N 2.98Å; N67-F101 VanDerWaalsContact O-CB 3.26Å; N67-F101 WeakPolarHBondContact O-CB 3.22Å
68Y87.9Confident89.8Confident13 Ų1329 Ų295%0.05117%0.167CC..  trans65.321.7-172.9-51.7-79.4000115.7F30 T31 N32 L35 T36 L39 F64 T65 G66 L70 F101F30-Y68 HydrophobicContact CD1-CD1 4.39Å; F30-Y68 AromaticContact CD1-CE1 3.65Å; F30-Y68 HydrophobicContact CD1-CE1 3.65Å; F30-Y68 AromaticContact CD1-CZ 3.79Å; F30-Y68 HydrophobicContact CE1-CE1 4.23Å; T31-Y68 PolarHBondContact N-OH 2.94Å; N32-Y68 HydrophobicContact CB-CE2 4.27Å; N32-Y68 PolarHBondContact N-OH 2.83Å; N32-Y68 PolarHBondContact O-OH 2.81Å; L35-Y68 HydrophobicContact CB-CE1 4.31Å; L35-Y68 HydrophobicContact CD2-CD1 3.62Å; L35-Y68 HydrophobicContact CD2-CD2 3.84Å; L35-Y68 HydrophobicContact CD2-CE1 3.87Å; L35-Y68 HydrophobicContact CD2-CE2 4.11Å; L35-Y68 HydrophobicContact CD2-CG 3.59Å; L35-Y68 HydrophobicContact CG-CD1 3.78Å; L35-Y68 HydrophobicContact CG-CE1 3.87Å; L35-Y68 HydrophobicContact CG-CG 4.27Å; T36-Y68 WeakPolarHBondContact OG1-CE1 3.49Å; T36-Y68 PolarHBondContact OG1-OH 2.69Å; L39-Y68 HydrophobicContact CD1-CD1 3.77Å; F64-Y68 HydrophobicContact CD2-CD1 4.1Å; F64-Y68 HydrophobicContact CE2-CD1 4.24Å; F64-Y68 HydrophobicContact CE2-CE1 4.4Å; T65-Y68 WeakPolarHBondContact O-CA 3.42Å; T65-Y68 PolarHBondContact O-N 3.2Å; T65-Y68 PolarHBondContact OG1-N 2.76Å; G66-Y68 VanDerWaalsContact C-N 3.34Å; Y68-L70 VanDerWaalsContact O-CD2 3.29Å; Y68-L70 WeakPolarHBondContact O-CD2 3.19Å; Y68-L70 WeakPolarHBondContact O-CG 3.36Å; Y68-L70 PolarHBondContact O-N 2.8Å; Y68-F101 WeakPolarHBondContact O-CD2 3.46Å
69D92Very high89Confident27 Ų2732 Ų3214%0.14420%0.195CC..PPolyproline II helixtrans-66.9128.7171.8-48.2-61.8000109.3F64 T65 N67 V98 P100 F101F64-D69 CarbonylContact C-O 3.58Å; F64-D69 WeakPolarHBondContact CA-O 3.37Å; F64-D69 WeakPolarHBondContact CB-O 3.47Å; T65-D69 HydrophobicContact CG2-CB 3.87Å; T65-D69 PolarHBondContact N-O 3.44Å; T65-D69 WeakPolarHBondContact OG1-CB 3.49Å; T65-D69 VanDerWaalsContact OG1-CG 3.3Å; T65-D69 PolarHBondContact OG1-N 2.89Å; T65-D69 PolarHBondContact OG1-OD2 3.27Å; N67-D69 VanDerWaalsContact C-N 3.32Å; N67-D69 PolarHBondContact O-N 2.98Å; D69-V98 HydrophobicContact CB-CG1 4.14Å; D69-P100 VanDerWaalsContact OD1-CA 3.22Å; D69-P100 WeakPolarHBondContact OD1-CA 3.43Å; D69-F101 PolarHBondContact OD1-N 3.22Å
70L93.3Very high87.9Confident1 Ų136.6 Ų36.61%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-97.3120.6-165.3-56.5179.9000111.1L39 I49 L61 F64 Y68 V98 I99 V104 V107L39-L70 HydrophobicContact CD1-CD2 3.83Å; L39-L70 HydrophobicContact CD2-CD2 3.71Å; L39-L70 HydrophobicContact CG-CD2 4.41Å; I49-L70 HydrophobicContact CD1-CB 4.26Å; I49-L70 HydrophobicContact CD1-CD1 3.66Å; L61-L70 HydrophobicContact CD1-CB 4.33Å; L61-L70 HydrophobicContact CD1-CD2 4.48Å; F64-L70 HydrophobicContact CB-CD2 3.89Å; Y68-L70 VanDerWaalsContact O-CD2 3.29Å; Y68-L70 WeakPolarHBondContact O-CD2 3.19Å; Y68-L70 WeakPolarHBondContact O-CG 3.36Å; Y68-L70 PolarHBondContact O-N 2.8Å; L70-V98 CarbonylContact O-C 3.54Å; L70-V98 WeakPolarHBondContact O-CA 3.3Å; L70-I99 PolarHBondContact N-O 3.44Å; L70-I99 PolarHBondContact O-N 2.78Å; L70-V104 HydrophobicContact CD1-CG1 4.3Å; L70-V104 HydrophobicContact CD1-CG2 3.97Å; L70-V104 HydrophobicContact CG-CG2 4.5Å; L70-V107 HydrophobicContact CD1-CG2 3.61Å
71G93Very high86.6Confident12 Ų1240.1 Ų40.112%0.12423%0.231CC..EExtended strand (participates in β ladder)trans-91.8117.817400000111.3A62 G63A62-G71 WeakPolarHBondContact CB-O 3.48Å; A62-G71 PolarHBondContact N-O 2.85Å; G63-G71 PolarHBondContact N-O 3.41Å; G63-G71 PolarHBondContact O-N 3.38Å
72L93.6Very high85Confident1 Ų144.9 Ų44.91%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-105.4149.9174.7-60.3-175.3000111.5V47 I49 V60 L61 V75 R96 K97 I99V47-L72 HydrophobicContact CG2-CD2 3.46Å; V47-L72 VanDerWaalsContact CG2-CD2 3.46Å; I49-L72 HydrophobicContact CD1-CD1 4Å; I49-L72 HydrophobicContact CD1-CD2 3.85Å; I49-L72 HydrophobicContact CD1-CG 4.21Å; I49-L72 HydrophobicContact CG1-CD1 4.34Å; V60-L72 CarbonylContact O-C 3.51Å; V60-L72 WeakPolarHBondContact O-CA 3.39Å; L61-L72 HydrophobicContact CB-CD2 4.38Å; L61-L72 HydrophobicContact CD1-CD2 3.96Å; L72-V75 HydrophobicContact CB-CB 4.39Å; L72-V75 HydrophobicContact CB-CG1 4.09Å; L72-V75 HydrophobicContact CB-CG2 3.42Å; L72-V75 VanDerWaalsContact CB-CG2 3.42Å; L72-V75 HydrophobicContact CD1-CG1 3.75Å; L72-R96 CarbonylContact O-C 3.35Å; L72-R96 VanDerWaalsContact O-CA 3.29Å; L72-R96 WeakPolarHBondContact O-CA 3.49Å; L72-K97 PolarHBondContact N-O 2.59Å; L72-K97 PolarHBondContact O-N 3.43Å; L72-I99 HydrophobicContact CD1-CD1 3.85Å
73R91.6Very high83.5Confident82 Ų8247.2 Ų47.231%0.30928%0.275SS..EExtended strand (participates in β ladder)trans-112.8156166.7-83.3172.1177.51530.4110.3G59 V60 A62 V75 E95 R96 Q882 Y883G59-R73 CarbonylContact C-O 3.53Å; G59-R73 WeakPolarHBondContact CA-O 3.42Å; V60-R73 HydrophobicContact CB-CB 4.46Å; V60-R73 PolarHBondContact N-O 3.48Å; V60-R73 PolarHBondContact O-N 2.8Å; A62-R73 HydrophobicContact CB-CB 4.41Å; A62-R73 HydrophobicContact CB-CG 3.79Å; R73-V75 VanDerWaalsContact C-N 3.33Å; R73-V75 PolarHBondContact O-N 3.19Å; R73-E95 CarbonylContact C-O 3.58Å; R73-E95 VanDerWaalsContact CA-O 3.26Å; R73-E95 WeakPolarHBondContact CA-O 3.46Å; R73-R96 HydrophobicContact CG-CG 3.81Å; R73-Q882 VanDerWaalsContact NH2-CG 3.31Å; R73-Y883 PolarHBondContact NH1-O 3.04Å; R73-Y883 PolarHBondContact NH2-O 3.33Å
74M88.9Confident81.9Confident118 Ų11849.5 Ų49.558%0.58130%0.299SS*.EExtended strand (participates in β ladder)trans5151.2177.1-59.8-57.1-6300112.5E95M74-E95 PolarHBondContact N-O 3Å
75V90.9Very high80.2Confident0 Ų057.2 Ų57.20%034%0.34CS..EExtended strand (participates in β ladder)trans-94.6126.9-164.3-157.80000110.1D58 L72 R73 F94 K97D58-V75 CarbonylContact O-C 3.55Å; D58-V75 VanDerWaalsContact O-CA 3.3Å; D58-V75 WeakPolarHBondContact O-CA 3.33Å; L72-V75 HydrophobicContact CB-CB 4.39Å; L72-V75 HydrophobicContact CB-CG1 4.09Å; L72-V75 HydrophobicContact CB-CG2 3.42Å; L72-V75 VanDerWaalsContact CB-CG2 3.42Å; L72-V75 HydrophobicContact CD1-CG1 3.75Å; R73-V75 VanDerWaalsContact C-N 3.33Å; R73-V75 PolarHBondContact O-N 3.19Å; V75-F94 HydrophobicContact CB-CB 4.35Å; V75-F94 PolarHBondContact N-O 2.99Å; V75-F94 WeakPolarHBondContact O-CD2 3.47Å; V75-F94 PolarHBondContact O-N 3.24Å; V75-K97 HydrophobicContact CB-CB 4.26Å; V75-K97 HydrophobicContact CG1-CB 4.31Å; V75-K97 HydrophobicContact CG1-CD 4.37Å; V75-K97 HydrophobicContact CG2-CB 3.88Å
76H90.2Very high78.9Confident36 Ų3663.5 Ų63.517%0.16737%0.37CS..EExtended strand (participates in β ladder)trans-125.5149.1172.361.6-75.8000110.7Y57 D58 P88Y57-H76 WeakPolarHBondContact CA-O 3.48Å; D58-H76 WeakPolarHBondContact CB-CE1 3.34Å; D58-H76 PolarHBondContact N-O 2.96Å; D58-H76 PolarHBondContact O-N 3.47Å; D58-H76 PolarHBondContact O-ND1 3.42Å; H76-P88 HydrophobicContact CB-CB 3.87Å; H76-P88 HydrophobicContact CB-CG 4.21Å
77P88.6Confident78.5Confident60 Ų6067.5 Ų67.539%0.3939%0.386SS..EExtended strand (participates in β ladder)trans-73.9132.9167.531.7-30.1000109L56 Y57 E92L56-P77 WeakPolarHBondContact O-CA 3.48Å; Y57-P77 HydrophobicContact CD1-CB 4.3Å; Y57-P77 HydrophobicContact CE1-CB 4.1Å; P77-E92 WeakPolarHBondContact CD-O 3.48Å
78V85.2Confident78Confident16 Ų1664.4 Ų64.410%0.09737%0.372CS..EExtended strand (participates in β ladder)trans-95.8123.8171.3-179.60000107.7L56 D58 D80L56-V78 HydrophobicContact CB-CB 4.16Å; L56-V78 HydrophobicContact CD2-CB 3.95Å; L56-V78 HydrophobicContact CD2-CG1 3.94Å; L56-V78 HydrophobicContact CG-CB 4.1Å; L56-V78 PolarHBondContact O-N 2.97Å; D58-V78 HydrophobicContact CB-CG2 3.81Å; V78-D80 VanDerWaalsContact CG1-O 3.31Å; V78-D80 WeakPolarHBondContact CG1-O 3.3Å
79A74.2Confident77.4Confident86 Ų8666.8 Ų66.871%0.71139%0.388SS*.SBendtrans-72.7-52.4-173.600000112.1
80D68.2Low76.7Confident103 Ų10375.2 Ų75.255%0.55142%0.418SS*.SBendtrans-126.6148.2177-83.8-57.4000111.4V78 S82 D83V78-D80 VanDerWaalsContact CG1-O 3.31Å; V78-D80 WeakPolarHBondContact CG1-O 3.3Å; D80-S82 PolarHBondContact O-N 2.96Å; D80-D83 PolarHBondContact O-N 3.22Å
81E64.6Low76.1Confident119 Ų11982.4 Ų82.456%0.55645%0.451SS*.THydrogen-bonded Turntrans-61.5-14.3177.4-74.4177.4-148.600113.4R50 L56R50-E81 IonicContact CZ-OE1 2.7Å; R50-E81 IonicContact NH1-OE1 3.07Å; R50-E81 PolarHBondContact NH1-OE1 3.21Å; R50-E81 IonicContact NH1-OE2 2.69Å; R50-E81 IonicContact NH2-OE1 2.66Å; R50-E81 PolarHBondContact NH2-OE1 3.15Å; L56-E81 HydrophobicContact CD2-CG 4.01Å
82S59.8Low75.5Confident101 Ų10186.3 Ų86.371%0.70647%0.467SS*.THydrogen-bonded Turntrans-87.7-14.1175.849.20000115.4D80 G84D80-S82 PolarHBondContact O-N 2.96Å; S82-G84 PolarHBondContact O-N 3.31Å
83D59.3Low75Confident62 Ų6288.3 Ų88.333%0.33248%0.48SS..  trans-77.631.9-176.8-80.2-21.5000113.3D80 D85 M86D80-D83 PolarHBondContact O-N 3.22Å; D83-D85 PolarHBondContact O-N 2.95Å; D83-D85 VanDerWaalsContact O-N 3.09Å; D83-M86 HydrophobicContact CB-CB 4.25Å; D83-M86 HydrophobicContact CB-CG 4.33Å; D83-M86 PolarHBondContact O-N 3.45Å; D83-M86 VanDerWaalsContact O-N 3.15Å
84G56.5Low74.8Confident50 Ų5089.4 Ų89.452%0.51549%0.487SS..THydrogen-bonded Turntrans-60.4-21.5-175.800000115.2S82S82-G84 PolarHBondContact O-N 3.31Å
85D56.3Low74.8Confident163 Ų16389.6 Ų89.687%0.87249%0.487SS*.THydrogen-bonded Turntrans-103.3-3.6-178.6-56.9-38.2000113.4D83 V87D83-D85 PolarHBondContact O-N 2.95Å; D83-D85 VanDerWaalsContact O-N 3.09Å; D85-V87 PolarHBondContact O-N 3.19Å
86M60.1Low74.8Confident136 Ų13695.1 Ų95.167%0.6751%0.508SS*.  trans-81.3108.6179.1-81-73.4178.600110.6D83 P88D83-M86 HydrophobicContact CB-CB 4.25Å; D83-M86 HydrophobicContact CB-CG 4.33Å; D83-M86 PolarHBondContact O-N 3.45Å; D83-M86 VanDerWaalsContact O-N 3.15Å; M86-P88 WeakPolarHBondContact O-CD 3.42Å
87V70.4Confident74.9Confident125 Ų12596.1 Ų96.176%0.75851%0.511SS*.PPolyproline II helixtrans-66.1119.5171.1-178.80000108.7D85D85-V87 PolarHBondContact O-N 3.19Å
88P73.1Confident75.1Confident42 Ų4296.2 Ų96.227%0.27351%0.511SS..PPolyproline II helixtrans-65.5148.8-175.427.9-37.1000111.7H76 M86H76-P88 HydrophobicContact CB-CB 3.87Å; H76-P88 HydrophobicContact CB-CG 4.21Å; M86-P88 WeakPolarHBondContact O-CD 3.42Å
89T76.2Confident75.5Confident63 Ų6395.7 Ų95.739%0.38751%0.507SS..PPolyproline II helixtrans-70.2160.517668.40000111.1E91 E92 C93T89-E91 PolarHBondContact O-N 3.27Å; T89-E92 WeakPolarHBondContact CB-OE2 3.43Å; T89-E92 WeakPolarHBondContact CG2-OE2 3.39Å; T89-E92 PolarHBondContact N-OE2 2.74Å; T89-E92 PolarHBondContact O-N 3.38Å; T89-E92 VanDerWaalsContact OG1-CG 3.29Å; T89-E92 WeakPolarHBondContact OG1-CG 3.44Å; T89-E92 PolarHBondContact OG1-N 3.09Å; T89-E92 PolarHBondContact OG1-OE2 3.02Å; T89-C93 PolarHBondContact O-N 3.23Å; T89-C93 PolarHBondContact O-SG 3.16Å
90R77.6Confident76.4Confident204 Ų20494.4 Ų94.477%0.7749%0.492SS*.THydrogen-bonded Turntrans-65.3-29.5-179.8-175.4178.3177.9-167.4-2.2111.3E92R90-E92 VanDerWaalsContact C-N 3.34Å
91E80Confident77.5Confident151 Ų15192.3 Ų92.371%0.70648%0.478SS*.THydrogen-bonded Turntrans-72.5-26.1-178.8-65.265.4-148.600112.4T89T89-E91 PolarHBondContact O-N 3.27Å
92E80.1Confident78.8Confident95 Ų9592 Ų9244%0.44449%0.489SS..THydrogen-bonded Turntrans-90.3-14.7178-68.9160.6145.500113.2P77 T89 R90 F94P77-E92 WeakPolarHBondContact CD-O 3.48Å; T89-E92 WeakPolarHBondContact CB-OE2 3.43Å; T89-E92 WeakPolarHBondContact CG2-OE2 3.39Å; T89-E92 PolarHBondContact N-OE2 2.74Å; T89-E92 PolarHBondContact O-N 3.38Å; T89-E92 VanDerWaalsContact OG1-CG 3.29Å; T89-E92 WeakPolarHBondContact OG1-CG 3.44Å; T89-E92 PolarHBondContact OG1-N 3.09Å; T89-E92 PolarHBondContact OG1-OE2 3.02Å; R90-E92 VanDerWaalsContact C-N 3.34Å; E92-F94 PolarHBondContact O-N 3.5Å
93C84.2Confident80.3Confident42 Ų4288.1 Ų88.128%0.28446%0.461SS..  trans-85107.6-178.1-70.10000112.9T89T89-C93 PolarHBondContact O-N 3.23Å; T89-C93 PolarHBondContact O-SG 3.16Å
94F87.3Confident81.9Confident105 Ų10585.9 Ų85.946%0.46145%0.45SS..EExtended strand (participates in β ladder)trans-79.8128.1168.5-52.9-79.3000111.1V75 E92 R96V75-F94 HydrophobicContact CB-CB 4.35Å; V75-F94 PolarHBondContact N-O 2.99Å; V75-F94 WeakPolarHBondContact O-CD2 3.47Å; V75-F94 PolarHBondContact O-N 3.24Å; E92-F94 PolarHBondContact O-N 3.5Å; F94-R96 VanDerWaalsContact C-N 3.32Å; F94-R96 PolarHBondContact O-N 3.34Å
95E88.9Confident83.6Confident123 Ų12386.9 Ų86.958%0.57545%0.446SS*.EExtended strand (participates in β ladder)trans-56.8-44178.9-168.5-150.4109.900112.6R73 M74R73-E95 CarbonylContact C-O 3.58Å; R73-E95 VanDerWaalsContact CA-O 3.26Å; R73-E95 WeakPolarHBondContact CA-O 3.46Å; M74-E95 PolarHBondContact N-O 3Å
96R90.5Very high85.3Confident116 Ų11680 Ų8044%0.43841%0.41SS..EExtended strand (participates in β ladder)trans-144.9144.6178.9-82.8177.3-87.8-1771.1111L72 R73 F94L72-R96 CarbonylContact O-C 3.35Å; L72-R96 VanDerWaalsContact O-CA 3.29Å; L72-R96 WeakPolarHBondContact O-CA 3.49Å; R73-R96 HydrophobicContact CG-CG 3.81Å; F94-R96 VanDerWaalsContact C-N 3.32Å; F94-R96 PolarHBondContact O-N 3.34Å
97K91.7Very high86.8Confident57 Ų5773.6 Ų73.625%0.24838%0.379CS..EExtended strand (participates in β ladder)trans-148.1142.7173.4-172.3172.7179.8172.10111Y57 L72 V75Y57-K97 PolarHBondContact OH-NZ 3.03Å; L72-K97 PolarHBondContact N-O 2.59Å; L72-K97 PolarHBondContact O-N 3.43Å; V75-K97 HydrophobicContact CB-CB 4.26Å; V75-K97 HydrophobicContact CG1-CB 4.31Å; V75-K97 HydrophobicContact CG1-CD 4.37Å; V75-K97 HydrophobicContact CG2-CB 3.88Å
98V92.7Very high87.7Confident62 Ų6271.5 Ų71.538%0.37636%0.361SS..EExtended strand (participates in β ladder)trans-103.6135168.8178.30000109.3D69 L70 Y880D69-V98 HydrophobicContact CB-CG1 4.14Å; L70-V98 CarbonylContact O-C 3.54Å; L70-V98 WeakPolarHBondContact O-CA 3.3Å; V98-Y880 HydrophobicContact CB-CE1 4.32Å; V98-Y880 HydrophobicContact CG1-CE1 3.73Å; V98-Y880 HydrophobicContact CG2-CD1 4.26Å; V98-Y880 HydrophobicContact CG2-CE1 3.58Å
99I92.7Very high88.2Confident4 Ų471.1 Ų71.12%0.02136%0.362CS..EExtended strand (participates in β ladder)trans-115.3115.7173.7-59.8177.7000107.6I49 T51 Y57 L70 L72 S103 V104I49-I99 HydrophobicContact CB-CD1 4.2Å; I49-I99 HydrophobicContact CD1-CD1 4.46Å; I49-I99 HydrophobicContact CG2-CD1 3.95Å; I49-I99 HydrophobicContact CG2-CG2 4.45Å; T51-I99 HydrophobicContact CG2-CG2 3.97Å; Y57-I99 HydrophobicContact CD2-CD1 3.76Å; Y57-I99 HydrophobicContact CG-CD1 4.17Å; L70-I99 PolarHBondContact N-O 3.44Å; L70-I99 PolarHBondContact O-N 2.78Å; L72-I99 HydrophobicContact CD1-CD1 3.85Å; I99-S103 WeakPolarHBondContact CG2-OG 3.49Å; I99-V104 HydrophobicContact CG2-CG2 3.82Å
100P93.4Very high88Confident59 Ų5973 Ų7338%0.38337%0.373SS..  trans-69.7142-176.128-33.4000111.2D69 S102 S103D69-P100 VanDerWaalsContact OD1-CA 3.22Å; D69-P100 WeakPolarHBondContact OD1-CA 3.43Å; P100-S102 PolarHBondContact O-N 2.87Å; P100-S102 VanDerWaalsContact O-N 3.16Å; P100-S103 WeakPolarHBondContact CD-OG 3.32Å; P100-S103 WeakPolarHBondContact O-CB 3.3Å; P100-S103 PolarHBondContact O-N 3.18Å; P100-S103 PolarHBondContact O-OG 2.66Å
101F91.5Very high87.4Confident60 Ų6067.2 Ų67.226%0.26336%0.36SS..G310 helixtrans-59.2-35.3-170.5-172.7-115000113.2L35 N67 Y68 D69 S103 V104 F594L35-F101 HydrophobicContact CD2-CE2 3.83Å; L35-F101 HydrophobicContact CD2-CZ 3.67Å; N67-F101 VanDerWaalsContact O-CB 3.26Å; N67-F101 WeakPolarHBondContact O-CB 3.22Å; Y68-F101 WeakPolarHBondContact O-CD2 3.46Å; D69-F101 PolarHBondContact OD1-N 3.22Å; F101-S103 PolarHBondContact O-N 2.94Å; F101-S103 VanDerWaalsContact O-N 3.09Å; F101-V104 PolarHBondContact O-N 3.27Å; F101-F594 HydrophobicContact CE2-CD2 4.15Å; F101-F594 HydrophobicContact CE2-CE2 4.02Å; F101-F594 HydrophobicContact CE2-CZ 4.48Å; F101-F594 HydrophobicContact CZ-CD2 4.29Å; F101-F594 HydrophobicContact CZ-CG 4.45Å
102S91.6Very high86.5Confident113 Ų11363.9 Ų63.979%0.7935%0.347SS*.G310 helixtrans-61.4-15.4175.756.60000114.7P100P100-S102 PolarHBondContact O-N 2.87Å; P100-S102 VanDerWaalsContact O-N 3.16Å
103S93.1Very high85.5Confident18 Ų1863.7 Ų63.713%0.12635%0.347CS..G310 helixtrans-99.2-6.7174.272.60000113.7T51 S52 I99 P100 F101T51-S103 CarbonylContact C-O 3.59Å; T51-S103 WeakPolarHBondContact CA-O 3.38Å; T51-S103 WeakPolarHBondContact CB-O 3.08Å; S52-S103 PolarHBondContact N-O 3.38Å; I99-S103 WeakPolarHBondContact CG2-OG 3.49Å; P100-S103 WeakPolarHBondContact CD-OG 3.32Å; P100-S103 WeakPolarHBondContact O-CB 3.3Å; P100-S103 PolarHBondContact O-N 3.18Å; P100-S103 PolarHBondContact O-OG 2.66Å; F101-S103 PolarHBondContact O-N 2.94Å; F101-S103 VanDerWaalsContact O-N 3.09Å
104V92Very high84.1Confident16 Ų1668 Ų6810%0.09736%0.363CS..EExtended strand (participates in β ladder)trans-84.9122.3-175.4-179.90000110.6I49 L70 I99 F101 V107 F594I49-V104 HydrophobicContact CG2-CG1 4.29Å; I49-V104 HydrophobicContact CG2-CG2 4.43Å; L70-V104 HydrophobicContact CD1-CG1 4.3Å; L70-V104 HydrophobicContact CD1-CG2 3.97Å; L70-V104 HydrophobicContact CG-CG2 4.5Å; I99-V104 HydrophobicContact CG2-CG2 3.82Å; F101-V104 PolarHBondContact O-N 3.27Å; V104-V107 HydrophobicContact CG1-CG2 3.76Å; V104-F594 HydrophobicContact CG1-CD2 4.36Å; V104-F594 HydrophobicContact CG1-CE2 3.98Å
105V92.4Very high82.5Confident70 Ų7066.9 Ų66.942%0.42437%0.365SS..EExtended strand (participates in β ladder)trans-95.7-44.7175.3173.50000111R50R50-V105 PolarHBondContact O-N 2.9Å
106S91.1Very high80.8Confident18 Ų1865.8 Ų65.813%0.12637%0.366CS..EExtended strand (participates in β ladder)trans-152.8143.7176.660.90000111.5R50R50-S106 WeakPolarHBondContact CB-OG 3.37Å; R50-S106 PolarHBondContact N-O 3.49Å; R50-S106 PolarHBondContact O-N 2.92Å
107V91.4Very high79.1Confident3 Ų365.6 Ų65.62%0.01838%0.378CS..EExtended strand (participates in β ladder)trans-112.5121.5167.2-177.60000107.5L42 V47 I49 L70 V104 F594L42-V107 HydrophobicContact CD1-CG1 4.12Å; V47-V107 HydrophobicContact CB-CG1 4.18Å; V47-V107 HydrophobicContact CG1-CG1 4.26Å; I49-V107 HydrophobicContact CD1-CG1 4.45Å; I49-V107 HydrophobicContact CD1-CG2 4.17Å; I49-V107 HydrophobicContact CG1-CG1 4.26Å; I49-V107 HydrophobicContact CG1-CG2 4.24Å; L70-V107 HydrophobicContact CD1-CG2 3.61Å; V104-V107 HydrophobicContact CG1-CG2 3.76Å; V107-F594 HydrophobicContact CG2-CE2 4.41Å
108Q89.1Confident77.3Confident81 Ų8166.7 Ų66.738%0.37938%0.383SS..EExtended strand (participates in β ladder)trans-111.1147.6171.9-67.5172.6-15.500108.3V47 R48V47-Q108 CarbonylContact C-O 3.34Å; V47-Q108 WeakPolarHBondContact CA-O 3.42Å; V47-Q108 WeakPolarHBondContact CB-O 3.43Å; R48-Q108 HydrophobicContact CB-CB 4.3Å; R48-Q108 PolarHBondContact N-O 3.38Å; R48-Q108 PolarHBondContact O-N 3.41Å
109A85.2Confident75.3Confident34 Ų3471.1 Ų71.128%0.28141%0.405SS..EExtended strand (participates in β ladder)trans-122.2127.2174.300000109.2L42 V47 V111L42-A109 HydrophobicContact CD1-CB 4.15Å; L42-A109 HydrophobicContact CD2-CB 3.38Å; L42-A109 HydrophobicContact CG-CB 4.37Å; V47-A109 HydrophobicContact CG1-CB 4.13Å; A109-V111 VanDerWaalsContact C-N 3.25Å; A109-V111 HydrophobicContact CB-CG2 4.11Å; A109-V111 PolarHBondContact O-N 3.07Å
110V71Confident73.3Confident103 Ų10375.1 Ų75.162%0.62444%0.438SS*.  trans-85.976.8177.6-173.80000107.8S46 D112S46-V110 PolarHBondContact O-N 3.3Å; V110-D112 PolarHBondContact O-N 3.38Å
111V65.6Low71.5Confident82 Ų8282 Ų8250%0.49746%0.462SS..  trans-88.396.8172-175.40000107.8A109 M113 V116A109-V111 VanDerWaalsContact C-N 3.25Å; A109-V111 HydrophobicContact CB-CG2 4.11Å; A109-V111 PolarHBondContact O-N 3.07Å; V111-M113 HydrophobicContact CG1-CG 4.39Å; V111-M113 PolarHBondContact O-N 2.99Å; V111-V116 HydrophobicContact CG1-CG2 4.45Å
112D60.3Low70.3Confident81 Ų8181.9 Ų81.943%0.43347%0.469SS..  trans-67.794.7172.1-176.8-25.6000109.4V110 E114 T115 V116V110-D112 PolarHBondContact O-N 3.38Å; D112-E114 PolarHBondContact O-N 2.81Å; D112-E114 WeakPolarHBondContact OD1-CA 3.02Å; D112-E114 WeakPolarHBondContact OD1-CB 3.07Å; D112-E114 PolarHBondContact OD1-N 2.8Å; D112-T115 HydrophobicContact CB-CG2 4.23Å; D112-T115 PolarHBondContact O-N 2.91Å; D112-T115 PolarHBondContact O-OG1 3.04Å; D112-T115 PolarHBondContact OD1-N 3.06Å; D112-T115 WeakPolarHBondContact OD2-CG2 3.38Å; D112-V116 WeakPolarHBondContact O-CG2 3.47Å; D112-V116 PolarHBondContact O-N 2.82Å
113M60.6Low69Low91 Ų9179.2 Ų79.245%0.44845%0.45SS..Hα-helixtrans-67-16.3179.2-68.2-162.4-65.400113.3V111 T117V111-M113 HydrophobicContact CG1-CG 4.39Å; V111-M113 PolarHBondContact O-N 2.99Å; M113-T117 VanDerWaalsContact O-CB 3.28Å; M113-T117 WeakPolarHBondContact O-CB 3.47Å; M113-T117 VanDerWaalsContact O-CG2 3.25Å; M113-T117 WeakPolarHBondContact O-CG2 3.48Å; M113-T117 PolarHBondContact O-N 2.91Å; M113-T117 PolarHBondContact O-OG1 3.14Å
114E54.9Low67.5Low131 Ų13184.9 Ų84.961%0.61248%0.479SS*.Hα-helixtrans-73.9-39.1173.2-58.8-157.3-176.100110.8D112 V116 K118D112-E114 PolarHBondContact O-N 2.81Å; D112-E114 WeakPolarHBondContact OD1-CA 3.02Å; D112-E114 WeakPolarHBondContact OD1-CB 3.07Å; D112-E114 PolarHBondContact OD1-N 2.8Å; E114-V116 VanDerWaalsContact C-N 3.33Å; E114-K118 WeakPolarHBondContact O-CG 3.13Å; E114-K118 PolarHBondContact O-N 2.83Å
115T52.7Low66.2Low82 Ų8287.9 Ų87.950%0.50350%0.5SS..Hα-helixtrans-70.7-24.5172.366.30000114.1D112D112-T115 HydrophobicContact CB-CG2 4.23Å; D112-T115 PolarHBondContact O-N 2.91Å; D112-T115 PolarHBondContact O-OG1 3.04Å; D112-T115 PolarHBondContact OD1-N 3.06Å; D112-T115 WeakPolarHBondContact OD2-CG2 3.38Å
116V53.3Low64.9Low100 Ų10087.4 Ų87.461%0.60649%0.494SS*.Hα-helixtrans-91.7-26.6-179.6176.50000112.8V111 D112 E114V111-V116 HydrophobicContact CG1-CG2 4.45Å; D112-V116 WeakPolarHBondContact O-CG2 3.47Å; D112-V116 PolarHBondContact O-N 2.82Å; E114-V116 VanDerWaalsContact C-N 3.33Å
117T55.7Low63.4Low113 Ų11390.1 Ų90.169%0.69351%0.507SS*.Hα-helixtrans-93.5-17.5179.158.40000114.2M113M113-T117 VanDerWaalsContact O-CB 3.28Å; M113-T117 WeakPolarHBondContact O-CB 3.47Å; M113-T117 VanDerWaalsContact O-CG2 3.25Å; M113-T117 WeakPolarHBondContact O-CG2 3.48Å; M113-T117 PolarHBondContact O-N 2.91Å; M113-T117 PolarHBondContact O-OG1 3.14Å
118K54Low62.2Low80 Ų8094.2 Ų94.235%0.34854%0.535SS..SBendtrans-82.3131.2158.9-62.5177.5-167.5-176.90107.8E114 E126E114-K118 WeakPolarHBondContact O-CG 3.13Å; E114-K118 PolarHBondContact O-N 2.83Å; K118-E126 WeakPolarHBondContact CE-OE1 3.22Å; K118-E126 IonicContact NZ-OE1 2.72Å; K118-E126 PolarHBondContact NZ-OE1 3.18Å
119N50.4Low60.9Low154 Ų15499.7 Ų99.782%0.82455%0.553SS**PPolyproline II helixtrans-57.9152.4166.7-75.7-11.8000109.1
120A49.8Very low59.7Low88 Ų88103.9 Ų103.973%0.72757%0.569SS**SBendtrans-51.9152.6-173.900000113.4
121F56.3Low58.9Low203 Ų203104.4 Ų104.489%0.8957%0.569SS**  trans77.295.6-165-51.7-73.7000114.5
122C65.4Low58.2Low59 Ų59102.4 Ų102.440%0.39957%0.565SS.*  trans-67.4132153.9-70.10000108.6L127C122-L127 HydrophobicContact CB-CG 4.23Å
123S64.4Low58Low57 Ų57103.5 Ų103.540%0.39958%0.579SS.*  trans-70.9156175.463.80000111.9S125 E126 L127S123-S125 PolarHBondContact O-N 3Å; S123-S125 VanDerWaalsContact O-N 3.07Å; S123-E126 PolarHBondContact N-OE2 3.46Å; S123-E126 WeakPolarHBondContact O-CA 3.45Å; S123-E126 PolarHBondContact O-N 2.85Å; S123-E126 PolarHBondContact OG-N 3.43Å; S123-E126 PolarHBondContact OG-OE2 3.36Å; S123-L127 PolarHBondContact O-N 2.92Å
124D62.9Low57.6Low137 Ų137104.4 Ų104.473%0.73359%0.589SS**Hα-helixtrans-54.7-29.1172.7-73.6-24.3000112.4E126 S128D124-E126 VanDerWaalsContact C-N 3.3Å; D124-E126 PolarHBondContact O-N 3.19Å; D124-S128 WeakPolarHBondContact O-CB 3.31Å; D124-S128 PolarHBondContact O-N 3.39Å
125S63.4Low57.5Low78 Ų78103.3 Ų103.355%0.54560%0.596SS.*Hα-helixtrans-73.3-16.8175.6-69.10000114.3S123 R129S123-S125 PolarHBondContact O-N 3Å; S123-S125 VanDerWaalsContact O-N 3.07Å; S125-R129 VanDerWaalsContact O-CD 3.28Å; S125-R129 WeakPolarHBondContact O-CD 3.36Å; S125-R129 VanDerWaalsContact O-CG 3.31Å; S125-R129 WeakPolarHBondContact O-CG 3.46Å; S125-R129 PolarHBondContact O-NE 3.44Å
126E64.6Low57.6Low60 Ų60106.7 Ų106.728%0.2861%0.607SS.*Hα-helixtrans-94.8-41.5170.7-70.6178.6105.500111.3K118 S123 D124 S128 R129 L130K118-E126 WeakPolarHBondContact CE-OE1 3.22Å; K118-E126 IonicContact NZ-OE1 2.72Å; K118-E126 PolarHBondContact NZ-OE1 3.18Å; S123-E126 PolarHBondContact N-OE2 3.46Å; S123-E126 WeakPolarHBondContact O-CA 3.45Å; S123-E126 PolarHBondContact O-N 2.85Å; S123-E126 PolarHBondContact OG-N 3.43Å; S123-E126 PolarHBondContact OG-OE2 3.36Å; D124-E126 VanDerWaalsContact C-N 3.3Å; D124-E126 PolarHBondContact O-N 3.19Å; E126-S128 VanDerWaalsContact C-N 3.3Å; E126-S128 PolarHBondContact O-N 2.95Å; E126-R129 WeakPolarHBondContact O-CA 3.35Å; E126-R129 WeakPolarHBondContact O-CB 3.31Å; E126-R129 PolarHBondContact O-N 3.37Å; E126-L130 PolarHBondContact O-N 3.44Å
127L61Low58.2Low76 Ų76111.1 Ų111.140%0.39862%0.617SS.*Hα-helixtrans-56.1-45.2171.3-73.7159.6000111C122 S123 R129 L130 N131C122-L127 HydrophobicContact CB-CG 4.23Å; S123-L127 PolarHBondContact O-N 2.92Å; L127-R129 PolarHBondContact O-N 3.42Å; L127-R129 VanDerWaalsContact O-N 3.15Å; L127-L130 PolarHBondContact O-N 3.39Å; L127-N131 WeakPolarHBondContact O-CB 3.19Å; L127-N131 PolarHBondContact O-N 2.93Å; L127-N131 PolarHBondContact O-ND2 3.26Å
128S65.5Low58.8Low89 Ų89116.6 Ų116.662%0.62263%0.626SS**Hα-helixtrans-65.2-12.2174-177.10000114.5D124 E126D124-S128 WeakPolarHBondContact O-CB 3.31Å; D124-S128 PolarHBondContact O-N 3.39Å; E126-S128 VanDerWaalsContact C-N 3.3Å; E126-S128 PolarHBondContact O-N 2.95Å
129R62.3Low59.7Low196 Ų196120.7 Ų120.774%0.7465%0.65SS**Hα-helixtrans-96.1-31.6173.3-71.1171.9-176.6162.64112.4S125 E126 L127S125-R129 VanDerWaalsContact O-CD 3.28Å; S125-R129 WeakPolarHBondContact O-CD 3.36Å; S125-R129 VanDerWaalsContact O-CG 3.31Å; S125-R129 WeakPolarHBondContact O-CG 3.46Å; S125-R129 PolarHBondContact O-NE 3.44Å; E126-R129 WeakPolarHBondContact O-CA 3.35Å; E126-R129 WeakPolarHBondContact O-CB 3.31Å; E126-R129 PolarHBondContact O-N 3.37Å; L127-R129 PolarHBondContact O-N 3.42Å; L127-R129 VanDerWaalsContact O-N 3.15Å
130L59.2Low61Low121 Ų121121.9 Ų121.963%0.63465%0.651SS**Hα-helixtrans-72.3-42.1172.7-116.767.2000111.7E126 L127 G132 S133E126-L130 PolarHBondContact O-N 3.44Å; L127-L130 PolarHBondContact O-N 3.39Å; L130-G132 PolarHBondContact O-N 3.2Å; L130-G132 VanDerWaalsContact O-N 3.1Å; L130-S133 PolarHBondContact O-N 3.04Å; L130-S133 PolarHBondContact O-OG 3.36Å
131N54.3Low62.4Low115 Ų115124.1 Ų124.162%0.61564%0.644SS**THydrogen-bonded Turntrans-66.5-10.6-175.4-71.4-8.3000114.9L127L127-N131 WeakPolarHBondContact O-CB 3.19Å; L127-N131 PolarHBondContact O-N 2.93Å; L127-N131 PolarHBondContact O-ND2 3.26Å
132G51.8Low63.6Low40 Ų40124.8 Ų124.841%0.41264%0.641SS.*THydrogen-bonded Turntrans-89.85.1175.700000115.2L130 E136L130-G132 PolarHBondContact O-N 3.2Å; L130-G132 VanDerWaalsContact O-N 3.1Å; G132-E136 WeakPolarHBondContact CA-OE1 3.38Å
133S55.4Low63.7Low104 Ų104128.4 Ų128.473%0.72765%0.652SS**SBendtrans-87.3-32.9-178.5580000113.7L130L130-S133 PolarHBondContact O-N 3.04Å; L130-S133 PolarHBondContact O-OG 3.36Å
134T53Low63.4Low109 Ų109127.8 Ų127.867%0.66965%0.648SS**SBendtrans-79.5140.9166-56.40000108.7E136T134-E136 PolarHBondContact O-N 3.45Å
135S52Low63.6Low109 Ų109129.7 Ų129.776%0.76266%0.658SS**  trans-54.4104.9-171.360.50000112.6K137S135-K137 PolarHBondContact O-N 3.1Å
136E55.9Low63.4Low153 Ų153131 Ų13172%0.71566%0.662SS**  trans-59.7104.3-175.7-69.1-173.1159.500111G132 T134 R138G132-E136 WeakPolarHBondContact CA-OE1 3.38Å; T134-E136 PolarHBondContact O-N 3.45Å; E136-R138 PolarHBondContact O-N 2.78Å; E136-R138 VanDerWaalsContact O-N 3.11Å
137K65.6Low62.9Low192 Ų192133.1 Ų133.184%0.83568%0.679SS**  trans-66.9109.8161.6-73.2-175.4178.3179.90107S135 L139S135-K137 PolarHBondContact O-N 3.1Å; K137-L139 PolarHBondContact O-N 3.44Å; K137-L139 VanDerWaalsContact O-N 3.13Å
138R68.1Low62.6Low229 Ų229137.3 Ų137.386%0.86470%0.697SS**PPolyproline II helixtrans-47.2121.4170.8177-179.3179.6173.10.5108.7E136 E140E136-R138 PolarHBondContact O-N 2.78Å; E136-R138 VanDerWaalsContact O-N 3.11Å; R138-E140 PolarHBondContact O-N 3.23Å; R138-E140 VanDerWaalsContact O-N 3.11Å
139L72.9Confident62.2Low165 Ų165141 Ų14186%0.86470%0.704SS**PPolyproline II helixtrans-60117176.3-64.6175.2000109.2K137K137-L139 PolarHBondContact O-N 3.44Å; K137-L139 VanDerWaalsContact O-N 3.13Å
140E78.1Confident61.9Low180 Ų180140.5 Ų140.584%0.84171%0.71SS**PPolyproline II helixtrans-80.8158.3171-62.3-175.7146.700109.2R138 W142R138-E140 PolarHBondContact O-N 3.23Å; R138-E140 VanDerWaalsContact O-N 3.11Å; E140-W142 PolarHBondContact O-N 2.97Å
141K77.8Confident61.7Low135 Ų135142.2 Ų142.259%0.58772%0.719SS**PPolyproline II helixtrans-61.3127.5170.3178.7-163.7160.4-150.80106.8E143 E148K141-E143 HydrophobicContact CD-CG 4.05Å; K141-E143 HydrophobicContact CG-CG 4.31Å; K141-E143 IonicContact NZ-OE1 3.99Å; K141-E143 PolarHBondContact NZ-OE1 3.12Å; K141-E143 PolarHBondContact O-N 2.91Å; K141-E148 IonicContact NZ-OE1 2.87Å
142W81.2Confident61.8Low217 Ų217142.4 Ų142.482%0.82272%0.724SS**  trans-66.8103.2169.1-17176.3000108.2E140E140-W142 PolarHBondContact O-N 2.97Å
143E69Low62Low134 Ų134148.2 Ų148.263%0.62675%0.745SS**  trans-91.1130.1170.5-52.7-147.7122.900107.8K141K141-E143 HydrophobicContact CD-CG 4.05Å; K141-E143 HydrophobicContact CG-CG 4.31Å; K141-E143 IonicContact NZ-OE1 3.99Å; K141-E143 PolarHBondContact NZ-OE1 3.12Å; K141-E143 PolarHBondContact O-N 2.91Å
144S57.4Low61.8Low45 Ų45147.4 Ų147.432%0.31573%0.732SS.*  trans-76.5126178.7166.20000109.4V146S144-V146 WeakPolarHBondContact CB-O 3.22Å; S144-V146 CarbonylContact O-C 3.6Å; S144-V146 PolarHBondContact O-N 3.24Å; S144-V146 VanDerWaalsContact O-N 3.12Å; S144-V146 WeakPolarHBondContact OG-CA 3.13Å; S144-V146 WeakPolarHBondContact OG-CB 3.42Å; S144-V146 PolarHBondContact OG-N 3.44Å; S144-V146 PolarHBondContact OG-O 2.87Å
145D67.3Low62Low177 Ų177150.1 Ų150.195%0.94774%0.743SS**SBendtrans-60.9-15.5168.7-75.7-42.6000112.4
146V58.1Low62.3Low105 Ų105149.5 Ų149.564%0.63674%0.739SS**SBendtrans-87.6116.7165.6-170.50000108.7S144S144-V146 WeakPolarHBondContact CB-O 3.22Å; S144-V146 CarbonylContact O-C 3.6Å; S144-V146 PolarHBondContact O-N 3.24Å; S144-V146 VanDerWaalsContact O-N 3.12Å; S144-V146 WeakPolarHBondContact OG-CA 3.13Å; S144-V146 WeakPolarHBondContact OG-CB 3.42Å; S144-V146 PolarHBondContact OG-N 3.44Å; S144-V146 PolarHBondContact OG-O 2.87Å
147V55.7Low62Low105 Ų105143.7 Ų143.764%0.63672%0.715SS**  trans-48.6140.6178.8-177.50000111.7E149V147-E149 HydrophobicContact CG1-CG 4.13Å; V147-E149 PolarHBondContact O-N 3.04Å
148E54.7Low61.5Low164 Ų164140.6 Ų140.677%0.76672%0.718SS**  trans-70.343.1179.2-63-175.5-17900113.9K141K141-E148 IonicContact NZ-OE1 2.87Å
149E57.1Low61Low166 Ų166134.9 Ų134.978%0.77671%0.708SS**SBendtrans-90.6113.3169.4-75.4-175.4167.600110.6V147 L151V147-E149 HydrophobicContact CG1-CG 4.13Å; V147-E149 PolarHBondContact O-N 3.04Å; E149-L151 PolarHBondContact O-N 2.83Å
150E54.9Low60.4Low186 Ų186134.9 Ų134.987%0.86970%0.704SS**SBendtrans67.710.7163.9-149.3162.2-143.500119.2V152E150-V152 PolarHBondContact O-N 3.46Å
151L55.8Low59.8Low157 Ų157128.9 Ų128.982%0.82269%0.69SS**  trans-76.552.2163.2-74.2177.9000113.1E149 L153E149-L151 PolarHBondContact O-N 2.83Å; L151-L153 PolarHBondContact O-N 2.9Å
152V55.4Low59.6Low118 Ų118130.5 Ų130.572%0.71569%0.692SS**  trans-73.1116.9164.9178.20000108E150 D154E150-V152 PolarHBondContact O-N 3.46Å; V152-D154 PolarHBondContact O-N 3.3Å
153L56Low59.4Low162 Ų162122.5 Ų122.585%0.84867%0.67SS**  trans-68.885.6167-66.9176.1000108.9L151 D155L151-L153 PolarHBondContact O-N 2.9Å; L153-D155 PolarHBondContact O-N 3.02Å
154D51.2Low59.9Low87 Ų87118.1 Ų118.147%0.46566%0.656SS.*  trans-75.794176.6-170.4-13.9000109.9V152 S156 S157V152-D154 PolarHBondContact O-N 3.3Å; D154-S156 VanDerWaalsContact CG-OG 3.22Å; D154-S156 PolarHBondContact O-N 2.69Å; D154-S156 VanDerWaalsContact OD1-CB 3.24Å; D154-S156 WeakPolarHBondContact OD1-CB 3.25Å; D154-S156 PolarHBondContact OD1-N 2.7Å; D154-S156 PolarHBondContact OD1-OG 2.99Å; D154-S156 PolarHBondContact OD2-OG 3.09Å; D154-S157 PolarHBondContact O-N 2.86Å; D154-S157 PolarHBondContact O-OG 3.39Å
155D58.7Low61Low166 Ų166122.4 Ų122.489%0.88867%0.671SS**THydrogen-bonded Turntrans-48-17.4172.5-77.3-23.4000113.9L153L153-D155 PolarHBondContact O-N 3.02Å
156S57Low61.7Low97 Ų97119 Ų11968%0.67865%0.65SS**THydrogen-bonded Turntrans-83.3-10.1175.8780000114.3D154D154-S156 VanDerWaalsContact CG-OG 3.22Å; D154-S156 PolarHBondContact O-N 2.69Å; D154-S156 VanDerWaalsContact OD1-CB 3.24Å; D154-S156 WeakPolarHBondContact OD1-CB 3.25Å; D154-S156 PolarHBondContact OD1-N 2.7Å; D154-S156 PolarHBondContact OD1-OG 2.99Å; D154-S156 PolarHBondContact OD2-OG 3.09Å
157S49.4Very low62.9Low31 Ų31118.3 Ų118.322%0.21764%0.641CS.*  trans-103.989-175.468.10000113.1D154 T159 H160D154-S157 PolarHBondContact O-N 2.86Å; D154-S157 PolarHBondContact O-OG 3.39Å; S157-T159 PolarHBondContact O-N 3.11Å; S157-H160 PolarHBondContact OG-ND1 2.81Å
158S56.3Low64.4Low127 Ų127115 Ų11589%0.88862%0.618SS**THydrogen-bonded Turntrans-72.638.7171.768.80000113.3
159T57.8Low65.8Low108 Ų108113.7 Ų113.766%0.66361%0.61SS**THydrogen-bonded Turntrans-133.9-1.8-169.922.70000113S157S157-T159 PolarHBondContact O-N 3.11Å
160H59.1Low67.2Low166 Ų166109.7 Ų109.777%0.76959%0.589SS**SBendtrans-107.22.8178.2-68.5112.3000114.4S157S157-H160 PolarHBondContact OG-ND1 2.81Å
161G66Low68.7Low54 Ų54102.6 Ų102.656%0.55756%0.558SS**SBendtrans-93.2151.8163.200000110.5S163G161-S163 PolarHBondContact O-N 3.42Å
162W73.8Confident70.3Confident168 Ų168100.1 Ų100.164%0.63654%0.542SS*.  trans-66.4115.5166.3-70.432.5000107.6M167 K170W162-M167 HydrophobicContact CE3-CB 4.21Å; W162-M167 HydrophobicContact CE3-CG 4.36Å; W162-K170 HydrophobicContact CE3-CD 4.45Å; W162-K170 HydrophobicContact CH2-CD 3.76Å; W162-K170 HydrophobicContact CZ2-CD 4.43Å; W162-K170 VanDerWaalsContact CZ2-NZ 3.26Å; W162-K170 HydrophobicContact CZ3-CD 3.75Å
163S77.2Confident71.8Confident50 Ų50101.1 Ų101.135%0.3554%0.542SS..  trans-64.8156.5168.762.50000110.4G161 E165 E166 M167G161-S163 PolarHBondContact O-N 3.42Å; S163-E165 PolarHBondContact O-N 2.78Å; S163-E166 WeakPolarHBondContact CB-OE2 3.01Å; S163-E166 PolarHBondContact N-OE2 3.15Å; S163-E166 PolarHBondContact O-N 3.34Å; S163-E166 WeakPolarHBondContact OG-CB 3.38Å; S163-E166 VanDerWaalsContact OG-CD 3.25Å; S163-E166 WeakPolarHBondContact OG-CG 3.42Å; S163-E166 PolarHBondContact OG-N 3.22Å; S163-E166 VanDerWaalsContact OG-N 3.11Å; S163-E166 PolarHBondContact OG-OE2 3.23Å; S163-M167 PolarHBondContact O-N 3.09Å
164A78.7Confident73.3Confident41 Ų4199 Ų9934%0.33953%0.528SS..Hα-helixtrans-55.4-45.417400000110.4E166 M167 F168 Y181A164-E166 PolarHBondContact O-N 3.01Å; A164-M167 WeakPolarHBondContact O-CB 3.36Å; A164-M167 PolarHBondContact O-N 3.3Å; A164-M167 VanDerWaalsContact O-N 3.16Å; A164-F168 HydrophobicContact CB-CD2 4.39Å; A164-F168 HydrophobicContact CB-CE2 3.68Å; A164-F168 HydrophobicContact CB-CZ 3.84Å; A164-F168 WeakPolarHBondContact O-CB 3.47Å; A164-F168 WeakPolarHBondContact O-CD1 3.33Å; A164-F168 WeakPolarHBondContact O-CD2 3.19Å; A164-F168 WeakPolarHBondContact O-CG 3.4Å; A164-F168 PolarHBondContact O-N 3.34Å; A164-Y181 HydrophobicContact CB-CE1 4.49Å
165E80.6Confident75Confident136 Ų136102.1 Ų102.164%0.63654%0.538SS*.Hα-helixtrans-54.7-46.1174.4-173.465.4-169.800113.2S163 F168 K169S163-E165 PolarHBondContact O-N 2.78Å; E165-F168 PolarHBondContact O-N 3.29Å; E165-K169 WeakPolarHBondContact O-CB 3.36Å; E165-K169 PolarHBondContact O-N 3.25Å
166E83.2Confident76.3Confident106 Ų10697 Ų9750%0.49552%0.524SS..Hα-helixtrans-69.1-37.8176.5-73.6163.2128.600112.7S163 A164 K170S163-E166 WeakPolarHBondContact CB-OE2 3.01Å; S163-E166 PolarHBondContact N-OE2 3.15Å; S163-E166 PolarHBondContact O-N 3.34Å; S163-E166 WeakPolarHBondContact OG-CB 3.38Å; S163-E166 VanDerWaalsContact OG-CD 3.25Å; S163-E166 WeakPolarHBondContact OG-CG 3.42Å; S163-E166 PolarHBondContact OG-N 3.22Å; S163-E166 VanDerWaalsContact OG-N 3.11Å; S163-E166 PolarHBondContact OG-OE2 3.23Å; A164-E166 PolarHBondContact O-N 3.01Å; E166-K170 WeakPolarHBondContact O-CB 3.11Å; E166-K170 PolarHBondContact O-N 3.09Å
167M82.5Confident77.6Confident90 Ų9096 Ų9644%0.44351%0.514SS..Hα-helixtrans-62.5-45174.4-177.6177.917600110.9W162 S163 A164 K170 N171W162-M167 HydrophobicContact CE3-CB 4.21Å; W162-M167 HydrophobicContact CE3-CG 4.36Å; S163-M167 PolarHBondContact O-N 3.09Å; A164-M167 WeakPolarHBondContact O-CB 3.36Å; A164-M167 PolarHBondContact O-N 3.3Å; A164-M167 VanDerWaalsContact O-N 3.16Å; M167-K170 PolarHBondContact O-N 3.42Å; M167-N171 WeakPolarHBondContact O-CB 2.93Å; M167-N171 PolarHBondContact O-N 2.75Å; M167-N171 PolarHBondContact O-ND2 3.17Å
168F86.3Confident79.2Confident35 Ų3599.5 Ų99.515%0.15453%0.534CS..Hα-helixtrans-66.8-49.7178.5-56.2-27.1000111.3A164 E165 K170 N171 E172 T179 Y181A164-F168 HydrophobicContact CB-CD2 4.39Å; A164-F168 HydrophobicContact CB-CE2 3.68Å; A164-F168 HydrophobicContact CB-CZ 3.84Å; A164-F168 WeakPolarHBondContact O-CB 3.47Å; A164-F168 WeakPolarHBondContact O-CD1 3.33Å; A164-F168 WeakPolarHBondContact O-CD2 3.19Å; A164-F168 WeakPolarHBondContact O-CG 3.4Å; A164-F168 PolarHBondContact O-N 3.34Å; E165-F168 PolarHBondContact O-N 3.29Å; F168-K170 PolarHBondContact O-N 3.14Å; F168-N171 CarbonylContact O-C 3.55Å; F168-N171 PolarHBondContact O-N 2.98Å; F168-E172 WeakPolarHBondContact O-CB 3.09Å; F168-E172 PolarHBondContact O-N 3.27Å; F168-T179 HydrophobicContact CB-CG2 4.08Å; F168-T179 WeakPolarHBondContact CB-OG1 3.44Å; F168-T179 HydrophobicContact CD1-CG2 3.44Å; F168-T179 VanDerWaalsContact CD1-CG2 3.44Å; F168-T179 HydrophobicContact CD2-CG2 4.45Å; F168-T179 VanDerWaalsContact CD2-OG1 3.31Å; F168-T179 WeakPolarHBondContact CD2-OG1 3.42Å; F168-T179 HydrophobicContact CE1-CG2 3.94Å; F168-T179 HydrophobicContact CG-CG2 3.73Å; F168-T179 VanDerWaalsContact CG-OG1 3.22Å; F168-T179 WeakPolarHBondContact CG-OG1 3.46Å; F168-Y181 VanDerWaalsContact CE2-CB 3.48Å; F168-Y181 AromaticContact CE2-CD1 3.54Å; F168-Y181 HydrophobicContact CE2-CD1 3.54Å; F168-Y181 HydrophobicContact CE2-CD2 4.2Å; F168-Y181 HydrophobicContact CE2-CE1 4.28Å; F168-Y181 AromaticContact CE2-CG 3.47Å; F168-Y181 HydrophobicContact CE2-CG 3.47Å; F168-Y181 VanDerWaalsContact CE2-CG 3.47Å; F168-Y181 HydrophobicContact CZ-CD1 4.12Å; F168-Y181 AromaticContact CZ-CD2 3.93Å; F168-Y181 HydrophobicContact CZ-CD2 3.93Å; F168-Y181 AromaticContact CZ-CG 3.65Å; F168-Y181 HydrophobicContact CZ-CG 3.65Å
169K85.6Confident80.3Confident137 Ų13796.3 Ų96.360%0.59651%0.509SS*.Hα-helixtrans-58.1-34.7175.6-175174.6-173.8171.40112.9E165 L173E165-K169 WeakPolarHBondContact O-CB 3.36Å; E165-K169 PolarHBondContact O-N 3.25Å; K169-L173 WeakPolarHBondContact O-CB 3.38Å; K169-L173 PolarHBondContact O-N 3.12Å
170K85.8Confident81.5Confident81 Ų8196.9 Ų96.935%0.35251%0.508SS..Hα-helixtrans-76.2-33.5175.6-172.9165.4176.7179.90112.5W162 E166 M167 F168 H174W162-K170 HydrophobicContact CE3-CD 4.45Å; W162-K170 HydrophobicContact CH2-CD 3.76Å; W162-K170 HydrophobicContact CZ2-CD 4.43Å; W162-K170 VanDerWaalsContact CZ2-NZ 3.26Å; W162-K170 HydrophobicContact CZ3-CD 3.75Å; E166-K170 WeakPolarHBondContact O-CB 3.11Å; E166-K170 PolarHBondContact O-N 3.09Å; M167-K170 PolarHBondContact O-N 3.42Å; F168-K170 PolarHBondContact O-N 3.14Å; K170-H174 VanDerWaalsContact CG-CD2 3.48Å; K170-H174 WeakPolarHBondContact CG-CD2 3.45Å; K170-H174 WeakPolarHBondContact O-CB 3.41Å; K170-H174 PolarHBondContact O-CD2 3.42Å; K170-H174 PolarHBondContact O-N 3.07Å
171N85.7Confident82.4Confident37 Ų3794.8 Ų94.820%0.19849%0.494CS..Hα-helixtrans-72.1-36.1172.7-71.5-18.4000112.3M167 F168 F175 G176 V177M167-N171 WeakPolarHBondContact O-CB 2.93Å; M167-N171 PolarHBondContact O-N 2.75Å; M167-N171 PolarHBondContact O-ND2 3.17Å; F168-N171 CarbonylContact O-C 3.55Å; F168-N171 PolarHBondContact O-N 2.98Å; N171-F175 HydrophobicContact CB-CD2 4.49Å; N171-F175 CarbonylContact O-C 3.54Å; N171-F175 VanDerWaalsContact O-CA 3.31Å; N171-F175 WeakPolarHBondContact O-CA 3.49Å; N171-F175 WeakPolarHBondContact O-CB 3.47Å; N171-F175 PolarHBondContact O-N 3.22Å; N171-G176 PolarHBondContact O-N 2.61Å; N171-G176 VanDerWaalsContact O-N 3.14Å; N171-V177 HydrophobicContact CB-CB 4.32Å; N171-V177 PolarHBondContact O-N 3Å
172E89.6Confident82.7Confident105 Ų10594.7 Ų94.749%0.49148%0.481SS..Hα-helixtrans-63-50.1169.7-173.2-177.6-157.200110.2F168 H174 G176 V177 T178F168-E172 WeakPolarHBondContact O-CB 3.09Å; F168-E172 PolarHBondContact O-N 3.27Å; E172-H174 PolarHBondContact O-N 3.27Å; E172-G176 VanDerWaalsContact O-CA 3.26Å; E172-G176 WeakPolarHBondContact O-CA 3.47Å; E172-G176 PolarHBondContact O-N 3.07Å; E172-V177 PolarHBondContact N-O 3Å; E172-T178 HydrophobicContact CG-CG2 4.29Å
173L87.6Confident82.8Confident139 Ų13994.4 Ų94.473%0.72849%0.487SS*.Hα-helixtrans-65.2-35.3-178.1-17664.5000114.5K169K169-L173 WeakPolarHBondContact O-CB 3.38Å; K169-L173 PolarHBondContact O-N 3.12Å
174H87.5Confident82.6Confident117 Ų11797.1 Ų97.154%0.54250%0.497SS..Hα-helixtrans-101.7-27.2-177-66-45.1000114.8K170 E172K170-H174 VanDerWaalsContact CG-CD2 3.48Å; K170-H174 WeakPolarHBondContact CG-CD2 3.45Å; K170-H174 WeakPolarHBondContact O-CB 3.41Å; K170-H174 PolarHBondContact O-CD2 3.42Å; K170-H174 PolarHBondContact O-N 3.07Å; E172-H174 PolarHBondContact O-N 3.27Å
175F87.2Confident82.3Confident154 Ų15499 Ų9968%0.67550%0.501SS*.Hα-helixtrans-127.4-3.2-173.2-51.4-60.9000113.7N171 V177N171-F175 HydrophobicContact CB-CD2 4.49Å; N171-F175 CarbonylContact O-C 3.54Å; N171-F175 VanDerWaalsContact O-CA 3.31Å; N171-F175 WeakPolarHBondContact O-CA 3.49Å; N171-F175 WeakPolarHBondContact O-CB 3.47Å; N171-F175 PolarHBondContact O-N 3.22Å; F175-V177 HydrophobicContact CB-CG2 3.93Å; F175-V177 PolarHBondContact O-N 3.13Å
176G84.5Confident81.7Confident58 Ų5897.9 Ų97.960%0.59850%0.496SS*.  trans69.315.3-175.800000114.1N171 E172 T178N171-G176 PolarHBondContact O-N 2.61Å; N171-G176 VanDerWaalsContact O-N 3.14Å; E172-G176 VanDerWaalsContact O-CA 3.26Å; E172-G176 WeakPolarHBondContact O-CA 3.47Å; E172-G176 PolarHBondContact O-N 3.07Å; G176-T178 PolarHBondContact O-N 2.97Å
177V84.6Confident81Confident76 Ų7698.2 Ų98.246%0.46150%0.498SS..  trans-89.293.1-176.3-179.10000110N171 E172 F175N171-V177 HydrophobicContact CB-CB 4.32Å; N171-V177 PolarHBondContact O-N 3Å; E172-V177 PolarHBondContact N-O 3Å; F175-V177 HydrophobicContact CB-CG2 3.93Å; F175-V177 PolarHBondContact O-N 3.13Å
178T84Confident79.9Confident104 Ų104102.2 Ų102.264%0.63851%0.509SS*.  trans-69.1145.1164.9550000110.6E172 G176E172-T178 HydrophobicContact CG-CG2 4.29Å; G176-T178 PolarHBondContact O-N 2.97Å
179T79.6Confident78.5Confident61 Ų61104.8 Ų104.837%0.37452%0.524SS..  trans-114.6145.5179.156.10000113.1F168 Y181F168-T179 HydrophobicContact CB-CG2 4.08Å; F168-T179 WeakPolarHBondContact CB-OG1 3.44Å; F168-T179 HydrophobicContact CD1-CG2 3.44Å; F168-T179 VanDerWaalsContact CD1-CG2 3.44Å; F168-T179 HydrophobicContact CD2-CG2 4.45Å; F168-T179 VanDerWaalsContact CD2-OG1 3.31Å; F168-T179 WeakPolarHBondContact CD2-OG1 3.42Å; F168-T179 HydrophobicContact CE1-CG2 3.94Å; F168-T179 HydrophobicContact CG-CG2 3.73Å; F168-T179 VanDerWaalsContact CG-OG1 3.22Å; F168-T179 WeakPolarHBondContact CG-OG1 3.46Å; T179-Y181 VanDerWaalsContact C-N 3.34Å
180D81.8Confident76.9Confident119 Ų119106.7 Ų106.764%0.63653%0.528SS*.  trans-96.720174.362.5-37.1000112.9D182 Q187D180-D182 PolarHBondContact O-N 3.11Å; D180-Q187 PolarHBondContact O-NE2 3.14Å; D180-Q187 VanDerWaalsContact O-NE2 3.11Å; D180-Q187 PolarHBondContact OD2-NE2 2.92Å
181Y77.8Confident75.1Confident123 Ų123111.2 Ų111.248%0.48254%0.544SS..  trans-63124.3177.6178-92000111.5A164 F168 T179 E183A164-Y181 HydrophobicContact CB-CE1 4.49Å; F168-Y181 VanDerWaalsContact CE2-CB 3.48Å; F168-Y181 AromaticContact CE2-CD1 3.54Å; F168-Y181 HydrophobicContact CE2-CD1 3.54Å; F168-Y181 HydrophobicContact CE2-CD2 4.2Å; F168-Y181 HydrophobicContact CE2-CE1 4.28Å; F168-Y181 AromaticContact CE2-CG 3.47Å; F168-Y181 HydrophobicContact CE2-CG 3.47Å; F168-Y181 VanDerWaalsContact CE2-CG 3.47Å; F168-Y181 HydrophobicContact CZ-CD1 4.12Å; F168-Y181 AromaticContact CZ-CD2 3.93Å; F168-Y181 HydrophobicContact CZ-CD2 3.93Å; F168-Y181 AromaticContact CZ-CG 3.65Å; F168-Y181 HydrophobicContact CZ-CG 3.65Å; T179-Y181 VanDerWaalsContact C-N 3.34Å; Y181-E183 HydrophobicContact CE1-CB 4.13Å
182D73.8Confident73.5Confident51 Ų51117.2 Ų117.227%0.27358%0.576SS.*  trans-111.4128165.916628.6000108.5D180 N184 L185 Q186D180-D182 PolarHBondContact O-N 3.11Å; D182-N184 PolarHBondContact O-N 3.45Å; D182-N184 WeakPolarHBondContact OD1-CB 3.27Å; D182-N184 PolarHBondContact OD1-N 3.15Å; D182-N184 PolarHBondContact OD1-ND2 3.06Å; D182-L185 WeakPolarHBondContact O-CA 3.43Å; D182-L185 PolarHBondContact O-N 3.35Å; D182-Q186 WeakPolarHBondContact OD2-CB 3.45Å; D182-Q186 WeakPolarHBondContact OD2-CG 3.38Å; D182-Q186 PolarHBondContact OD2-N 2.91Å
183E75.1Confident71.5Confident163 Ų163118.6 Ų118.676%0.76259%0.586SS**THydrogen-bonded Turntrans-61-28.7178.4-171.2177.2-160.900112.1Y181 L185Y181-E183 HydrophobicContact CE1-CB 4.13Å; E183-L185 PolarHBondContact O-N 3.16Å
184N73.7Confident69.6Low107 Ų107116.2 Ų116.257%0.57257%0.574SS**THydrogen-bonded Turntrans-77.8-1.4173.4-54.2-85000113D182 Q186 N189D182-N184 PolarHBondContact O-N 3.45Å; D182-N184 WeakPolarHBondContact OD1-CB 3.27Å; D182-N184 PolarHBondContact OD1-N 3.15Å; D182-N184 PolarHBondContact OD1-ND2 3.06Å; N184-Q186 HydrophobicContact CB-CG 4.15Å; N184-Q186 PolarHBondContact O-N 3.17Å; N184-Q186 VanDerWaalsContact O-N 3.17Å; N184-N189 PolarHBondContact O-ND2 2.86Å
185L71Confident67.2Low79 Ų79114.4 Ų114.441%0.41457%0.569SS.*  trans53.130.7-177.9-77.5161000113.2D182 E183 Q187 Y188 N189D182-L185 WeakPolarHBondContact O-CA 3.43Å; D182-L185 PolarHBondContact O-N 3.35Å; E183-L185 PolarHBondContact O-N 3.16Å; L185-Q187 PolarHBondContact O-N 2.93Å; L185-Y188 HydrophobicContact CD2-CD2 3.95Å; L185-Y188 CarbonylContact O-C 3.43Å; L185-Y188 WeakPolarHBondContact O-CA 3.26Å; L185-Y188 PolarHBondContact O-N 2.92Å; L185-N189 WeakPolarHBondContact CB-ND2 3.38Å; L185-N189 WeakPolarHBondContact O-CB 3.41Å; L185-N189 PolarHBondContact O-N 3.41Å
186Q68.7Low65.4Low113 Ų113110.5 Ų110.553%0.52855%0.554SS.*THydrogen-bonded Turntrans-52.3-31.2-172.2-74.2-83.8-40.500114.2D182 N184 Y188D182-Q186 WeakPolarHBondContact OD2-CB 3.45Å; D182-Q186 WeakPolarHBondContact OD2-CG 3.38Å; D182-Q186 PolarHBondContact OD2-N 2.91Å; N184-Q186 HydrophobicContact CB-CG 4.15Å; N184-Q186 PolarHBondContact O-N 3.17Å; N184-Q186 VanDerWaalsContact O-N 3.17Å; Q186-Y188 VanDerWaalsContact C-N 3.3Å; Q186-Y188 PolarHBondContact O-N 3.36Å
187Q67.9Low63.7Low114 Ų114110.6 Ų110.653%0.53354%0.543SS..THydrogen-bonded Turntrans-61.1-36.4174.6-56.2-165.410.900113.3D180 L185D180-Q187 PolarHBondContact O-NE2 3.14Å; D180-Q187 VanDerWaalsContact O-NE2 3.11Å; D180-Q187 PolarHBondContact OD2-NE2 2.92Å; L185-Q187 PolarHBondContact O-N 2.93Å
188Y61.1Low62.1Low174 Ų174112 Ų11268%0.68255%0.547SS*.THydrogen-bonded Turntrans-96.1-31.4178.6-69.6-86.6000112.5L185 Q186 R190 Y191L185-Y188 HydrophobicContact CD2-CD2 3.95Å; L185-Y188 CarbonylContact O-C 3.43Å; L185-Y188 WeakPolarHBondContact O-CA 3.26Å; L185-Y188 PolarHBondContact O-N 2.92Å; Q186-Y188 VanDerWaalsContact C-N 3.3Å; Q186-Y188 PolarHBondContact O-N 3.36Å; Y188-R190 VanDerWaalsContact C-N 3.26Å; Y188-R190 PolarHBondContact O-N 3.44Å; Y188-Y191 VanDerWaalsContact O-CD2 3.26Å; Y188-Y191 WeakPolarHBondContact O-CD2 3.28Å; Y188-Y191 VanDerWaalsContact O-CE2 3.27Å; Y188-Y191 WeakPolarHBondContact O-CE2 3.46Å
189N57.1Low60.2Low89 Ų89113.1 Ų113.148%0.47655%0.549SS..  trans-85.118.1-175.7-77.7-16000114.2N184 L185 Y191N184-N189 PolarHBondContact O-ND2 2.86Å; L185-N189 WeakPolarHBondContact CB-ND2 3.38Å; L185-N189 WeakPolarHBondContact O-CB 3.41Å; L185-N189 PolarHBondContact O-N 3.41Å; N189-Y191 PolarHBondContact O-N 3.28Å
190R51.2Low58.9Low177 Ų177115.6 Ų115.667%0.66856%0.559SS**THydrogen-bonded Turntrans-65.620.3169.9-92.3-170.3-177.8-168.93.5114.9Y188 D192 D193 L194Y188-R190 VanDerWaalsContact C-N 3.26Å; Y188-R190 PolarHBondContact O-N 3.44Å; R190-D192 VanDerWaalsContact C-N 3.29Å; R190-D192 PolarHBondContact O-N 2.96Å; R190-D193 CarbonylContact O-C 3.57Å; R190-L194 WeakPolarHBondContact O-CA 3.38Å; R190-L194 WeakPolarHBondContact O-CG 3.35Å; R190-L194 PolarHBondContact O-N 3.03Å
191Y48Very low56.9Low176 Ų176115.8 Ų115.869%0.6957%0.565SS**THydrogen-bonded Turntrans-73.4-18.2177.3-78.3-85.8000113.9Y188 N189 L194Y188-Y191 VanDerWaalsContact O-CD2 3.26Å; Y188-Y191 WeakPolarHBondContact O-CD2 3.28Å; Y188-Y191 VanDerWaalsContact O-CE2 3.27Å; Y188-Y191 WeakPolarHBondContact O-CE2 3.46Å; N189-Y191 PolarHBondContact O-N 3.28Å; Y191-L194 HydrophobicContact CD1-CD1 3.59Å; Y191-L194 HydrophobicContact CE1-CD1 4.13Å; Y191-L194 HydrophobicContact CG-CD1 4.33Å; Y191-L194 WeakPolarHBondContact O-CB 3.25Å
192D52.5Low55.5Low163 Ų163115.5 Ų115.587%0.87257%0.571SS**SBendtrans-91.4-41.1173.3-67.7-17.2000111.6R190 L194R190-D192 VanDerWaalsContact C-N 3.29Å; R190-D192 PolarHBondContact O-N 2.96Å; D192-L194 PolarHBondContact O-N 3.47Å
193D47Very low54Low133 Ų133122.3 Ų122.371%0.71160%0.6SS**SBendtrans-8538.5168.3-83.7-22.8000112R190 N195R190-D193 CarbonylContact O-C 3.57Å; D193-N195 PolarHBondContact O-N 3.01Å
194L46.6Very low52.4Low89 Ų89118.2 Ų118.247%0.46660%0.602SS.*  trans-78.857.4-176.2-127.5-176.3000112.1R190 Y191 D192 L196R190-L194 WeakPolarHBondContact O-CA 3.38Å; R190-L194 WeakPolarHBondContact O-CG 3.35Å; R190-L194 PolarHBondContact O-N 3.03Å; Y191-L194 HydrophobicContact CD1-CD1 3.59Å; Y191-L194 HydrophobicContact CE1-CD1 4.13Å; Y191-L194 HydrophobicContact CG-CD1 4.33Å; Y191-L194 WeakPolarHBondContact O-CB 3.25Å; D192-L194 PolarHBondContact O-N 3.47Å; L194-L196 HydrophobicContact CD2-CG 4.15Å; L194-L196 PolarHBondContact O-N 3.01Å
195N38.7Very low51Low80 Ų80116.5 Ų116.543%0.42860%0.598SS.*  trans-63.3113.5157.2-167-5000107.2D193 V197 E210D193-N195 PolarHBondContact O-N 3.01Å; N195-V197 PolarHBondContact O-N 3.42Å; N195-E210 PolarHBondContact ND2-OE1 3.03Å; N195-E210 WeakPolarHBondContact OD1-CG 3.38Å
196L48.8Very low49.8Very low71 Ų71118.3 Ų118.337%0.37261%0.613SS.*  trans-84.767.2-152.8-148174.8000111.1L194 L198 V211L194-L196 HydrophobicContact CD2-CG 4.15Å; L194-L196 PolarHBondContact O-N 3.01Å; L196-L198 HydrophobicContact CD2-CB 3.97Å; L196-L198 PolarHBondContact O-N 3.17Å; L196-V211 HydrophobicContact CB-CG2 4.15Å; L196-V211 HydrophobicContact CD1-CG2 4.13Å
197V48.9Very low48.4Very low60 Ų60116.7 Ų116.736%0.36461%0.613SS.*  trans-69.475.3170.6-1700000109N195 L199N195-V197 PolarHBondContact O-N 3.42Å; V197-L199 HydrophobicContact CG1-CD1 3.9Å; V197-L199 HydrophobicContact CG1-CG 4.31Å; V197-L199 PolarHBondContact O-N 2.75Å; V197-L199 VanDerWaalsContact O-N 3.09Å
198L50.9Low47.2Very low105 Ų105114.7 Ų114.755%0.5561%0.612SS.*  trans-65102.1162.3-174.273.5000106.7L196 L200L196-L198 HydrophobicContact CD2-CB 3.97Å; L196-L198 PolarHBondContact O-N 3.17Å; L198-L200 HydrophobicContact CD2-CD1 3.85Å; L198-L200 HydrophobicContact CD2-CG 4Å; L198-L200 HydrophobicContact CG-CG 4.22Å; L198-L200 PolarHBondContact O-N 2.76Å
199L45Very low46.6Very low128 Ų128110.6 Ų110.667%0.6760%0.604SS**  trans-69.474.5175.6-81.896.9000110.8V197 T201V197-L199 HydrophobicContact CG1-CD1 3.9Å; V197-L199 HydrophobicContact CG1-CG 4.31Å; V197-L199 PolarHBondContact O-N 2.75Å; V197-L199 VanDerWaalsContact O-N 3.09Å; L199-T201 PolarHBondContact O-N 2.81Å; L199-T201 VanDerWaalsContact O-N 3.12Å
200L51.1Low46.4Very low113 Ų113112.6 Ų112.659%0.59261%0.611SS**  trans-7293.4158.8-79.1168000107.7L198 I202L198-L200 HydrophobicContact CD2-CD1 3.85Å; L198-L200 HydrophobicContact CD2-CG 4Å; L198-L200 HydrophobicContact CG-CG 4.22Å; L198-L200 PolarHBondContact O-N 2.76Å; L200-I202 HydrophobicContact CB-CG1 4.45Å; L200-I202 PolarHBondContact O-N 3.09Å
201T40.3Very low46.6Very low123 Ų123107 Ų10776%0.75560%0.596SS**  trans-69.574.9175.8-51.50000110.7L199L199-T201 PolarHBondContact O-N 2.81Å; L199-T201 VanDerWaalsContact O-N 3.12Å
202I48.7Very low47.1Very low118 Ų118104 Ų10461%0.60559%0.592SS**  trans-90.5109.6168.3-56.9175.8000106.9L200 G204 S205L200-I202 HydrophobicContact CB-CG1 4.45Å; L200-I202 PolarHBondContact O-N 3.09Å; I202-G204 VanDerWaalsContact C-N 3.34Å; I202-G204 PolarHBondContact O-N 2.95Å; I202-G204 VanDerWaalsContact O-N 3.09Å; I202-S205 PolarHBondContact O-N 3.07Å
203E41.9Very low47.6Very low193 Ų193103.7 Ų103.790%0.90258%0.583SS**THydrogen-bonded Turntrans45.947165.9-57.3-168.9160.500115.9S205E203-S205 VanDerWaalsContact C-N 3.31Å; E203-S205 PolarHBondContact O-N 3.12Å
204G41.3Very low48.3Very low77 Ų77101 Ų10179%0.79458%0.575SS**THydrogen-bonded Turntrans774.6166.600000116.5I202I202-G204 VanDerWaalsContact C-N 3.34Å; I202-G204 PolarHBondContact O-N 2.95Å; I202-G204 VanDerWaalsContact O-N 3.09Å
205S43.8Very low49.7Very low71 Ų7197.9 Ų97.950%0.49756%0.564SS.*  trans-101.4123.3175.5-175.80000111.8I202 E203 C207I202-S205 PolarHBondContact O-N 3.07Å; E203-S205 VanDerWaalsContact C-N 3.31Å; E203-S205 PolarHBondContact O-N 3.12Å; S205-C207 PolarHBondContact O-N 3.32Å; S205-C207 VanDerWaalsContact O-N 3.1Å; S205-C207 PolarHBondContact OG-SG 3.17Å
206V45.5Very low51.4Low118 Ų11899.7 Ų99.772%0.71558%0.578SS**  trans-80.191.6175-177.50000109.5S208V206-S208 PolarHBondContact O-N 3.18Å
207C40.2Very low52.6Low78 Ų78102.9 Ų102.953%0.52759%0.591SS.*  trans-91.793.8178.4-66.10000111.1S205 V209S205-C207 PolarHBondContact O-N 3.32Å; S205-C207 VanDerWaalsContact O-N 3.1Å; S205-C207 PolarHBondContact OG-SG 3.17Å; C207-V209 PolarHBondContact O-N 2.84Å; C207-V209 VanDerWaalsContact O-N 3.14Å
208S43.4Very low53.8Low73 Ų73104.6 Ų104.651%0.5159%0.591SS.*  trans-69.4101.6169.352.20000110.8V206 E210V206-S208 PolarHBondContact O-N 3.18Å; S208-E210 PolarHBondContact O-N 2.78Å
209V48.4Very low55.2Low87 Ų87105.7 Ų105.753%0.52759%0.591SS.*  trans-89.397.6176.6-177.60000109.6C207 V211C207-V209 PolarHBondContact O-N 2.84Å; C207-V209 VanDerWaalsContact O-N 3.14Å; V209-V211 HydrophobicContact CG1-CG2 4.5Å; V209-V211 PolarHBondContact O-N 2.8Å; V209-V211 VanDerWaalsContact O-N 3.09Å
210E52.7Low57Low132 Ų132103.8 Ų103.862%0.61759%0.585SS**  trans-64111.8168.3-49-151.4158.300108.6N195 S208 D212N195-E210 PolarHBondContact ND2-OE1 3.03Å; N195-E210 WeakPolarHBondContact OD1-CG 3.38Å; S208-E210 PolarHBondContact O-N 2.78Å; E210-D212 PolarHBondContact O-N 2.8Å
211V55.4Low58.4Low59 Ų59104.3 Ų104.336%0.35858%0.582SS.*  trans-78.591.6-177.9-179.30000109.3L196 V209 K213 Y218L196-V211 HydrophobicContact CB-CG2 4.15Å; L196-V211 HydrophobicContact CD1-CG2 4.13Å; V209-V211 HydrophobicContact CG1-CG2 4.5Å; V209-V211 PolarHBondContact O-N 2.8Å; V209-V211 VanDerWaalsContact O-N 3.09Å; V211-K213 PolarHBondContact O-N 2.92Å; V211-Y218 HydrophobicContact CG1-CD2 3.66Å; V211-Y218 HydrophobicContact CG1-CE2 3.79Å
212D56.9Low60.2Low114 Ų114105.1 Ų105.161%0.6157%0.572SS**  trans-64.588.3179-134.4-24000111E210 S214 G215E210-D212 PolarHBondContact O-N 2.8Å; D212-S214 PolarHBondContact O-N 3.26Å; D212-S214 PolarHBondContact OD1-OG 3.22Å; D212-G215 PolarHBondContact O-N 3.19Å
213K63.6Low61.8Low156 Ų156102.1 Ų102.168%0.67857%0.566SS**THydrogen-bonded Turntrans-58.7-15179.4-62.6172.2-172.9170.60112.8V211 Y218V211-K213 PolarHBondContact O-N 2.92Å; K213-Y218 HydrophobicContact CB-CE1 4.45Å
214S62Low64Low77 Ų7798.6 Ų98.654%0.53855%0.549SS..THydrogen-bonded Turntrans-75.7-28.4173.870.50000113.3D212 K219D212-S214 PolarHBondContact O-N 3.26Å; D212-S214 PolarHBondContact OD1-OG 3.22Å; S214-K219 PolarHBondContact O-NZ 3.27Å; S214-K219 VanDerWaalsContact O-NZ 3.17Å
215G75.5Confident65.9Low22 Ų2297.6 Ų97.623%0.22753%0.533CS..SBendtrans-65.3147-16600000114.8D212 E217 Y218 K219D212-G215 PolarHBondContact O-N 3.19Å; G215-E217 VanDerWaalsContact C-N 3.32Å; G215-E217 PolarHBondContact O-N 2.84Å; G215-Y218 PolarHBondContact O-N 3.17Å; G215-K219 PolarHBondContact O-N 3Å
216V75Confident67.9Low119 Ų11998.3 Ų98.372%0.72153%0.529SS*.Hα-helixtrans-62.9-41.2177.9-179.20000110.7Y218 K219 V220V216-Y218 PolarHBondContact O-N 3.46Å; V216-K219 PolarHBondContact O-N 2.81Å; V216-V220 HydrophobicContact CG1-CG2 4.48Å; V216-V220 WeakPolarHBondContact O-CG2 3.38Å; V216-V220 PolarHBondContact O-N 2.95Å
217E74Confident69.9Low138 Ų138101.1 Ų101.165%0.64553%0.527SS*.Hα-helixtrans-62.3-39.6176.3-67.4-168.2-15800113.4G215 K219 V220 K221G215-E217 VanDerWaalsContact C-N 3.32Å; G215-E217 PolarHBondContact O-N 2.84Å; E217-K219 VanDerWaalsContact C-N 3.3Å; E217-K219 PolarHBondContact O-N 3.47Å; E217-V220 PolarHBondContact O-N 2.84Å; E217-K221 WeakPolarHBondContact O-CB 3.4Å; E217-K221 WeakPolarHBondContact O-CG 3.47Å; E217-K221 PolarHBondContact O-N 3Å; E217-K221 IonicContact OE2-NZ 3.73Å; E217-K221 PolarHBondContact OE2-NZ 3.47Å; E217-K221 VanDerWaalsContact OE2-NZ 3.14Å
218Y73.5Confident71.9Confident95 Ų95102 Ų10237%0.37353%0.526SS..Hα-helixtrans-60.8-42.9176.3-179.2-92.4000110.4V211 K213 G215 V216 K221 Y222V211-Y218 HydrophobicContact CG1-CD2 3.66Å; V211-Y218 HydrophobicContact CG1-CE2 3.79Å; K213-Y218 HydrophobicContact CB-CE1 4.45Å; G215-Y218 PolarHBondContact O-N 3.17Å; V216-Y218 PolarHBondContact O-N 3.46Å; Y218-K221 PolarHBondContact O-N 3.18Å; Y218-Y222 VanDerWaalsContact O-CB 3.23Å; Y218-Y222 WeakPolarHBondContact O-CB 3.32Å; Y218-Y222 PolarHBondContact O-N 3.18Å
219K80.6Confident73.6Confident128 Ų128100.4 Ų100.456%0.55752%0.517SS*.Hα-helixtrans-66.9-37.4177-68.2170.4-178.4161.40112.9S214 G215 V216 E217 A223S214-K219 PolarHBondContact O-NZ 3.27Å; S214-K219 VanDerWaalsContact O-NZ 3.17Å; G215-K219 PolarHBondContact O-N 3Å; V216-K219 PolarHBondContact O-N 2.81Å; E217-K219 VanDerWaalsContact C-N 3.3Å; E217-K219 PolarHBondContact O-N 3.47Å; K219-A223 WeakPolarHBondContact O-CB 3.42Å; K219-A223 PolarHBondContact O-N 3.24Å
220V84.1Confident75.4Confident88 Ų88101.6 Ų101.653%0.53352%0.515SS..Hα-helixtrans-66.9-49174.8172.30000110.9V216 E217 Y222 A223 E224V216-V220 HydrophobicContact CG1-CG2 4.48Å; V216-V220 WeakPolarHBondContact O-CG2 3.38Å; V216-V220 PolarHBondContact O-N 2.95Å; E217-V220 PolarHBondContact O-N 2.84Å; V220-Y222 VanDerWaalsContact C-N 3.32Å; V220-Y222 PolarHBondContact O-N 2.98Å; V220-A223 PolarHBondContact O-N 2.96Å; V220-E224 WeakPolarHBondContact O-CB 3.24Å; V220-E224 PolarHBondContact O-N 3.35Å
221K79.6Confident77Confident125 Ų12599.8 Ų99.854%0.54351%0.508SS..Hα-helixtrans-62.8-36.6177.3-71.9168.8-179.7158.40112E217 Y218 E224 A225E217-K221 WeakPolarHBondContact O-CB 3.4Å; E217-K221 WeakPolarHBondContact O-CG 3.47Å; E217-K221 PolarHBondContact O-N 3Å; E217-K221 IonicContact OE2-NZ 3.73Å; E217-K221 PolarHBondContact OE2-NZ 3.47Å; E217-K221 VanDerWaalsContact OE2-NZ 3.14Å; Y218-K221 PolarHBondContact O-N 3.18Å; K221-E224 PolarHBondContact O-N 2.97Å; K221-A225 WeakPolarHBondContact O-CB 3.23Å; K221-A225 PolarHBondContact O-N 2.78Å
222Y78.5Confident78.1Confident139 Ų139101.6 Ų101.655%0.54552%0.515SS..Hα-helixtrans-64.4-46.5173.3-172.3-82.8000111.8Y218 V220 E224 A225 E226Y218-Y222 VanDerWaalsContact O-CB 3.23Å; Y218-Y222 WeakPolarHBondContact O-CB 3.32Å; Y218-Y222 PolarHBondContact O-N 3.18Å; V220-Y222 VanDerWaalsContact C-N 3.32Å; V220-Y222 PolarHBondContact O-N 2.98Å; Y222-E224 VanDerWaalsContact C-N 3.3Å; Y222-E224 PolarHBondContact O-N 2.8Å; Y222-A225 PolarHBondContact O-N 2.86Å; Y222-E226 WeakPolarHBondContact O-CB 3.48Å; Y222-E226 PolarHBondContact O-N 2.85Å
223A82.2Confident79.2Confident56 Ų56102.7 Ų102.746%0.46352%0.517SS..Hα-helixtrans-66-31.2176.900000113K219 V220 R227K219-A223 WeakPolarHBondContact O-CB 3.42Å; K219-A223 PolarHBondContact O-N 3.24Å; V220-A223 PolarHBondContact O-N 2.96Å; A223-R227 WeakPolarHBondContact O-CB 3.45Å; A223-R227 PolarHBondContact O-N 3.14Å
224E87.1Confident80.1Confident118 Ų11899 Ų9955%0.55152%0.515SS*.Hα-helixtrans-69.7-44.3171.9-177.2167.9-144.400111.9V220 K221 Y222 R227 L228V220-E224 WeakPolarHBondContact O-CB 3.24Å; V220-E224 PolarHBondContact O-N 3.35Å; K221-E224 PolarHBondContact O-N 2.97Å; Y222-E224 VanDerWaalsContact C-N 3.3Å; Y222-E224 PolarHBondContact O-N 2.8Å; E224-R227 WeakPolarHBondContact O-CB 3.37Å; E224-R227 PolarHBondContact O-N 2.89Å; E224-L228 HydrophobicContact CG-CD1 4.4Å; E224-L228 WeakPolarHBondContact O-CG 3.49Å; E224-L228 PolarHBondContact O-N 2.92Å
225A82.3Confident81.1Confident56 Ų5698.9 Ų98.946%0.46351%0.508SS..Hα-helixtrans-62.6-43.2174.100000112.1K221 Y222 R227 L228 A229K221-A225 WeakPolarHBondContact O-CB 3.23Å; K221-A225 PolarHBondContact O-N 2.78Å; Y222-A225 PolarHBondContact O-N 2.86Å; A225-R227 VanDerWaalsContact C-N 3.29Å; A225-R227 PolarHBondContact O-N 3.24Å; A225-L228 PolarHBondContact O-N 2.72Å; A225-A229 WeakPolarHBondContact O-CB 3.48Å; A225-A229 PolarHBondContact O-N 3.48Å
226E84.6Confident81.2Confident86 Ų86102.1 Ų102.140%0.40253%0.525SS..Hα-helixtrans-62.8-36175.1-167.4-168.8145.500111.8Y222 K230Y222-E226 WeakPolarHBondContact O-CB 3.48Å; Y222-E226 PolarHBondContact O-N 2.85Å; E226-K230 WeakPolarHBondContact O-CG 3.35Å; E226-K230 PolarHBondContact O-N 2.98Å; E226-K230 IonicContact OE1-NZ 2.56Å; E226-K230 PolarHBondContact OE1-NZ 2.97Å
227R87.9Confident81.4Confident178 Ų17898.9 Ų98.967%0.67251%0.511SS*.Hα-helixtrans-66.9-42.7172.4178.4-178.4177.2134.62.4111.8A223 E224 A225 K230 I231A223-R227 WeakPolarHBondContact O-CB 3.45Å; A223-R227 PolarHBondContact O-N 3.14Å; E224-R227 WeakPolarHBondContact O-CB 3.37Å; E224-R227 PolarHBondContact O-N 2.89Å; A225-R227 VanDerWaalsContact C-N 3.29Å; A225-R227 PolarHBondContact O-N 3.24Å; R227-K230 PolarHBondContact O-N 2.83Å; R227-I231 HydrophobicContact CG-CD1 4.01Å; R227-I231 WeakPolarHBondContact O-CD1 3.43Å; R227-I231 VanDerWaalsContact O-CG1 3.29Å; R227-I231 WeakPolarHBondContact O-CG1 3.39Å; R227-I231 PolarHBondContact O-N 3.03Å; R227-I231 VanDerWaalsContact O-N 3.13Å
228L81.5Confident81.4Confident97 Ų9793.8 Ų93.851%0.50849%0.491SS..Hα-helixtrans-66.5-42.6178.1-74.8168.7000111.7E224 A225 K230 I231 I232E224-L228 HydrophobicContact CG-CD1 4.4Å; E224-L228 WeakPolarHBondContact O-CG 3.49Å; E224-L228 PolarHBondContact O-N 2.92Å; A225-L228 PolarHBondContact O-N 2.72Å; L228-K230 PolarHBondContact O-N 2.78Å; L228-I231 PolarHBondContact O-N 2.81Å; L228-I231 VanDerWaalsContact O-N 3.1Å; L228-I232 WeakPolarHBondContact O-CG1 3.42Å; L228-I232 PolarHBondContact O-N 2.94Å
229A81Confident81.6Confident39 Ų3995.4 Ų95.432%0.32250%0.5SS..Hα-helixtrans-54.2-51.1173.600000111.3A225 I231 I232 E233A225-A229 WeakPolarHBondContact O-CB 3.48Å; A225-A229 PolarHBondContact O-N 3.48Å; A229-I231 VanDerWaalsContact C-N 3.26Å; A229-I231 PolarHBondContact O-N 2.77Å; A229-I232 WeakPolarHBondContact O-CB 3.45Å; A229-I232 PolarHBondContact O-N 2.95Å; A229-E233 WeakPolarHBondContact O-CG 3.35Å; A229-E233 PolarHBondContact O-N 3.24Å
230K86.4Confident81.3Confident112 Ų11297 Ų9749%0.48750%0.503SS..Hα-helixtrans-63-28177.6-70.5170.3-174.1173.90113.8E226 R227 L228 A234E226-K230 WeakPolarHBondContact O-CG 3.35Å; E226-K230 PolarHBondContact O-N 2.98Å; E226-K230 IonicContact OE1-NZ 2.56Å; E226-K230 PolarHBondContact OE1-NZ 2.97Å; R227-K230 PolarHBondContact O-N 2.83Å; L228-K230 PolarHBondContact O-N 2.78Å; K230-A234 WeakPolarHBondContact O-CB 3.4Å; K230-A234 PolarHBondContact O-N 2.64Å; K230-A234 VanDerWaalsContact O-N 3.12Å
231I85.8Confident81Confident94 Ų9495.3 Ų95.348%0.48250%0.498SS..Hα-helixtrans-74.2-36.8173.6-70.8165.3000111.1R227 L228 A229 N235R227-I231 HydrophobicContact CG-CD1 4.01Å; R227-I231 WeakPolarHBondContact O-CD1 3.43Å; R227-I231 VanDerWaalsContact O-CG1 3.29Å; R227-I231 WeakPolarHBondContact O-CG1 3.39Å; R227-I231 PolarHBondContact O-N 3.03Å; R227-I231 VanDerWaalsContact O-N 3.13Å; L228-I231 PolarHBondContact O-N 2.81Å; L228-I231 VanDerWaalsContact O-N 3.1Å; A229-I231 VanDerWaalsContact C-N 3.26Å; A229-I231 PolarHBondContact O-N 2.77Å; I231-N235 PolarHBondContact O-N 2.93Å
232I77.7Confident80.7Confident96 Ų9693.1 Ų93.149%0.49249%0.492SS..Hα-helixtrans-69.3-48.3176-66.3163.1000110.2L228 A229 A234 N235 S238L228-I232 WeakPolarHBondContact O-CG1 3.42Å; L228-I232 PolarHBondContact O-N 2.94Å; A229-I232 WeakPolarHBondContact O-CB 3.45Å; A229-I232 PolarHBondContact O-N 2.95Å; I232-A234 VanDerWaalsContact C-N 3.3Å; I232-A234 PolarHBondContact O-N 3.03Å; I232-N235 VanDerWaalsContact O-CB 3.3Å; I232-N235 WeakPolarHBondContact O-CB 3.47Å; I232-N235 PolarHBondContact O-N 2.89Å; I232-S238 WeakPolarHBondContact O-CB 3.31Å
233E80.5Confident80.5Confident138 Ų13890.3 Ų90.365%0.64549%0.486SS*.Hα-helixtrans-58.9-37.3175.8-70.3165.6-168.400113A229 N235A229-E233 WeakPolarHBondContact O-CG 3.35Å; A229-E233 PolarHBondContact O-N 3.24Å; E233-N235 VanDerWaalsContact C-N 3.3Å; E233-N235 PolarHBondContact O-N 3.36Å
234A81.6Confident80.1Confident79 Ų7994.3 Ų94.365%0.65350%0.499SS*.THydrogen-bonded Turntrans-78.2-9.1177.200000113.9K230 I232 P236K230-A234 WeakPolarHBondContact O-CB 3.4Å; K230-A234 PolarHBondContact O-N 2.64Å; K230-A234 VanDerWaalsContact O-N 3.12Å; I232-A234 VanDerWaalsContact C-N 3.3Å; I232-A234 PolarHBondContact O-N 3.03Å; A234-P236 WeakPolarHBondContact O-CD 3.09Å
235N83.3Confident79.2Confident73 Ų7395.6 Ų95.639%0.3951%0.505SS..  trans-80.9115.5-176.4-177.7-4.3000111.2I231 I232 E233 A237 S238 K239I231-N235 PolarHBondContact O-N 2.93Å; I232-N235 VanDerWaalsContact O-CB 3.3Å; I232-N235 WeakPolarHBondContact O-CB 3.47Å; I232-N235 PolarHBondContact O-N 2.89Å; E233-N235 VanDerWaalsContact C-N 3.3Å; E233-N235 PolarHBondContact O-N 3.36Å; N235-A237 PolarHBondContact O-N 2.97Å; N235-A237 VanDerWaalsContact O-N 3.08Å; N235-A237 WeakPolarHBondContact OD1-CB 3.28Å; N235-A237 PolarHBondContact OD1-N 3.48Å; N235-S238 PolarHBondContact O-N 3.23Å; N235-K239 PolarHBondContact O-N 3.46Å
236P78Confident78.6Confident90 Ų9098.4 Ų98.458%0.58451%0.512SS*.Hα-helixtrans-70.3-3.4179.631.4-37.2000114A234 R240A234-P236 WeakPolarHBondContact O-CD 3.09Å; P236-R240 WeakPolarHBondContact O-CG 3.36Å; P236-R240 PolarHBondContact O-NE 3.35Å
237A78.4Confident77.6Confident51 Ų51100.6 Ų100.642%0.42153%0.527SS..Hα-helixtrans-82.1-47.6163.700000111.4N235 K239 R240 A241N235-A237 PolarHBondContact O-N 2.97Å; N235-A237 VanDerWaalsContact O-N 3.08Å; N235-A237 WeakPolarHBondContact OD1-CB 3.28Å; N235-A237 PolarHBondContact OD1-N 3.48Å; A237-K239 VanDerWaalsContact C-N 3.35Å; A237-K239 PolarHBondContact O-N 3.35Å; A237-R240 PolarHBondContact O-N 3.47Å; A237-A241 PolarHBondContact O-N 3.17Å
238S74.6Confident76.1Confident32 Ų3295.7 Ų95.722%0.22451%0.514CS..Hα-helixtrans-61.9-44.6176-159.20000110.8I232 N235 R240 A241 N242I232-S238 WeakPolarHBondContact O-CB 3.31Å; N235-S238 PolarHBondContact O-N 3.23Å; S238-R240 PolarHBondContact O-N 3.3Å; S238-A241 WeakPolarHBondContact O-CB 3.4Å; S238-A241 PolarHBondContact O-N 3.29Å; S238-N242 PolarHBondContact O-N 2.85Å; S238-N242 PolarHBondContact O-OD1 3.46Å; S238-N242 VanDerWaalsContact O-OD1 3.08Å
239K77.1Confident75.2Confident129 Ų12999.1 Ų99.156%0.56153%0.527SS*.Hα-helixtrans-61.3-44.7-179.7-165.6164-173.9169.60112.4N235 A237 A241 N242 D243N235-K239 PolarHBondContact O-N 3.46Å; A237-K239 VanDerWaalsContact C-N 3.35Å; A237-K239 PolarHBondContact O-N 3.35Å; K239-A241 VanDerWaalsContact C-N 3.28Å; K239-A241 PolarHBondContact O-N 2.97Å; K239-N242 PolarHBondContact O-N 3.49Å; K239-D243 WeakPolarHBondContact O-CB 3.49Å; K239-D243 PolarHBondContact O-N 2.86Å; K239-D243 VanDerWaalsContact O-OD2 3.08Å
240R75.1Confident74Confident162 Ų162103.5 Ų103.561%0.61154%0.541SS*.Hα-helixtrans-65.8-27.1173.9-77.4-177-64.9147.45.1113.9P236 A237 S238 L244P236-R240 WeakPolarHBondContact O-CG 3.36Å; P236-R240 PolarHBondContact O-NE 3.35Å; A237-R240 PolarHBondContact O-N 3.47Å; S238-R240 PolarHBondContact O-N 3.3Å; R240-L244 WeakPolarHBondContact O-CB 3.35Å; R240-L244 WeakPolarHBondContact O-CD1 3.3Å; R240-L244 VanDerWaalsContact O-CG 3.32Å; R240-L244 WeakPolarHBondContact O-CG 3.39Å; R240-L244 PolarHBondContact O-N 3.42Å
241A78.1Confident72.6Confident52 Ų52106.8 Ų106.843%0.4355%0.55SS.*Hα-helixtrans-70.6-47.4172.500000110.6A237 S238 K239 D243 L244 E245A237-A241 PolarHBondContact O-N 3.17Å; S238-A241 WeakPolarHBondContact O-CB 3.4Å; S238-A241 PolarHBondContact O-N 3.29Å; K239-A241 VanDerWaalsContact C-N 3.28Å; K239-A241 PolarHBondContact O-N 2.97Å; A241-D243 VanDerWaalsContact C-N 3.34Å; A241-D243 PolarHBondContact O-N 3.45Å; A241-L244 CarbonylContact O-C 3.55Å; A241-L244 PolarHBondContact O-N 3.23Å; A241-E245 WeakPolarHBondContact O-CB 3.35Å; A241-E245 PolarHBondContact O-N 3.44Å
242N73.4Confident71.3Confident79 Ų79108.3 Ų108.342%0.42256%0.56SS.*Hα-helixtrans-58.7-42.9171.3-77.266.4000112.1S238 K239 E245 N246S238-N242 PolarHBondContact O-N 2.85Å; S238-N242 PolarHBondContact O-OD1 3.46Å; S238-N242 VanDerWaalsContact O-OD1 3.08Å; K239-N242 PolarHBondContact O-N 3.49Å; N242-E245 PolarHBondContact O-N 2.89Å; N242-N246 WeakPolarHBondContact O-CB 3.36Å; N242-N246 PolarHBondContact O-N 3.22Å; N242-N246 PolarHBondContact O-ND2 3.28Å
243D75.1Confident70.4Confident79 Ų79108.6 Ų108.642%0.42256%0.561SS.*Hα-helixtrans-61.1-45.4177.7-59.5-32.2000109.7K239 A241 E245 N246 D247K239-D243 WeakPolarHBondContact O-CB 3.49Å; K239-D243 PolarHBondContact O-N 2.86Å; K239-D243 VanDerWaalsContact O-OD2 3.08Å; A241-D243 VanDerWaalsContact C-N 3.34Å; A241-D243 PolarHBondContact O-N 3.45Å; D243-E245 VanDerWaalsContact C-N 3.34Å; D243-E245 PolarHBondContact O-N 2.9Å; D243-N246 PolarHBondContact O-N 2.87Å; D243-D247 WeakPolarHBondContact O-CB 3.49Å; D243-D247 PolarHBondContact O-N 3.38Å
244L72.5Confident69.3Low141 Ų141108 Ų10874%0.73857%0.567SS**Hα-helixtrans-67.5-25.6174.6-78.8165.3000114.9R240 A241R240-L244 WeakPolarHBondContact O-CB 3.35Å; R240-L244 WeakPolarHBondContact O-CD1 3.3Å; R240-L244 VanDerWaalsContact O-CG 3.32Å; R240-L244 WeakPolarHBondContact O-CG 3.39Å; R240-L244 PolarHBondContact O-N 3.42Å; A241-L244 CarbonylContact O-C 3.55Å; A241-L244 PolarHBondContact O-N 3.23Å
245E69.1Low67.8Low144 Ų144110.9 Ų110.967%0.67357%0.566SS**Hα-helixtrans-82.7-17.8175-172.3178.8-171.100112A241 N242 D243A241-E245 WeakPolarHBondContact O-CB 3.35Å; A241-E245 PolarHBondContact O-N 3.44Å; N242-E245 PolarHBondContact O-N 2.89Å; D243-E245 VanDerWaalsContact C-N 3.34Å; D243-E245 PolarHBondContact O-N 2.9Å
246N68.4Low66.1Low116 Ų116117 Ų11762%0.6258%0.584SS**Hα-helixtrans-108.7-18.5-179.8-72.6-94000114N242 D243 D248N242-N246 WeakPolarHBondContact O-CB 3.36Å; N242-N246 PolarHBondContact O-N 3.22Å; N242-N246 PolarHBondContact O-ND2 3.28Å; D243-N246 PolarHBondContact O-N 2.87Å; N246-D248 PolarHBondContact O-N 2.86Å
247D64.1Low64.4Low132 Ų132118.2 Ų118.271%0.70659%0.592SS**  trans-71.940.6162.8-88.3-19.3000111.4D243 E249D243-D247 WeakPolarHBondContact O-CB 3.49Å; D243-D247 PolarHBondContact O-N 3.38Å; D247-E249 PolarHBondContact O-N 3.27Å
248D57.5Low62.5Low75 Ų75122.2 Ų122.240%0.40162%0.617SS.*  trans-79.286.7179.9-174.120.2000109.9N246 E250 R251N246-D248 PolarHBondContact O-N 2.86Å; D248-E250 PolarHBondContact O-N 3.11Å; D248-R251 PolarHBondContact O-N 2.92Å; D248-R251 VanDerWaalsContact O-N 3.11Å
249E60.7Low60.7Low168 Ų168123.2 Ų123.279%0.78563%0.633SS**THydrogen-bonded Turntrans-51.3-21.8-177.4-63.7-173.9-14800113.1D247 R251 D252D247-E249 PolarHBondContact O-N 3.27Å; E249-R251 PolarHBondContact O-N 2.93Å; E249-D252 PolarHBondContact O-N 3.05Å; E249-D252 VanDerWaalsContact O-N 3.16Å
250E57.7Low58.7Low132 Ų132123.9 Ų123.962%0.61765%0.648SS**Hα-helixtrans-60.7-24.7178.4-59.1-153.4160.200113.7D248 D252 I253 V254D248-E250 PolarHBondContact O-N 3.11Å; E250-D252 VanDerWaalsContact C-N 3.27Å; E250-D252 PolarHBondContact O-N 2.87Å; E250-I253 HydrophobicContact CG-CD1 4.45Å; E250-I253 WeakPolarHBondContact O-CB 3.29Å; E250-I253 PolarHBondContact O-N 2.6Å; E250-I253 VanDerWaalsContact O-N 3.14Å; E250-V254 PolarHBondContact O-N 3.13Å
251R56.6Low57.2Low180 Ų180121.7 Ų121.768%0.67965%0.652SS**Hα-helixtrans-65.5-26.4176.2-69.3-174.2179.9-105.30.3114.1D248 E249 Q255D248-R251 PolarHBondContact O-N 2.92Å; D248-R251 VanDerWaalsContact O-N 3.11Å; E249-R251 PolarHBondContact O-N 2.93Å; R251-Q255 PolarHBondContact O-NE2 3.15Å; R251-Q255 VanDerWaalsContact O-NE2 3.15Å
252D58.9Low55.2Low127 Ų127127 Ų12768%0.67967%0.673SS**Hα-helixtrans-86.1-23.9174.4-88.66.3000111.9E249 E250 V254 Q255E249-D252 PolarHBondContact O-N 3.05Å; E249-D252 VanDerWaalsContact O-N 3.16Å; E250-D252 VanDerWaalsContact C-N 3.27Å; E250-D252 PolarHBondContact O-N 2.87Å; D252-V254 VanDerWaalsContact C-N 3.3Å; D252-V254 PolarHBondContact O-N 3.11Å; D252-Q255 PolarHBondContact O-N 2.89Å
253I58.1Low53.5Low102 Ų102129 Ų12952%0.52369%0.694SS.*Hα-helixtrans-65.1-35.8174.2-56.9-179.5000110.9E250E250-I253 HydrophobicContact CG-CD1 4.45Å; E250-I253 WeakPolarHBondContact O-CB 3.29Å; E250-I253 PolarHBondContact O-N 2.6Å; E250-I253 VanDerWaalsContact O-N 3.14Å
254V57.3Low51.7Low125 Ų125130 Ų13076%0.75871%0.713SS**Hα-helixtrans-71.6-27.5176.9179.10000112.4E250 D252 R256E250-V254 PolarHBondContact O-N 3.13Å; D252-V254 VanDerWaalsContact C-N 3.3Å; D252-V254 PolarHBondContact O-N 3.11Å; V254-R256 VanDerWaalsContact C-N 3.26Å; V254-R256 PolarHBondContact O-N 3.22Å; V254-R256 VanDerWaalsContact O-N 3.11Å
255Q50.5Low49.8Very low139 Ų139127.9 Ų127.965%0.6572%0.716SS**  trans-87.240.5-176.7-71.3-179.987.200114R251 D252 P257R251-Q255 PolarHBondContact O-NE2 3.15Å; R251-Q255 VanDerWaalsContact O-NE2 3.15Å; D252-Q255 PolarHBondContact O-N 2.89Å; Q255-P257 WeakPolarHBondContact O-CD 3.15Å
256R46.2Very low48.6Very low201 Ų201127.4 Ų127.476%0.75873%0.725SS**  trans-66124169.5-75.8-177.8178.8167.94.2110.3V254 S258V254-R256 VanDerWaalsContact C-N 3.26Å; V254-R256 PolarHBondContact O-N 3.22Å; V254-R256 VanDerWaalsContact O-N 3.11Å; R256-S258 PolarHBondContact O-N 2.93Å
257P43.2Very low47.1Very low117 Ų117125.9 Ų125.976%0.7673%0.729SS**  trans-68.3118.6-177.126.2-33.7000111.1Q255 G259Q255-P257 WeakPolarHBondContact O-CD 3.15Å; P257-G259 PolarHBondContact O-N 3.22Å
258S38Very low45.9Very low135 Ų135126.3 Ų126.394%0.94474%0.736SS**SBendtrans-70.570.817145.80000110.9R256R256-S258 PolarHBondContact O-N 2.93Å
259G37.4Very low45Very low53 Ų53128.8 Ų128.855%0.54676%0.759SS.*  trans-151.521.4-167.800000115.8P257 T261P257-G259 PolarHBondContact O-N 3.22Å; G259-T261 PolarHBondContact O-N 3.1Å
260T35.9Very low43.8Very low143 Ų143125.3 Ų125.388%0.87775%0.753SS**  trans-76.457.6175.436.20000112.9
261T43Very low42.9Very low116 Ų116125.7 Ų125.771%0.71276%0.759SS**SBendtrans-124.488.5174.155.40000111.6G259G259-T261 PolarHBondContact O-N 3.1Å
262N35Very low41.8Very low162 Ų162125.4 Ų125.487%0.86677%0.768SS**  trans35.588.8152-59.5-20.9000117.9
263S39Very low40.7Very low122 Ų122123.8 Ų123.885%0.85377%0.772SS**  trans-154.2121.7157.5-84.40000113.6
264A37.2Very low39.7Very low101 Ų101124.1 Ų124.184%0.83578%0.784SS**  trans19.1113.3161.900000120.1
265A32.2Very low38.7Very low95 Ų95127.1 Ų127.179%0.78579%0.789SS**PPolyproline II helixtrans-74.8138.7156.600000111A267A265-A267 PolarHBondContact O-N 2.93Å
266P44.6Very low37.8Very low135 Ų135124 Ų12488%0.87780%0.795SS**PPolyproline II helixtrans-75.9121.3169.430.7-32000110
267A35.8Very low37.3Very low84 Ų84119.2 Ų119.269%0.69479%0.792SS**PPolyproline II helixtrans-95.9162.5-17900000112.9A265A265-A267 PolarHBondContact O-N 2.93Å
268V38.5Very low36.8Very low140 Ų140121 Ų12185%0.84879%0.792SS**  trans54.8112.1161.5-65.30000119.7
269S39.2Very low36.8Very low128 Ų128120.6 Ų120.690%0.89578%0.777SS**  -148.1132.8109.5-168.30000110.2
270S35.6Very low36.6Very low95 Ų95126.2 Ų126.266%0.66478%0.783SS**  trans-118.3135.3-171.456.80000111.9
271N37.9Very low36.5Very low139 Ų139128.6 Ų128.674%0.74378%0.781SS**  trans-167.9118.5145.5-92.4-29.2000107.8
272M34.5Very low36Very low175 Ų175132.9 Ų132.986%0.86279%0.785SS**  66.112591.5-71.3-159.7-176.900113.9
273A34.7Very low35.9Very low92 Ų92129.6 Ų129.676%0.7677%0.774SS**  cis-164.2168.9-4.300000112.9
274S38.6Very low35.8Very low110 Ų110132.1 Ų132.177%0.76978%0.778SS**  trans86.9128.2151.7-142.50000119.9
275Q35.9Very low35.7Very low187 Ų187138.1 Ų138.187%0.87478%0.779SS**  trans57.599.5163.2-56.9-161.916.400120.7
276G31Very low36Very low74 Ų74139 Ų13976%0.76378%0.779SS**  121.7138.4111.500000118.5
277S37Very low35.7Very low101 Ų101144.5 Ų144.571%0.70678%0.783SS**  trans67.8103.4163.5-152.80000118.1
278M31.1Very low35.5Very low153 Ų153144.3 Ų144.375%0.75479%0.788SS**  trans-66.5131.2156.1-71.6171.5164.700110Y280M278-Y280 HydrophobicContact CB-CD2 4.21Å; M278-Y280 HydrophobicContact CB-CE2 4.37Å; M278-Y280 HydrophobicContact CE-CE2 4.17Å; M278-Y280 HydrophobicContact CG-CE2 4.16Å; M278-Y280 HydrophobicContact SD-CD2 4.36Å; M278-Y280 HydrophobicContact SD-CE2 3.82Å
279M39Very low35.3Very low128 Ų128141.1 Ų141.163%0.63178%0.784SS**  trans-128.378.1160.2-79.1-71.115900109.5R282M279-R282 PolarHBondContact SD-NE 2.97Å
280Y33.1Very low35.2Very low170 Ų170144 Ų14467%0.66779%0.785SS**  trans-62.2142.2161.5-74.1-85000110M278 R282M278-Y280 HydrophobicContact CB-CD2 4.21Å; M278-Y280 HydrophobicContact CB-CE2 4.37Å; M278-Y280 HydrophobicContact CE-CE2 4.17Å; M278-Y280 HydrophobicContact CG-CE2 4.16Å; M278-Y280 HydrophobicContact SD-CD2 4.36Å; M278-Y280 HydrophobicContact SD-CE2 3.82Å; Y280-R282 PolarHBondContact O-N 2.85Å
281F33.3Very low35.1Very low193 Ų193149 Ų14985%0.84680%0.801SS**  trans17.284.1158.3-58.3-81.1000117S283F281-S283 PolarHBondContact O-N 3.41Å
282R32.6Very low35.2Very low207 Ų207147.9 Ų147.978%0.78180%0.804SS**  trans-80.7102.7164.1-82.4-171.8175.2-102.4-2.9110.5M279 Y280M279-R282 PolarHBondContact SD-NE 2.97Å; Y280-R282 PolarHBondContact O-N 2.85Å
283S32.9Very low35Very low93 Ų93142.5 Ų142.565%0.6579%0.793SS**  trans-67.3140.4165.251.10000110.9F281 R285F281-S283 PolarHBondContact O-N 3.41Å; S283-R285 PolarHBondContact O-N 3.01Å
284N38.1Very low35.1Very low174 Ų174143.1 Ų143.193%0.9379%0.792SS**SBendtrans-79.360.5171-88.9-13.5000111.2
285R33.3Very low34.9Very low227 Ų227144 Ų14486%0.85779%0.788SS**  trans-135.489169.8-80.4-168175.6-169.70.6111.6S283S283-R285 PolarHBondContact O-N 3.01Å
286S38.9Very low35.1Very low113 Ų113147 Ų14779%0.7979%0.791SS**  trans-150.1127.6162.1-65.50000106.2
287R37.9Very low35.2Very low252 Ų252147.3 Ų147.395%0.95180%0.795SS**  cis60.5115.816-152.1-178.3-165.2-165.45.3114.4
288G32.8Very low35.1Very low79 Ų79146.3 Ų146.381%0.81480%0.8SS**  trans96.5111.9179.400000112.3
289G33.5Very low35.3Very low73 Ų73151.3 Ų151.375%0.75381%0.811SS**  trans-111.9-176.817100000111.3
290M37.1Very low34.9Very low188 Ų188148.9 Ų148.993%0.92682%0.819SS**  trans-155.7144.8167.439.5-160.86900110.9
291M35Very low35Very low201 Ų201144.5 Ų144.599%0.9983%0.825SS**  trans-92.5116.3-176.8-65.4-177.9117.200111
292S39.4Very low35.1Very low116 Ų116141.8 Ų141.881%0.81183%0.83SS**  trans-151.3136.5144.2-161.70000106.2
293G30.9Very low34.9Very low62 Ų62135.1 Ų135.164%0.63983%0.826SS**  cis104.7112.520.700000108.3
294S35.9Very low34.9Very low104 Ų104136.3 Ų136.373%0.72783%0.834SS**  trans66109.9-177.3-810000120.1
295D33.4Very low34.7Very low129 Ų129140.1 Ų140.169%0.6984%0.835SS**  52.398.6112.5-48-54000119.4
296R40Very low34.7Very low249 Ų249133 Ų13394%0.9483%0.833SS**  167.5141.9104.4-88.6152.6-174.1-174.62.1114.2
297G34.5Very low34.2Very low82 Ų82131.1 Ų131.185%0.84583%0.832SS**  trans82.481.6136.200000118.8
298G34.8Very low34.2Very low79 Ų79126 Ų12681%0.81482%0.822SS**  trans-88128.2159.900000112.9
299R35.1Very low34.1Very low258 Ų258127.7 Ų127.797%0.97482%0.821SS**  trans-174.4143.7161.8-105.6179.1178.6-161.9-0.8107.9
300G31.4Very low34.2Very low77 Ų77133.1 Ų133.179%0.79482%0.82SS**  cis157.3150.8-5.300000111.4
301G34.7Very low34Very low78 Ų78131.6 Ų131.680%0.80482%0.815SS**  trans99.6129.1-177.700000112.4
302S34.9Very low33.9Very low136 Ų136129.5 Ų129.595%0.95180%0.803SS**  cis78.9110.327.6-161.90000114.8
303G28.8Very low33.5Very low67 Ų67133.7 Ų133.769%0.69180%0.801SS**  trans165.279172.800000119
304S33.3Very low33.5Very low118 Ų118138.5 Ų138.583%0.82581%0.807SS**  trans68.4144.8140.6-62.20000124.2
305R32.4Very low33.7Very low254 Ų254141.7 Ų141.796%0.95881%0.814SS**  trans75.6129.4164.2-63.5179.4176.9-176.2-1.4118.1
306G33.7Very low33.6Very low79 Ų79146.2 Ų146.281%0.81482%0.822SS**  trans158.9-17.716900000117.5
307G29.2Very low33.3Very low73 Ų73140.4 Ų140.475%0.75382%0.819SS**  trans-84.2121.1-174.800000114.6
308I36.7Very low33.4Very low145 Ų145140.1 Ų140.174%0.74482%0.816SS**  trans-111.8114.8163.7-66.6176.1000107.8Y310I308-Y310 HydrophobicContact CG2-CD2 4.17Å; I308-Y310 HydrophobicContact CG2-CE2 3.85Å
309S30.5Very low33.4Very low113 Ų113141.4 Ų141.479%0.7981%0.812SS**  trans-154.9103.3169.2-1720000109.9
310Y35.4Very low33.5Very low188 Ų188140.9 Ų140.974%0.73781%0.811SS**  trans-151.7150.8176-20-81.1000108I308I308-Y310 HydrophobicContact CG2-CD2 4.17Å; I308-Y310 HydrophobicContact CG2-CE2 3.85Å
311N34.9Very low33.6Very low155 Ų155141.2 Ų141.283%0.82981%0.814SS**  cis-164.1167.7-34.4-147.2-38.9000106.7R313N311-R313 PolarHBondContact O-N 2.75Å
312Q31.3Very low33.6Very low157 Ų157141.8 Ų141.873%0.73482%0.819SS**  trans-83.4112.2176-66.7175.6-7.100112.3
313R31.4Very low33.6Very low205 Ų205139.8 Ų139.877%0.77481%0.812SS**  178149.5124.2-104164.4-91.4-139.3-8.7116.3N311N311-R313 PolarHBondContact O-N 2.75Å
314E30.7Very low34.2Very low162 Ų162144 Ų14476%0.75781%0.813SS**  trans28.8119.9143-61.9164.8117.600120.2
315I39.5Very low34.2Very low172 Ų172146 Ų14688%0.88281%0.809SS**  -167.8164.6110.6-96157.2000110.3
316R31.9Very low34.4Very low224 Ų224143.4 Ų143.485%0.84580%0.8SS**  trans-81.9159.7-158.1-57.2171.3178.8-174.7-2.4115.7
317S33Very low34.5Very low127 Ų127145.7 Ų145.789%0.88879%0.793SS**  trans69.2129.2147540000121
318G37.3Very low34.8Very low76 Ų76152.8 Ų152.878%0.78480%0.799SS**  trans129.762.7173.200000113.6
319S35.5Very low34.5Very low105 Ų105154.4 Ų154.473%0.73480%0.803SS**  78.4113.375.9-165.20000115.2
320R36Very low35Very low248 Ų248154.5 Ų154.594%0.93680%0.804SS**  trans63.1119.3167.9-57.5172.3176.6-169.5-3116.4
321G35.4Very low35Very low84 Ų84148.5 Ų148.587%0.86680%0.799SS**  cis147.4154.32100000108.3
322G34Very low34.9Very low89 Ų89149.5 Ų149.592%0.91880%0.798SS**  trans141.860.3177.400000115.5
323A34.9Very low35.2Very low95 Ų95150.3 Ų150.379%0.78580%0.802SS**  trans-110.5138.6174.400000111.2
324Q41.5Very low35.4Very low156 Ų156144.2 Ų144.273%0.72980%0.803SS**  trans-142.182.2152.3-76.7-151.619.700110.1
325Q32.6Very low35.5Very low158 Ų158141.3 Ų141.374%0.73880%0.8SS**  trans-82.5140.1147-176.3172.8-700106.5
326R36.1Very low35.3Very low200 Ų200143.7 Ų143.776%0.75580%0.8SS**  trans-141.6101.6174.5-107.3-165.8-79.7173.3-3.1110.9
327D36.3Very low35.7Very low127 Ų127141.7 Ų141.768%0.67980%0.8SS**  trans-74.4165.2170.8-44.4-82.9000110.5
328Y35.2Very low35.6Very low223 Ų223139 Ų13988%0.87579%0.792SS**  trans-94133.2179.5-53.5-98.6000110
329E32.2Very low35.4Very low179 Ų179146.4 Ų146.484%0.83680%0.797SS**  trans-174.6150.9143.8-158.556.5-16800111.7
330S40.2Very low35.4Very low115 Ų115149.6 Ų149.680%0.80480%0.804SS**  trans54.3123.9154-173.20000122.4
331G35.4Very low35.4Very low62 Ų62142.6 Ų142.664%0.63980%0.8SS**  trans111.8105.6150.600000114.8
332H33.3Very low35.4Very low175 Ų175144.2 Ų144.281%0.8180%0.798SS**  74.914676.3-93.357.7000116.7
333H36.4Very low35.6Very low175 Ų175145 Ų14581%0.8180%0.795SS**  trans50.2113.8166.949.9-115.5000120.7
334G36Very low35.6Very low76 Ų76145.6 Ų145.678%0.78479%0.794SS**  106.6112.7108.800000117.6
335S34.1Very low35.3Very low102 Ų102148 Ų14871%0.71380%0.796SS**  trans-52.3143.8161.654.20000113.6
336Y35Very low35.8Very low222 Ų222150.2 Ų150.287%0.87180%0.799SS**  -162.1167.7123.7-103.1-63000112.1
337Q38.9Very low35.9Very low181 Ų181147.6 Ų147.685%0.84680%0.796SS**  trans-95.2128.1-167.3-60.5157.2-73.900113.6
338G31Very low36.4Very low70 Ų70146.7 Ų146.772%0.72280%0.796SS**  87.5165.8119.300000121.3
339R34.4Very low36.5Very low233 Ų233142.7 Ų142.788%0.87979%0.786SS**  trans72.9122-177.2-56.5-177.2-177.1-97.3-0114.7
340L35.7Very low37Very low171 Ų171138.8 Ų138.890%0.89578%0.776SS**  cis92.3106.334.5-68.9169.2000114.8
341A34.2Very low37.2Very low102 Ų102141.9 Ų141.984%0.84378%0.78SS**  trans-152.8154.5153.200000106.5
342S36.1Very low37.7Very low118 Ų118142.3 Ų142.383%0.82578%0.784SS**  cis-152.6131.62.7-169.90000111.1
343A39.1Very low38.3Very low104 Ų104139.3 Ų139.386%0.8678%0.78SS**  trans-161140.1156.700000108
344S35Very low38.6Very low109 Ų109139.5 Ų139.576%0.76278%0.783SS**  trans-139.9138-165.8176.70000113.4
345R34.6Very low38.9Very low205 Ų205140.4 Ų140.477%0.77478%0.778SS**  trans-161.3145.6143.6-132.6172-80-157.2-0.4113.6
346Y42.5Very low39.1Very low205 Ų205142.9 Ų142.980%0.80478%0.783SS**  trans83146.9171.3-56.9-70.1000119.5
347H37.9Very low39.1Very low146 Ų146136.6 Ų136.668%0.67677%0.772SS**  trans-137.6-179.2-163.2-136.649.9000106.3Q349H347-Q349 PolarHBondContact NE2-NE2 3.37Å
348P46.5Very low39.2Very low107 Ų107133 Ų13370%0.69577%0.766SS**  cis-140163.711.243.6-25.6000117.9
349Q38.2Very low39.5Very low140 Ų140138.7 Ų138.765%0.65477%0.774SS**  34164.1125.9-53.6-66.5-1800122.7H347H347-Q349 PolarHBondContact NE2-NE2 3.37Å
350P43.7Very low39.8Very low96 Ų96132.6 Ų132.662%0.62377%0.765SS**  cis-134.5-174.9-0.830.3-6.9000116.4
351M43.9Very low39.8Very low181 Ų181131.2 Ų131.289%0.89276%0.763SS**  trans71.1135.6166.8-44.2-56-163.400117.5
352G46.1Very low39.9Very low70 Ų70132.3 Ų132.372%0.72276%0.762SS**  cis114.4149.3-6.800000114.5
353P45.1Very low39.8Very low112 Ų112135.7 Ų135.773%0.72777%0.765SS**  cis-138.1-178.7-10.243.9-27.3000115.7
354M43.5Very low39.4Very low179 Ų179137.3 Ų137.388%0.88276%0.764SS**  trans68.6149.7151.5-75.7163.2169.700120
355S42.6Very low39.4Very low95 Ų95137.3 Ų137.366%0.66476%0.763SS**  cis-165.5145.6-10.148.20000113.2
356N36.4Very low39.3Very low155 Ų155132.8 Ų132.883%0.82976%0.763SS**  trans47150140-70.114000122.8
357S36.2Very low38.9Very low90 Ų90135.3 Ų135.363%0.62977%0.771SS**  cis-176.1158-16.2510000110.7
358S39.8Very low38.6Very low105 Ų105131.5 Ų131.573%0.73477%0.771SS**  trans70.1115.3161.3-50.70000116.5
359Q37.7Very low38.1Very low190 Ų190137 Ų13789%0.88878%0.78SS**  98145.151.5-83.4-152.2-33.500113.7
360P40.4Very low38.2Very low105 Ų105139.3 Ų139.368%0.68279%0.788SS**  -136167.4-125.342.9-28.1000117.1
361T35.4Very low37.8Very low141 Ų141140.9 Ų140.987%0.86579%0.791SS**  trans-151.2110.2155.526.10000110.6
362P37.2Very low37.4Very low125 Ų125139 Ų13981%0.81278%0.784SS**  trans-93.7117.5169.732.5-27.7000111.1
363Q34.5Very low37.1Very low189 Ų189139.4 Ų139.488%0.88377%0.773SS**  trans-75.2166.3159.8-67.8178.1-82.800110.7S365Q363-S365 PolarHBondContact O-N 3.37Å
364V29.8Very low37.1Very low139 Ų139138.9 Ų138.984%0.84277%0.768SS**  trans-33.7123.5164.7-179.60000113.4
365S35.5Very low37.1Very low108 Ų108136.6 Ų136.676%0.75576%0.755SS**  trans-172.2110.1142.7-840000114.4Q363Q363-S365 PolarHBondContact O-N 3.37Å
366S32.5Very low37.1Very low110 Ų110139.1 Ų139.177%0.76976%0.76SS**  trans-4.5131.6140.3420000120.7
367R34.7Very low37.3Very low259 Ų259140.2 Ų140.298%0.97775%0.753SS**  trans-154.8132.7145.2-91.5-178.7177.8-179.2-1.1108.1
368G31.8Very low37.7Very low65 Ų65143.5 Ų143.567%0.6776%0.756SS**  cis155.3106.8-9.600000112
369Y35.5Very low37.8Very low223 Ų223147.3 Ų147.388%0.87576%0.76SS**  trans-132.191.6172.7-92.1-77.3000112
370K39.9Very low38.2Very low189 Ų189142.5 Ų142.582%0.82275%0.747SS**  trans40.1119.8146.2-56.4-175.8-178.9-179.80119.5
371D35Very low38.3Very low128 Ų128144.6 Ų144.668%0.68475%0.747SS**  trans-56.9151.9168.2-56.1-98.8000115T373D371-T373 PolarHBondContact OD1-OG1 2.72Å
372N35.8Very low38.6Very low141 Ų141145.9 Ų145.975%0.75474%0.744SS**  trans-138.842.6150.7-106.3-10.9000109.8T374N372-T374 VanDerWaalsContact C-N 3.29Å; N372-T374 PolarHBondContact O-N 3.43Å
373T40.9Very low38.6Very low80 Ų80150.9 Ų150.949%0.49175%0.748SS.*THydrogen-bonded Turntrans-85.59.3-17150.50000114.6D371D371-T373 PolarHBondContact OD1-OG1 2.72Å
374T43.9Very low38.6Very low101 Ų101152.8 Ų152.862%0.6275%0.747SS**THydrogen-bonded Turntrans-95.6-31.1-176.641.90000115N372N372-T374 VanDerWaalsContact C-N 3.29Å; N372-T374 PolarHBondContact O-N 3.43Å
375E42.9Very low39.1Very low130 Ų130154.3 Ų154.361%0.60775%0.749SS**SBendtrans-76.5-44.8-176.8-67.3-54.7117.800112.7R377 K378E375-R377 PolarHBondContact O-N 2.86Å; E375-K378 PolarHBondContact O-N 3.41Å
376L42.8Very low39.2Very low149 Ų149154.3 Ų154.378%0.7876%0.756SS**Hα-helixtrans-61.4-16.7-177.9-81.3162000114.3
377R41.7Very low39.6Very low177 Ų177156.1 Ų156.167%0.66876%0.757SS**Hα-helixtrans-87.8-6.5177.9-149-179.1-59.5-179.24.2114E375E375-R377 PolarHBondContact O-N 2.86Å
378K43.6Very low39.8Very low160 Ų160150.1 Ų150.170%0.69675%0.745SS**Hα-helixtrans-83.3-43.8173.9-101.4-175.4171.1-176.60112.7E375 S380E375-K378 PolarHBondContact O-N 3.41Å; K378-S380 VanDerWaalsContact C-N 3.27Å; K378-S380 PolarHBondContact O-N 3.18Å
379F43.1Very low40.1Very low185 Ų185156.7 Ų156.781%0.81176%0.755SS**Hα-helixtrans-68.5-23.2-179.3-98.6-88.1000113.8Q381F379-Q381 VanDerWaalsContact C-N 3.28Å; F379-Q381 PolarHBondContact O-N 2.95Å
380S45.3Very low40.2Very low89 Ų89152 Ų15262%0.62275%0.749SS**THydrogen-bonded Turntrans-83.714.5-175.282.40000115.3K378K378-S380 VanDerWaalsContact C-N 3.27Å; K378-S380 PolarHBondContact O-N 3.18Å
381Q42.6Very low40.3Very low148 Ų148149 Ų14969%0.69275%0.749SS**THydrogen-bonded Turntrans-122.1-15.3-178-66.1-162.9-6.800115.2F379F379-Q381 VanDerWaalsContact C-N 3.28Å; F379-Q381 PolarHBondContact O-N 2.95Å
382E42.7Very low40.2Very low168 Ų168148 Ų14879%0.78575%0.748SS**SBendtrans-86.2-18-169.4-153.3148.5-139.700113.9R384E382-R384 PolarHBondContact O-N 3.43Å
383Y36.2Very low40.3Very low231 Ų231147.6 Ų147.691%0.90675%0.75SS**THydrogen-bonded Turntrans-95.753177.3-91.2-88.9000113.9
384R35.1Very low40.1Very low229 Ų229152.2 Ų152.286%0.86477%0.766SS**THydrogen-bonded Turntrans-141.718.8174.1-86.2-159.6177.1177.90.6117E382E382-R384 PolarHBondContact O-N 3.43Å
385L39.4Very low39.7Very low170 Ų170151.3 Ų151.389%0.8978%0.776SS**  trans-142.792.5170-77.199.2000113.4
386A38.8Very low39.6Very low108 Ų108150.3 Ų150.389%0.89378%0.784SS**  trans-169.1102.7155.300000110
387D40.1Very low39.1Very low148 Ų148149.2 Ų149.279%0.79178%0.784SS**  trans-100.7148.4-175.7-127.5-34.5000112.4
388N38.5Very low38.8Very low134 Ų134146.4 Ų146.472%0.71779%0.791SS**  trans41.6117155.8-70.6-65.3000121.4
389K38Very low38.5Very low202 Ų202143.6 Ų143.688%0.87879%0.791SS**  -175.2146.7108.2-103.6168.4-178-64.90115.3
390V38.8Very low38.3Very low124 Ų124140.4 Ų140.475%0.75279%0.792SS**  trans-118.7150.2171.1177.80000109.3
391P41.4Very low37.8Very low126 Ų126141.2 Ų141.282%0.81880%0.798SS**  trans-132.3159147.236.3-23.7000114.1
392T32.4Very low37.9Very low109 Ų109139.1 Ų139.167%0.66980%0.797SS**  trans-133.1139.3-168-33.40000112.1
393T38.3Very low37.9Very low132 Ų132137.4 Ų137.481%0.8180%0.798SS**  trans-160.8140164.126.60000108.3
394H35.9Very low38.2Very low177 Ų177132.4 Ų132.482%0.81979%0.794SS**  cis117.6116.812.4-79.6-48.1000110.8
395G36.6Very low38.3Very low81 Ų81133.3 Ų133.384%0.83580%0.797SS**  trans174.7105.9175.800000117.7
396S39.6Very low38.3Very low109 Ų109131 Ų13176%0.76279%0.793SS**  trans-25.7139.9163.2-50.30000118.4
397T32.4Very low38.7Very low127 Ų127131.3 Ų131.378%0.77979%0.788SS**  cis82.1138.247.867.20000117.9
398S37Very low38.8Very low117 Ų117130.6 Ų130.682%0.81879%0.789SS**  trans74.8154.6169.978.70000118.6
399S35.8Very low38.8Very low101 Ų101132.3 Ų132.371%0.70680%0.795SS**  cis-171.7175.5-26.860.30000112
400S38.6Very low39Very low119 Ų119129 Ų12983%0.83279%0.791SS**  trans83.9166158.681.10000121.1
401S35.5Very low39Very low106 Ų106131.3 Ų131.374%0.74179%0.794SS**  trans-168.7-160.8-164.864.60000108.4
402P45.3Very low39Very low103 Ų103132.8 Ų132.867%0.66979%0.794SS**  cis-133.8-165-25.328.6-4.5000113.8
403T43.1Very low39.2Very low132 Ų132138.4 Ų138.481%0.8180%0.803SS**  trans113141.8146.870.20000121
404P41.9Very low39.4Very low126 Ų126137.1 Ų137.182%0.81881%0.806SS**  trans-127.1-178-175.545-31.6000116.2
405R37.4Very low39.4Very low249 Ų249132.3 Ų132.394%0.9480%0.804SS**  trans-147.2142.8164.9-89.8-170.1170-142-0.8112.9
406P40.1Very low40.3Very low122 Ų122134.3 Ų134.379%0.79280%0.802SS**  trans-112.7167.417540.2-32.9000114.9
407S46.6Very low40.9Very low114 Ų114135.1 Ų135.180%0.79781%0.805SS**  trans-161.3117.9162.5-78.70000109.9
408V41.4Very low41.3Very low132 Ų132140.4 Ų140.480%0.881%0.811SS**  86.595.487.9172.20000114.5
409M39.4Very low41.6Very low171 Ų171141.1 Ų141.184%0.84282%0.815SS**  52.8126.3123.1-159.9173.6-17500121.3
410T42Very low41.8Very low132 Ų132141.5 Ų141.581%0.8183%0.825SS**  168.9150.5120.9-71.50000111.8
411Q37.8Very low41.9Very low172 Ų172139.1 Ų139.180%0.80482%0.819SS**  trans-92158.7176.1-56.4178.73.200112.2
412L41.1Very low42.2Very low158 Ų158146.3 Ų146.383%0.82783%0.83SS**  171.3130.4125.4-92.3161.5000115.2
413R38Very low42Very low227 Ų227145 Ų14586%0.85784%0.836SS**  trans59.696.6130.4-159.9174.3-167.7169.34122.4
414A41.2Very low42Very low104 Ų104144.8 Ų144.886%0.8684%0.839SS**  61.8132.6129.900000123.3
415G37.5Very low42Very low76 Ų76141.7 Ų141.778%0.78483%0.83SS**  trans135.1112.7147.200000118.1
416P54.7Low42.3Very low123 Ų123137.3 Ų137.380%0.79983%0.825SS**  trans-106.3151.7158.337.8-29.8000111.1
417P52.8Low42.3Very low126 Ų126135.8 Ų135.882%0.81882%0.823SS**  -153.217279.641.1-21.6000118.4
418R40.4Very low42Very low239 Ų239135.5 Ų135.590%0.90283%0.827SS**  trans-20.8140.3163.7-56.8169.6172-174.1-4.9118.6
419S42.3Very low41.8Very low131 Ų131133.6 Ų133.692%0.91683%0.826SS**  -176178.5119.148.20000112.3
420A40.4Very low41.9Very low109 Ų109133.1 Ų133.190%0.90183%0.826SS**  trans-108.9159.3-151.700000117.4
421G40.9Very low41.9Very low69 Ų69131.1 Ų131.171%0.71182%0.824SS**  trans-168.5140.9153.300000109
422R41.3Very low42Very low257 Ų257126.3 Ų126.397%0.9782%0.82SS**  cis115.5120.918.9-98.6-160.6170.6-135.90.3111.1
423G42Very low42Very low77 Ų77125.3 Ų125.379%0.79482%0.821SS**  trans110.5156.4166.500000115
424S42.2Very low42.2Very low127 Ų127122 Ų12289%0.88882%0.815SS**  cis-171161.2-23.6-141.30000110.2
425G43Very low42.1Very low60 Ų60125.5 Ų125.562%0.61981%0.806SS**  trans104.3126.917700000112.1
426D43.3Very low42.4Very low158 Ų158128.2 Ų128.285%0.84580%0.798SS**  cis77.2139.630.6-51.2-55.5000114.6
427A40.6Very low41.9Very low89 Ų89129.6 Ų129.674%0.73679%0.794SS**  cis-171.8173-18.600000111
428A39Very low41.5Very low108 Ų108128.3 Ų128.389%0.89379%0.788SS**  trans71.6175.1155.900000120
429A38.8Very low41.7Very low93 Ų93123.8 Ų123.877%0.76979%0.787SS**  trans-151.7160-164.300000114.3
430N41.4Very low41.7Very low160 Ų160120.8 Ų120.886%0.85678%0.777SS**  trans-165.4148.1159.2-93.6-36.3000107.1
431A40.4Very low41.8Very low91 Ų91123.9 Ų123.975%0.75277%0.77SS**  cis85.8131.427.900000115.2
432G39.7Very low41.9Very low71 Ų71125.6 Ų125.673%0.73276%0.763SS**  trans99.3121.7-177.200000113.3
433T41.5Very low41.9Very low136 Ų136119.8 Ų119.883%0.83475%0.751SS**  cis115137.410.5-64.50000113.1
434Q42.1Very low41.7Very low157 Ų157120.8 Ų120.873%0.73475%0.746SS**  trans96.6119.8164.7-87.3-170.940.400122.6
435R40.2Very low41.7Very low179 Ų179120.4 Ų120.468%0.67574%0.74SS**  87.8113.8129.8-79.7-176.3170.4-135.1-0.2122.9
436Q43.7Very low42.1Very low133 Ų133122.9 Ų122.962%0.62175%0.745SS**  76.1148129.2-67.8175.2-3.300117.6
437Q43.4Very low42Very low151 Ų151125 Ų12571%0.70675%0.75SS**  cis-158.6149.27.9-133.1169.996.300111.4
438S45.2Very low41.8Very low100 Ų100126.7 Ų126.770%0.69976%0.757SS**  trans56.5147.1153.750.10000120.9
439T44.9Very low41.9Very low144 Ų144125.2 Ų125.288%0.88375%0.752SS**  cis-166.3153.8-2.516.30000110.5
440G41Very low41.8Very low67 Ų67133.1 Ų133.169%0.69176%0.762SS**  trans119.899.2167.100000113.1
441K43.8Very low41.6Very low174 Ų174129 Ų12976%0.75776%0.756SS**  80127.956.4-68.1-163.6132.9-69.70112.9
442D42.2Very low41.6Very low105 Ų105133.6 Ų133.656%0.56176%0.763SS**  cis-152.31542.3-87.8-32.1000112.4
443D41.8Very low41.4Very low136 Ų136136.5 Ų136.573%0.72777%0.766SS**  trans40.4156.4140.2-69.6-51.8000124.1
444S38Very low41.3Very low97 Ų97140.1 Ų140.168%0.67877%0.77SS**  cis-171.8167.2-22.6-105.40000109.6
445P40.8Very low41.1Very low119 Ų119141.2 Ų141.277%0.77378%0.775SS**  trans-101.6-154.9-172.745.6-39.5000113.2
446P51.5Low41.1Very low113 Ų113137.4 Ų137.473%0.73478%0.782SS**  -114.7153.8-118.133.9-14.8000116.2
447H42.3Very low40.9Very low201 Ų201139.1 Ų139.193%0.93179%0.79SS**  trans-147.8160.4172.2-110.927.5000115.6
448S36.4Very low40.5Very low126 Ų126141.8 Ų141.888%0.88180%0.795SS**  trans-84.8138.1-175.9-176.60000112.6
449G40.4Very low40.1Very low77 Ų77148.8 Ų148.879%0.79481%0.806SS**  trans-144.5111.7-178.400000113.1
450R36.6Very low39.7Very low259 Ų259151.8 Ų151.898%0.97780%0.801SS**  trans-96.7110.3-175175.6-176.5179.91780.6110.9
451G37.5Very low39.6Very low72 Ų72153.7 Ų153.774%0.74280%0.799SS**  trans-147.3105.8-174.500000116.4
452Q40.3Very low39.1Very low189 Ų189152.4 Ų152.488%0.88381%0.806SS**  trans6.4110.6157.7-53.7-171.722.800118.4
453V35.7Very low38.9Very low132 Ų132155.6 Ų155.680%0.882%0.815SS**  68.811187.3174.20000115.4
454K40.1Very low38.6Very low212 Ų212156.4 Ų156.492%0.92282%0.819SS**  trans-148.3119.4138.1-114.9174.3-176.7176.60109.1
455Q36.9Very low38.3Very low179 Ų179158 Ų15884%0.83682%0.824SS**  trans-109.5149172.8-71.2-176.9-5.700109.8
456A40.5Very low38.2Very low100 Ų100158 Ų15883%0.82682%0.824SS**  trans-147.683157.200000105
457E40.1Very low37.2Very low169 Ų169161.3 Ų161.379%0.7983%0.83SS**  64.191.469.1-164.2-177.9-142.200112.7
458Y34.8Very low36.8Very low206 Ų206156.6 Ų156.681%0.80882%0.82SS**  trans-148.9102137.7-129.7-86.1000110
459R36.2Very low36.6Very low248 Ų248160.2 Ų160.294%0.93682%0.823SS**  trans-134.1100.1176.9-146.8-176.1-166.4-161.35.3109.6
460R37.6Very low36.3Very low207 Ų207159.6 Ų159.678%0.78182%0.817SS**  trans-151.3143.6175.1-75.3-168.1-176.5-172.83.6109.5
461T37.1Very low36.2Very low106 Ų106155.3 Ų155.365%0.6581%0.812SS**  cis-155.1131-24.4-65.60000105.8K463T461-K463 HydrophobicContact CG2-CB 4.42Å; T461-K463 HydrophobicContact CG2-CD 4.4Å
462V33.6Very low36.2Very low147 Ų147158.2 Ų158.289%0.89181%0.811SS**  trans-82.2118.3171.2-161.10000108.5
463K39.5Very low36Very low172 Ų172154.2 Ų154.275%0.74880%0.796SS**  trans-162.2106.1173.1-116.2169-173.8-178.50115.3T461T461-K463 HydrophobicContact CG2-CB 4.42Å; T461-K463 HydrophobicContact CG2-CD 4.4Å
464N35.1Very low36.2Very low154 Ų154158.5 Ų158.582%0.82480%0.797SS**  trans62.7144.9135.2-59.114.6000123
465V31.8Very low36Very low130 Ų130152.8 Ų152.879%0.78878%0.784SS**  trans-96.1143.9-179.3170.60000111Q467V465-Q467 HydrophobicContact CG1-CB 4.29Å
466P38.2Very low36.2Very low118 Ų118152.8 Ų152.877%0.76679%0.786SS**  -133.9154.611237.2-27.2000111.4
467Q30.6Very low36.2Very low184 Ų184151.5 Ų151.586%0.8678%0.783SS**  cis83.480.224.1-159-173.615.700117V465V465-Q467 HydrophobicContact CG1-CB 4.29Å
468S35.1Very low36.2Very low102 Ų102150.5 Ų150.571%0.71378%0.783SS**  trans-170.5115.5154.656.70000110.3
469Q31.7Very low36.6Very low201 Ų201145.7 Ų145.794%0.93978%0.779SS**  89.4145.189.3-75.7179.61.300116
470G33.1Very low36.8Very low65 Ų65138.2 Ų138.267%0.6777%0.771SS**  trans109.6105.7-17700000112.1
471L35.3Very low37Very low169 Ų169138 Ų13889%0.88578%0.776SS**  63.2129.960.7-54.1176.2000111.7
472D37.6Very low37.1Very low132 Ų132139.9 Ų139.971%0.70678%0.781SS**  cis-164.1169.18.2-145.517.5000108.1
473N36.2Very low37.4Very low106 Ų106138.7 Ų138.757%0.56777%0.774SS**  cis-165.8179.7-1-153.2-43.2000109.3
474R38.6Very low37.4Very low221 Ų221135 Ų13583%0.83477%0.77SS**  trans71.9148.3152.7-69.4165.4-162.2-163.53.3120.1
475S36.3Very low37.4Very low92 Ų92132.5 Ų132.564%0.64377%0.765SS**  cis-170155.5-18.6-165.30000111.7
476M42.5Very low37.7Very low179 Ų179135.8 Ų135.888%0.88277%0.771SS**  trans65.6146.7174-34.6-57-81.500115.1
477G39.4Very low37.7Very low73 Ų73134.3 Ų134.375%0.75377%0.769SS**  cis156.6160.5-1.100000108.5
478D40.6Very low38Very low148 Ų148133 Ų13379%0.79177%0.767SS**  cis-166.5169.6-8.5-155.7-25.9000108.9
479S42.2Very low38.3Very low106 Ų106133.8 Ų133.874%0.74177%0.77SS**  trans62.6122.2173.5-61.40000118.4
480A40.1Very low38.5Very low91 Ų91131.6 Ų131.675%0.75276%0.763SS**  cis104131.910.800000117.3
481K43.6Very low38.7Very low203 Ų203132 Ų13288%0.88377%0.766SS**  trans120147.9166-69.5159.3-173.9172.70114.3
482N37.8Very low38.8Very low144 Ų144129.6 Ų129.677%0.7776%0.764SS**  cis-177.9147.8-40.7-124.518.2000109.2
483V41.1Very low38.9Very low123 Ų123127.5 Ų127.575%0.74577%0.765SS**  trans52.2136.41361700000119.1
484S39.5Very low39.3Very low95 Ų95127.7 Ų127.766%0.66478%0.775SS**  cis-164.9156.6-2.5-102.90000106.8
485S35.3Very low39.3Very low101 Ų101122.7 Ų122.771%0.70677%0.774SS**  cis84.278.839.187.80000116.8
486E37.8Very low40Very low199 Ų199123.8 Ų123.893%0.9378%0.779SS**  trans-170.6165.6159.6-95.2-168.7121.600107.8
487A37Very low40Very low87 Ų87122.9 Ų122.972%0.71977%0.772SS**  cis-169.9168.1-31.700000108.5
488L38.1Very low39.9Very low157 Ų157127 Ų12782%0.82277%0.772SS**  trans-92.9154.8-176.5-60.7172000113.5
489P41.6Very low40Very low117 Ų117125.5 Ų125.576%0.7677%0.77SS**  -140.8153.298.131.4-14000113.3
490I35.5Very low40Very low156 Ų156127.1 Ų127.180%0.878%0.776SS**  79.7121.950.4-61.3171.7000114.3
491G37.4Very low39.9Very low72 Ų72129 Ų12974%0.74278%0.778SS**  trans137.8115.3175.100000112.5
492S36Very low39.6Very low119 Ų119125 Ų12583%0.83277%0.77SS**  cis114.588.33.6-56.50000115.2
493A40.8Very low39.6Very low88 Ų88126.9 Ų126.973%0.72778%0.775SS**  trans-164.3116164.500000107.9
494S43.1Very low39.5Very low110 Ų110131.2 Ų131.277%0.76978%0.777SS**  63.3128.879.1720000113.9
495S39.5Very low39.3Very low117 Ų117136 Ų13682%0.81879%0.789SS**  cis-152176.219.7-960000113.7
496P51.2Low39.4Very low115 Ų115136.8 Ų136.875%0.74779%0.79SS**  trans-122.1-147.4-160.745.2-31.9000115.2
497E41.5Very low39.4Very low160 Ų160133 Ų13375%0.74879%0.785SS**  trans91.8143.4175.5-53-156.892.900116.5
498Q37.4Very low39.5Very low159 Ų159134.2 Ų134.274%0.74379%0.789SS**  cis-149.9152.45.6-142.9167.663.900112.7
499P43Very low39.2Very low117 Ų117131.8 Ų131.876%0.7679%0.791SS**  trans-123.6162-176.141.9-31000116.6
500T41.7Very low38.9Very low139 Ų139131.5 Ų131.585%0.85379%0.792SS**  trans-158.9148.5160.147.60000110.1
501T39.4Very low39Very low130 Ų130129.2 Ų129.280%0.79879%0.79SS**  cis-158.8153.1-19.5-750000107.2
502V37.5Very low39.1Very low119 Ų119133.3 Ų133.372%0.72179%0.793SS**  trans-127.3125.4-174175.40000113R504V502-R504 HydrophobicContact CG1-CB 4.16Å
503E37.3Very low39.6Very low185 Ų185136.1 Ų136.186%0.86479%0.791SS**  trans-149.1124.6150.8-82.8-169131.400107
504R37.9Very low39.6Very low213 Ų213137.1 Ų137.180%0.80479%0.793SS**  cis83.567.116.6-149.1-175.6-151.7-119.64.6116.5V502V502-R504 HydrophobicContact CG1-CB 4.16Å
505Q36.7Very low39.7Very low195 Ų195138.1 Ų138.191%0.91179%0.794SS**  trans-117.7126.5149.7-70.7-165.7-3.200111.1
506T36.6Very low40.1Very low119 Ų119137.3 Ų137.373%0.7379%0.786SS**  trans-105.7122.8178.548.60000110.1
507S38.9Very low39.9Very low118 Ų118140.1 Ų140.183%0.82579%0.794SS**  trans-158.4101.4166.7-79.40000112.6
508S37.4Very low40.6Very low113 Ų113137.1 Ų137.179%0.7978%0.782SS**  trans31.5127.7140.858.50000121.8
509A31.8Very low41.6Very low106 Ų106135.1 Ų135.188%0.87678%0.783SS**  trans6781.214200000118.6
510S37.3Very low42.3Very low111 Ų111136.4 Ų136.478%0.77678%0.784SS**  trans-105.1125.3155.5540000110.8I512S510-I512 PolarHBondContact O-N 3.1Å
511S36.2Very low42.8Very low109 Ų109132.7 Ų132.776%0.76277%0.767SS**  trans-66.8114.8171.7173.90000109.6K513S511-K513 PolarHBondContact O-N 3.01Å; S511-K513 VanDerWaalsContact O-N 3.16Å
512I41Very low43.6Very low157 Ų157135.6 Ų135.681%0.80577%0.772SS**  trans-72.8107.9170.8-62-179.1000107.5S510S510-I512 PolarHBondContact O-N 3.1Å
513K44.6Very low44.2Very low178 Ų178136.4 Ų136.477%0.77477%0.768SS**  trans-66148.3174.5-65.3171.6-179.6174.10109.7S511 V515S511-K513 PolarHBondContact O-N 3.01Å; S511-K513 VanDerWaalsContact O-N 3.16Å; K513-V515 PolarHBondContact O-N 3.42Å
514S40.8Very low44.3Very low110 Ų110137.2 Ų137.277%0.76977%0.769SS**  trans-45.412216853.10000111.9P516S514-P516 WeakPolarHBondContact O-CD 3.46Å
515V46.8Very low45.1Very low131 Ų131136.3 Ų136.379%0.79477%0.765SS**  trans-78115.4162.2178.90000106.6K513 L517K513-V515 PolarHBondContact O-N 3.42Å; V515-L517 PolarHBondContact O-N 2.85Å
516P47.9Very low45.9Very low100 Ų100132.4 Ų132.465%0.64976%0.757SS**  trans-72124.3178.829.1-32.7000109.9S514 N518S514-P516 WeakPolarHBondContact O-CD 3.46Å; P516-N518 PolarHBondContact O-N 3.05Å
517L46.4Very low46.3Very low174 Ų174135.3 Ų135.391%0.91176%0.764SS**SBendtrans-67.5119.4166.3-76.5163.9000108.6V515V515-L517 PolarHBondContact O-N 2.85Å
518N55.1Low46.5Very low96 Ų96137.4 Ų137.451%0.51376%0.761SS.*  trans36.999.9174.1-169.615.3000116.9P516 D520 A521P516-N518 PolarHBondContact O-N 3.05Å; N518-D520 PolarHBondContact O-N 3.28Å; N518-D520 VanDerWaalsContact O-N 3.13Å; N518-D520 PolarHBondContact OD1-N 2.9Å; N518-D520 VanDerWaalsContact OD1-N 3.1Å; N518-A521 HydrophobicContact CB-CB 4.12Å; N518-A521 WeakPolarHBondContact O-CB 3.41Å; N518-A521 PolarHBondContact O-N 3.46Å; N518-A521 VanDerWaalsContact O-N 3.15Å
519P59.2Low46.6Very low117 Ų117140.9 Ų140.976%0.7677%0.767SS**THydrogen-bonded Turntrans-64.4-16.8176.730-36.2000114.2
520D57.5Low47Very low144 Ų144143.3 Ų143.377%0.7776%0.76SS**THydrogen-bonded Turntrans-96.79.3179.2-58.6-39.9000113N518 E522N518-D520 PolarHBondContact O-N 3.28Å; N518-D520 VanDerWaalsContact O-N 3.13Å; N518-D520 PolarHBondContact OD1-N 2.9Å; N518-D520 VanDerWaalsContact OD1-N 3.1Å; D520-E522 PolarHBondContact O-N 3.25Å
521A51.6Low46.9Very low61 Ų61146 Ų14650%0.50477%0.766SS.*SBendtrans-81109.2170.500000110.1N518 E523N518-A521 HydrophobicContact CB-CB 4.12Å; N518-A521 WeakPolarHBondContact O-CB 3.41Å; N518-A521 PolarHBondContact O-N 3.46Å; N518-A521 VanDerWaalsContact O-N 3.15Å; A521-E523 PolarHBondContact O-N 3.46Å; A521-E523 VanDerWaalsContact O-N 3.13Å
522E56.5Low46.9Very low191 Ų191148.4 Ų148.489%0.89377%0.768SS**  trans-60.2119173.9-72.4-153.7147.100110.9D520 F524D520-E522 PolarHBondContact O-N 3.25Å; E522-F524 PolarHBondContact O-N 2.85Å; E522-F524 VanDerWaalsContact O-N 3.08Å
523E50.7Low46.6Very low137 Ų137147 Ų14764%0.6477%0.767SS**  trans-59.6110.8177.1-178.2-174.8-131.100109.7A521 R525A521-E523 PolarHBondContact O-N 3.46Å; A521-E523 VanDerWaalsContact O-N 3.13Å; E523-R525 VanDerWaalsContact C-N 3.32Å; E523-R525 HydrophobicContact CG-CG 4.26Å; E523-R525 PolarHBondContact O-N 3.46Å; E523-R525 IonicContact OE2-CZ 3.14Å; E523-R525 IonicContact OE2-NE 2.72Å; E523-R525 PolarHBondContact OE2-NE 3.07Å; E523-R525 IonicContact OE2-NH2 2.7Å; E523-R525 PolarHBondContact OE2-NH2 2.87Å
524F38.5Very low46.1Very low201 Ų201143.1 Ų143.188%0.88277%0.768SS**  trans-72.984.5-174.8-152.3-81.8000110.7E522 P526E522-F524 PolarHBondContact O-N 2.85Å; E522-F524 VanDerWaalsContact O-N 3.08Å; F524-P526 WeakPolarHBondContact O-CD 3.44Å
525R56.3Low45.9Very low194 Ų194146.8 Ų146.873%0.73277%0.773SS**  trans-75.1110.4-177.2-71.3179.8177-152.6-7.9111E523 M527E523-R525 VanDerWaalsContact C-N 3.32Å; E523-R525 HydrophobicContact CG-CG 4.26Å; E523-R525 PolarHBondContact O-N 3.46Å; E523-R525 IonicContact OE2-CZ 3.14Å; E523-R525 IonicContact OE2-NE 2.72Å; E523-R525 PolarHBondContact OE2-NE 3.07Å; E523-R525 IonicContact OE2-NH2 2.7Å; E523-R525 PolarHBondContact OE2-NH2 2.87Å; R525-M527 PolarHBondContact O-N 3.4Å
526P52.3Low45.5Very low114 Ų114149.3 Ų149.374%0.7478%0.776SS**  trans-64.1122.517027.7-33.5000109F524 H528F524-P526 WeakPolarHBondContact O-CD 3.44Å; P526-H528 PolarHBondContact O-N 3.43Å
527M46.1Very low45.5Very low179 Ų179150.2 Ų150.288%0.88278%0.782SS**  trans-60.2111.3175.5-79.9-79.8-79.400109.5R525 M529R525-M527 PolarHBondContact O-N 3.4Å; M527-M529 PolarHBondContact O-N 3.25Å
528H42.7Very low45.3Very low162 Ų162148 Ų14875%0.7578%0.778SS**  trans-69.890.4-177.7-172.982.5000110.3P526 Q530P526-H528 PolarHBondContact O-N 3.43Å; H528-Q530 PolarHBondContact O-N 3.22Å
529M39.2Very low44.4Very low186 Ų186150 Ų15092%0.91679%0.794SS**  trans-65.398173.9-89.7-166.1157.600110.1M527M527-M529 PolarHBondContact O-N 3.25Å
530Q40.7Very low43.2Very low157 Ų157152.3 Ų152.373%0.73480%0.799SS**  trans-67.9135.5168.9-67.5-173.1-25.400109.9H528 I532H528-Q530 PolarHBondContact O-N 3.22Å; Q530-I532 PolarHBondContact O-N 2.91Å; Q530-I532 VanDerWaalsContact O-N 3.16Å
531N34.8Very low42.4Very low168 Ų168152.1 Ų152.190%0.89880%0.797SS**  trans-54.6117.3174.9-99-59.7000111.1
532I35.8Very low41.6Very low159 Ų159158.3 Ų158.382%0.81582%0.816SS**  trans-111.8121.5160.1-65.6-177.1000107.7Q530Q530-I532 PolarHBondContact O-N 2.91Å; Q530-I532 VanDerWaalsContact O-N 3.16Å
533V35.4Very low40.7Very low127 Ų127155.4 Ų155.477%0.7780%0.802SS**  trans-61.1146.5-177.9174.30000111Q535V533-Q535 PolarHBondContact O-N 3.25Å
534A33.2Very low39.9Very low98 Ų98156.3 Ų156.381%0.8181%0.807SS**  trans-46.9128.7-174.200000114.7
535Q37Very low39.8Very low187 Ų187155.2 Ų155.287%0.87481%0.806SS**  trans-133140.2158.1-66.2-167.6800109.3V533V533-Q535 PolarHBondContact O-N 3.25Å
536Q39.2Very low38.7Very low184 Ų184153.5 Ų153.586%0.8681%0.811SS**PPolyproline II helixtrans-78.6146.9-179.2-66.4171.4-28.900111
537P46.6Very low37.7Very low119 Ų119158.7 Ų158.777%0.77382%0.816SS**PPolyproline II helixtrans-67.7130169.228.9-33.2000110.1
538P42.1Very low37Very low126 Ų126155.1 Ų155.182%0.81881%0.808SS**PPolyproline II helixtrans-75.5132.2-179.629.8-34000111.4
539T37.1Very low36.6Very low140 Ų140155.3 Ų155.386%0.85981%0.812SS**PPolyproline II helixtrans-75.7137.6167.443.70000110.5
540L34.7Very low36.6Very low164 Ų164152.2 Ų152.286%0.85980%0.803SS**  trans-132.689.8170-135.6177.4000110.3
541L39.4Very low36.2Very low141 Ų141151.3 Ų151.374%0.73881%0.811SS**  trans-86126.6171.1-172.3100.1000109Q543L541-Q543 HydrophobicContact CD2-CB 4.29Å
542Q35.4Very low36.3Very low191 Ų191147.9 Ų147.989%0.89381%0.806SS**  trans-128.5129.6154.8-172.3140.590.900109.8
543Q38.2Very low36.2Very low130 Ų130148.7 Ų148.761%0.60781%0.812SS**  trans-131.5159.8-168.8-163.5-165.279.200108.3L541L541-Q543 HydrophobicContact CD2-CB 4.29Å
544Q34.2Very low36.3Very low156 Ų156146.4 Ų146.473%0.72981%0.814SS**  trans70.497.2166.5-45.2-174.819.800117.8
545M34.8Very low36.4Very low178 Ų178147.4 Ų147.488%0.87782%0.815SS**  -151.3140.2116.7-78.7-152.6-74.700107.5
546L34.1Very low36.4Very low158 Ų158142.7 Ų142.783%0.82781%0.808SS**  cis-142.5168.4-5.2-152.772000109.8
547R31.4Very low36.3Very low222 Ų222142.1 Ų142.184%0.83880%0.803SS**  trans-81.6159.9-178.5-69173.3166167.1-6.4113.4
548S31.5Very low35.8Very low104 Ų104145.1 Ų145.173%0.72780%0.804SS**  trans103.5153.6133.578.30000121.2
549M33.6Very low35.7Very low167 Ų167144.2 Ų144.282%0.82380%0.799SS**  trans82.187.8163.1-53.6-160.8179.800119.6
550T38.6Very low35.4Very low120 Ų120145.4 Ų145.474%0.73680%0.799SS**  20.7131.2123.451.40000119.7
551P32.9Very low35.5Very low138 Ų138142.4 Ų142.490%0.89680%0.798SS**  trans-72.914016832.5-34.1000111.8
552A37.9Very low35.6Very low96 Ų96142.1 Ų142.179%0.79380%0.801SS**  trans-141.7148.817200000110.5
553N34Very low36.6Very low177 Ų177138.6 Ų138.695%0.94780%0.795SS**  trans-75.1150-171.2-62.2-43.2000113.6
554G36.2Very low37.1Very low79 Ų79137.9 Ų137.981%0.81480%0.802SS**  trans-175.1127.4165.700000112.5
555S35.7Very low37.5Very low119 Ų119137.7 Ų137.783%0.83281%0.806SS**  trans-135.9136.4-169.651.20000114.6
556A38Very low38.1Very low88 Ų88135.1 Ų135.173%0.72780%0.8SS**  trans-163.4133.7160.200000107.5
557F36Very low38.7Very low171 Ų171132.6 Ų132.675%0.7579%0.793SS**  61.8126.157-71.6-71.5000112.5
558F35.8Very low39.2Very low183 Ų183126.8 Ų126.880%0.80379%0.792SS**  cis-141.4170.516.3-79.8-83.2000113.6
559P39.6Very low40.1Very low107 Ų107126 Ų12670%0.69579%0.792SS**  trans-111.7-168.4-178.742.8-34.2000115.3
560L32.3Very low40.8Very low165 Ų165123.7 Ų123.786%0.86479%0.789SS**  trans94.6111.5166.5-69.9146000119.7
561A36.8Very low41Very low101 Ų101127.3 Ų127.384%0.83580%0.798SS**  trans-160.6148.6141.400000110.4
562V40.9Very low41.6Very low135 Ų135126.9 Ų126.982%0.81880%0.798SS**  trans-136.9144.4-178.2167.60000108.6
563P56.3Low41.6Very low116 Ų116126.4 Ų126.475%0.75380%0.803SS**  trans-92.4179.9-163.838.4-39.2000114.4
564P49.8Very low42Very low116 Ų116121.6 Ų121.675%0.75380%0.795SS**  trans-150134.8137.534-14.9000118.9
565N42.2Very low42.1Very low151 Ų151123.4 Ų123.481%0.80780%0.795SS**  77.1-175.7125.3-155.516000122.2
566V46.8Very low42Very low124 Ų124123.8 Ų123.875%0.75279%0.792SS**  trans91.3145.4169-89.70000119.9
567P47.2Very low41.8Very low106 Ų106127 Ų12769%0.68880%0.796SS**  -147.8-178.8-110.747.1-27.6000120
568A42.4Very low41.7Very low100 Ų100125.8 Ų125.883%0.82680%0.797SS**  trans57.7168146.900000120.2
569A49.8Very low41.5Very low88 Ų88123.1 Ų123.173%0.72779%0.791SS**  cis-158.8-161.84.200000109.1
570P48.7Very low41.1Very low117 Ų117126.4 Ų126.476%0.7680%0.797SS**  cis-133.1148.4-37.134.7-16.7000116.3
571Q41.7Very low41.3Very low197 Ų197123.5 Ų123.592%0.92180%0.797SS**  trans25127.1144.2-58.1-175.83.500124.7
572S45.4Very low41.1Very low129 Ų129122.9 Ų122.990%0.90280%0.8SS**  trans-158.1158.2136.169.90000109.6
573G38.8Very low40.9Very low86 Ų86120.7 Ų120.789%0.88780%0.796SS**  cis167.251.1-10.700000116.3
574G42.6Very low40Very low75 Ų75121.7 Ų121.777%0.77380%0.802SS**  trans-170.7161.5179.900000114
575S36.3Very low39.2Very low118 Ų118124.5 Ų124.583%0.82581%0.806SS**  trans-139.1142.4-157.6-99.90000117.5
576V33.7Very low38.7Very low126 Ų126121.1 Ų121.176%0.76480%0.799SS**  trans86.8134.2138.4169.60000121.2
577L34.7Very low37.8Very low156 Ų156124 Ų12482%0.81781%0.806SS**  trans87.5142.5163.4-80.7167.3000122.2
578L33Very low37Very low146 Ų146128.8 Ų128.876%0.76481%0.812SS**  trans-39.7158.1178.4-84.758.6000116
579N32.4Very low36.7Very low126 Ų126129.5 Ų129.567%0.67481%0.808SS**  cis-156.317627.3-1542.2000114
580Q31.4Very low35.9Very low176 Ų176131.6 Ų131.682%0.82281%0.812SS**  trans-13.1122.2167.9-68.3169.6-1.600119.3
581A37.3Very low35.3Very low105 Ų105131.7 Ų131.787%0.86881%0.813SS**  trans-167.9141.6139.700000113.5
582G32.6Very low35Very low87 Ų87125.4 Ų125.490%0.89780%0.801SS**  trans70.792.5139.600000121.1
583A36.8Very low34.7Very low89 Ų89125 Ų12574%0.73680%0.798SS**  trans-134.5134.3146.600000108.9Q585A583-Q585 PolarHBondContact O-N 3.45Å; A583-Q585 VanDerWaalsContact O-N 3.17Å
584P36.7Very low34.7Very low137 Ų137123.8 Ų123.889%0.8977%0.768SS**  trans-77.6105.4-171.729.8-33.9000111.8
585Q31.9Very low34.7Very low176 Ų176122.8 Ų122.882%0.82275%0.75SS**  trans-72132.6164.6-77.2-71.3-3.700110A583 M587A583-Q585 PolarHBondContact O-N 3.45Å; A583-Q585 VanDerWaalsContact O-N 3.17Å; Q585-M587 PolarHBondContact O-N 3.08Å; Q585-M587 VanDerWaalsContact O-N 3.15Å
586A33.2Very low35Very low80 Ų80119 Ų11966%0.66172%0.722SS**  trans-74.2102.7173.700000109.6Y588A586-Y588 PolarHBondContact O-N 3.06Å
587M27.9Very low35.4Very low184 Ų184118.2 Ų118.291%0.90671%0.709SS**  trans-69.9101.9174-79.1-170.4-10000110.4Q585Q585-M587 PolarHBondContact O-N 3.08Å; Q585-M587 VanDerWaalsContact O-N 3.15Å
588Y30.5Very low35.6Very low206 Ų206115.1 Ų115.181%0.80870%0.697SS**PPolyproline II helixtrans-66.4136.9154.9-76.3-95.8000108.7A586 T590A586-Y588 PolarHBondContact O-N 3.06Å; Y588-T590 PolarHBondContact O-N 3.06Å
589P34.4Very low35.8Very low116 Ų116116.8 Ų116.875%0.75369%0.694SS**PPolyproline II helixtrans-66.7128.7174.627.8-33.2000109.9
590T33.8Very low35.9Very low131 Ų131116.9 Ų116.980%0.80470%0.701SS**PPolyproline II helixtrans-56.4132.8169.6-47.80000109.3Y588 G592Y588-T590 PolarHBondContact O-N 3.06Å; T590-G592 PolarHBondContact O-N 3.36Å; T590-G592 VanDerWaalsContact O-N 3.1Å
591P37.3Very low36Very low120 Ų120110.2 Ų110.278%0.77968%0.68SS**PPolyproline II helixtrans-56.6119.3176.4-25.934.9000110.9
592G35.2Very low35.8Very low65 Ų65112.8 Ų112.867%0.6768%0.679SS**PPolyproline II helixtrans-61.7156.6166.600000110.1T590 F594T590-G592 PolarHBondContact O-N 3.36Å; T590-G592 VanDerWaalsContact O-N 3.1Å; G592-F594 VanDerWaalsContact C-N 3.33Å; G592-F594 PolarHBondContact O-N 3.42Å
593S38.5Very low36Very low119 Ų119113.8 Ų113.883%0.83267%0.67SS**  trans-66.688.6-179.155.80000111.5S595S593-S595 PolarHBondContact O-N 3.44Å
594F37.9Very low35.9Very low62 Ų62114 Ų11427%0.27266%0.664SS.*  trans-59130.8171.7173.1-90.5000109.7L35 F101 V104 V107 G592 V596L35-F594 HydrophobicContact CD1-CE1 3.55Å; L35-F594 HydrophobicContact CD1-CZ 3.62Å; F101-F594 HydrophobicContact CE2-CD2 4.15Å; F101-F594 HydrophobicContact CE2-CE2 4.02Å; F101-F594 HydrophobicContact CE2-CZ 4.48Å; F101-F594 HydrophobicContact CZ-CD2 4.29Å; F101-F594 HydrophobicContact CZ-CG 4.45Å; V104-F594 HydrophobicContact CG1-CD2 4.36Å; V104-F594 HydrophobicContact CG1-CE2 3.98Å; V107-F594 HydrophobicContact CG2-CE2 4.41Å; G592-F594 VanDerWaalsContact C-N 3.33Å; G592-F594 PolarHBondContact O-N 3.42Å; F594-V596 HydrophobicContact CE1-CG2 3.45Å; F594-V596 VanDerWaalsContact CE1-CG2 3.45Å; F594-V596 HydrophobicContact CZ-CG2 3.82Å
595S43.9Very low35.8Very low54 Ų54115.7 Ų115.738%0.37867%0.665SS.*EExtended strand (participates in β ladder)trans-129.6129.8176.757.80000111S593S593-S595 PolarHBondContact O-N 3.44Å
596V41.7Very low35.8Very low39 Ų39117 Ų11724%0.23666%0.663CS.*EExtended strand (participates in β ladder)trans-92.1114160.7-164.40000106.5Y38 F594 V598Y38-V596 HydrophobicContact CD1-CG1 4.41Å; Y38-V596 HydrophobicContact CD2-CB 4.39Å; Y38-V596 HydrophobicContact CD2-CG2 3.99Å; Y38-V596 HydrophobicContact CG-CB 4.45Å; Y38-V596 HydrophobicContact CG-CG1 4.21Å; Y38-V596 HydrophobicContact CG-CG2 4.24Å; F594-V596 HydrophobicContact CE1-CG2 3.45Å; F594-V596 VanDerWaalsContact CE1-CG2 3.45Å; F594-V596 HydrophobicContact CZ-CG2 3.82Å; V596-V598 HydrophobicContact CG1-CG2 3.78Å; V596-V598 PolarHBondContact O-N 3.49Å
597Q43.1Very low35.6Very low109 Ų109118.7 Ų118.751%0.50966%0.661SS.*  trans-94.591.4171.3-73.3-174.1-17.400109.1
598V38.8Very low35.9Very low90 Ų90116.6 Ų116.655%0.54566%0.658SS.*  trans-90.8117.6165.3-173.50000107.6Y38 V596 P600Y38-V598 HydrophobicContact CD1-CG2 3.95Å; Y38-V598 HydrophobicContact CE1-CG2 3.94Å; V596-V598 HydrophobicContact CG1-CG2 3.78Å; V596-V598 PolarHBondContact O-N 3.49Å; V598-P600 WeakPolarHBondContact O-CD 3.47Å
599Y35.9Very low36Very low181 Ų181114.5 Ų114.571%0.7166%0.656SS**  trans-73.7122.3174.3-79.4-93000109.7G601Y599-G601 PolarHBondContact O-N 2.86Å
600P35.3Very low35.9Very low128 Ų128113.8 Ų113.883%0.83165%0.654SS**  trans-81.588.6-168.931.4-35.5000112.8V598V598-P600 WeakPolarHBondContact O-CD 3.47Å
601G32.7Very low35.7Very low36 Ų36113.8 Ų113.837%0.37166%0.659SS.*PPolyproline II helixtrans-72.5161.9144.600000110.7Y599Y599-G601 PolarHBondContact O-N 2.86Å
602N33Very low35.6Very low160 Ų160116.8 Ų116.886%0.85666%0.663SS**PPolyproline II helixtrans-60137.4171.8-81.2-16.9000109.9
603P37.3Very low35.4Very low107 Ų107117.6 Ų117.670%0.69566%0.663SS**PPolyproline II helixtrans-63.4133.5177.226.7-34.1000110.3L605P603-L605 PolarHBondContact O-N 3.04Å
604P36.1Very low35.2Very low94 Ų94118.1 Ų118.161%0.6166%0.664SS**PPolyproline II helixtrans-65.8120.917426.7-33000109.6Y606P604-Y606 VanDerWaalsContact C-N 3.32Å; P604-Y606 HydrophobicContact CB-CD2 4.48Å; P604-Y606 HydrophobicContact CB-CE2 4.33Å; P604-Y606 HydrophobicContact CG-CD2 4.23Å; P604-Y606 HydrophobicContact CG-CE2 3.79Å; P604-Y606 PolarHBondContact O-N 3.5Å
605L33.3Very low35Very low173 Ų173121.2 Ų121.291%0.90669%0.687SS**  trans-7290.3168.5-70.9174.5000108.5P603 N607P603-L605 PolarHBondContact O-N 3.04Å; L605-N607 PolarHBondContact O-N 3.25Å
606Y32.1Very low34.4Very low202 Ų202122.8 Ų122.879%0.79270%0.704SS**  trans-60102.7172.4-83.1-84.5000110.2P604 V608P604-Y606 VanDerWaalsContact C-N 3.32Å; P604-Y606 HydrophobicContact CB-CD2 4.48Å; P604-Y606 HydrophobicContact CB-CE2 4.33Å; P604-Y606 HydrophobicContact CG-CD2 4.23Å; P604-Y606 HydrophobicContact CG-CE2 3.79Å; P604-Y606 PolarHBondContact O-N 3.5Å; Y606-V608 PolarHBondContact O-N 3.2Å
607N29.1Very low33.9Very low116 Ų116127.6 Ų127.662%0.6273%0.727SS**  trans-74.2114.6169.4-174.820.3000108.8L605 Q609L605-N607 PolarHBondContact O-N 3.25Å; N607-Q609 PolarHBondContact O-N 3.05Å
608V33.2Very low33.4Very low140 Ų140130 Ų13085%0.84874%0.742SS**SBendtrans-8048-173.1-162.90000111.3Y606Y606-V608 PolarHBondContact O-N 3.2Å
609Q33.6Very low33.1Very low163 Ų163133.5 Ų133.576%0.76275%0.753SS**  trans-145.155.1-174.5-68.7-164-4000112.9N607N607-Q609 PolarHBondContact O-N 3.05Å
610S32.1Very low33Very low100 Ų100129.9 Ų129.970%0.69975%0.754SS**  trans-157.156169.348.30000113.4Q612S610-Q612 PolarHBondContact O-N 3.35Å
611S30.2Very low32.8Very low131 Ų131129 Ų12992%0.91675%0.751SS**  trans-75.571.9165.861.50000110.9
612Q34Very low32.9Very low183 Ų183132 Ų13286%0.85577%0.766SS**  trans-112.2132.7167.3-76.9-174-2400109.5S610S610-Q612 PolarHBondContact O-N 3.35Å
613A32.6Very low32.9Very low83 Ų83132.1 Ų132.169%0.68677%0.767SS**  trans-71.3153.4-179.200000111.1V615A613-V615 PolarHBondContact O-N 3.03Å
614P34.2Very low32.9Very low130 Ų130135.7 Ų135.784%0.84478%0.779SS**  trans-64.3107175.326.6-34.1000110.4A616P614-A616 PolarHBondContact O-N 2.93Å
615V33.1Very low33Very low126 Ų126142.3 Ų142.376%0.76479%0.792SS**  trans-71.9106.4169.7178.40000107.8A613 I617A613-V615 PolarHBondContact O-N 3.03Å; V615-I617 HydrophobicContact CG1-CG1 4.24Å; V615-I617 PolarHBondContact O-N 3.08Å
616A30.7Very low33.1Very low88 Ų88140.2 Ų140.273%0.72779%0.788SS**  trans-7193.6174.200000109.9P614 L618P614-A616 PolarHBondContact O-N 2.93Å; A616-L618 VanDerWaalsContact C-N 3.27Å; A616-L618 PolarHBondContact O-N 2.56Å
617I32Very low33.3Very low139 Ų139136.2 Ų136.271%0.71379%0.79SS**  trans-72.385.1172.9-56177.2000108.6V615 Q619V615-I617 HydrophobicContact CG1-CG1 4.24Å; V615-I617 PolarHBondContact O-N 3.08Å; I617-Q619 HydrophobicContact CG2-CG 4.2Å; I617-Q619 PolarHBondContact O-N 3.13Å
618L33Very low33.8Very low160 Ų160142 Ų14284%0.83880%0.803SS**  trans-67.996.5164.4-80.7167.8000108.7A616 S620A616-L618 VanDerWaalsContact C-N 3.27Å; A616-L618 PolarHBondContact O-N 2.56Å; L618-S620 PolarHBondContact O-N 3.44Å
619Q31.5Very low34.1Very low163 Ų163145.1 Ų145.176%0.76281%0.805SS**  trans-65.497.2170.9-71.9-172.8-16.300109.9I617 S621I617-Q619 HydrophobicContact CG2-CG 4.2Å; I617-Q619 PolarHBondContact O-N 3.13Å; Q619-S621 VanDerWaalsContact C-N 3.3Å; Q619-S621 PolarHBondContact O-N 3.18Å
620S32.9Very low34.4Very low106 Ų106142.9 Ų142.974%0.74181%0.808SS**  trans-75.68117349.10000110.6L618 S622L618-S620 PolarHBondContact O-N 3.44Å; S620-S622 PolarHBondContact O-N 3.32Å
621S31.5Very low34.7Very low110 Ų110146.1 Ų146.177%0.76982%0.817SS**  trans-6863.7-178.2-62.20000113.9Q619Q619-S621 VanDerWaalsContact C-N 3.3Å; Q619-S621 PolarHBondContact O-N 3.18Å
622S34.9Very low35.1Very low97 Ų97143.7 Ų143.768%0.67881%0.813SS**  trans-133.154.6-166.4-590000113.1S620S620-S622 PolarHBondContact O-N 3.32Å
623N34.5Very low35.2Very low164 Ų164139.2 Ų139.288%0.87782%0.816SS**  trans-152.349.3175.7-104.4-51.4000115.1
624L36.3Very low35.4Very low181 Ų181139 Ų13995%0.94882%0.822SS**  trans-90106.9166.7-74.9177.8000111.2
625R37Very low35.5Very low234 Ų234141.8 Ų141.888%0.88382%0.824SS**  trans-83.1124.8-176.2-168-177.7-168.8-177.46111S627R625-S627 PolarHBondContact O-N 3.19Å
626P35.9Very low35.6Very low128 Ų128145.3 Ų145.383%0.83183%0.832SS**  trans-72.4112.7-175.827.4-34.1000112
627S37.5Very low36.2Very low119 Ų119145.7 Ų145.783%0.83284%0.835SS**PPolyproline II helixtrans-88.1140.6167.4-167.20000110.5R625R625-S627 PolarHBondContact O-N 3.19Å
628R39Very low36.4Very low238 Ų238146.7 Ų146.790%0.89884%0.841SS**PPolyproline II helixtrans-75.8134.3-170-72.8178.9169.4-179.3-4.8112.6
629K38.7Very low37.1Very low204 Ų204145.1 Ų145.189%0.88784%0.84SS**PPolyproline II helixtrans-58.4137.2162.3-68.8177.5178.7173.10109.9
630S41.5Very low37.3Very low117 Ų117143.9 Ų143.982%0.81884%0.843SS**  trans-118.7127.8162.5-177.70000107.9
631N38Very low37.5Very low168 Ų168142 Ų14290%0.89884%0.84SS**  trans-71.6144.3179.3-88.9-11.5000111.7
632G38.3Very low37.9Very low79 Ų79141.5 Ų141.581%0.81484%0.843SS**  trans177.384.2175.700000110.5
633G35.9Very low38.2Very low89 Ų89141.4 Ų141.492%0.91885%0.848SS**  trans-80.1147.4-177.400000113.3
634G36.2Very low38.7Very low80 Ų80140 Ų14083%0.82585%0.848SS**  trans-164.9103.9173.500000110.5
635Q36.8Very low38.9Very low187 Ų187135 Ų13587%0.87484%0.84SS**  trans-78.4142.7176.3-59.7171.8-1.700110.1
636H36.3Very low39.1Very low201 Ų201131.1 Ų131.193%0.93184%0.837SS**  trans-154.1136.4145.6-100.4-69.6000110.1
637A41.9Very low39.3Very low96 Ų96130.7 Ų130.779%0.79384%0.836SS**  trans-102.7163.8-17400000112.9
638L36.9Very low39.3Very low160 Ų160128.3 Ų128.384%0.83883%0.831SS**  trans-69.6158.3173.8-57.2171.3000112.2
639P46.8Very low39.3Very low126 Ų126122 Ų12282%0.81883%0.83SS**  trans-109.5131.1147.934-25.8000111.4
640V36Very low39.3Very low138 Ų138116.5 Ų116.584%0.83682%0.822SS**  trans-110.1136.9167173.80000108.7
641G37.2Very low39.2Very low65 Ų65119.5 Ų119.567%0.6782%0.823SS**  trans-135.4125.4162.600000108.4
642A39.9Very low39.1Very low101 Ų101116.5 Ų116.584%0.83581%0.813SS**  79.5130.37200000111.9
643A41.3Very low38.9Very low95 Ų95120.9 Ų120.979%0.78582%0.817SS**  cis-155.9164.8-5.900000110.5
644P44.4Very low38.6Very low135 Ų135125.2 Ų125.288%0.87782%0.816SS**  trans-107.3167.5-170.240.2-35.1000115.8
645G42.2Very low38.7Very low75 Ų75128 Ų12877%0.77382%0.817SS**  trans146.6166.7157.400000114.6
646N40.9Very low38.4Very low153 Ų153125.5 Ų125.582%0.81881%0.814SS**  cis-164.5152.8-30.5-168.99.7000108.5
647S40Very low38.3Very low118 Ų118125.1 Ų125.183%0.82581%0.813SS**  trans62.7149.317774.60000117.1
648G37.3Very low37.7Very low70 Ų70127 Ų12772%0.72282%0.815SS**  cis173.2-179.2-8.400000113.7
649A39.3Very low37.6Very low105 Ų105124.9 Ų124.987%0.86881%0.811SS**  trans72.3115.7165.100000121.1
650A38.9Very low37Very low88 Ų88124.5 Ų124.573%0.72781%0.806SS**  88.6101.8125.600000122.9
651Q39.2Very low36.6Very low180 Ų180121.2 Ų121.284%0.84180%0.8SS**  trans78.8154133.5-59.2-59.7-36.500119.6
652P35.6Very low36.3Very low106 Ų106127.3 Ų127.369%0.68881%0.808SS**  trans-112.6159.7-155.841.3-34.4000115.4
653L34.1Very low35.8Very low170 Ų170128.7 Ų128.789%0.8981%0.806SS**  trans-152.3162.5148.5-148.265.6000111.6
654M30.4Very low35.3Very low181 Ų181133.3 Ų133.389%0.89281%0.812SS**  trans-67.7139.4-178.5-63.3172.2170.500113.3
655T36.6Very low34.5Very low139 Ų139131.5 Ų131.585%0.85380%0.802SS**  trans-144.5133147.6-13.30000111.1
656T31.6Very low34.1Very low134 Ų134133.9 Ų133.982%0.82280%0.804SS**  trans-79.1133.7-177.7490000112.5
657Q33.5Very low33.4Very low193 Ų193137.2 Ų137.290%0.90281%0.807SS**  trans-137.1123.6155.2-67.9-167.60.500110.2
658T30.6Very low32.7Very low136 Ų136138.8 Ų138.883%0.83481%0.805SS**  trans-83.9166.3162.249.60000109.2
659P33.7Very low32.2Very low115 Ų115140.4 Ų140.475%0.74780%0.801SS**  -152.216999.542-25.8000116.4
660V33.4Very low31.5Very low118 Ų118142 Ų14272%0.71579%0.791SS**  trans54.496.9164.4-149.40000118.7F662V660-F662 HydrophobicContact CG1-CD2 4.09Å; V660-F662 HydrophobicContact CG1-CE2 3.85Å
661G28.3Very low30.9Very low69 Ų69148.2 Ų148.271%0.71180%0.797SS**  trans-102.6134.5154.700000111.1
662F31.3Very low30.3Very low193 Ų193145 Ų14585%0.84679%0.789SS**  trans-94.592.6172.6-86.4-84.1000111V660V660-F662 HydrophobicContact CG1-CD2 4.09Å; V660-F662 HydrophobicContact CG1-CE2 3.85Å
663T29.7Very low30.2Very low130 Ų130143 Ų14380%0.79879%0.788SS**  trans-91.4105.9172.454.90000110.5
664Q30.5Very low30.2Very low191 Ų191141 Ų14189%0.89379%0.785SS**PPolyproline II helixtrans-85.6121.1166.1-70-161.837.200110.3
665S27.2Very low30.3Very low98 Ų98140 Ų14069%0.68578%0.782SS**PPolyproline II helixtrans-75.4135.3177.8-47.50000111.4Y667S665-Y667 PolarHBondContact O-N 3.11Å
666P33.3Very low30.3Very low125 Ų125139.2 Ų139.281%0.81278%0.779SS**PPolyproline II helixtrans-67.9129.2170.528.1-33.2000110.5L668P666-L668 PolarHBondContact O-N 3.32Å
667Y27.8Very low30.3Very low222 Ų222137.9 Ų137.987%0.87178%0.782SS**  trans-74.6114.6176-86.2-92.5000111S665 V669S665-Y667 PolarHBondContact O-N 3.11Å; Y667-V669 PolarHBondContact O-N 3.14Å
668L23.8Very low30.3Very low151 Ų151132.7 Ų132.779%0.79178%0.779SS**  trans-85.7100175.5-159.4168.6000109.8P666 Q670P666-L668 PolarHBondContact O-N 3.32Å; L668-Q670 HydrophobicContact CD2-CB 3.94Å; L668-Q670 PolarHBondContact O-N 3.03Å
669V27Very low30.5Very low104 Ų104131.1 Ų131.163%0.6378%0.781SS**  trans-95.791.4179.3-175.70000110.3Y667 Y671Y667-V669 PolarHBondContact O-N 3.14Å; V669-Y671 HydrophobicContact CG1-CD2 3.73Å; V669-Y671 HydrophobicContact CG1-CE2 3.44Å; V669-Y671 VanDerWaalsContact CG1-CE2 3.44Å; V669-Y671 PolarHBondContact O-N 2.94Å
670Q24.1Very low30.4Very low140 Ų140134.5 Ų134.565%0.65479%0.786SS**  trans-86.8102.9-180-179.7-179.4-24.400111.7L668 T672L668-Q670 HydrophobicContact CD2-CB 3.94Å; L668-Q670 PolarHBondContact O-N 3.03Å; Q670-T672 HydrophobicContact CG-CG2 3.93Å; Q670-T672 PolarHBondContact NE2-OG1 2.92Å
671Y26.9Very low30.4Very low218 Ų218134.2 Ų134.286%0.85579%0.79SS**  trans-96.482.2169.4-81-69000112V669V669-Y671 HydrophobicContact CG1-CD2 3.73Å; V669-Y671 HydrophobicContact CG1-CE2 3.44Å; V669-Y671 VanDerWaalsContact CG1-CE2 3.44Å; V669-Y671 PolarHBondContact O-N 2.94Å
672T27.3Very low30.6Very low112 Ų112136.1 Ų136.169%0.68779%0.792SS**  trans-96.595.3168.747.30000110.7Q670Q670-T672 HydrophobicContact CG-CG2 3.93Å; Q670-T672 PolarHBondContact NE2-OG1 2.92Å
673G33.6Very low30.8Very low64 Ų64135.9 Ų135.966%0.6680%0.796SS**  trans-107.1128.6171.600000111.4
674P33.6Very low30.7Very low127 Ų127133.5 Ų133.583%0.82580%0.797SS**  trans-81.5137-176.531.7-34.1000112.5
675I33.2Very low31Very low162 Ų162129.8 Ų129.883%0.83179%0.793SS**  trans-96.3115.3168.2-58.6176.2000108.2
676P36Very low31.4Very low122 Ų122133.3 Ų133.379%0.79280%0.804SS**  trans-74.8135.8171.130.8-32.8000110.2
677A32Very low31.7Very low106 Ų106132.5 Ų132.588%0.87680%0.798SS**  trans-94.6146.8-178.800000112.5
678G32Very low32Very low83 Ų83131.7 Ų131.786%0.85680%0.8SS**  trans111.488.6155.100000117.4
679A35Very low32.2Very low104 Ų104132.8 Ų132.886%0.8680%0.798SS**  trans-149.3135.5144.200000108.4
680Q33Very low32.6Very low185 Ų185136.6 Ų136.686%0.86481%0.814SS**  trans-99.4152.5-175.9-64172.3-71.700111.4
681S32.2Very low32.9Very low113 Ų113133 Ų13379%0.7981%0.814SS**  trans56123.6163.658.20000117
682S34.1Very low33Very low108 Ų108129.6 Ų129.676%0.75581%0.806SS**  -176.116660.146.60000112.7
683M34.1Very low33.1Very low188 Ų188128.8 Ų128.893%0.92681%0.811SS**  trans33.992.1156.1-65-172.917600120
684G28.7Very low32.9Very low81 Ų81135.6 Ų135.684%0.83582%0.817SS**  50.1102.8123.600000121
685S37.2Very low32.8Very low113 Ų113135.7 Ų135.779%0.7982%0.815SS**  trans-161.2140.3139.141.10000110.8
686N33.6Very low32.6Very low172 Ų172135.4 Ų135.492%0.9281%0.814SS**  trans-90.3129.5174.1-84.2-8.8000110.4
687P39.5Very low32.3Very low107 Ų107137.1 Ų137.170%0.69581%0.811SS**  trans-104.8114.4166.6-0.122.2000113
688F34.3Very low32.5Very low206 Ų206136.7 Ų136.790%0.90480%0.8SS**  trans70.4118.4147.9-62.4-74.3000123.2
689F29.6Very low32.7Very low173 Ų173140.7 Ų140.776%0.75980%0.796SS**  trans-72148.8155.8-88.3-117.5000112
690L34.3Very low32.5Very low185 Ų185145.4 Ų145.497%0.96979%0.793SS**  trans-160.5112.9149.6-110.2158.9000108.7
691G31.9Very low32.5Very low63 Ų63143.2 Ų143.265%0.64979%0.786SS**  cis-161.8159.6-6.600000112.6A693G691-A693 PolarHBondContact O-N 2.84Å
692Q29Very low32.6Very low147 Ų147145 Ų14569%0.68779%0.786SS**  trans-78.1103.2174.3-73.8-171.4-15.400110.8R694Q692-R694 VanDerWaalsContact C-N 3.35Å; Q692-R694 PolarHBondContact O-N 3.22Å
693A28.8Very low32.9Very low96 Ų96145.5 Ų145.579%0.79379%0.786SS**  trans-75.486.8163.600000109.5G691 V695G691-A693 PolarHBondContact O-N 2.84Å; A693-V695 PolarHBondContact O-N 2.97Å
694R29.5Very low33.1Very low206 Ų206145.3 Ų145.378%0.77778%0.783SS**  trans-66.6105.9169.5-74.5-171.8177.9-161-1.4109.2Q692 L696Q692-R694 VanDerWaalsContact C-N 3.35Å; Q692-R694 PolarHBondContact O-N 3.22Å; R694-L696 PolarHBondContact O-N 2.78Å
695V30.3Very low33.4Very low130 Ų130147.9 Ų147.979%0.78879%0.785SS**  trans-66.7100.8166-179.80000107.8A693 H697A693-V695 PolarHBondContact O-N 2.97Å; V695-H697 PolarHBondContact O-N 3.03Å
696L29.5Very low33.2Very low155 Ų155146.2 Ų146.281%0.81279%0.786SS**  trans-72.7110.7170.4-76.3168.2000108.2R694R694-L696 PolarHBondContact O-N 2.78Å
697H30.7Very low33.5Very low159 Ų159143.2 Ų143.274%0.73679%0.785SS**  trans-55.5137.6170.7-88.5-105.3000110.6V695 Q699V695-H697 PolarHBondContact O-N 3.03Å; H697-Q699 PolarHBondContact O-N 2.79Å; H697-Q699 VanDerWaalsContact O-N 3.17Å
698P34.9Very low33.4Very low97 Ų97145.4 Ų145.463%0.6379%0.791SS**  trans-61.7117.5157.327.7-31.6000108.2Y700P698-Y700 HydrophobicContact CG-CE2 4.22Å; P698-Y700 PolarHBondContact O-N 2.91Å
699Q35.8Very low33.2Very low166 Ų166141.6 Ų141.678%0.77679%0.788SS**  trans-68.296.6173.4-82.7-91.6-27.400109.2H697 I701H697-Q699 PolarHBondContact O-N 2.79Å; H697-Q699 VanDerWaalsContact O-N 3.17Å; Q699-I701 VanDerWaalsContact C-N 3.26Å; Q699-I701 HydrophobicContact CB-CG1 4.41Å; Q699-I701 PolarHBondContact O-N 3.49Å
700Y31.7Very low33.3Very low204 Ų204136.3 Ų136.380%0.878%0.783SS**  trans-71.786.4164-81.9-85.6000109.1P698 L702P698-Y700 HydrophobicContact CG-CE2 4.22Å; P698-Y700 PolarHBondContact O-N 2.91Å; Y700-L702 PolarHBondContact O-N 3.12Å
701I32.3Very low33.6Very low139 Ų139134.2 Ų134.271%0.71378%0.778SS**  trans-70.5109.2169.8-61.1175.7000107.5Q699 P703Q699-I701 VanDerWaalsContact C-N 3.26Å; Q699-I701 HydrophobicContact CB-CG1 4.41Å; Q699-I701 PolarHBondContact O-N 3.49Å; I701-P703 WeakPolarHBondContact O-CD 3.45Å
702L36Very low33.5Very low150 Ų150139.9 Ų139.979%0.78579%0.789SS**PPolyproline II helixtrans-65.5128.8164.7-84.676.8000108.8Y700Y700-L702 PolarHBondContact O-N 3.12Å
703P38.9Very low33.8Very low118 Ų118138.7 Ų138.777%0.76680%0.795SS**PPolyproline II helixtrans-78.6118.9163.431.1-29.8000109.4I701I701-P703 WeakPolarHBondContact O-CD 3.45Å
704E39.5Very low33.8Very low185 Ų185142.7 Ų142.786%0.86480%0.797SS**PPolyproline II helixtrans-66139.4167.8-85.8-159.1138.600111G706E704-G706 PolarHBondContact O-N 3.28Å; E704-G706 VanDerWaalsContact O-N 3.12Å
705P33.5Very low33.9Very low134 Ų134137.9 Ų137.987%0.8780%0.795SS**SBendtrans-83.186.4-179.133.3-35000111.9
706G34.7Very low33.8Very low78 Ų78137.5 Ų137.580%0.80479%0.793SS**  trans162.465.1166.700000119.9E704E704-G706 PolarHBondContact O-N 3.28Å; E704-G706 VanDerWaalsContact O-N 3.12Å
707A39Very low33.8Very low109 Ų109140.7 Ų140.790%0.90180%0.795SS**  trans-144.7153.815900000111
708N37.7Very low33.9Very low153 Ų153137.4 Ų137.482%0.81880%0.795SS**  trans-116.9142.1-165.3-165.1-0.4000113
709C29.7Very low33.5Very low126 Ų126140.6 Ų140.685%0.85181%0.806SS**  trans64.7156.7166.589.30000119.7
710G31.2Very low33.4Very low63 Ų63138.5 Ų138.565%0.64981%0.807SS**  trans120.878152.200000118.9
711T40.2Very low33.6Very low141 Ų141137.6 Ų137.687%0.86581%0.81SS**  trans39.1119.8146.1480000121.2
712M30.4Very low33.4Very low181 Ų181141.3 Ų141.389%0.89282%0.822SS**  trans-63160.1164.1-66.5-174.4175.100113.5
713P35.2Very low33.2Very low123 Ų123141.7 Ų141.780%0.79982%0.824SS**  -128.4163.3113.937.9-33.1000113.8
714Q28.7Very low32.7Very low180 Ų180145.3 Ų145.384%0.84183%0.83SS**  trans-72148.7175.7-63.4177.5-8.900112.3
715S32.6Very low32.4Very low104 Ų104142.5 Ų142.573%0.72783%0.825SS**  trans-134.3118.7159.6510000110.7
716V27.8Very low32.5Very low123 Ų123139 Ų13975%0.74581%0.813SS**  trans-87.4126.7179.1175.50000109.2
717Y30.2Very low32.4Very low222 Ų222140.5 Ų140.587%0.87181%0.809SS**  trans-132.3143.7163.4-82.1-75.6000111.6
718A32.1Very low32.1Very low89 Ų89146.5 Ų146.574%0.73681%0.81SS**  trans-111158.3-160.200000113.5
719L26.8Very low32Very low164 Ų164142.8 Ų142.886%0.85981%0.808SS**PPolyproline II helixtrans-64132.3171.5-68.8162.8000111.7
720P34.2Very low32.3Very low122 Ų122143.8 Ų143.879%0.79281%0.811SS**PPolyproline II helixtrans-68.7142.3152.9-12.529.2000109.8
721Q35.9Very low32.3Very low185 Ų185146.6 Ų146.686%0.86482%0.818SS**PPolyproline II helixtrans-84.5151.3-178.6-67.3-175.1-20.700112.7L723Q721-L723 PolarHBondContact O-N 2.83Å
722F27.2Very low32.6Very low218 Ų218146.6 Ų146.696%0.95682%0.818SS**PPolyproline II helixtrans-62.4128.8165.6-74.7-92.5000110.3
723L31.4Very low32.9Very low158 Ų158143.8 Ų143.883%0.82781%0.813SS**  trans-111116.4175.7-138.5165.7000109.5Q721 V725Q721-L723 PolarHBondContact O-N 2.83Å; L723-V725 HydrophobicContact CD2-CG2 4.2Å
724H28.4Very low32.8Very low194 Ų194141.3 Ų141.390%0.89881%0.809SS**  trans-85.6120.3-171.7-148.587.3000110.1
725V33.4Very low33.1Very low125 Ų125140.7 Ų140.776%0.75881%0.808SS**  trans-138.1124.9-179.9-174.90000110.7L723L723-V725 HydrophobicContact CD2-CG2 4.2Å
726G35.2Very low33.1Very low61 Ų61143.7 Ų143.763%0.62981%0.811SS**  trans-88.3172.4174.400000113.6
727P32.9Very low33.3Very low110 Ų110145.9 Ų145.971%0.71481%0.813SS**  trans-89.1165.3-166.834.9-36.9000115.7
728Y33.8Very low33.5Very low234 Ų234141 Ų14192%0.91881%0.806SS**  trans78.8126.9170.3-58.3-76.6000118.8
729G34.1Very low33.7Very low76 Ų76144 Ų14478%0.78481%0.808SS**  trans14576169.700000114.5P731G729-P731 WeakPolarHBondContact O-CD 3.32Å
730T36Very low34.3Very low147 Ų147141.8 Ų141.890%0.90280%0.803SS**  trans-84.3130.6174.747.70000112.9
731P32.6Very low34.3Very low122 Ų122139.1 Ų139.179%0.79280%0.799SS**  trans-116142.9158.436.3-26.9000113G729G729-P731 WeakPolarHBondContact O-CD 3.32Å
732T45.2Very low34.5Very low141 Ų141135.5 Ų135.587%0.86578%0.783SS**  trans-74.6145.4179.5-43.30000112.4
733P36.6Very low34.9Very low122 Ų122128.9 Ų128.979%0.79276%0.755SS**  trans-91.8141.917934.4-34.6000114.9
734G33Very low35.2Very low70 Ų70127.7 Ų127.772%0.72275%0.749SS**  trans112.7148.1145.400000119.2
735M35.6Very low36.1Very low168 Ų168123.1 Ų123.183%0.82874%0.737SS**  trans71102.5175-47.1-55.9-175.200115.6
736Q32.7Very low36.2Very low166 Ų166122.3 Ų122.378%0.77674%0.737SS**  59.4123.481.2-63.7-174.33.800112.5
737Q32.5Very low36.6Very low169 Ų169127.6 Ų127.679%0.7975%0.745SS**  cis-157157.643.5-68.1179.93.200114.8
738V34Very low37.5Very low120 Ų120127.7 Ų127.773%0.72775%0.745SS**  trans44.9100.2142-179.10000119.5
739I36.2Very low38.6Very low152 Ų152121.8 Ų121.878%0.77974%0.736SS**  59.1128.279.5-63.5176.3000115
740P39.4Very low39.5Very low117 Ų117124.1 Ų124.176%0.7674%0.737SS**  cis-146175.5-22.441-21.3000117.5
741G34.6Very low39.7Very low67 Ų67120 Ų12069%0.69172%0.723SS**  trans106154.7143.700000118.7
742M39.3Very low40.1Very low109 Ų109125.2 Ų125.254%0.53773%0.729SS.*  cis-171.5178.1-13.3-117.8163.473.700108.5T777 G778 T779M742-T777 WeakPolarHBondContact CB-O 3.47Å; M742-T777 WeakPolarHBondContact CG-O 3.25Å; M742-G778 CarbonylContact C-O 2.96Å; M742-G778 VanDerWaalsContact CA-O 3.24Å; M742-G778 WeakPolarHBondContact CA-O 3.35Å; M742-G778 WeakPolarHBondContact CB-O 3.34Å; M742-G778 PolarHBondContact N-O 3.19Å; M742-T779 VanDerWaalsContact O-CA 3.25Å; M742-T779 WeakPolarHBondContact O-CA 3.24Å
743Q36.7Very low39.8Very low79 Ų79122.1 Ų122.137%0.36972%0.718SS.*  trans44.3151.1-177.1-101.616525.800120.5T777 G778 T779Q743-T777 VanDerWaalsContact CG-C 3.41Å; Q743-T777 PolarHBondContact N-O 3.11Å; Q743-T777 PolarHBondContact NE2-OG1 3.25Å; Q743-G778 VanDerWaalsContact CB-N 3.28Å; Q743-T779 HydrophobicContact CB-CG2 3.86Å; Q743-T779 PolarHBondContact OE1-OG1 3.15Å
744N36.3Very low40Very low132 Ų132123.3 Ų123.371%0.70672%0.723SS**  cis91.8160.74.3-124.620.5000118
745P48.1Very low40.5Very low99 Ų99124.5 Ų124.564%0.64373%0.726SS**  -138.9-170.5-102.546.2-28.2000116.7
746S36.7Very low40.7Very low108 Ų108120.1 Ų120.176%0.75572%0.723SS**  trans-171.8169.5171.9-79.60000110.9
747H43.1Very low41Very low171 Ų171115.8 Ų115.879%0.79272%0.724SS**  cis-163.4165.9-39.1-100.1-46.1000109
748P52Low41.5Very low112 Ų112114.9 Ų114.973%0.72773%0.729SS**  trans-119-103.9-141.224.61000120.3
749P55.3Low41.7Very low110 Ų110117.3 Ų117.371%0.71473%0.733SS**  -137.5159.2-126.542.9-23.8000119.6
750P53.1Low42.3Very low126 Ų126114.6 Ų114.682%0.81873%0.725SS**  trans-126.9170.3141.937.1-26000112.1
751G40.3Very low42.5Very low59 Ų59115.3 Ų115.361%0.60872%0.722SS**  cis165.7176.8-6.100000112.4
752Y41.8Very low42.7Very low232 Ų232117.1 Ų117.191%0.9172%0.716SS**  trans69.6143.1171.3-54.4-85.8000119.1
753A38.8Very low42.7Very low77 Ų77119.5 Ų119.564%0.63673%0.726SS**  cis-171152.7-20.800000112.5
754V40.9Very low42.8Very low147 Ų147123 Ų12389%0.89175%0.747SS**  trans64.3142.8147.7163.50000118.5
755A42.5Very low43.6Very low95 Ų95121.7 Ų121.779%0.78575%0.746SS**  cis-169.5168-24.400000107.1
756G40.5Very low43.4Very low75 Ų75121.6 Ų121.677%0.77375%0.753SS**  cis163.8162.7-6.300000111.7
757G39.1Very low43.5Very low76 Ų76124 Ų12478%0.78476%0.758SS**  trans84.3152.5172.100000116.4
758V42.3Very low43.4Very low149 Ų149120 Ų12090%0.90375%0.754SS**  cis-142.8151.6-4.4-177.20000110.2
759E38.6Very low42.9Very low172 Ų172118 Ų11880%0.80475%0.753SS**  trans-76.2-166.4177.3-109.9-170.3159.300113.5
760P48.7Very low42.2Very low95 Ų95119.9 Ų119.962%0.61776%0.757SS**  cis-141.2175.78.642.8-24.4000118.7
761N43Very low41.4Very low131 Ų131119 Ų11970%0.70176%0.755SS**  trans67.9151.6139.9-80.9-22.7000122
762N39.2Very low41.2Very low106 Ų106120 Ų12057%0.56776%0.757SS**  cis-157.9167.6-4.5-134-33.2000114.6
763Q40.4Very low40.8Very low159 Ų159115.6 Ų115.674%0.74375%0.754SS**  trans55.4106.9152.1-71.6148.622.500119.7
764N38.4Very low40.6Very low152 Ų152115.2 Ų115.281%0.81375%0.751SS**  65.6151.252.7-145.527.7000113.6
765P51.9Low40.1Very low105 Ų105115.1 Ų115.168%0.68275%0.751SS**  cis-139.4-175.1-0.634.5-11.2000118.4
766A44Very low39.7Very low96 Ų96113.5 Ų113.579%0.79374%0.743SS**  trans80151.9154.300000119.5
767N39.7Very low39.2Very low160 Ų160114.2 Ų114.286%0.85673%0.732SS**  cis-139.9168.511.4-160.78.1000114.2
768A41.4Very low39Very low86 Ų86112.2 Ų112.271%0.71171%0.712SS**  trans-82.1-176.9-175.300000114.4
769G41Very low38.5Very low69 Ų69108.5 Ų108.571%0.71169%0.69SS**  cis-170.3-165.56.300000109.3
770N40Very low38.2Very low150 Ų150106.8 Ų106.880%0.80269%0.686SS**  cis-154.3143.31.8-96.6-18.6000107.8
771S37.2Very low37.4Very low109 Ų109106.1 Ų106.176%0.76268%0.684SS**  69.4143.688.8-139.90000114.7
772A35.8Very low36.9Very low79 Ų79107.4 Ų107.465%0.65369%0.69SS**  cis-155.9148.51600000111.1
773V34.1Very low36.5Very low139 Ų139106.1 Ų106.184%0.84270%0.695SS**  76.5138.6881710000115.4
774A33.6Very low36.2Very low70 Ų70107.4 Ų107.458%0.57970%0.701SS**  cis-174.6169.2-20.800000112.8
775T31.3Very low36Very low145 Ų145106.4 Ų106.489%0.8970%0.7SS**  trans49.3138.1144.750.40000123.8
776G32.8Very low35.6Very low60 Ų60107 Ų10762%0.61970%0.704SS**  trans165.7138.9158.600000114.6
777T31.6Very low35Very low90 Ų90106.4 Ų106.455%0.55270%0.699SS**  trans-106.4-92-131.755.50000124.4M742 Q743M742-T777 WeakPolarHBondContact CB-O 3.47Å; M742-T777 WeakPolarHBondContact CG-O 3.25Å; Q743-T777 VanDerWaalsContact CG-C 3.41Å; Q743-T777 PolarHBondContact N-O 3.11Å; Q743-T777 PolarHBondContact NE2-OG1 3.25Å
778G33.1Very low34.6Very low34 Ų34108.3 Ų108.335%0.35170%0.7SS.*  cis-177123.57.600000109.2M742 Q743M742-G778 CarbonylContact C-O 2.96Å; M742-G778 VanDerWaalsContact CA-O 3.24Å; M742-G778 WeakPolarHBondContact CA-O 3.35Å; M742-G778 WeakPolarHBondContact CB-O 3.34Å; M742-G778 PolarHBondContact N-O 3.19Å; Q743-G778 VanDerWaalsContact CB-N 3.28Å
779T33.5Very low34.3Very low71 Ų71108.2 Ų108.244%0.43670%0.699SS.*  trans-86.2167-145.3-2.60000123M742 Q743M742-T779 VanDerWaalsContact O-CA 3.25Å; M742-T779 WeakPolarHBondContact O-CA 3.24Å; Q743-T779 HydrophobicContact CB-CG2 3.86Å; Q743-T779 PolarHBondContact OE1-OG1 3.15Å
780N32.1Very low33.9Very low136 Ų136113.9 Ų113.973%0.72771%0.707SS**  trans73.7167.2142.5-79.4-26.4000121.5
781S32.4Very low33.7Very low82 Ų82110.9 Ų110.957%0.57370%0.703SS**  cis-174.7168.1-30.863.60000112.6
782N30.8Very low33.8Very low157 Ų157111.4 Ų111.484%0.8470%0.704SS**  trans65.1159.1157.8-75.8-11.9000120.1
783A32.3Very low33.7Very low79 Ų79111.5 Ų111.565%0.65371%0.705SS**  cis-169.5-171-21.800000110.9
784Q33.2Very low33.6Very low186 Ų186111.7 Ų111.787%0.86971%0.706SS**  trans87.490.3158.8-66178.9-40.500121.1
785T34.4Very low33.8Very low131 Ų131113.5 Ų113.580%0.80472%0.721SS**  trans-49.5-177.8132.638.50000114.6
786P43.9Very low33.9Very low119 Ų119111.1 Ų111.177%0.77372%0.717SS**  cis-133.3-168-7.227.2-2.5000114.1
787A31.4Very low34.3Very low82 Ų82114.6 Ų114.668%0.67873%0.729SS**  144.2114.3110.900000119
788F30.4Very low34.6Very low201 Ų201114 Ų11488%0.88274%0.74SS**  trans78.3146.5131.7-91.5-93.8000126.1
789A36.3Very low34.4Very low84 Ų84116.5 Ų116.569%0.69476%0.757SS**  trans73.9147.4154.200000120.6
790Q31.3Very low34.5Very low187 Ų187124.2 Ų124.287%0.87478%0.78SS**  cis-163.5154.1-37.1-147.8160.2-15.300109.4
791A35.8Very low34.8Very low87 Ų87123.5 Ų123.572%0.71978%0.783SS**  trans-89.4172.3171.700000111.6
792P39.9Very low34.5Very low121 Ų121127.8 Ų127.879%0.78680%0.798SS**  -159.3-171.684.243.6-23.4000117.4
793A34.2Very low34.6Very low81 Ų81125.2 Ų125.267%0.66980%0.799SS**  trans67.6119.6150.400000119.6
794T32.5Very low34.5Very low142 Ų142126.3 Ų126.387%0.87181%0.808SS**  cis102.9115.628.760.30000114.6
795A37Very low34.1Very low108 Ų108122 Ų12289%0.89380%0.804SS**  trans-157.5141.9156.100000111.9
796A33.3Very low34.1Very low96 Ų96122.3 Ų122.379%0.79381%0.805SS**  trans-165.3-172173.500000106.7
797P41.5Very low33.3Very low133 Ų133121.7 Ų121.786%0.86480%0.802SS**  cis-127.3-164.5-15.441.6-25.3000111.8
798G37.8Very low33.3Very low76 Ų76124.9 Ų124.978%0.78481%0.807SS**  trans-172.2120163.600000113.1
799A29.6Very low33.3Very low87 Ų87123.2 Ų123.272%0.71980%0.802SS**  trans-154.1141.1-178.900000112
800Y35.6Very low33.2Very low234 Ų234124.4 Ų124.492%0.91880%0.803SS**  trans-148.7161.2172.6-81.4-59000110.2
801P36.8Very low32.9Very low121 Ų121122.8 Ų122.879%0.78680%0.799SS**  -116.3-179.6-122.542.7-38.6000117.6
802L26.7Very low32.4Very low172 Ų172127.8 Ų127.890%0.90181%0.805SS**  trans-48.8148172.2-103.565.4000115.6
803A32.1Very low31.8Very low103 Ų103129.3 Ų129.385%0.85181%0.806SS**  trans-140.4157.215400000110
804A30.7Very low31.5Very low101 Ų101133.2 Ų133.284%0.83582%0.815SS**  trans-85.9133.7-15400000117.6
805A26.1Very low31.5Very low96 Ų96132.4 Ų132.479%0.79381%0.812SS**  trans27.5119.9138.200000122
806V33Very low31.3Very low137 Ų137131 Ų13183%0.8381%0.808SS**  trans-138.7134.9141.2-176.80000107.6
807P28.2Very low31.1Very low107 Ų107134 Ų13470%0.69581%0.811SS**  trans-80.8167.4177.932.7-35000113.5
808N30.2Very low30.6Very low148 Ų148132.6 Ų132.679%0.79181%0.81SS**SBendtrans69.252.4171.9-61.5-0.7000117.6
809Q31.3Very low30.1Very low166 Ų166139.2 Ų139.278%0.77681%0.813SS**  trans-141.6134.3153.8-73.6-63-68.200110.6
810P34.3Very low30.1Very low110 Ų110141.9 Ų141.971%0.71482%0.82SS**PPolyproline II helixtrans-76.3129.2167.830.9-31.7000110.5
811L24.8Very low29.6Very low152 Ų152135.3 Ų135.380%0.79682%0.815SS**PPolyproline II helixtrans-72.8134.9177.6-92.476.6000111.8L813L811-L813 HydrophobicContact CB-CD1 4.28Å
812F25Very low29.3Very low193 Ų193134.3 Ų134.385%0.84682%0.816SS**PPolyproline II helixtrans-78.8132161.9-74.3-99.5000110.2
813L26.6Very low29.5Very low152 Ų152130.2 Ų130.280%0.79681%0.807SS**  trans-117.9115.6161.8-83.283.5000109.3L811L811-L813 HydrophobicContact CB-CD1 4.28Å
814L27.7Very low29.4Very low163 Ų163131.4 Ų131.485%0.85381%0.806SS**  trans-99.8140.3162.4-72.4108.2000109.8
815P34.1Very low29.5Very low125 Ų125132 Ų13281%0.81280%0.8SS**  trans-133.8126.4149.234.1-20.2000113.7
816G32.3Very low29.7Very low79 Ų79133.5 Ų133.581%0.81480%0.801SS**  trans79.9105.8140.900000119
817N28.8Very low29.6Very low159 Ų159133.7 Ų133.785%0.8580%0.796SS**  trans-69.1138.9165.8-67-40.4000112.4
818A31.4Very low29.5Very low104 Ų104139.3 Ų139.386%0.8681%0.805SS**  trans-150.3102.5150.300000110.4
819Y26Very low29.6Very low214 Ų214136.2 Ų136.284%0.83980%0.8SS**  trans-81.3136.4170.6-86.1-109.9000110.6
820V30.8Very low29.4Very low144 Ų144135.4 Ų135.487%0.87380%0.801SS**  -147.6132.5124179.50000107.6
821A25.6Very low29.3Very low96 Ų96135.5 Ų135.579%0.79380%0.804SS**  trans-93.2138.7170.200000110.5
822A29.9Very low29.5Very low100 Ų100136 Ų13683%0.82681%0.808SS**  trans-127.5117.7172.600000109.7
823A30.7Very low29.8Very low85 Ų85133.6 Ų133.670%0.70281%0.808SS**  trans-76.9153.4174.200000110.7T825A823-T825 PolarHBondContact O-N 3.16Å
824P30.6Very low29.8Very low128 Ų128132.1 Ų132.183%0.83181%0.806SS**  trans-72.9127.5-174.928.8-34.8000112.4
825T32.5Very low30Very low114 Ų114129.7 Ų129.770%0.69980%0.801SS**  trans-123.8113171.247.10000110.7A823 I827A823-T825 PolarHBondContact O-N 3.16Å; T825-I827 PolarHBondContact O-N 2.92Å
826P29.3Very low29.8Very low127 Ų127129.2 Ų129.283%0.82580%0.796SS**  trans-79.1121.2173.530.9-31.6000109.9
827I30.9Very low29.7Very low142 Ų142130.8 Ų130.873%0.72879%0.794SS**  trans-125100175.5-59.8-179.8000109.2T825 A829T825-I827 PolarHBondContact O-N 2.92Å; I827-A829 HydrophobicContact CG2-CB 4.43Å
828Y26.5Very low29.9Very low225 Ų225127.9 Ų127.988%0.88279%0.792SS**  trans-76.4126160.6-101.8-91.7000109
829A32.2Very low30.1Very low82 Ų82129.6 Ų129.668%0.67879%0.792SS**  trans-143.993.6172.800000110.9I827I827-A829 HydrophobicContact CG2-CB 4.43Å
830N26.8Very low30.6Very low149 Ų149123.3 Ų123.380%0.79779%0.785SS**  trans-73.6132.4165.2-84.5-26.7000109.6
831S32.8Very low31.1Very low112 Ų112122.5 Ų122.578%0.78378%0.782SS**  trans-152.6106.7165.3-79.90000110.7
832N28.4Very low32Very low164 Ų164124.1 Ų124.188%0.87779%0.785SS**  trans-78.1133.6170-72.5-30.9000109.8
833V31.8Very low32.5Very low141 Ų141122.6 Ų122.686%0.85578%0.779SS**  trans-134.5134.6159.3-1780000108.1
834V27.6Very low33Very low122 Ų122125.5 Ų125.574%0.73979%0.788SS**  trans-125.1127-1741740000110.1
835C30.1Very low33.6Very low111 Ų111125 Ų12575%0.7579%0.785SS**  trans-146.2118.9157-77.60000106.4
836T30.4Very low34Very low116 Ų116125.8 Ų125.871%0.71279%0.789SS**  58.9134.172.765.70000114.1
837S29.7Very low34.5Very low111 Ų111128.6 Ų128.678%0.77679%0.792SS**  cis-178.2139.3-10.246.90000111.2
838A34.1Very low34.7Very low98 Ų98130.3 Ų130.381%0.8180%0.797SS**  trans174.4167.9151.300000111.2
839T35.7Very low35.5Very low140 Ų140124.2 Ų124.286%0.85979%0.785SS**  -161.3149.8-65.3-820000106.9
840A35.7Very low35.9Very low83 Ų83126.2 Ų126.269%0.68679%0.794SS**  trans-84.2-177.9-169.500000115.5
841P42.1Very low36.4Very low126 Ų126122.1 Ų122.182%0.81879%0.787SS**  -144.117295.439.4-24.5000116.7
842P43.1Very low36.7Very low131 Ų131125.3 Ų125.385%0.85180%0.795SS**  trans-128172.9-169.543-28.9000117.7
843G41.6Very low37.1Very low68 Ų68120.7 Ų120.770%0.70179%0.787SS**  trans157.6154.3166.300000112.2
844T40.2Very low37.1Very low145 Ų145122.1 Ų122.189%0.8979%0.789SS**  cis-160.5156.7-6-9.60000109.6
845P44.7Very low37.4Very low117 Ų117123.5 Ų123.576%0.7679%0.79SS**  trans-125.9159.2-165.341.7-29.3000118.6
846T40.5Very low37.4Very low131 Ų131126 Ų12680%0.80479%0.791SS**  trans-162.3154.1162.139.70000109.3
847Q38.8Very low37.5Very low186 Ų186127.7 Ų127.787%0.86980%0.795SS**  cis-150-176-12.9-125.7-179.148.900111.5
848Q35.1Very low37.4Very low178 Ų178128.2 Ų128.283%0.83279%0.793SS**  trans-98.6-167.7-162.6-121.5-178.6-37.200113.5
849P44.3Very low37.4Very low98 Ų98127.5 Ų127.564%0.63680%0.795SS**  cis-142.2-179.9-11.934.7-12.5000118.5
850S39.4Very low37.1Very low123 Ų123130.1 Ų130.186%0.8680%0.798SS**  trans80.7142150.1740000120.7
851G37.8Very low36.8Very low64 Ų64131 Ų13166%0.6681%0.805SS**  cis-179.6168.8-6.900000115.9
852N39.3Very low36.3Very low178 Ų178130 Ų13095%0.95281%0.807SS**  trans70.6126.9172.9-51.3-19.1000118.1
853G36.3Very low35.6Very low68 Ų68128.3 Ų128.370%0.70180%0.804SS**  cis160150.2-16.400000115.3
854L33.1Very low35Very low171 Ų171129.5 Ų129.590%0.89581%0.807SS**  trans71139.8155.2-66.6158.1000117.8
855I33.9Very low34.4Very low150 Ų150131.9 Ų131.977%0.76981%0.811SS**  cis-139158-0.2-54.5-173.9000111.3
856Q28.5Very low33.7Very low163 Ų163137 Ų13776%0.76282%0.817SS**  trans-74.6170.3176.8-57.2164.9-3200116.2
857L32.7Very low33.3Very low153 Ų153135.1 Ų135.180%0.80182%0.815SS**  167.889.2128.1-88167.1000109.4
858T29.2Very low32.9Very low122 Ų122131.1 Ų131.175%0.74881%0.813SS**  60.1116.294.763.30000117.3
859G32.8Very low32.8Very low82 Ų82127.6 Ų127.685%0.84582%0.815SS**  trans-177.2125.4165.300000111.8
860Q29.5Very low32.3Very low196 Ų196126.7 Ų126.792%0.91682%0.823SS**  trans-113.1178.3179.7-68.7-177.7-71.900111.5
861A30.7Very low31.8Very low102 Ų102130.4 Ų130.484%0.84383%0.827SS**  trans75.7147165.500000116.2
862A30.3Very low31.6Very low104 Ų104131 Ų13186%0.8683%0.826SS**  cis-152.9-179.1-12.300000110.3
863A28.1Very low31.3Very low95 Ų95128.9 Ų128.979%0.78582%0.822SS**  trans-90.3159.3-168.600000115.7
864A28.8Very low31Very low93 Ų93135.1 Ų135.177%0.76983%0.83SS**  trans66.9133150.400000120.6
865M29.5Very low30.8Very low195 Ų195131.3 Ų131.396%0.96182%0.823SS**  -153.7165.9125.6-88.4-104.6176.700108.5
866Y29.6Very low30.9Very low225 Ų225130 Ų13088%0.88282%0.824SS**  trans-105.4175.6-161.2-122.9-102.5000114.9
867A31.2Very low31.3Very low92 Ų92130 Ų13076%0.7683%0.83SS**  trans-85.8155.4-16900000116.7
868A31.6Very low31.4Very low101 Ų101127.8 Ų127.884%0.83582%0.822SS**  trans-168.8152.9155.800000108.2
869A32.8Very low31.7Very low105 Ų105123.9 Ų123.987%0.86881%0.807SS**  cis-167.1164.2-21.800000107.7
870G32.4Very low32Very low79 Ų79124.4 Ų124.481%0.81478%0.784SS**  trans151.7141.7169.800000115
871Q29.9Very low32.4Very low200 Ų200116 Ų11694%0.93575%0.745SS**  trans-111.7144.8-179.7-66.6177.3-33.800112.1
872A32.8Very low32.8Very low78 Ų78113.3 Ų113.365%0.64572%0.715SS**  trans-157.7130.8146.300000109.4
873P32.9Very low32.9Very low133 Ų133113 Ų11386%0.86469%0.692SS**PPolyproline II helixtrans-83121.6171.731.9-30.5000110.2
874F31.3Very low33.2Very low198 Ų198111.4 Ų111.487%0.86868%0.678SS**PPolyproline II helixtrans-79.6124.7168.1-85.8-92.7000110
875A28.2Very low33.4Very low91 Ų91111.8 Ų111.875%0.75268%0.682SS**PPolyproline II helixtrans-90.1126.8164.700000108.8
876P37.4Very low33.7Very low123 Ų123109.5 Ų109.580%0.79968%0.679SS**PPolyproline II helixtrans-80.8127169.331.3-30.8000110.1
877D35.6Very low33.9Very low164 Ų164102 Ų10288%0.87767%0.671SS**PPolyproline II helixtrans-63.9145.8168.5-94-45.6000110.6G879D877-G879 PolarHBondContact O-N 3.4Å
878T36Very low34Very low105 Ų105102.2 Ų102.264%0.64467%0.672SS**  trans-77.880.2-17440.50000113.1
879G34.2Very low34.1Very low41 Ų41107 Ų10742%0.42368%0.677SS.*PPolyproline II helixtrans-67.2137.8168.300000112.8D877D877-G879 PolarHBondContact O-N 3.4Å
880Y39.1Very low34.1Very low93 Ų93109.6 Ų109.637%0.36568%0.676SS.*PPolyproline II helixtrans-98.9135.2172.3-75.5-98.5000110.2T65 V98 Q882T65-Y880 HydrophobicContact CG2-CD1 3.44Å; T65-Y880 VanDerWaalsContact CG2-CD1 3.44Å; T65-Y880 HydrophobicContact CG2-CD2 4.49Å; T65-Y880 HydrophobicContact CG2-CE1 3.25Å; T65-Y880 HydrophobicContact CG2-CE2 4.34Å; T65-Y880 HydrophobicContact CG2-CG 4.08Å; V98-Y880 HydrophobicContact CB-CE1 4.32Å; V98-Y880 HydrophobicContact CG1-CE1 3.73Å; V98-Y880 HydrophobicContact CG2-CD1 4.26Å; V98-Y880 HydrophobicContact CG2-CE1 3.58Å; Y880-Q882 PolarHBondContact O-N 3.49Å
881M37.3Very low34.2Very low18 Ų18111.1 Ų111.19%0.08967%0.671CS.*PPolyproline II helixtrans-76.2122.4169-60.1-118.7-81.100108.7M17 F22 A25 F30 G63 F64M17-M881 HydrophobicContact CE-CG 4.02Å; M17-M881 HydrophobicContact CE-SD 4.11Å; F22-M881 HydrophobicContact CD2-CE 3.62Å; F22-M881 HydrophobicContact CD2-SD 4.18Å; F22-M881 HydrophobicContact CE2-CE 3.77Å; A25-M881 HydrophobicContact CB-SD 4.14Å; F30-M881 HydrophobicContact CZ-CE 4.5Å; G63-M881 WeakPolarHBondContact CA-O 3.34Å; F64-M881 WeakPolarHBondContact O-CB 3.47Å
882Q39.7Very low34.3Very low47 Ų47111.5 Ų111.522%0.2267%0.673CS.*  trans-133.3116.5175.4-174.6-167.1-11700109.2Y15 R73 Y880 A884Y15-Q882 PolarHBondContact O-NE2 2.82Å; R73-Q882 VanDerWaalsContact NH2-CG 3.31Å; Y880-Q882 PolarHBondContact O-N 3.49Å; Q882-A884 PolarHBondContact O-N 3.3Å
883Y33.1Very low34.4Very low98 Ų98111.1 Ų111.138%0.38468%0.677SS.*PPolyproline II helixtrans-76.7125.8170.6-83.5-118.5000110.3F22 M43 R73F22-Y883 HydrophobicContact CD2-CE2 4.36Å; F22-Y883 WeakPolarHBondContact CD2-OH 3.36Å; F22-Y883 HydrophobicContact CE2-CE2 4.31Å; F22-Y883 VanDerWaalsContact CE2-OH 3.22Å; F22-Y883 WeakPolarHBondContact CE2-OH 2.95Å; F22-Y883 VanDerWaalsContact CZ-OH 3.32Å; F22-Y883 WeakPolarHBondContact CZ-OH 3.49Å; M43-Y883 HydrophobicContact CE-CD2 3.26Å; M43-Y883 HydrophobicContact CE-CE2 3.73Å; M43-Y883 HydrophobicContact CE-CG 4Å; M43-Y883 HydrophobicContact SD-CD2 4.21Å; M43-Y883 HydrophobicContact SD-CE2 4.06Å; R73-Y883 PolarHBondContact NH1-O 3.04Å; R73-Y883 PolarHBondContact NH2-O 3.33Å
884A33.7Very low34.8Very low60 Ų60110.4 Ų110.450%0.49667%0.67SS.*PPolyproline II helixtrans-93.7140.3155.500000108.1Q882 T886Q882-A884 PolarHBondContact O-N 3.3Å; A884-T886 PolarHBondContact O-N 3.5Å
885A34.1Very low34.6Very low102 Ų102111.8 Ų111.884%0.84367%0.671SS**PPolyproline II helixtrans-65.4130.1165.200000108.2G887A885-G887 VanDerWaalsContact C-N 3.28Å; A885-G887 PolarHBondContact O-N 3.21Å
886T35.8Very low34.9Very low147 Ų147115.6 Ų115.690%0.90267%0.673SS**  trans-76.274.2-173.334.70000112.3A884A884-T886 PolarHBondContact O-N 3.5Å
887G32.5Very low34.9Very low68 Ų68118 Ų11870%0.70167%0.674SS**  trans-59.9131.4154.300000109.4A885A885-G887 VanDerWaalsContact C-N 3.28Å; A885-G887 PolarHBondContact O-N 3.21Å
888A34.7Very low34.9Very low96 Ų96117.8 Ų117.879%0.79367%0.672SS**  trans-62.3139.9-177.100000111.5L890A888-L890 PolarHBondContact O-N 2.85Å
889Q32.9Very low34.9Very low200 Ų200121 Ų12194%0.93568%0.684SS**  trans-66.3105.9175.3-76-177.9-40.300110.5
890L33.4Very low34.8Very low161 Ų161127 Ų12784%0.84371%0.706SS**  trans-76.3141.9161.9-75.8167.3000109.7A888A888-L890 PolarHBondContact O-N 2.85Å
891P34.6Very low34.4Very low111 Ų111134.7 Ų134.772%0.72173%0.734SS**  trans-59.5146.7176.5-24.534.5000112.9G893P891-G893 PolarHBondContact O-N 2.85Å; P891-G893 VanDerWaalsContact O-N 3.1Å
892Q32.1Very low34.1Very low208 Ų208139.5 Ų139.597%0.97277%0.77SS**THydrogen-bonded Turntrans-64.1111.2171.8-69.4-175.5-10.500110.1
893G34.9Very low33.7Very low70 Ų70142.7 Ų142.772%0.72280%0.797SS**THydrogen-bonded Turntrans171.3-33.8176.600000115.4P891P891-G893 PolarHBondContact O-N 2.85Å; P891-G893 VanDerWaalsContact O-N 3.1Å
894T39.5Very low33.7Very low117 Ų117143.6 Ų143.672%0.71882%0.818SS**  trans-113.5106.8-168.1-40.80000112.6
895Y28.3Very low33.9Very low227 Ų227147.4 Ų147.489%0.8984%0.835SS**  trans-81.3116.9168.7-76.4-92.8000110.6
896H34.8Very low34.2Very low171 Ų171147 Ų14779%0.79282%0.823SS**  trans-125.6120.6156.5-79.4-79.1000109.4
897Q35.9Very low34.1Very low175 Ų175144.9 Ų144.982%0.81882%0.821SS**  trans-77.9174.3160.6-63.7-158.325.300109.8
898N36.5Very low34.2Very low158 Ų158150.6 Ų150.685%0.84582%0.823SS**  trans79.460.6178.9-50.7-25.1000116.4
899L35.3Very low34.4Very low172 Ų172149.9 Ų149.990%0.90182%0.824SS**  trans-150.333.4164.3-117.1159000115.2
900L32.6Very low34.6Very low168 Ų168148.5 Ų148.588%0.8882%0.818SS**  trans-145.584.7173.5-81.8174000110.9
901R31Very low35Very low255 Ų255145.2 Ų145.296%0.96281%0.814SS**  trans-161.140.3174.9-119.1166.5-154.5-112.14.4117.6
902S31Very low35.4Very low119 Ų119148 Ų14883%0.83282%0.817SS**  trans-162144.5165.645.50000109.2
903S30.9Very low35.8Very low114 Ų114144.4 Ų144.480%0.79781%0.812SS**SBendcis-152.7117.6-0.5500000112.2
904S34.2Very low36.1Very low116 Ų116144.4 Ų144.481%0.81181%0.812SS**  trans-161.6123.8153.550.30000109.7
905V36.3Very low36.2Very low141 Ų141148.2 Ų148.286%0.85582%0.821SS**  trans-120.4110.9173.9177.50000107.2A907V905-A907 PolarHBondContact O-N 2.76Å
906P40.2Very low36.7Very low92 Ų92146.6 Ų146.660%0.59782%0.822SS**  trans-66.4128.8171.8-18.632.1000110Y908P906-Y908 PolarHBondContact O-N 2.89Å; P906-Y908 VanDerWaalsContact O-N 3.14Å
907A34.8Very low37.2Very low104 Ų104144.5 Ų144.586%0.8682%0.823SS**  trans-74.8101.3173.900000109.9V905 G909V905-A907 PolarHBondContact O-N 2.76Å; A907-G909 PolarHBondContact O-N 3.48Å; A907-G909 VanDerWaalsContact O-N 3.13Å
908Y34Very low37.5Very low188 Ų188141 Ų14174%0.73783%0.825SS**  trans-69.8105.5174-91.7-92.6000110.7P906 Q910P906-Y908 PolarHBondContact O-N 2.89Å; P906-Y908 VanDerWaalsContact O-N 3.14Å; Y908-Q910 PolarHBondContact O-N 3.47Å
909G38.4Very low37.9Very low80 Ų80138.7 Ų138.783%0.82583%0.828SS**  trans-72.5104.1169.100000111A907 A911A907-G909 PolarHBondContact O-N 3.48Å; A907-G909 VanDerWaalsContact O-N 3.13Å; G909-A911 PolarHBondContact O-N 3.01Å
910Q37.6Very low38.4Very low172 Ų172134.2 Ų134.280%0.80482%0.823SS**  trans-87.2104.6178-164.4173.444.500110.9Y908Y908-Q910 PolarHBondContact O-N 3.47Å
911A42.6Very low38.8Very low92 Ų92138.4 Ų138.476%0.7683%0.827SS**PPolyproline II helixtrans-87.5126.4172.600000111G909G909-A911 PolarHBondContact O-N 3.01Å
912H43.3Very low39.6Very low170 Ų170131.3 Ų131.379%0.78782%0.817SS**PPolyproline II helixtrans-74.2133.1177.3-70.4-84.9000112.2
913P39Very low40.3Very low132 Ų132130.9 Ų130.986%0.85781%0.813SS**PPolyproline II helixtrans-80.1116.8169.531.1-31.8000111.2
914G42.6Very low41Very low70 Ų70133 Ų13372%0.72282%0.815SS**  trans-120.7107-174.400000115.1
915Q41.3Very low41.7Very low196 Ų196136.9 Ų136.992%0.91682%0.817SS**  trans55.2108.8156.4-58.9-1753.300119.8
916Q38.6Very low42.3Very low193 Ų193142 Ų14290%0.90284%0.838SS**  trans-86.2139.7148.7-68.5179-17.500110.6
917P46Very low42.4Very low127 Ų127144.5 Ų144.583%0.82585%0.851SS**  trans-90.8160.3149.334.7-30000111
918A42.3Very low42.8Very low102 Ų102146.6 Ų146.684%0.84385%0.85SS**  trans-113.6178.2-164.300000115.4
919A43.1Very low43.3Very low110 Ų110144.3 Ų144.391%0.90986%0.856SS**  trans80.8133167.400000118.4
920G45.9Very low43.6Very low78 Ų78148.1 Ų148.180%0.80486%0.858SS**  trans158.551.4179.700000114.6
921R41.2Very low44Very low255 Ų255146.6 Ų146.696%0.96286%0.862SS**  trans-104.198.4-170.8-141.1-173.6-169.2-166.13.6112.7
922S48Very low44.1Very low107 Ų107150.2 Ų150.275%0.74887%0.868SS**  trans-158.4100.8167.450.90000109.8
923S46.4Very low44.1Very low109 Ų109148.8 Ų148.876%0.76287%0.874SS**  89.49574-72.30000113.9
924L45.3Very low44.5Very low160 Ų160150.1 Ų150.184%0.83888%0.875SS**  trans32.3110.6147.2-81.283.6000119.4
925K48.5Very low44.7Very low196 Ų196156.8 Ų156.885%0.85289%0.888SS**  16497108.7-91.4176.9179.7179.40113.1
926L49.5Very low45Very low248 Ų248153.2 Ų153.2100%1.29889%0.886SS**  -167.40121.3-110.4157.2000109.4

Retrieved 926 of 926 residues in 2441.7 ms (Link to these results)