A0A096MCE1_POEFO Loading...

SPT20 homolog, SAGA complex component

AlphaFold DB , UniProt , Accession A0A096MCE1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 834 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
1M75.4Confident90.8Very high208 Ų208111.5 Ų111.5100%1.02553%0.534SS*.  0-62.70-165.6179.6-73.800111.5Q3 V4 L5M1-Q3 PolarHBondContact O-N 3.01Å; M1-V4 WeakPolarHBondContact O-CB 3.08Å; M1-V4 PolarHBondContact O-N 3.1Å; M1-L5 PolarHBondContact O-N 3.31Å
2Q85.7Confident90.9Very high138 Ų138102.4 Ų102.465%0.64549%0.491SS*.Hα-helixtrans-48-54.4-175.4-173.2170.5-7.400114.9V4 L5 E6Q2-V4 PolarHBondContact O-N 3.07Å; Q2-V4 VanDerWaalsContact O-N 3.14Å; Q2-L5 WeakPolarHBondContact O-CB 3.38Å; Q2-L5 PolarHBondContact O-N 2.75Å; Q2-E6 PolarHBondContact O-N 2.96Å
3Q89.3Confident90.9Very high157 Ų157102.4 Ų102.473%0.73449%0.49SS*.Hα-helixtrans-56.2-30.1177-69.4169.9-26.800114.2M1 Y7M1-Q3 PolarHBondContact O-N 3.01Å; Q3-Y7 WeakPolarHBondContact O-CB 3.32Å; Q3-Y7 PolarHBondContact O-N 3.21Å
4V90.1Very high90.9Very high85 Ų85107.1 Ų107.152%0.51550%0.502SS..Hα-helixtrans-75.1-36178.2-177.20000110.6M1 Q2 A8 I216M1-V4 WeakPolarHBondContact O-CB 3.08Å; M1-V4 PolarHBondContact O-N 3.1Å; Q2-V4 PolarHBondContact O-N 3.07Å; Q2-V4 VanDerWaalsContact O-N 3.14Å; V4-A8 WeakPolarHBondContact O-CB 3.43Å; V4-A8 PolarHBondContact O-N 3.3Å; V4-I216 HydrophobicContact CG1-CD1 4.37Å
5L92.7Very high90.7Very high80 Ų80103.9 Ų103.942%0.41949%0.489SS..Hα-helixtrans-71.4-40.3173.6179.561.3000111.4M1 Q2 A8 L9 I216M1-L5 PolarHBondContact O-N 3.31Å; Q2-L5 WeakPolarHBondContact O-CB 3.38Å; Q2-L5 PolarHBondContact O-N 2.75Å; L5-A8 CarbonylContact O-C 3.52Å; L5-A8 PolarHBondContact O-N 3.09Å; L5-L9 HydrophobicContact CD1-CG 4.47Å; L5-L9 HydrophobicContact CG-CD1 4.25Å; L5-L9 VanDerWaalsContact O-CG 3.3Å; L5-L9 WeakPolarHBondContact O-CG 3.45Å; L5-L9 PolarHBondContact O-N 3.15Å; L5-I216 HydrophobicContact CD1-CG2 4.2Å
6E94.1Very high90.5Very high105 Ų10598.1 Ų98.149%0.49146%0.463SS..Hα-helixtrans-59.5-54.6175.2-171.4166.4-147.900111Q2 A8 L9 D10Q2-E6 PolarHBondContact O-N 2.96Å; E6-A8 VanDerWaalsContact C-N 3.25Å; E6-A8 PolarHBondContact O-N 2.89Å; E6-L9 WeakPolarHBondContact O-CB 3.22Å; E6-L9 PolarHBondContact O-N 3Å; E6-D10 PolarHBondContact O-N 3.11Å
7Y94.9Very high90.1Very high131 Ų13196 Ų9651%0.51445%0.453SS..Hα-helixtrans-56.3-37171.3173.5-96.9000113Q3 R11Q3-Y7 WeakPolarHBondContact O-CB 3.32Å; Q3-Y7 PolarHBondContact O-N 3.21Å; Y7-R11 WeakPolarHBondContact O-CB 3.29Å; Y7-R11 PolarHBondContact O-N 3.06Å; Y7-R11 PolarHBondContact OH-NH1 3.49Å
8A94Very high89.6Confident1 Ų193.3 Ų93.31%0.00845%0.446CS..Hα-helixtrans-70.7-29.2177.800000113.4V4 L5 E6 A12 I216 S217V4-A8 WeakPolarHBondContact O-CB 3.43Å; V4-A8 PolarHBondContact O-N 3.3Å; L5-A8 CarbonylContact O-C 3.52Å; L5-A8 PolarHBondContact O-N 3.09Å; E6-A8 VanDerWaalsContact C-N 3.25Å; E6-A8 PolarHBondContact O-N 2.89Å; A8-A12 VanDerWaalsContact O-CB 3.29Å; A8-A12 WeakPolarHBondContact O-CB 3.27Å; A8-A12 PolarHBondContact O-N 2.92Å; A8-I216 HydrophobicContact CB-CB 4.23Å; A8-I216 HydrophobicContact CB-CG2 3.82Å; A8-S217 WeakPolarHBondContact CA-OG 3.01Å
9L94.5Very high88.8Confident94 Ų9492.1 Ų92.149%0.49245%0.453SS..Hα-helixtrans-74.3-46.5173-71.8166.2000111.1L5 E6 R11 A12 E13 C220L5-L9 HydrophobicContact CD1-CG 4.47Å; L5-L9 HydrophobicContact CG-CD1 4.25Å; L5-L9 VanDerWaalsContact O-CG 3.3Å; L5-L9 WeakPolarHBondContact O-CG 3.45Å; L5-L9 PolarHBondContact O-N 3.15Å; E6-L9 WeakPolarHBondContact O-CB 3.22Å; E6-L9 PolarHBondContact O-N 3Å; L9-R11 VanDerWaalsContact C-N 3.31Å; L9-R11 PolarHBondContact O-N 3.2Å; L9-A12 WeakPolarHBondContact O-CB 3.48Å; L9-A12 PolarHBondContact O-N 3.45Å; L9-A12 VanDerWaalsContact O-N 3.09Å; L9-E13 PolarHBondContact O-N 2.97Å; L9-C220 HydrophobicContact CD2-CB 4.2Å
10D94.4Very high87.9Confident109 Ų10993.2 Ų93.258%0.58345%0.452SS*.Hα-helixtrans-58.6-44.6174.7-70.9-15.2000111.1E6 A12 E13 Y14E6-D10 PolarHBondContact O-N 3.11Å; D10-A12 VanDerWaalsContact C-N 3.32Å; D10-A12 PolarHBondContact O-N 2.99Å; D10-E13 PolarHBondContact O-N 2.78Å; D10-Y14 WeakPolarHBondContact O-CB 3.46Å; D10-Y14 PolarHBondContact O-N 2.71Å
11R93.3Very high87Confident118 Ų11894.8 Ų94.845%0.44546%0.459SS..Hα-helixtrans-64.4-35.5175.5-176166.2175.7157.1-6.3112.2Y7 L9 I15Y7-R11 WeakPolarHBondContact O-CB 3.29Å; Y7-R11 PolarHBondContact O-N 3.06Å; Y7-R11 PolarHBondContact OH-NH1 3.49Å; L9-R11 VanDerWaalsContact C-N 3.31Å; L9-R11 PolarHBondContact O-N 3.2Å; R11-I15 HydrophobicContact CG-CD1 4.01Å; R11-I15 WeakPolarHBondContact O-CB 3.42Å; R11-I15 WeakPolarHBondContact O-CD1 3.37Å; R11-I15 WeakPolarHBondContact O-CG1 3.4Å; R11-I15 PolarHBondContact O-N 3.33Å
12A92.6Very high86.6Confident3 Ų392 Ų923%0.02544%0.437CS..Hα-helixtrans-69.6-40174.600000112.5A8 L9 D10 I15 V16 C220 T221A8-A12 VanDerWaalsContact O-CB 3.29Å; A8-A12 WeakPolarHBondContact O-CB 3.27Å; A8-A12 PolarHBondContact O-N 2.92Å; L9-A12 WeakPolarHBondContact O-CB 3.48Å; L9-A12 PolarHBondContact O-N 3.45Å; L9-A12 VanDerWaalsContact O-N 3.09Å; D10-A12 VanDerWaalsContact C-N 3.32Å; D10-A12 PolarHBondContact O-N 2.99Å; A12-I15 PolarHBondContact O-N 3.42Å; A12-V16 WeakPolarHBondContact O-CG2 3.05Å; A12-V16 PolarHBondContact O-N 2.7Å; A12-C220 HydrophobicContact CB-CB 3.65Å; A12-T221 WeakPolarHBondContact CA-OG1 3.45Å; A12-T221 WeakPolarHBondContact CB-OG1 3.5Å
13E90.5Very high85.7Confident102 Ų10287.3 Ų87.348%0.47742%0.419SS..Hα-helixtrans-63.1-45172.9-170.2106.3-85.300110.7L9 D10 I15 V16 E17 R224L9-E13 PolarHBondContact O-N 2.97Å; D10-E13 PolarHBondContact O-N 2.78Å; E13-I15 PolarHBondContact O-N 2.73Å; E13-V16 PolarHBondContact O-N 3.1Å; E13-E17 PolarHBondContact O-N 3.15Å; E13-R224 IonicContact OE1-CZ 3.51Å; E13-R224 IonicContact OE1-NE 3.82Å; E13-R224 PolarHBondContact OE1-NE 3.2Å; E13-R224 IonicContact OE1-NH2 3.93Å; E13-R224 PolarHBondContact OE1-NH2 3.46Å; E13-R224 IonicContact OE2-NH2 3.2Å
14Y91.1Very high84.4Confident168 Ų16884 Ų8466%0.65942%0.418SS*.Hα-helixtrans-59.5-43.2173.9175.9-94.4000112.5D10 E17 S18D10-Y14 WeakPolarHBondContact O-CB 3.46Å; D10-Y14 PolarHBondContact O-N 2.71Å; Y14-E17 PolarHBondContact O-N 2.85Å; Y14-S18 VanDerWaalsContact O-CB 3.23Å; Y14-S18 WeakPolarHBondContact O-CB 3.42Å; Y14-S18 PolarHBondContact O-N 2.86Å; Y14-S18 PolarHBondContact O-OG 3.08Å
15I88.1Confident82.9Confident60 Ų6087.2 Ų87.231%0.30843%0.425SS..Hα-helixtrans-62.9-43.3175.7-72.7163.4000110.7R11 A12 E13 S18 A19 T221R11-I15 HydrophobicContact CG-CD1 4.01Å; R11-I15 WeakPolarHBondContact O-CB 3.42Å; R11-I15 WeakPolarHBondContact O-CD1 3.37Å; R11-I15 WeakPolarHBondContact O-CG1 3.4Å; R11-I15 PolarHBondContact O-N 3.33Å; A12-I15 PolarHBondContact O-N 3.42Å; E13-I15 PolarHBondContact O-N 2.73Å; I15-S18 WeakPolarHBondContact CA-OG 3.45Å; I15-S18 PolarHBondContact O-OG 3.31Å; I15-A19 VanDerWaalsContact O-CB 3.25Å; I15-A19 WeakPolarHBondContact O-CB 3.4Å; I15-A19 PolarHBondContact O-N 2.89Å; I15-T221 HydrophobicContact CG2-CG2 3.91Å
16V87.1Confident81.2Confident11 Ų1193.2 Ų93.27%0.06744%0.442CS..Hα-helixtrans-67-40.2178.9171.10000112.3A12 E13 R20 T221 R224 L225A12-V16 WeakPolarHBondContact O-CG2 3.05Å; A12-V16 PolarHBondContact O-N 2.7Å; E13-V16 PolarHBondContact O-N 3.1Å; V16-R20 WeakPolarHBondContact O-CB 3.33Å; V16-R20 WeakPolarHBondContact O-CD 3.21Å; V16-R20 VanDerWaalsContact O-CG 3.28Å; V16-R20 WeakPolarHBondContact O-CG 3.5Å; V16-R20 PolarHBondContact O-N 2.9Å; V16-T221 HydrophobicContact CG2-CG2 4.18Å; V16-R224 HydrophobicContact CG2-CG 4.32Å; V16-L225 HydrophobicContact CG2-CD2 4.34Å
17E84.4Confident79.4Confident62 Ų62100 Ų10029%0.2946%0.463SS..Hα-helixtrans-84-21.2179.3-157.860.1-133.800114E13 Y14 R20 Q21 R58E13-E17 PolarHBondContact O-N 3.15Å; Y14-E17 PolarHBondContact O-N 2.85Å; E17-R20 VanDerWaalsContact CD-CD 3.41Å; E17-R20 WeakPolarHBondContact O-CB 3.36Å; E17-R20 WeakPolarHBondContact OE1-CD 3.5Å; E17-R20 WeakPolarHBondContact OE2-CD 3.43Å; E17-R20 IonicContact OE2-CZ 3.77Å; E17-R20 IonicContact OE2-NE 2.66Å; E17-R20 IonicContact OE2-NH1 2.71Å; E17-R20 PolarHBondContact OE2-NH1 3.26Å; E17-Q21 WeakPolarHBondContact O-CG 3.43Å; E17-Q21 PolarHBondContact O-NE2 3.45Å; E17-R58 IonicContact OE1-CZ 2.71Å; E17-R58 IonicContact OE1-NH1 3.86Å; E17-R58 IonicContact OE1-NH2 3.45Å; E17-R58 PolarHBondContact OE1-NH2 2.95Å
18S80.9Confident77.4Confident47 Ų4798.6 Ų98.633%0.32946%0.463SS..Hα-helixtrans-76.3-40.1169.356.50000112.1Y14 I15 R20 Q21Y14-S18 VanDerWaalsContact O-CB 3.23Å; Y14-S18 WeakPolarHBondContact O-CB 3.42Å; Y14-S18 PolarHBondContact O-N 2.86Å; Y14-S18 PolarHBondContact O-OG 3.08Å; I15-S18 WeakPolarHBondContact CA-OG 3.45Å; I15-S18 PolarHBondContact O-OG 3.31Å; S18-R20 PolarHBondContact O-N 3.34Å; S18-R20 VanDerWaalsContact O-N 3.15Å; S18-Q21 PolarHBondContact O-N 3.47Å
19A74.7Confident75.4Confident71 Ų71104.1 Ų104.159%0.58750%0.502SS*.Hα-helixtrans-60.9-22.1171.500000113.3I15 Y44I15-A19 VanDerWaalsContact O-CB 3.25Å; I15-A19 WeakPolarHBondContact O-CB 3.4Å; I15-A19 PolarHBondContact O-N 2.89Å; A19-Y44 PolarHBondContact O-OH 2.94Å
20R70.3Confident73.7Confident113 Ų113104.5 Ų104.543%0.42651%0.513SS..THydrogen-bonded Turntrans-81.9-9.7175.5-89.6172.8-179.3-178.12.6114.8V16 E17 S18 R58V16-R20 WeakPolarHBondContact O-CB 3.33Å; V16-R20 WeakPolarHBondContact O-CD 3.21Å; V16-R20 VanDerWaalsContact O-CG 3.28Å; V16-R20 WeakPolarHBondContact O-CG 3.5Å; V16-R20 PolarHBondContact O-N 2.9Å; E17-R20 VanDerWaalsContact CD-CD 3.41Å; E17-R20 WeakPolarHBondContact O-CB 3.36Å; E17-R20 WeakPolarHBondContact OE1-CD 3.5Å; E17-R20 WeakPolarHBondContact OE2-CD 3.43Å; E17-R20 IonicContact OE2-CZ 3.77Å; E17-R20 IonicContact OE2-NE 2.66Å; E17-R20 IonicContact OE2-NH1 2.71Å; E17-R20 PolarHBondContact OE2-NH1 3.26Å; S18-R20 PolarHBondContact O-N 3.34Å; S18-R20 VanDerWaalsContact O-N 3.15Å; R20-R58 PolarHBondContact O-NH1 2.85Å
21Q69.1Low71.8Confident127 Ų127103.3 Ų103.359%0.59353%0.525SS*.SBendtrans-95.7-178.7179.7-72.6177.949.900111.9E17 S18E17-Q21 WeakPolarHBondContact O-CG 3.43Å; E17-Q21 PolarHBondContact O-NE2 3.45Å; S18-Q21 PolarHBondContact O-N 3.47Å
22R65.9Low70.5Confident149 Ų149100.5 Ų100.556%0.56253%0.534SS*.PPolyproline II helixtrans-59122.1-175.9-77.7-178.5159.3147.10.7110.8C48 E51R22-C48 HydrophobicContact CG-CB 4.41Å; R22-C48 PolarHBondContact NE-O 3.39Å; R22-C48 PolarHBondContact NH2-O 2.85Å; R22-E51 IonicContact CZ-OE1 2.67Å; R22-E51 IonicContact NH1-OE1 3.72Å; R22-E51 PolarHBondContact NH1-OE1 2.98Å; R22-E51 VanDerWaalsContact NH1-OE1 3.13Å; R22-E51 IonicContact NH2-OE1 3.57Å; R22-E51 PolarHBondContact NH2-OE1 2.98Å
23P67.2Low69.7Low41 Ų41112.7 Ų112.727%0.26658%0.579SS.*PPolyproline II helixtrans-67.6152.3177.729.4-36.3000111.5K25 Y44 I45 C48P23-K25 PolarHBondContact O-N 3.29Å; P23-Y44 HydrophobicContact CB-CE1 4.2Å; P23-Y44 HydrophobicContact CG-CD1 4.05Å; P23-Y44 HydrophobicContact CG-CE1 3.77Å; P23-I45 HydrophobicContact CB-CG1 4.46Å; P23-I45 HydrophobicContact CG-CB 4.46Å; P23-I45 HydrophobicContact CG-CG1 3.76Å; P23-C48 HydrophobicContact CG-CB 4.45Å
24A61.7Low69.3Low87 Ų87111.5 Ų111.572%0.71957%0.572SS**PPolyproline II helixtrans-65.7129175.600000111.1R26A24-R26 PolarHBondContact O-N 3.4Å
25K58.4Low69.1Low152 Ų152105.9 Ų105.966%0.66156%0.557SS**  trans-64.497.1-179.1-61.3-161.6-176.2-142.40111.6P23 E49P23-K25 PolarHBondContact O-N 3.29Å; K25-E49 WeakPolarHBondContact CD-OE1 3.49Å; K25-E49 WeakPolarHBondContact CE-OE1 3.04Å; K25-E49 IonicContact NZ-OE1 3.13Å; K25-E49 PolarHBondContact NZ-OE1 3.5Å; K25-E49 IonicContact NZ-OE2 2.7Å; K25-E49 PolarHBondContact NZ-OE2 2.85Å
26R58Low69.2Low206 Ų206103.6 Ų103.678%0.77755%0.546SS*.PPolyproline II helixtrans-78.5141.3167.8-66.8-174.6177.5-173.1-0.4109.7A24 I28A24-R26 PolarHBondContact O-N 3.4Å; R26-I28 PolarHBondContact O-N 2.89Å
27R55.6Low69.2Low249 Ų249108.5 Ų108.594%0.9456%0.564SS**PPolyproline II helixtrans-66.3129.6172-68.3-171.3-179.7-165.61.2109.3
28I53.4Low69.5Low101 Ų101109 Ų10952%0.51857%0.566SS.*PPolyproline II helixtrans-87.5117.7-176.8-56.5170.1000109R26 S30R26-I28 PolarHBondContact O-N 2.89Å; I28-S30 PolarHBondContact O-N 2.92Å
29S52.8Low69.9Low116 Ų116109.4 Ų109.481%0.81156%0.562SS**  trans-81.790.4170-67.20000110.3G31S29-G31 PolarHBondContact O-N 3.05Å
30S57Low70.6Confident103 Ų103107.4 Ų107.472%0.7254%0.541SS*.  trans-80.392.7176.955.90000111.6I28I28-S30 PolarHBondContact O-N 2.92Å
31G56Low71.5Confident83 Ų83106.5 Ų106.586%0.85654%0.542SS*.  trans-154.6-4.5178.200000117.6S29S29-G31 PolarHBondContact O-N 3.05Å
32G65.9Low72.4Confident60 Ų60102.1 Ų102.162%0.61952%0.521SS*.SBendtrans-137.7169.5-175.800000114.1K34G32-K34 PolarHBondContact O-N 3.3Å
33R74.3Confident73.5Confident259 Ų25995.3 Ų95.398%0.97750%0.496SS*.  trans-65.6111.4170.8-73.2-176.9177.1176.80.4109.3
34K83.5Confident74.5Confident77 Ų7795.7 Ų95.734%0.33549%0.493SS..  trans-71.1134.6-178.1-56.2178.7176.9172.70111.3G32 Q38 K39 E42G32-K34 PolarHBondContact O-N 3.3Å; K34-Q38 HydrophobicContact CB-CB 4.3Å; K34-Q38 HydrophobicContact CB-CG 4.11Å; K34-Q38 HydrophobicContact CG-CG 4.34Å; K34-K39 HydrophobicContact CB-CG 3.79Å; K34-K39 VanDerWaalsContact O-CE 3.23Å; K34-K39 WeakPolarHBondContact O-CE 3.32Å; K34-E42 VanDerWaalsContact CD-OE2 3.27Å; K34-E42 WeakPolarHBondContact CD-OE2 3.37Å; K34-E42 WeakPolarHBondContact CE-OE1 3.35Å; K34-E42 WeakPolarHBondContact CE-OE2 3.34Å; K34-E42 IonicContact NZ-OE1 2.74Å; K34-E42 IonicContact NZ-OE2 3.48Å; K34-E42 PolarHBondContact NZ-OE2 3.33Å
35S87.1Confident75.7Confident49 Ų4992.7 Ų92.734%0.34346%0.464SS..  trans-69.2163.3173.668.70000111.9Y37 Q38 K39S35-Y37 VanDerWaalsContact C-N 3.3Å; S35-Y37 PolarHBondContact O-N 2.93Å; S35-Q38 PolarHBondContact O-N 3.03Å; S35-Q38 VanDerWaalsContact O-N 3.14Å; S35-Q38 WeakPolarHBondContact OG-CB 3.44Å; S35-Q38 PolarHBondContact OG-N 3.39Å; S35-K39 WeakPolarHBondContact O-CG 3.41Å; S35-K39 PolarHBondContact O-N 3.1Å
36L88.8Confident77Confident12 Ų1289.7 Ų89.76%0.06345%0.453CS..Hα-helixtrans-52.3-49.8176.1175.864000111.4Q38 K39 L40 L67 H140 I145 L168L36-Q38 PolarHBondContact O-N 3.23Å; L36-K39 PolarHBondContact O-N 2.7Å; L36-L40 HydrophobicContact CD1-CD1 4.06Å; L36-L40 HydrophobicContact CD1-CG 4.31Å; L36-L40 HydrophobicContact CG-CD1 3.98Å; L36-L40 WeakPolarHBondContact O-CG 3.49Å; L36-L40 PolarHBondContact O-N 3.44Å; L36-L67 HydrophobicContact CD1-CD2 3.55Å; L36-H140 HydrophobicContact CB-CB 4.29Å; L36-H140 HydrophobicContact CD2-CB 3.89Å; L36-H140 HydrophobicContact CG-CB 4.46Å; L36-I145 HydrophobicContact CD1-CD1 4.17Å; L36-L168 HydrophobicContact CD2-CD1 3.67Å; L36-L168 HydrophobicContact CD2-CD2 3.99Å
37Y88.6Confident78.3Confident114 Ų11480.7 Ų80.745%0.44742%0.419SS..Hα-helixtrans-63.2-38.6179.4-58.9-73.9000112.7S35 H41 C141 C143S35-Y37 VanDerWaalsContact C-N 3.3Å; S35-Y37 PolarHBondContact O-N 2.93Å; Y37-H41 VanDerWaalsContact O-CB 3.28Å; Y37-H41 WeakPolarHBondContact O-CB 3.02Å; Y37-H41 PolarHBondContact O-N 3.11Å; Y37-C141 HydrophobicContact CD2-CB 4.4Å; Y37-C141 HydrophobicContact CE2-CB 4.03Å; Y37-C143 PolarHBondContact OH-SG 3.39Å
38Q89.3Confident79.5Confident74 Ų7469.4 Ų69.435%0.34638%0.379SS..Hα-helixtrans-63.4-44.9174.9-179.7177.3-0.100111.4K34 S35 L36 H41 E42K34-Q38 HydrophobicContact CB-CB 4.3Å; K34-Q38 HydrophobicContact CB-CG 4.11Å; K34-Q38 HydrophobicContact CG-CG 4.34Å; S35-Q38 PolarHBondContact O-N 3.03Å; S35-Q38 VanDerWaalsContact O-N 3.14Å; S35-Q38 WeakPolarHBondContact OG-CB 3.44Å; S35-Q38 PolarHBondContact OG-N 3.39Å; L36-Q38 PolarHBondContact O-N 3.23Å; Q38-H41 PolarHBondContact O-N 3.44Å; Q38-E42 HydrophobicContact CG-CG 4.37Å; Q38-E42 WeakPolarHBondContact CG-OE1 3.43Å; Q38-E42 PolarHBondContact NE2-OE1 3.1Å; Q38-E42 WeakPolarHBondContact O-CG 3.05Å; Q38-E42 PolarHBondContact O-N 2.78Å
39K90.1Very high80.8Confident55 Ų5569 Ų6924%0.23937%0.374CS..Hα-helixtrans-62.1-45.8178-65-178.3-171.7-153.40111.9K34 S35 L36 H41 E42 L43 L67 E71K34-K39 HydrophobicContact CB-CG 3.79Å; K34-K39 VanDerWaalsContact O-CE 3.23Å; K34-K39 WeakPolarHBondContact O-CE 3.32Å; S35-K39 WeakPolarHBondContact O-CG 3.41Å; S35-K39 PolarHBondContact O-N 3.1Å; L36-K39 PolarHBondContact O-N 2.7Å; K39-H41 VanDerWaalsContact C-N 3.31Å; K39-H41 PolarHBondContact O-N 2.85Å; K39-E42 PolarHBondContact O-N 2.87Å; K39-L43 VanDerWaalsContact O-CB 3.24Å; K39-L43 WeakPolarHBondContact O-CB 3.2Å; K39-L43 PolarHBondContact O-N 2.84Å; K39-L67 HydrophobicContact CB-CD1 4.04Å; K39-L67 HydrophobicContact CB-CD2 4.44Å; K39-L67 HydrophobicContact CD-CD1 4.16Å; K39-E71 WeakPolarHBondContact CD-OE2 3Å; K39-E71 IonicContact NZ-OE1 2.81Å; K39-E71 PolarHBondContact NZ-OE1 3.47Å; K39-E71 IonicContact NZ-OE2 3.39Å; K39-E71 PolarHBondContact NZ-OE2 3.26Å
40L90.3Very high82.1Confident29 Ų2967.1 Ų67.115%0.15235%0.351CS..Hα-helixtrans-62-38.1176.4-68.7170.8000112L36 Y44 L63 L64 L67L36-L40 HydrophobicContact CD1-CD1 4.06Å; L36-L40 HydrophobicContact CD1-CG 4.31Å; L36-L40 HydrophobicContact CG-CD1 3.98Å; L36-L40 WeakPolarHBondContact O-CG 3.49Å; L36-L40 PolarHBondContact O-N 3.44Å; L40-Y44 WeakPolarHBondContact O-CB 3.32Å; L40-Y44 PolarHBondContact O-N 2.68Å; L40-L63 HydrophobicContact CD2-CB 3.86Å; L40-L64 HydrophobicContact CD2-CD1 4.42Å; L40-L67 HydrophobicContact CD2-CB 4.3Å; L40-L67 HydrophobicContact CD2-CD2 3.85Å; L40-L67 HydrophobicContact CG-CD2 4.13Å
41H87.7Confident82.6Confident94 Ų9468.4 Ų68.444%0.43535%0.346SS..Hα-helixtrans-72-39.7177.3176.8-88.3000113.2Y37 Q38 K39 Y44 I45Y37-H41 VanDerWaalsContact O-CB 3.28Å; Y37-H41 WeakPolarHBondContact O-CB 3.02Å; Y37-H41 PolarHBondContact O-N 3.11Å; Q38-H41 PolarHBondContact O-N 3.44Å; K39-H41 VanDerWaalsContact C-N 3.31Å; K39-H41 PolarHBondContact O-N 2.85Å; H41-Y44 WeakPolarHBondContact O-CB 3.19Å; H41-Y44 PolarHBondContact O-N 2.78Å; H41-I45 VanDerWaalsContact CE1-CD1 3.5Å; H41-I45 WeakPolarHBondContact CE1-CD1 3.37Å; H41-I45 WeakPolarHBondContact O-CG1 3.31Å; H41-I45 PolarHBondContact O-N 3.25Å; H41-I45 VanDerWaalsContact O-N 3.1Å
42E88.7Confident83.2Confident35 Ų3566.6 Ų66.616%0.16432%0.319CS..Hα-helixtrans-65.7-43.6173.7-72.3176.5-167.800111.3K34 Q38 K39 Y44 I45 E46K34-E42 VanDerWaalsContact CD-OE2 3.27Å; K34-E42 WeakPolarHBondContact CD-OE2 3.37Å; K34-E42 WeakPolarHBondContact CE-OE1 3.35Å; K34-E42 WeakPolarHBondContact CE-OE2 3.34Å; K34-E42 IonicContact NZ-OE1 2.74Å; K34-E42 IonicContact NZ-OE2 3.48Å; K34-E42 PolarHBondContact NZ-OE2 3.33Å; Q38-E42 HydrophobicContact CG-CG 4.37Å; Q38-E42 WeakPolarHBondContact CG-OE1 3.43Å; Q38-E42 PolarHBondContact NE2-OE1 3.1Å; Q38-E42 WeakPolarHBondContact O-CG 3.05Å; Q38-E42 PolarHBondContact O-N 2.78Å; K39-E42 PolarHBondContact O-N 2.87Å; E42-Y44 VanDerWaalsContact C-N 3.31Å; E42-Y44 PolarHBondContact O-N 2.9Å; E42-I45 PolarHBondContact O-N 2.02Å; E42-I45 VanDerWaalsContact O-N 3.16Å; E42-E46 PolarHBondContact O-N 2.8Å
43L89Confident83.2Confident6 Ų671.5 Ų71.53%0.03133%0.326CS..Hα-helixtrans-63.9-33.9174.1-174.860.8000112.3K39 E46 E47 L63 K66 L67K39-L43 VanDerWaalsContact O-CB 3.24Å; K39-L43 WeakPolarHBondContact O-CB 3.2Å; K39-L43 PolarHBondContact O-N 2.84Å; L43-E46 PolarHBondContact O-N 3.07Å; L43-E47 HydrophobicContact CD1-CG 4.19Å; L43-E47 HydrophobicContact CG-CG 4.47Å; L43-E47 WeakPolarHBondContact O-CB 3.46Å; L43-E47 VanDerWaalsContact O-CG 3.31Å; L43-E47 WeakPolarHBondContact O-CG 3.47Å; L43-E47 PolarHBondContact O-N 2.87Å; L43-L63 WeakPolarHBondContact CD2-O 3.34Å; L43-L63 HydrophobicContact CG-CD2 4.36Å; L43-K66 HydrophobicContact CD2-CB 3.89Å; L43-L67 HydrophobicContact CD2-CB 4.23Å
44Y88.1Confident82.9Confident49 Ų4964.5 Ų64.519%0.19231%0.308CS..Hα-helixtrans-61.6-44.7171177.4-102.2000112.1A19 P23 L40 H41 E42 C48 N60 L63A19-Y44 PolarHBondContact O-OH 2.94Å; P23-Y44 HydrophobicContact CB-CE1 4.2Å; P23-Y44 HydrophobicContact CG-CD1 4.05Å; P23-Y44 HydrophobicContact CG-CE1 3.77Å; L40-Y44 WeakPolarHBondContact O-CB 3.32Å; L40-Y44 PolarHBondContact O-N 2.68Å; H41-Y44 WeakPolarHBondContact O-CB 3.19Å; H41-Y44 PolarHBondContact O-N 2.78Å; E42-Y44 VanDerWaalsContact C-N 3.31Å; E42-Y44 PolarHBondContact O-N 2.9Å; Y44-C48 WeakPolarHBondContact O-CB 3.29Å; Y44-C48 PolarHBondContact O-N 3.4Å; Y44-C48 PolarHBondContact O-SG 3.11Å; Y44-N60 HydrophobicContact CD2-CB 3.81Å; Y44-N60 HydrophobicContact CE2-CB 3.74Å; Y44-N60 WeakPolarHBondContact CE2-ND2 3.48Å; Y44-N60 PolarHBondContact OH-ND2 3.04Å; Y44-L63 HydrophobicContact CD2-CD1 4.07Å; Y44-L63 HydrophobicContact CG-CD1 4.43Å
45I85.8Confident82Confident24 Ų2470.6 Ų70.612%0.12333%0.334CS..Hα-helixtrans-62.9-49.1175.4-66.8168000109.9P23 H41 E42 E47 C48 E49P23-I45 HydrophobicContact CB-CG1 4.46Å; P23-I45 HydrophobicContact CG-CB 4.46Å; P23-I45 HydrophobicContact CG-CG1 3.76Å; H41-I45 VanDerWaalsContact CE1-CD1 3.5Å; H41-I45 WeakPolarHBondContact CE1-CD1 3.37Å; H41-I45 WeakPolarHBondContact O-CG1 3.31Å; H41-I45 PolarHBondContact O-N 3.25Å; H41-I45 VanDerWaalsContact O-N 3.1Å; E42-I45 PolarHBondContact O-N 2.02Å; E42-I45 VanDerWaalsContact O-N 3.16Å; I45-E47 PolarHBondContact O-N 2.97Å; I45-C48 WeakPolarHBondContact O-CB 3.23Å; I45-C48 PolarHBondContact O-N 3.08Å; I45-E49 PolarHBondContact O-N 2.89Å
46E86.5Confident80.9Confident89 Ų8975.9 Ų75.942%0.41636%0.359SS..Hα-helixtrans-57.8-46.4-179.1-160-160.413600112.1E42 L43 C48 E49 K50E42-E46 PolarHBondContact O-N 2.8Å; L43-E46 PolarHBondContact O-N 3.07Å; E46-C48 VanDerWaalsContact C-N 3.29Å; E46-C48 PolarHBondContact O-N 3.15Å; E46-E49 PolarHBondContact O-N 3.35Å; E46-K50 WeakPolarHBondContact O-CG 3.36Å; E46-K50 PolarHBondContact O-N 3.47Å; E46-K50 WeakPolarHBondContact OE1-CE 3.44Å; E46-K50 IonicContact OE1-NZ 2.81Å; E46-K50 PolarHBondContact OE1-NZ 2.68Å
47E85.9Confident80Confident16 Ų1680.6 Ų80.68%0.07538%0.383CS..Hα-helixtrans-72.1-18.7177.2-67.1-66.3118.700113.5L43 I45 K50 R59 N60 K66L43-E47 HydrophobicContact CD1-CG 4.19Å; L43-E47 HydrophobicContact CG-CG 4.47Å; L43-E47 WeakPolarHBondContact O-CB 3.46Å; L43-E47 VanDerWaalsContact O-CG 3.31Å; L43-E47 WeakPolarHBondContact O-CG 3.47Å; L43-E47 PolarHBondContact O-N 2.87Å; I45-E47 PolarHBondContact O-N 2.97Å; E47-K50 WeakPolarHBondContact OE1-CD 3.22Å; E47-K50 WeakPolarHBondContact OE1-CE 3.45Å; E47-K50 IonicContact OE1-NZ 2.87Å; E47-K50 PolarHBondContact OE1-NZ 2.81Å; E47-R59 HydrophobicContact CB-CB 4.49Å; E47-N60 HydrophobicContact CB-CB 4.33Å; E47-K66 HydrophobicContact CG-CD 4.29Å; E47-K66 IonicContact OE2-NZ 3.59Å; E47-K66 PolarHBondContact OE2-NZ 3.15Å
48C80.8Confident79.1Confident13 Ų1381.3 Ų81.39%0.08839%0.385CS..Hα-helixtrans-77.2-23.4170-74.90000113.1R22 P23 Y44 I45 E46 N60R22-C48 HydrophobicContact CG-CB 4.41Å; R22-C48 PolarHBondContact NE-O 3.39Å; R22-C48 PolarHBondContact NH2-O 2.85Å; P23-C48 HydrophobicContact CG-CB 4.45Å; Y44-C48 WeakPolarHBondContact O-CB 3.29Å; Y44-C48 PolarHBondContact O-N 3.4Å; Y44-C48 PolarHBondContact O-SG 3.11Å; I45-C48 WeakPolarHBondContact O-CB 3.23Å; I45-C48 PolarHBondContact O-N 3.08Å; E46-C48 VanDerWaalsContact C-N 3.29Å; E46-C48 PolarHBondContact O-N 3.15Å; C48-N60 PolarHBondContact SG-ND2 3.09Å
49E80.6Confident78.5Confident92 Ų9280.5 Ų80.543%0.4338%0.379SS..Hα-helixtrans-82.4-24.6177.5-63.4-162.2-174.900112.8K25 I45 E46 E51K25-E49 WeakPolarHBondContact CD-OE1 3.49Å; K25-E49 WeakPolarHBondContact CE-OE1 3.04Å; K25-E49 IonicContact NZ-OE1 3.13Å; K25-E49 PolarHBondContact NZ-OE1 3.5Å; K25-E49 IonicContact NZ-OE2 2.7Å; K25-E49 PolarHBondContact NZ-OE2 2.85Å; I45-E49 PolarHBondContact O-N 2.89Å; E46-E49 PolarHBondContact O-N 3.35Å; E49-E51 PolarHBondContact O-N 2.81Å
50K80.2Confident77.9Confident76 Ų7679.1 Ų79.133%0.3337%0.374SS..SBendtrans-79.6114.6-178.3-61.7171.2-168.2174.10112.2E46 E47 R59E46-K50 WeakPolarHBondContact O-CG 3.36Å; E46-K50 PolarHBondContact O-N 3.47Å; E46-K50 WeakPolarHBondContact OE1-CE 3.44Å; E46-K50 IonicContact OE1-NZ 2.81Å; E46-K50 PolarHBondContact OE1-NZ 2.68Å; E47-K50 WeakPolarHBondContact OE1-CD 3.22Å; E47-K50 WeakPolarHBondContact OE1-CE 3.45Å; E47-K50 IonicContact OE1-NZ 2.87Å; E47-K50 PolarHBondContact OE1-NZ 2.81Å; K50-R59 VanDerWaalsContact C-NH1 3.32Å; K50-R59 VanDerWaalsContact CB-NH1 3.33Å; K50-R59 PolarHBondContact O-NH1 2.92Å
51E67.9Low77.6Confident131 Ų13181.3 Ų81.361%0.61239%0.388SS*.  trans-60125.9175.2-70.7-60142.600112R22 E49 R59R22-E51 IonicContact CZ-OE1 2.67Å; R22-E51 IonicContact NH1-OE1 3.72Å; R22-E51 PolarHBondContact NH1-OE1 2.98Å; R22-E51 VanDerWaalsContact NH1-OE1 3.13Å; R22-E51 IonicContact NH2-OE1 3.57Å; R22-E51 PolarHBondContact NH2-OE1 2.98Å; E49-E51 PolarHBondContact O-N 2.81Å; E51-R59 VanDerWaalsContact O-CZ 3.26Å; E51-R59 PolarHBondContact O-NH1 2.78Å; E51-R59 PolarHBondContact O-NH2 2.87Å
52P68.9Low77.5Confident45 Ų4581.7 Ų81.729%0.29239%0.394SS..  trans-73.3139.9-170.429.8-35.6000113.2L54 L57P52-L54 PolarHBondContact O-N 2.54Å; P52-L57 WeakPolarHBondContact CB-O 3.16Å
53E65.1Low77.5Confident163 Ų16381.8 Ų81.876%0.76240%0.395SS*.SBendtrans-57.2-33.1177-73.2133.5-100.600112.9R59E53-R59 IonicContact OE1-CZ 3.48Å; E53-R59 IonicContact OE1-NE 2.68Å; E53-R59 PolarHBondContact OE1-NE 2.92Å; E53-R59 IonicContact OE1-NH2 3.53Å; E53-R59 PolarHBondContact OE1-NH2 2.78Å
54L68.6Low77.6Confident112 Ų11282.5 Ų82.559%0.58640%0.399SS*.SBendtrans-123125.1174.4-65.1176.4000109P52 N56 L57P52-L54 PolarHBondContact O-N 2.54Å; L54-N56 PolarHBondContact O-N 2.9Å; L54-L57 HydrophobicContact CB-CB 4.48Å; L54-L57 HydrophobicContact CB-CD1 4.17Å; L54-L57 HydrophobicContact CB-CG 4.16Å; L54-L57 HydrophobicContact CD1-CD1 3.9Å; L54-L57 PolarHBondContact O-N 2.89Å
55K64.9Low77.7Confident204 Ų20483.6 Ų83.689%0.88741%0.406SS*.THydrogen-bonded Turntrans-55.6-18.4-171-63.3-179.3179.81780115.6
56N62.5Low77.9Confident161 Ų16185 Ų8586%0.86141%0.411SS*.THydrogen-bonded Turntrans-101.2-10.5-178.6-61.3-19.3000113.7L54L54-N56 PolarHBondContact O-N 2.9Å
57L69.8Low78Confident111 Ų11181 Ų8158%0.58139%0.392SS*.  trans-95.7127.8-179.9-64.8-175.4000110.8P52 L54P52-L57 WeakPolarHBondContact CB-O 3.16Å; L54-L57 HydrophobicContact CB-CB 4.48Å; L54-L57 HydrophobicContact CB-CD1 4.17Å; L54-L57 HydrophobicContact CB-CG 4.16Å; L54-L57 HydrophobicContact CD1-CD1 3.9Å; L54-L57 PolarHBondContact O-N 2.89Å
58R70.6Confident78.1Confident128 Ų12880.8 Ų80.848%0.48339%0.392SS..  trans-89.9125.4175.3-62.9-170.7-178.2-167.62.9109.8E17 R20 N60 V61E17-R58 IonicContact OE1-CZ 2.71Å; E17-R58 IonicContact OE1-NH1 3.86Å; E17-R58 IonicContact OE1-NH2 3.45Å; E17-R58 PolarHBondContact OE1-NH2 2.95Å; R20-R58 PolarHBondContact O-NH1 2.85Å; R58-N60 WeakPolarHBondContact CB-OD1 3.33Å; R58-V61 HydrophobicContact CB-CG1 4.49Å; R58-V61 WeakPolarHBondContact O-CG2 3.47Å
59R76.2Confident78.3Confident57 Ų5784.8 Ų84.822%0.21542%0.421CS..SBendtrans-78.8-22.1178.1-75.1-136.6-157.377-2.4114.2E47 K50 E51 E53 V61 K66E47-R59 HydrophobicContact CB-CB 4.49Å; K50-R59 VanDerWaalsContact C-NH1 3.32Å; K50-R59 VanDerWaalsContact CB-NH1 3.33Å; K50-R59 PolarHBondContact O-NH1 2.92Å; E51-R59 VanDerWaalsContact O-CZ 3.26Å; E51-R59 PolarHBondContact O-NH1 2.78Å; E51-R59 PolarHBondContact O-NH2 2.87Å; E53-R59 IonicContact OE1-CZ 3.48Å; E53-R59 IonicContact OE1-NE 2.68Å; E53-R59 PolarHBondContact OE1-NE 2.92Å; E53-R59 IonicContact OE1-NH2 3.53Å; E53-R59 PolarHBondContact OE1-NH2 2.78Å; R59-V61 PolarHBondContact O-N 3.02Å; R59-K66 PolarHBondContact O-NZ 2.72Å
60N78.2Confident78.5Confident27 Ų2785.7 Ų85.714%0.14443%0.425CS..SBendtrans-74.933.6-179.366.4-20.2000114.5Y44 E47 C48 R58Y44-N60 HydrophobicContact CD2-CB 3.81Å; Y44-N60 HydrophobicContact CE2-CB 3.74Å; Y44-N60 WeakPolarHBondContact CE2-ND2 3.48Å; Y44-N60 PolarHBondContact OH-ND2 3.04Å; E47-N60 HydrophobicContact CB-CB 4.33Å; C48-N60 PolarHBondContact SG-ND2 3.09Å; R58-N60 WeakPolarHBondContact CB-OD1 3.33Å
61V83Confident78.7Confident74 Ų7485.7 Ų85.745%0.44843%0.426SS..SBendtrans-117.9167.6175.7-54.90000110.6R58 R59 L63R58-V61 HydrophobicContact CB-CG1 4.49Å; R58-V61 WeakPolarHBondContact O-CG2 3.47Å; R59-V61 PolarHBondContact O-N 3.02Å; V61-L63 PolarHBondContact O-N 3.27Å; V61-L63 VanDerWaalsContact O-N 3.15Å
62N85.9Confident79.1Confident103 Ų10382.6 Ų82.655%0.55142%0.419SS*.  trans51.135.2179.9-64.518.7000114.1L64 E65 K66N62-L64 PolarHBondContact O-N 3.31Å; N62-L64 VanDerWaalsContact O-N 3.08Å; N62-E65 HydrophobicContact CB-CB 4.19Å; N62-E65 WeakPolarHBondContact CB-OE2 3.17Å; N62-E65 PolarHBondContact ND2-OE2 3.33Å; N62-E65 WeakPolarHBondContact O-CB 3.05Å; N62-E65 PolarHBondContact O-N 3.33Å; N62-K66 PolarHBondContact O-N 2.98Å; N62-K66 VanDerWaalsContact O-N 3.15Å
63L90Very high79.8Confident36 Ų3681.1 Ų81.119%0.18841%0.409CS..Hα-helixtrans-54.1-33.6-176.6-55.6173.6000113L40 L43 Y44 V61 K66 L67L40-L63 HydrophobicContact CD2-CB 3.86Å; L43-L63 WeakPolarHBondContact CD2-O 3.34Å; L43-L63 HydrophobicContact CG-CD2 4.36Å; Y44-L63 HydrophobicContact CD2-CD1 4.07Å; Y44-L63 HydrophobicContact CG-CD1 4.43Å; V61-L63 PolarHBondContact O-N 3.27Å; V61-L63 VanDerWaalsContact O-N 3.15Å; L63-K66 PolarHBondContact O-N 3.47Å; L63-L67 WeakPolarHBondContact O-CB 3.32Å; L63-L67 PolarHBondContact O-N 2.91Å
64L90.7Very high80.9Confident22 Ų2273.8 Ų73.812%0.11538%0.375CS..Hα-helixtrans-70-39.3179.2-169.760.6000112.8L40 N62 K66 L67 V68 I145 H166 I167 L168L40-L64 HydrophobicContact CD2-CD1 4.42Å; N62-L64 PolarHBondContact O-N 3.31Å; N62-L64 VanDerWaalsContact O-N 3.08Å; L64-K66 VanDerWaalsContact C-N 3.35Å; L64-L67 PolarHBondContact O-N 2.95Å; L64-V68 VanDerWaalsContact O-CG2 3.29Å; L64-V68 WeakPolarHBondContact O-CG2 3.37Å; L64-V68 PolarHBondContact O-N 3.45Å; L64-I145 HydrophobicContact CD1-CD1 3.9Å; L64-I145 HydrophobicContact CD1-CG1 4.05Å; L64-I145 HydrophobicContact CD1-CG2 4.16Å; L64-I145 HydrophobicContact CD2-CG2 4.28Å; L64-I145 HydrophobicContact CG-CG2 4.26Å; L64-H166 HydrophobicContact CB-CB 4.23Å; L64-H166 HydrophobicContact CD2-CB 3.97Å; L64-H166 HydrophobicContact CG-CB 3.95Å; L64-I167 WeakPolarHBondContact CD2-O 3.5Å; L64-L168 HydrophobicContact CD2-CB 4.13Å
65E89.8Confident82Confident72 Ų7268.4 Ų68.434%0.33635%0.347SS..Hα-helixtrans-65.1-40.6174.4-179.7-178.7-170.200110.9N62 S69 H166N62-E65 HydrophobicContact CB-CB 4.19Å; N62-E65 WeakPolarHBondContact CB-OE2 3.17Å; N62-E65 PolarHBondContact ND2-OE2 3.33Å; N62-E65 WeakPolarHBondContact O-CB 3.05Å; N62-E65 PolarHBondContact O-N 3.33Å; E65-S69 WeakPolarHBondContact O-CB 3.41Å; E65-S69 PolarHBondContact O-N 3.01Å; E65-S69 PolarHBondContact O-OG 3.39Å; E65-H166 HydrophobicContact CB-CB 4.49Å
66K89.4Confident83.3Confident54 Ų5459 Ų5924%0.23531%0.307CS..Hα-helixtrans-65-45174.1-67.6179.8178.6-176.50111.8L43 E47 R59 N62 L63 L64 S69 Q70L43-K66 HydrophobicContact CD2-CB 3.89Å; E47-K66 HydrophobicContact CG-CD 4.29Å; E47-K66 IonicContact OE2-NZ 3.59Å; E47-K66 PolarHBondContact OE2-NZ 3.15Å; R59-K66 PolarHBondContact O-NZ 2.72Å; N62-K66 PolarHBondContact O-N 2.98Å; N62-K66 VanDerWaalsContact O-N 3.15Å; L63-K66 PolarHBondContact O-N 3.47Å; L64-K66 VanDerWaalsContact C-N 3.35Å; K66-S69 WeakPolarHBondContact O-CB 3.3Å; K66-S69 PolarHBondContact O-N 3.49Å; K66-Q70 WeakPolarHBondContact O-CB 3.37Å; K66-Q70 WeakPolarHBondContact O-CG 3.35Å; K66-Q70 PolarHBondContact O-N 2.9Å
67L89.9Confident84.8Confident4 Ų451.4 Ų51.42%0.02127%0.266CS..Hα-helixtrans-62.2-45.1177.3-178.365.9000112.2L36 K39 L40 L43 L63 L64 S69 Q70 E71 V73L36-L67 HydrophobicContact CD1-CD2 3.55Å; K39-L67 HydrophobicContact CB-CD1 4.04Å; K39-L67 HydrophobicContact CB-CD2 4.44Å; K39-L67 HydrophobicContact CD-CD1 4.16Å; L40-L67 HydrophobicContact CD2-CB 4.3Å; L40-L67 HydrophobicContact CD2-CD2 3.85Å; L40-L67 HydrophobicContact CG-CD2 4.13Å; L43-L67 HydrophobicContact CD2-CB 4.23Å; L63-L67 WeakPolarHBondContact O-CB 3.32Å; L63-L67 PolarHBondContact O-N 2.91Å; L64-L67 PolarHBondContact O-N 2.95Å; L67-S69 VanDerWaalsContact C-N 3.28Å; L67-S69 PolarHBondContact O-N 2.89Å; L67-Q70 PolarHBondContact O-N 3.2Å; L67-E71 HydrophobicContact CD1-CG 4.04Å; L67-E71 PolarHBondContact O-N 3.43Å; L67-V73 HydrophobicContact CG-CG2 4.28Å
68V88.1Confident85.9Confident12 Ų1246.1 Ų46.17%0.07324%0.238CC..Hα-helixtrans-60.6-39.5174.9170.70000110.9L64 S72 V73 I145L64-V68 VanDerWaalsContact O-CG2 3.29Å; L64-V68 WeakPolarHBondContact O-CG2 3.37Å; L64-V68 PolarHBondContact O-N 3.45Å; V68-S72 WeakPolarHBondContact O-CA 3.49Å; V68-S72 PolarHBondContact O-N 3.48Å; V68-S72 VanDerWaalsContact O-N 3.12Å; V68-V73 HydrophobicContact CG2-CB 4.28Å; V68-I145 HydrophobicContact CG2-CG2 3.99Å
69S85Confident87Confident97 Ų9740.1 Ų40.168%0.67822%0.216SC*.Hα-helixtrans-69.6-31.9177.5-56.60000113.7E65 K66 L67E65-S69 WeakPolarHBondContact O-CB 3.41Å; E65-S69 PolarHBondContact O-N 3.01Å; E65-S69 PolarHBondContact O-OG 3.39Å; K66-S69 WeakPolarHBondContact O-CB 3.3Å; K66-S69 PolarHBondContact O-N 3.49Å; L67-S69 VanDerWaalsContact C-N 3.28Å; L67-S69 PolarHBondContact O-N 2.89Å
70Q84.8Confident87.8Confident111 Ų11138.3 Ų38.352%0.51921%0.21SC..Hα-helixtrans-83-44.5179.6-75.2174.7-1900113.4K66 L67K66-Q70 WeakPolarHBondContact O-CB 3.37Å; K66-Q70 WeakPolarHBondContact O-CG 3.35Å; K66-Q70 PolarHBondContact O-N 2.9Å; L67-Q70 PolarHBondContact O-N 3.2Å
71E82.5Confident88.4Confident75 Ų7538 Ų3835%0.3521%0.207SC..Hα-helixtrans-108.14.3-169.8-67.8-162.3146.300114.9K39 L67 V73K39-E71 WeakPolarHBondContact CD-OE2 3Å; K39-E71 IonicContact NZ-OE1 2.81Å; K39-E71 PolarHBondContact NZ-OE1 3.47Å; K39-E71 IonicContact NZ-OE2 3.39Å; K39-E71 PolarHBondContact NZ-OE2 3.26Å; L67-E71 HydrophobicContact CD1-CG 4.04Å; L67-E71 PolarHBondContact O-N 3.43Å; E71-V73 VanDerWaalsContact C-N 3.27Å; E71-V73 HydrophobicContact CB-CG2 3.69Å; E71-V73 PolarHBondContact O-N 2.93Å
72S77.9Confident88.6Confident67 Ų6737.1 Ų37.147%0.46920%0.203SC..  trans51.242.6-177.476.90000113.6V68 K94V68-S72 WeakPolarHBondContact O-CA 3.49Å; V68-S72 PolarHBondContact O-N 3.48Å; V68-S72 VanDerWaalsContact O-N 3.12Å; S72-K94 WeakPolarHBondContact CB-O 3.25Å; S72-K94 WeakPolarHBondContact O-CA 3.46Å; S72-K94 WeakPolarHBondContact O-CG 3.35Å; S72-K94 VanDerWaalsContact O-O 3.12Å; S72-K94 PolarHBondContact OG-O 3.27Å
73V84Confident88.3Confident14 Ų1433.5 Ų33.59%0.08519%0.19CC..  trans-64.8141.3-168.4-166.90000112.3L67 V68 E71 H140 I145L67-V73 HydrophobicContact CG-CG2 4.28Å; V68-V73 HydrophobicContact CG2-CB 4.28Å; E71-V73 VanDerWaalsContact C-N 3.27Å; E71-V73 HydrophobicContact CB-CG2 3.69Å; E71-V73 PolarHBondContact O-N 2.93Å; V73-H140 WeakPolarHBondContact CG1-CE1 3.43Å; V73-H140 WeakPolarHBondContact CG1-NE2 3.43Å; V73-I145 HydrophobicContact CB-CD1 4.43Å; V73-I145 HydrophobicContact CG1-CD1 3.67Å
74S87.9Confident87.8Confident8 Ų836 Ų366%0.05620%0.203CC..  trans-65.8133.6174.738.90000111.8R92 N137 H140S74-R92 VanDerWaalsContact CA-O 3.29Å; S74-R92 WeakPolarHBondContact CA-O 3.42Å; S74-N137 WeakPolarHBondContact CB-O 3.44Å; S74-N137 PolarHBondContact OG-O 2.85Å; S74-H140 PolarHBondContact O-NE2 3.49Å; S74-H140 PolarHBondContact OG-CE1 3.27Å; S74-H140 PolarHBondContact OG-NE2 3.25Å
75C91.1Very high87.6Confident0 Ų039.5 Ų39.50%022%0.219CC..EExtended strand (participates in β ladder)trans-148.6162.2-176.366.60000113R92 I138 I145C75-R92 PolarHBondContact N-O 2.76Å; C75-R92 WeakPolarHBondContact O-CB 3.14Å; C75-R92 PolarHBondContact O-N 2.76Å; C75-I138 VanDerWaalsContact C-CD1 3.49Å; C75-I145 CarbonylContact C-O 3.59Å; C75-I145 VanDerWaalsContact CA-O 3.23Å; C75-I145 WeakPolarHBondContact CA-O 3.47Å; C75-I145 HydrophobicContact CB-CB 4.1Å; C75-I145 HydrophobicContact CB-CG2 3.84Å; C75-I145 VanDerWaalsContact CB-O 3.23Å; C75-I145 WeakPolarHBondContact CB-O 3.47Å
76L92.7Very high87.6Confident7 Ų736.1 Ų36.14%0.03720%0.203CC..EExtended strand (participates in β ladder)trans-93.1122.2172.5173.666000107.6L89 L91 L127 I138 V144 I145 V146 E147L76-L89 HydrophobicContact CD1-CB 4.29Å; L76-L89 HydrophobicContact CD1-CD2 4.21Å; L76-L89 HydrophobicContact CD2-CD2 4.37Å; L76-L89 HydrophobicContact CG-CD2 4.35Å; L76-L91 HydrophobicContact CD1-CD2 3.84Å; L76-L127 HydrophobicContact CD2-CD1 4.16Å; L76-I138 HydrophobicContact CB-CD1 3.87Å; L76-V144 HydrophobicContact CB-CG1 4.18Å; L76-I145 PolarHBondContact N-O 2.9Å; L76-V146 HydrophobicContact CB-CG2 4.26Å; L76-V146 HydrophobicContact CD2-CG2 4.38Å; L76-V146 CarbonylContact O-C 3.56Å; L76-V146 WeakPolarHBondContact O-CA 3.21Å; L76-V146 WeakPolarHBondContact O-CG1 3.38Å; L76-E147 PolarHBondContact O-N 3.35Å
77V92.6Very high87.7Confident0 Ų033.7 Ų33.70%019%0.193CC..EExtended strand (participates in β ladder)trans-91.7132176.8-173.90000109.1N79 L89 M90 R92 E147 R149V77-N79 WeakPolarHBondContact CG1-OD1 3.48Å; V77-L89 WeakPolarHBondContact O-CA 3.48Å; V77-M90 HydrophobicContact CB-CB 4.31Å; V77-M90 HydrophobicContact CB-CE 3.85Å; V77-M90 HydrophobicContact CG1-CE 4.15Å; V77-M90 HydrophobicContact CG2-CE 3.6Å; V77-M90 PolarHBondContact N-O 3.35Å; V77-M90 PolarHBondContact O-N 2.96Å; V77-R92 HydrophobicContact CG2-CB 3.96Å; V77-E147 CarbonylContact C-O 3.55Å; V77-E147 WeakPolarHBondContact CA-O 3.33Å; V77-E147 HydrophobicContact CG2-CB 4.3Å; V77-R149 HydrophobicContact CG1-CG 3.97Å
78V94.2Very high87.9Confident0 Ų033.5 Ų33.50%019%0.192CC..EExtended strand (participates in β ladder)trans-114.6107.2173.1-178.40000107.8L80 S88 L89 L118 V146 E147 V148 R149V78-L80 HydrophobicContact CG1-CD2 3.9Å; V78-S88 WeakPolarHBondContact CA-O 3.36Å; V78-L89 HydrophobicContact CB-CD2 4.32Å; V78-L89 HydrophobicContact CG1-CD2 4.43Å; V78-L89 HydrophobicContact CG2-CD2 3.65Å; V78-L118 HydrophobicContact CB-CD1 4.47Å; V78-L118 HydrophobicContact CG1-CD1 3.99Å; V78-L118 HydrophobicContact CG2-CD1 3.96Å; V78-V146 HydrophobicContact CB-CG1 4.45Å; V78-V146 HydrophobicContact CG2-CG1 3.56Å; V78-E147 PolarHBondContact N-O 3.1Å; V78-V148 HydrophobicContact CB-CG2 4.42Å; V78-V148 WeakPolarHBondContact O-CA 3.35Å; V78-R149 PolarHBondContact O-N 2.91Å
79N93.1Very high88.1Confident3 Ų333.7 Ų33.72%0.01619%0.192CC..EExtended strand (participates in β ladder)trans-88.8128.1177.6-56.4-47.3000109.7V77 Y81 Y87 S88 Y151V77-N79 WeakPolarHBondContact CG1-OD1 3.48Å; N79-Y81 HydrophobicContact CB-CD2 4.48Å; N79-Y81 HydrophobicContact CB-CE1 4.38Å; N79-Y81 HydrophobicContact CB-CE2 3.59Å; N79-Y81 VanDerWaalsContact CB-OH 3.26Å; N79-Y81 WeakPolarHBondContact CB-OH 3.23Å; N79-Y81 PolarHBondContact ND2-OH 2.82Å; N79-Y87 CarbonylContact O-C 3.55Å; N79-Y87 WeakPolarHBondContact O-CA 3.25Å; N79-Y87 WeakPolarHBondContact O-CB 3.24Å; N79-S88 PolarHBondContact N-O 2.65Å; N79-S88 PolarHBondContact ND2-OG 2.79Å; N79-S88 VanDerWaalsContact ND2-OG 3.14Å; N79-S88 PolarHBondContact O-N 3.41Å; N79-Y151 HydrophobicContact CB-CD2 4.32Å; N79-Y151 HydrophobicContact CB-CE2 3.87Å
80L92.5Very high88.3Confident18 Ų1829.9 Ų29.99%0.09416%0.164CC..EExtended strand (participates in β ladder)trans-109.9112.1176.2-51.8179.6000109.7V78 Y109 L115 V148 R149 Y151V78-L80 HydrophobicContact CG1-CD2 3.9Å; L80-Y109 HydrophobicContact CD2-CE1 4.49Å; L80-L115 HydrophobicContact CD2-CD2 4.5Å; L80-V148 HydrophobicContact CD1-CG1 3.75Å; L80-V148 HydrophobicContact CG-CG1 4.16Å; L80-R149 PolarHBondContact N-O 3.05Å; L80-Y151 WeakPolarHBondContact O-CB 3.3Å; L80-Y151 PolarHBondContact O-N 3.01Å
81Y90.8Very high88.5Confident21 Ų2126 Ų268%0.08215%0.146CC..  trans-93.2153.7-173.1-64.6-75.3000113.5N79 E85 G86 S88 E103 R106 Y109 Y151 R152N79-Y81 HydrophobicContact CB-CD2 4.48Å; N79-Y81 HydrophobicContact CB-CE1 4.38Å; N79-Y81 HydrophobicContact CB-CE2 3.59Å; N79-Y81 VanDerWaalsContact CB-OH 3.26Å; N79-Y81 WeakPolarHBondContact CB-OH 3.23Å; N79-Y81 PolarHBondContact ND2-OH 2.82Å; Y81-E85 HydrophobicContact CG-CB 4.4Å; Y81-G86 PolarHBondContact N-O 2.74Å; Y81-S88 WeakPolarHBondContact CE2-OG 3.29Å; Y81-S88 PolarHBondContact OH-OG 2.99Å; Y81-E103 PolarHBondContact OH-OE1 2.97Å; Y81-R106 HydrophobicContact CD2-CG 4.27Å; Y81-R106 VanDerWaalsContact CE1-NH2 3.3Å; Y81-R106 HydrophobicContact CE2-CG 4.14Å; Y81-Y109 PolarHBondContact N-OH 2.76Å; Y81-Y109 VanDerWaalsContact N-OH 3.14Å; Y81-Y109 PolarHBondContact O-OH 3.39Å; Y81-Y151 HydrophobicContact CD1-CD2 4.49Å; Y81-Y151 HydrophobicContact CE1-CD2 4.27Å; Y81-R152 WeakPolarHBondContact O-CG 3.24Å
82P86.9Confident88.7Confident56 Ų5626.4 Ų26.436%0.36415%0.145SC..SBendtrans-62.3163.4175.126.9-35.9000113.6N84 E85P82-N84 PolarHBondContact O-N 2.91Å; P82-E85 WeakPolarHBondContact O-CB 3.44Å; P82-E85 WeakPolarHBondContact O-CG 3.32Å; P82-E85 PolarHBondContact O-N 3.01Å
83G80.1Confident88.8Confident26 Ų2624 Ų2427%0.26813%0.131SC..THydrogen-bonded Turntrans67.6-132174.600000113.5
84N80.2Confident88.1Confident88 Ų8829.3 Ų29.347%0.47115%0.153SC..THydrogen-bonded Turntrans-104.413172.5-78.2-5000111.7P82 G86 N250P82-N84 PolarHBondContact O-N 2.91Å; N84-G86 PolarHBondContact O-N 3.06Å; N84-N250 PolarHBondContact ND2-ND2 2.95Å; N84-N250 PolarHBondContact OD1-ND2 3.36Å
85E85.3Confident86.8Confident97 Ų9735.5 Ų35.545%0.45319%0.185SC..  trans-66.7-9-176-69.2178.7-15200114Y81 P82 R106Y81-E85 HydrophobicContact CG-CB 4.4Å; P82-E85 WeakPolarHBondContact O-CB 3.44Å; P82-E85 WeakPolarHBondContact O-CG 3.32Å; P82-E85 PolarHBondContact O-N 3.01Å; E85-R106 WeakPolarHBondContact O-CB 3.39Å; E85-R106 WeakPolarHBondContact O-CD 3.47Å; E85-R106 IonicContact OE2-CZ 3.38Å; E85-R106 IonicContact OE2-NH1 3.94Å; E85-R106 PolarHBondContact OE2-NH1 2.92Å; E85-R106 IonicContact OE2-NH2 2.82Å
86G89.9Confident85.2Confident0 Ų038.2 Ų38.20%021%0.214CC..  trans77.1-149.1173.200000113.6Y81 N84 L107 Y109Y81-G86 PolarHBondContact N-O 2.74Å; N84-G86 PolarHBondContact O-N 3.06Å; G86-L107 CarbonylContact C-O 3.55Å; G86-L107 WeakPolarHBondContact CA-O 3.39Å; G86-Y109 VanDerWaalsContact O-CZ 3.23Å; G86-Y109 PolarHBondContact O-OH 3.38Å; G86-Y109 VanDerWaalsContact O-OH 3.09Å
87Y92.9Very high83.1Confident4 Ų441.4 Ų41.42%0.01624%0.236CC..EExtended strand (participates in β ladder)trans-134.8156.1178.965.6-92.8000111.8N79 R106 L107 Y109 E111 L114 L115N79-Y87 CarbonylContact O-C 3.55Å; N79-Y87 WeakPolarHBondContact O-CA 3.25Å; N79-Y87 WeakPolarHBondContact O-CB 3.24Å; Y87-R106 CarbonylContact O-C 3.54Å; Y87-R106 VanDerWaalsContact O-CA 3.27Å; Y87-R106 WeakPolarHBondContact O-CA 3.32Å; Y87-L107 WeakPolarHBondContact CD1-O 3.46Å; Y87-L107 HydrophobicContact CD2-CB 4.39Å; Y87-L107 HydrophobicContact CE1-CB 4.02Å; Y87-L107 HydrophobicContact CE2-CB 3.8Å; Y87-L107 HydrophobicContact CE2-CD1 3.82Å; Y87-L107 HydrophobicContact CE2-CG 4.26Å; Y87-L107 PolarHBondContact N-O 3.11Å; Y87-L107 PolarHBondContact O-N 3.09Å; Y87-Y109 HydrophobicContact CD1-CD1 4.17Å; Y87-Y109 HydrophobicContact CD1-CE1 4.35Å; Y87-E111 WeakPolarHBondContact CE1-O 3.2Å; Y87-E111 PolarHBondContact OH-O 3.41Å; Y87-E111 VanDerWaalsContact OH-O 3.06Å; Y87-L114 HydrophobicContact CD2-CD2 4.31Å; Y87-L114 HydrophobicContact CE2-CD2 3.57Å; Y87-L115 HydrophobicContact CD1-CD1 4.04Å; Y87-L115 HydrophobicContact CD1-CD2 4.06Å; Y87-L115 HydrophobicContact CD1-CG 4.3Å; Y87-L115 HydrophobicContact CE1-CD1 3.95Å; Y87-L115 HydrophobicContact CE1-CD2 4.16Å; Y87-L115 HydrophobicContact CE1-CG 4.01Å; Y87-L115 HydrophobicContact CG-CD2 4.3Å
88S92.9Very high81.1Confident0 Ų044 Ų440%026%0.264CS..EExtended strand (participates in β ladder)trans-132.4162.7173.365.80000112.2V78 N79 Y81 E103V78-S88 WeakPolarHBondContact CA-O 3.36Å; N79-S88 PolarHBondContact N-O 2.65Å; N79-S88 PolarHBondContact ND2-OG 2.79Å; N79-S88 VanDerWaalsContact ND2-OG 3.14Å; N79-S88 PolarHBondContact O-N 3.41Å; Y81-S88 WeakPolarHBondContact CE2-OG 3.29Å; Y81-S88 PolarHBondContact OH-OG 2.99Å; S88-E103 VanDerWaalsContact CB-OE1 3.28Å; S88-E103 WeakPolarHBondContact CB-OE1 3.35Å; S88-E103 VanDerWaalsContact OG-CG 3.26Å; S88-E103 WeakPolarHBondContact OG-CG 3.34Å; S88-E103 PolarHBondContact OG-OE1 2.81Å
89L92.3Very high78.7Confident15 Ų1553.3 Ų53.38%0.07930%0.304CS..EExtended strand (participates in β ladder)trans-112.7145.4176.8-65.5-178.6000110.9L76 V77 V78 E103 T104 L114 L127L76-L89 HydrophobicContact CD1-CB 4.29Å; L76-L89 HydrophobicContact CD1-CD2 4.21Å; L76-L89 HydrophobicContact CD2-CD2 4.37Å; L76-L89 HydrophobicContact CG-CD2 4.35Å; V77-L89 WeakPolarHBondContact O-CA 3.48Å; V78-L89 HydrophobicContact CB-CD2 4.32Å; V78-L89 HydrophobicContact CG1-CD2 4.43Å; V78-L89 HydrophobicContact CG2-CD2 3.65Å; L89-E103 CarbonylContact O-C 3.59Å; L89-E103 WeakPolarHBondContact O-CA 3.25Å; L89-T104 HydrophobicContact CB-CG2 3.87Å; L89-T104 PolarHBondContact N-OG1 2.93Å; L89-T104 PolarHBondContact O-N 2.62Å; L89-L114 HydrophobicContact CD1-CD2 4Å; L89-L114 HydrophobicContact CD2-CD2 4.04Å; L89-L114 HydrophobicContact CG-CD2 4.3Å; L89-L127 HydrophobicContact CD1-CD2 4.36Å
90M90.1Very high76.8Confident18 Ų1855.7 Ų55.79%0.08932%0.319CS..EExtended strand (participates in β ladder)trans-149.2136.9174.5179.4-167.966.800110.3V77 N101V77-M90 HydrophobicContact CB-CB 4.31Å; V77-M90 HydrophobicContact CB-CE 3.85Å; V77-M90 HydrophobicContact CG1-CE 4.15Å; V77-M90 HydrophobicContact CG2-CE 3.6Å; V77-M90 PolarHBondContact N-O 3.35Å; V77-M90 PolarHBondContact O-N 2.96Å; M90-N101 HydrophobicContact CG-CB 4.29Å; M90-N101 HydrophobicContact SD-CB 3.69Å
91L89.4Confident75.2Confident28 Ų2858.2 Ų58.215%0.14733%0.332CS..EExtended strand (participates in β ladder)trans-86.3126.2176.2-64.6175.7000111.5L76 L131 I138L76-L91 HydrophobicContact CD1-CD2 3.84Å; L91-L131 HydrophobicContact CD2-CD2 3.54Å; L91-I138 HydrophobicContact CD2-CD1 3.68Å
92R86.1Confident74.2Confident85 Ų8560 Ų6032%0.32135%0.348SS..EExtended strand (participates in β ladder)trans-102.7105.5177.3-168.8177.1-173.8175.3-4.1110.4S74 C75 V77 E147S74-R92 VanDerWaalsContact CA-O 3.29Å; S74-R92 WeakPolarHBondContact CA-O 3.42Å; C75-R92 PolarHBondContact N-O 2.76Å; C75-R92 WeakPolarHBondContact O-CB 3.14Å; C75-R92 PolarHBondContact O-N 2.76Å; V77-R92 HydrophobicContact CG2-CB 3.96Å; R92-E147 IonicContact CZ-OE2 2.97Å; R92-E147 IonicContact NH1-OE1 3.83Å; R92-E147 IonicContact NH1-OE2 3.67Å; R92-E147 PolarHBondContact NH1-OE2 2.82Å
93G79.3Confident74.1Confident17 Ų1761.1 Ų61.118%0.17535%0.348CS..  trans-70.1150.1173.800000113.1N95 G96G93-N95 PolarHBondContact O-N 3.48Å; G93-G96 PolarHBondContact O-N 3.24Å; G93-G96 VanDerWaalsContact O-N 3.17Å
94K70.8Confident74.3Confident124 Ų12460.8 Ų60.854%0.53934%0.341SS..THydrogen-bonded Turntrans-52.1-29-176.1178.8167.3-174.4174.40115S72S72-K94 WeakPolarHBondContact CB-O 3.25Å; S72-K94 WeakPolarHBondContact O-CA 3.46Å; S72-K94 WeakPolarHBondContact O-CG 3.35Å; S72-K94 VanDerWaalsContact O-O 3.12Å; S72-K94 PolarHBondContact OG-O 3.27Å
95N60.4Low74.6Confident138 Ų13859.6 Ų59.674%0.73833%0.334SS*.THydrogen-bonded Turntrans-87.6-4.2-171.6-61.56000113.5G93 S97G93-N95 PolarHBondContact O-N 3.48Å; N95-S97 PolarHBondContact O-N 3.19Å
96G57Low74.8Confident58 Ų5860.3 Ų60.360%0.59833%0.333SS*.  trans66.2-10.6-179.500000116.1G93 G98G93-G96 PolarHBondContact O-N 3.24Å; G93-G96 VanDerWaalsContact O-N 3.17Å; G96-G98 PolarHBondContact O-N 3.16Å
97S49.2Very low74.8Confident73 Ų7360.9 Ų60.951%0.5134%0.335SS..  trans-65.1117.817653.80000110.9N95 K99N95-S97 PolarHBondContact O-N 3.19Å; S97-K99 PolarHBondContact O-N 2.9Å
98G49.3Very low74.6Confident56 Ų5663 Ų6358%0.57735%0.35SS*.THydrogen-bonded Turntrans-69.328.7-173.500000117.1G96G96-G98 PolarHBondContact O-N 3.16Å
99K44.7Very low74.3Confident194 Ų19464.8 Ų64.884%0.84336%0.357SS*.THydrogen-bonded Turntrans-85.1-11.1177.9-83.1-164.3169.9-1680114.7S97S97-K99 PolarHBondContact O-N 2.9Å
100T52.2Low74Confident53 Ų5367.4 Ų67.433%0.32537%0.369SS..SBendtrans-12219.1174.863.20000112.3S102T100-S102 PolarHBondContact O-N 2.89Å
101N60.3Low73.8Confident72 Ų7268.8 Ų68.839%0.38538%0.375SS..  trans-80.951.4-179.4-71.415.4000111M90 E103M90-N101 HydrophobicContact CG-CB 4.29Å; M90-N101 HydrophobicContact SD-CB 3.69Å; N101-E103 PolarHBondContact O-N 3.25Å; N101-E103 VanDerWaalsContact O-N 3.12Å
102S69.2Low73.6Confident58 Ų5871.5 Ų71.541%0.40638%0.383SS..  trans-72.2106173.3-62.50000108.2T100T100-S102 PolarHBondContact O-N 2.89Å
103E83.6Confident73.8Confident80 Ų8073.9 Ų73.937%0.37440%0.398SS..BIsolated β-bridgetrans-79132.8169.8-165.2-174.114000109Y81 S88 L89 N101Y81-E103 PolarHBondContact OH-OE1 2.97Å; S88-E103 VanDerWaalsContact CB-OE1 3.28Å; S88-E103 WeakPolarHBondContact CB-OE1 3.35Å; S88-E103 VanDerWaalsContact OG-CG 3.26Å; S88-E103 WeakPolarHBondContact OG-CG 3.34Å; S88-E103 PolarHBondContact OG-OE1 2.81Å; L89-E103 CarbonylContact O-C 3.59Å; L89-E103 WeakPolarHBondContact O-CA 3.25Å; N101-E103 PolarHBondContact O-N 3.25Å; N101-E103 VanDerWaalsContact O-N 3.12Å
104T84.9Confident74.4Confident18 Ų1874 Ų7411%0.1140%0.395CS..PPolyproline II helixtrans-66.6164.317364.50000110.9L89 L790 M794L89-T104 HydrophobicContact CB-CG2 3.87Å; L89-T104 PolarHBondContact N-OG1 2.93Å; L89-T104 PolarHBondContact O-N 2.62Å; T104-L790 HydrophobicContact CG2-CD1 4.42Å; T104-M794 HydrophobicContact CG2-SD 4.08Å
105I86Confident75.4Confident64 Ų6469.8 Ų69.833%0.32838%0.377SS..PPolyproline II helixtrans-51.7151.1157.953.5173.2000110.9L107 F789 L790I105-L107 HydrophobicContact CG1-CD2 4.41Å; I105-F789 HydrophobicContact CD1-CD1 4.43Å; I105-F789 HydrophobicContact CD1-CE1 4.31Å; I105-L790 HydrophobicContact CD1-CD1 4.15Å; I105-L790 HydrophobicContact CG1-CD1 3.69Å
106R91Very high76.8Confident112 Ų11267.3 Ų67.342%0.42336%0.361SS..PPolyproline II helixtrans-76.8126.1176.9-64.5175.6179.1-168.9-5.9109.8Y81 E85 Y87Y81-R106 HydrophobicContact CD2-CG 4.27Å; Y81-R106 VanDerWaalsContact CE1-NH2 3.3Å; Y81-R106 HydrophobicContact CE2-CG 4.14Å; E85-R106 WeakPolarHBondContact O-CB 3.39Å; E85-R106 WeakPolarHBondContact O-CD 3.47Å; E85-R106 IonicContact OE2-CZ 3.38Å; E85-R106 IonicContact OE2-NH1 3.94Å; E85-R106 PolarHBondContact OE2-NH1 2.92Å; E85-R106 IonicContact OE2-NH2 2.82Å; Y87-R106 CarbonylContact O-C 3.54Å; Y87-R106 VanDerWaalsContact O-CA 3.27Å; Y87-R106 WeakPolarHBondContact O-CA 3.32Å
107L89.6Confident78.6Confident11 Ų1167.7 Ų67.76%0.05835%0.345CS..BIsolated β-bridgetrans-95135.9176.8-57.7-179000109.4G86 Y87 I105 L790G86-L107 CarbonylContact C-O 3.55Å; G86-L107 WeakPolarHBondContact CA-O 3.39Å; Y87-L107 WeakPolarHBondContact CD1-O 3.46Å; Y87-L107 HydrophobicContact CD2-CB 4.39Å; Y87-L107 HydrophobicContact CE1-CB 4.02Å; Y87-L107 HydrophobicContact CE2-CB 3.8Å; Y87-L107 HydrophobicContact CE2-CD1 3.82Å; Y87-L107 HydrophobicContact CE2-CG 4.26Å; Y87-L107 PolarHBondContact N-O 3.11Å; Y87-L107 PolarHBondContact O-N 3.09Å; I105-L107 HydrophobicContact CG1-CD2 4.41Å; L107-L790 HydrophobicContact CD1-CD2 4.02Å; L107-L790 HydrophobicContact CD2-CD2 4.46Å
108P88.8Confident80.6Confident50 Ų5065 Ų6533%0.32533%0.326SS..PPolyproline II helixtrans-67.9152.1-177.129.6-36.2000111.8E110 E111P108-E110 HydrophobicContact CB-CB 4.16Å; P108-E110 HydrophobicContact CG-CB 4.17Å; P108-E110 PolarHBondContact O-N 2.75Å; P108-E111 WeakPolarHBondContact CD-OE1 3.23Å; P108-E111 HydrophobicContact CG-CG 4.17Å; P108-E111 WeakPolarHBondContact O-CB 3.48Å; P108-E111 PolarHBondContact O-N 3.31Å
109Y86.8Confident82.6Confident37 Ų3766.9 Ų66.915%0.14532%0.322CS..THydrogen-bonded Turntrans-63.9-10.5178.3-71.6-59.8000114.3L80 Y81 G86 Y87 E111 R112 L115L80-Y109 HydrophobicContact CD2-CE1 4.49Å; Y81-Y109 PolarHBondContact N-OH 2.76Å; Y81-Y109 VanDerWaalsContact N-OH 3.14Å; Y81-Y109 PolarHBondContact O-OH 3.39Å; G86-Y109 VanDerWaalsContact O-CZ 3.23Å; G86-Y109 PolarHBondContact O-OH 3.38Å; G86-Y109 VanDerWaalsContact O-OH 3.09Å; Y87-Y109 HydrophobicContact CD1-CD1 4.17Å; Y87-Y109 HydrophobicContact CD1-CE1 4.35Å; Y109-E111 VanDerWaalsContact C-N 3.33Å; Y109-R112 VanDerWaalsContact O-CG 3.27Å; Y109-R112 WeakPolarHBondContact O-CG 3.48Å; Y109-L115 HydrophobicContact CD1-CD1 4.14Å
110E84.7Confident84.8Confident70 Ų7059 Ų5933%0.32729%0.293SS..THydrogen-bonded Turntrans-52.3-44.9161.5-86.255.6-145.800113.5P108 R112 R251P108-E110 HydrophobicContact CB-CB 4.16Å; P108-E110 HydrophobicContact CG-CB 4.17Å; P108-E110 PolarHBondContact O-N 2.75Å; E110-R112 PolarHBondContact O-N 3.08Å; E110-R112 PolarHBondContact O-NH1 3.5Å; E110-R251 IonicContact OE1-CZ 2.81Å; E110-R251 VanDerWaalsContact OE1-CZ 3.24Å; E110-R251 IonicContact OE1-NE 2.72Å; E110-R251 PolarHBondContact OE1-NE 3.16Å; E110-R251 IonicContact OE1-NH2 3.24Å; E110-R251 PolarHBondContact OE1-NH2 2.92Å
111E86.9Confident86.8Confident47 Ų4759 Ų5922%0.2229%0.289CS..  trans-76.886.4178.6-69.9177.8-145.800108.9Y87 P108 Y109Y87-E111 WeakPolarHBondContact CE1-O 3.2Å; Y87-E111 PolarHBondContact OH-O 3.41Å; Y87-E111 VanDerWaalsContact OH-O 3.06Å; P108-E111 WeakPolarHBondContact CD-OE1 3.23Å; P108-E111 HydrophobicContact CG-CG 4.17Å; P108-E111 WeakPolarHBondContact O-CB 3.48Å; P108-E111 PolarHBondContact O-N 3.31Å; Y109-E111 VanDerWaalsContact C-N 3.33Å
112R85.8Confident88.4Confident85 Ų8559.7 Ų59.732%0.32129%0.29SS..  trans-95.4-6.4-176.5-60.7-179.8-43.4-56.9-23.2114.2Y109 E110 L114 L115 E116 K242Y109-R112 VanDerWaalsContact O-CG 3.27Å; Y109-R112 WeakPolarHBondContact O-CG 3.48Å; E110-R112 PolarHBondContact O-N 3.08Å; E110-R112 PolarHBondContact O-NH1 3.5Å; R112-L114 VanDerWaalsContact C-N 3.34Å; R112-L114 PolarHBondContact O-N 3.05Å; R112-L115 CarbonylContact O-C 3.52Å; R112-L115 PolarHBondContact O-N 3.47Å; R112-E116 HydrophobicContact CB-CG 4.09Å; R112-E116 VanDerWaalsContact CB-OE1 3.24Å; R112-E116 WeakPolarHBondContact CB-OE1 3.28Å; R112-E116 IonicContact CZ-OE1 3.69Å; R112-E116 IonicContact NE-OE1 2.7Å; R112-E116 PolarHBondContact NE-OE1 3.29Å; R112-E116 IonicContact NH2-OE1 2.62Å; R112-E116 PolarHBondContact NH2-OE1 3.02Å; R112-E116 VanDerWaalsContact NH2-OE1 3.16Å; R112-E116 WeakPolarHBondContact O-CB 3.44Å; R112-E116 WeakPolarHBondContact O-CG 3.13Å; R112-E116 PolarHBondContact O-N 3.42Å; R112-K242 VanDerWaalsContact CZ-NZ 3.33Å
113E90.3Very high89.6Confident134 Ų13457 Ų5763%0.62627%0.271SS*.Hα-helixtrans-56.4-49.3-174.2-67176.4-170.300111L115 E116 Y117E113-L115 PolarHBondContact O-N 3.42Å; E113-E116 PolarHBondContact O-N 3.42Å; E113-Y117 WeakPolarHBondContact O-CD2 3.33Å; E113-Y117 PolarHBondContact O-N 3.04Å
114L91.6Very high90.1Very high21 Ų2153.3 Ų53.311%0.1125%0.254CS..Hα-helixtrans-58.6-48.2172.2-179.864.1000112.4Y87 L89 R112 E116 Y117 L118 P124 L127Y87-L114 HydrophobicContact CD2-CD2 4.31Å; Y87-L114 HydrophobicContact CE2-CD2 3.57Å; L89-L114 HydrophobicContact CD1-CD2 4Å; L89-L114 HydrophobicContact CD2-CD2 4.04Å; L89-L114 HydrophobicContact CG-CD2 4.3Å; R112-L114 VanDerWaalsContact C-N 3.34Å; R112-L114 PolarHBondContact O-N 3.05Å; L114-E116 VanDerWaalsContact C-N 3.28Å; L114-E116 PolarHBondContact O-N 2.75Å; L114-Y117 WeakPolarHBondContact O-CB 3.45Å; L114-Y117 PolarHBondContact O-N 2.82Å; L114-Y117 VanDerWaalsContact O-N 3.14Å; L114-L118 HydrophobicContact CG-CD1 4.49Å; L114-L118 HydrophobicContact CG-CG 4.45Å; L114-L118 WeakPolarHBondContact O-CG 3.33Å; L114-L118 PolarHBondContact O-N 3.46Å; L114-P124 HydrophobicContact CD1-CG 3.59Å; L114-L127 HydrophobicContact CD1-CD1 3.94Å
115L90.6Very high90.5Very high34 Ų3453.5 Ų53.518%0.17826%0.256CS..Hα-helixtrans-63.7-34.5-177.4-56179.8000112.1L80 Y87 Y109 R112 E113 L118 D119L80-L115 HydrophobicContact CD2-CD2 4.5Å; Y87-L115 HydrophobicContact CD1-CD1 4.04Å; Y87-L115 HydrophobicContact CD1-CD2 4.06Å; Y87-L115 HydrophobicContact CD1-CG 4.3Å; Y87-L115 HydrophobicContact CE1-CD1 3.95Å; Y87-L115 HydrophobicContact CE1-CD2 4.16Å; Y87-L115 HydrophobicContact CE1-CG 4.01Å; Y87-L115 HydrophobicContact CG-CD2 4.3Å; Y109-L115 HydrophobicContact CD1-CD1 4.14Å; R112-L115 CarbonylContact O-C 3.52Å; R112-L115 PolarHBondContact O-N 3.47Å; E113-L115 PolarHBondContact O-N 3.42Å; L115-L118 HydrophobicContact CD2-CD1 4.17Å; L115-L118 PolarHBondContact O-N 3.11Å; L115-D119 WeakPolarHBondContact O-CB 3.39Å; L115-D119 PolarHBondContact O-N 3.12Å
116E90.7Very high90.6Very high86 Ų8654.9 Ų54.940%0.40226%0.263SS..Hα-helixtrans-71.8-28.6177.1-70.3178.9-14400111.3R112 E113 L114 A120R112-E116 HydrophobicContact CB-CG 4.09Å; R112-E116 VanDerWaalsContact CB-OE1 3.24Å; R112-E116 WeakPolarHBondContact CB-OE1 3.28Å; R112-E116 IonicContact CZ-OE1 3.69Å; R112-E116 IonicContact NE-OE1 2.7Å; R112-E116 PolarHBondContact NE-OE1 3.29Å; R112-E116 IonicContact NH2-OE1 2.62Å; R112-E116 PolarHBondContact NH2-OE1 3.02Å; R112-E116 VanDerWaalsContact NH2-OE1 3.16Å; R112-E116 WeakPolarHBondContact O-CB 3.44Å; R112-E116 WeakPolarHBondContact O-CG 3.13Å; R112-E116 PolarHBondContact O-N 3.42Å; E113-E116 PolarHBondContact O-N 3.42Å; L114-E116 VanDerWaalsContact C-N 3.28Å; L114-E116 PolarHBondContact O-N 2.75Å; E116-A120 PolarHBondContact O-N 3.37Å
117Y93.7Very high90.6Very high66 Ų6650.5 Ų50.526%0.25925%0.247SC..Hα-helixtrans-72.8-41.3166.2-76.5-67.5000113.2E113 L114 D119 A120 E121 E122 P124E113-Y117 WeakPolarHBondContact O-CD2 3.33Å; E113-Y117 PolarHBondContact O-N 3.04Å; L114-Y117 WeakPolarHBondContact O-CB 3.45Å; L114-Y117 PolarHBondContact O-N 2.82Å; L114-Y117 VanDerWaalsContact O-N 3.14Å; Y117-D119 VanDerWaalsContact C-N 3.29Å; Y117-D119 PolarHBondContact O-N 3.41Å; Y117-A120 WeakPolarHBondContact O-CB 3.4Å; Y117-A120 PolarHBondContact O-N 2.89Å; Y117-E121 PolarHBondContact O-N 2.85Å; Y117-E121 VanDerWaalsContact O-N 3.15Å; Y117-E122 HydrophobicContact CD1-CB 4.02Å; Y117-E122 PolarHBondContact O-N 3.11Å; Y117-P124 HydrophobicContact CD2-CB 3.7Å; Y117-P124 HydrophobicContact CD2-CG 3.84Å; Y117-P124 HydrophobicContact CE2-CB 4.01Å; Y117-P124 HydrophobicContact CG-CB 4.14Å; Y117-P124 HydrophobicContact CG-CG 3.92Å
118L93Very high90.6Very high18 Ų1850.3 Ų50.39%0.09425%0.247CC..Hα-helixtrans-60.8-39.5174.8-61.5-178.5000111.3V78 L114 L115 A120 E121 V146 I167 L169V78-L118 HydrophobicContact CB-CD1 4.47Å; V78-L118 HydrophobicContact CG1-CD1 3.99Å; V78-L118 HydrophobicContact CG2-CD1 3.96Å; L114-L118 HydrophobicContact CG-CD1 4.49Å; L114-L118 HydrophobicContact CG-CG 4.45Å; L114-L118 WeakPolarHBondContact O-CG 3.33Å; L114-L118 PolarHBondContact O-N 3.46Å; L115-L118 HydrophobicContact CD2-CD1 4.17Å; L115-L118 PolarHBondContact O-N 3.11Å; L118-A120 PolarHBondContact O-N 3.01Å; L118-E121 PolarHBondContact O-N 2.99Å; L118-V146 HydrophobicContact CD2-CG1 4.43Å; L118-I167 HydrophobicContact CB-CD1 4.19Å; L118-I167 HydrophobicContact CD2-CD1 4.25Å; L118-L169 HydrophobicContact CD2-CD1 3.93Å; L118-L169 HydrophobicContact CD2-CD2 3.94Å; L118-L169 HydrophobicContact CD2-CG 4.48Å
119D90.3Very high90.6Very high95 Ų9551 Ų5151%0.50825%0.248SC..THydrogen-bonded Turntrans-65.2-19.1173.1-93.7-4.2000114L115 Y117 N233L115-D119 WeakPolarHBondContact O-CB 3.39Å; L115-D119 PolarHBondContact O-N 3.12Å; Y117-D119 VanDerWaalsContact C-N 3.29Å; Y117-D119 PolarHBondContact O-N 3.41Å; D119-N233 PolarHBondContact O-ND2 2.94Å
120A90.8Very high90.5Very high27 Ų2751.6 Ų51.622%0.22325%0.253CS..THydrogen-bonded Turntrans-92.3-23178.300000113.2E116 Y117 L118 E122 K229E116-A120 PolarHBondContact O-N 3.37Å; Y117-A120 WeakPolarHBondContact O-CB 3.4Å; Y117-A120 PolarHBondContact O-N 2.89Å; L118-A120 PolarHBondContact O-N 3.01Å; A120-E122 HydrophobicContact CB-CB 4.05Å; A120-E122 HydrophobicContact CB-CG 3.84Å; A120-K229 PolarHBondContact O-NZ 3.34Å
121E93.6Very high90.8Very high54 Ų5448.7 Ų48.725%0.25224%0.24SC..THydrogen-bonded Turntrans68.935.3-163.7-51.8171.9167.600113.1Y117 L118 R170 K229Y117-E121 PolarHBondContact O-N 2.85Å; Y117-E121 VanDerWaalsContact O-N 3.15Å; L118-E121 PolarHBondContact O-N 2.99Å; E121-R170 VanDerWaalsContact CB-NH1 3.32Å; E121-R170 PolarHBondContact O-N 3.27Å; E121-R170 IonicContact OE2-CZ 3.54Å; E121-R170 IonicContact OE2-NH1 3.29Å; E121-R170 PolarHBondContact OE2-NH1 3.43Å; E121-R170 IonicContact OE2-NH2 2.77Å; E121-R170 PolarHBondContact OE2-NH2 3.04Å; E121-K229 IonicContact OE2-NZ 2.63Å; E121-K229 PolarHBondContact OE2-NZ 2.85Å
122E95Very high90.8Very high86 Ų8652.6 Ų52.640%0.40226%0.258SS..BIsolated β-bridgetrans-115.4144.7-175.8-72.7174.7-158.100111.6Y117 A120 P124 T172Y117-E122 HydrophobicContact CD1-CB 4.02Å; Y117-E122 PolarHBondContact O-N 3.11Å; A120-E122 HydrophobicContact CB-CB 4.05Å; A120-E122 HydrophobicContact CB-CG 3.84Å; E122-P124 WeakPolarHBondContact O-CD 3.46Å; E122-T172 HydrophobicContact CB-CG2 3.73Å; E122-T172 HydrophobicContact CG-CG2 3.92Å
123L95Very high90.8Very high3 Ų354.8 Ų54.82%0.01627%0.27CS..  trans-82.3121.3178.7-176.565.2000110.5V128 L131 F139 V144 L169 R170 T175L123-V128 HydrophobicContact CD2-CG2 4.13Å; L123-V128 HydrophobicContact CG-CG2 4.44Å; L123-L131 HydrophobicContact CD1-CD1 4.42Å; L123-F139 HydrophobicContact CD2-CE1 4.21Å; L123-V144 HydrophobicContact CD1-CB 4.08Å; L123-V144 HydrophobicContact CD1-CG2 3.72Å; L123-V144 HydrophobicContact CD2-CG2 4.34Å; L123-L169 HydrophobicContact CB-CB 4.2Å; L123-L169 HydrophobicContact CD1-CB 4.36Å; L123-L169 HydrophobicContact CD1-CD1 4.24Å; L123-R170 VanDerWaalsContact CB-O 3.22Å; L123-R170 WeakPolarHBondContact CB-O 3.47Å; L123-R170 PolarHBondContact N-O 3.1Å; L123-T175 HydrophobicContact CB-CG2 4.13Å; L123-T175 HydrophobicContact CD2-CG2 4.13Å; L123-T175 HydrophobicContact CG-CG2 4.09Å; L123-T175 VanDerWaalsContact O-CG2 3.27Å; L123-T175 WeakPolarHBondContact O-CG2 3.49Å
124P94.1Very high90.4Very high2 Ų249.5 Ų49.51%0.01325%0.248CC..  trans-68.2128.8176.3-13.925.8000111.1L114 Y117 E122 I126 L127L114-P124 HydrophobicContact CD1-CG 3.59Å; Y117-P124 HydrophobicContact CD2-CB 3.7Å; Y117-P124 HydrophobicContact CD2-CG 3.84Å; Y117-P124 HydrophobicContact CE2-CB 4.01Å; Y117-P124 HydrophobicContact CG-CB 4.14Å; Y117-P124 HydrophobicContact CG-CG 3.92Å; E122-P124 WeakPolarHBondContact O-CD 3.46Å; P124-I126 HydrophobicContact CB-CG2 4.19Å; P124-I126 PolarHBondContact O-N 3.27Å; P124-L127 HydrophobicContact CB-CD1 4.48Å; P124-L127 HydrophobicContact CB-CG 4.26Å; P124-L127 HydrophobicContact CG-CD1 3.96Å; P124-L127 HydrophobicContact CG-CG 4.29Å; P124-L127 PolarHBondContact O-N 2.93Å
125P92.2Very high89.7Confident22 Ų2257.4 Ų57.414%0.14328%0.284CS..Hα-helixtrans-54.6-37.4178.4-28.435.9000114.1L127 V128 Q174 T175P125-L127 PolarHBondContact O-N 3.24Å; P125-L127 VanDerWaalsContact O-N 3.09Å; P125-V128 WeakPolarHBondContact O-CB 3.31Å; P125-V128 WeakPolarHBondContact O-CG2 3.16Å; P125-V128 PolarHBondContact O-N 2.83Å; P125-Q174 HydrophobicContact CG-CB 3.56Å; P125-T175 HydrophobicContact CG-CG2 4.18Å
126I88.9Confident89.2Confident92 Ų9256.7 Ų56.747%0.47228%0.281SS..Hα-helixtrans-63.1-16.6179.6-164.4161.7000114.5P124 L787P124-I126 HydrophobicContact CB-CG2 4.19Å; P124-I126 PolarHBondContact O-N 3.27Å; I126-L787 HydrophobicContact CD1-CB 4.03Å; I126-L787 HydrophobicContact CD1-CD1 3.91Å; I126-L787 HydrophobicContact CD1-CD2 4.12Å; I126-L787 HydrophobicContact CD1-CG 4.24Å
127L89.9Confident88.9Confident20 Ų2058.6 Ų58.611%0.10529%0.294CS..Hα-helixtrans-90.5-19.2175.1-63.3-173.6000113.3L76 L89 L114 P124 P125 L130 L131L76-L127 HydrophobicContact CD2-CD1 4.16Å; L89-L127 HydrophobicContact CD1-CD2 4.36Å; L114-L127 HydrophobicContact CD1-CD1 3.94Å; P124-L127 HydrophobicContact CB-CD1 4.48Å; P124-L127 HydrophobicContact CB-CG 4.26Å; P124-L127 HydrophobicContact CG-CD1 3.96Å; P124-L127 HydrophobicContact CG-CG 4.29Å; P124-L127 PolarHBondContact O-N 2.93Å; P125-L127 PolarHBondContact O-N 3.24Å; P125-L127 VanDerWaalsContact O-N 3.09Å; L127-L130 HydrophobicContact CD2-CD1 4.34Å; L127-L130 PolarHBondContact O-N 2.94Å; L127-L130 VanDerWaalsContact O-N 3.1Å; L127-L131 HydrophobicContact CB-CD1 4.3Å; L127-L131 HydrophobicContact CB-CG 4.41Å; L127-L131 WeakPolarHBondContact O-CB 3.41Å; L127-L131 VanDerWaalsContact O-CG 3.26Å; L127-L131 WeakPolarHBondContact O-CG 3.45Å; L127-L131 PolarHBondContact O-N 3.07Å
128V90.8Very high88.7Confident7 Ų755.4 Ų55.44%0.04228%0.282CS..Hα-helixtrans-57.8-59.5-172.1178.60000110.9L123 P125 L130 L131 E132 T175 D179L123-V128 HydrophobicContact CD2-CG2 4.13Å; L123-V128 HydrophobicContact CG-CG2 4.44Å; P125-V128 WeakPolarHBondContact O-CB 3.31Å; P125-V128 WeakPolarHBondContact O-CG2 3.16Å; P125-V128 PolarHBondContact O-N 2.83Å; V128-L130 PolarHBondContact O-N 3.25Å; V128-L131 PolarHBondContact O-N 3.46Å; V128-L131 VanDerWaalsContact O-N 3.16Å; V128-E132 PolarHBondContact O-N 2.91Å; V128-T175 HydrophobicContact CG2-CG2 3.67Å; V128-D179 VanDerWaalsContact CG1-OD1 3.29Å; V128-D179 WeakPolarHBondContact CG1-OD1 3.35Å
129D87.1Confident88.6Confident66 Ų6657.6 Ų57.635%0.35329%0.291SS..Hα-helixtrans-45.9-44.4171.4-84.564.2000113.8K133D129-K133 VanDerWaalsContact O-CB 3.24Å; D129-K133 WeakPolarHBondContact O-CB 3.49Å; D129-K133 WeakPolarHBondContact O-CD 3.48Å; D129-K133 WeakPolarHBondContact O-CG 3.33Å; D129-K133 PolarHBondContact O-N 3.22Å; D129-K133 IonicContact OD2-NZ 2.66Å; D129-K133 PolarHBondContact OD2-NZ 2.67Å
130L86.3Confident88.6Confident48 Ų4855 Ų5525%0.25128%0.275SS..Hα-helixtrans-75.9-31.9-173.1-62.1177.1000112.1L127 V128 S134L127-L130 HydrophobicContact CD2-CD1 4.34Å; L127-L130 PolarHBondContact O-N 2.94Å; L127-L130 VanDerWaalsContact O-N 3.1Å; V128-L130 PolarHBondContact O-N 3.25Å; L130-S134 PolarHBondContact O-N 2.89Å
131L89.3Confident88.4Confident10 Ų1057 Ų575%0.05229%0.287CS..Hα-helixtrans-79.2-38.8176.2-65.8-178.8000111.4L91 L123 L127 V128 S134 I138 F139 V144L91-L131 HydrophobicContact CD2-CD2 3.54Å; L123-L131 HydrophobicContact CD1-CD1 4.42Å; L127-L131 HydrophobicContact CB-CD1 4.3Å; L127-L131 HydrophobicContact CB-CG 4.41Å; L127-L131 WeakPolarHBondContact O-CB 3.41Å; L127-L131 VanDerWaalsContact O-CG 3.26Å; L127-L131 WeakPolarHBondContact O-CG 3.45Å; L127-L131 PolarHBondContact O-N 3.07Å; V128-L131 PolarHBondContact O-N 3.46Å; V128-L131 VanDerWaalsContact O-N 3.16Å; L131-S134 VanDerWaalsContact O-CB 3.32Å; L131-S134 WeakPolarHBondContact O-CB 3.36Å; L131-S134 PolarHBondContact O-N 3.21Å; L131-S134 PolarHBondContact O-OG 2.8Å; L131-I138 HydrophobicContact CB-CG2 4.08Å; L131-I138 HydrophobicContact CD1-CG2 4.36Å; L131-I138 HydrophobicContact CD2-CD1 4.3Å; L131-I138 HydrophobicContact CD2-CG2 4.29Å; L131-I138 HydrophobicContact CG-CG2 4.47Å; L131-F139 HydrophobicContact CB-CE2 3.81Å; L131-F139 HydrophobicContact CB-CZ 3.62Å; L131-F139 HydrophobicContact CD1-CE1 4.5Å; L131-F139 HydrophobicContact CD1-CZ 4.24Å; L131-V144 HydrophobicContact CD1-CG1 4.37Å; L131-V144 HydrophobicContact CD1-CG2 3.88Å
132E87.5Confident88.1Confident129 Ų12956.2 Ų56.260%0.60329%0.293SS*.Hα-helixtrans-63.5-45.4173.5-173.9-172.1-142.400111.5V128 S134V128-E132 PolarHBondContact O-N 2.91Å; E132-S134 PolarHBondContact O-N 2.8Å; E132-S134 VanDerWaalsContact O-N 3.11Å
133K85.6Confident88Confident131 Ų13152.2 Ų52.257%0.5728%0.275SS*.THydrogen-bonded Turntrans-72.82.3176.8-65.5160.8-164.8167.20113.1D129D129-K133 VanDerWaalsContact O-CB 3.24Å; D129-K133 WeakPolarHBondContact O-CB 3.49Å; D129-K133 WeakPolarHBondContact O-CD 3.48Å; D129-K133 WeakPolarHBondContact O-CG 3.33Å; D129-K133 PolarHBondContact O-N 3.22Å; D129-K133 IonicContact OD2-NZ 2.66Å; D129-K133 PolarHBondContact OD2-NZ 2.67Å
134S81.9Confident87.9Confident23 Ų2352.1 Ų52.116%0.16127%0.274CS..SBendtrans-88.4148.1177.588.10000112.1L130 L131 E132 V136L130-S134 PolarHBondContact O-N 2.89Å; L131-S134 VanDerWaalsContact O-CB 3.32Å; L131-S134 WeakPolarHBondContact O-CB 3.36Å; L131-S134 PolarHBondContact O-N 3.21Å; L131-S134 PolarHBondContact O-OG 2.8Å; E132-S134 PolarHBondContact O-N 2.8Å; E132-S134 VanDerWaalsContact O-N 3.11Å; S134-V136 PolarHBondContact O-N 3.49Å; S134-V136 VanDerWaalsContact O-N 3.09Å; S134-V136 PolarHBondContact OG-N 3.24Å; S134-V136 PolarHBondContact OG-O 3.27Å
135Q76.4Confident87.9Confident187 Ų18752 Ų5287%0.87427%0.273SS*.SBendtrans-71.91177.3-61.8178.4100113.6
136V81.3Confident88Confident18 Ų1851 Ų5111%0.10927%0.267CS..SBendtrans-113.8107.6-175.1178.50000109.2S134 I138S134-V136 PolarHBondContact O-N 3.49Å; S134-V136 VanDerWaalsContact O-N 3.09Å; S134-V136 PolarHBondContact OG-N 3.24Å; S134-V136 PolarHBondContact OG-O 3.27Å; V136-I138 PolarHBondContact O-N 3.19Å
137N84.5Confident88.2Confident126 Ų12646.8 Ų46.867%0.67425%0.245SC*.  trans-64.1107.8169.4-172.9-6000109.8S74 F139S74-N137 WeakPolarHBondContact CB-O 3.44Å; S74-N137 PolarHBondContact OG-O 2.85Å; N137-F139 PolarHBondContact OD1-N 3.39Å
138I89.5Confident88.4Confident0 Ų047.1 Ų47.10%025%0.248CC..  trans-113.5-7.3-172.8-168166.5000112.5C75 L76 L91 L131 V136 H140 V144C75-I138 VanDerWaalsContact C-CD1 3.49Å; L76-I138 HydrophobicContact CB-CD1 3.87Å; L91-I138 HydrophobicContact CD2-CD1 3.68Å; L131-I138 HydrophobicContact CB-CG2 4.08Å; L131-I138 HydrophobicContact CD1-CG2 4.36Å; L131-I138 HydrophobicContact CD2-CD1 4.3Å; L131-I138 HydrophobicContact CD2-CG2 4.29Å; L131-I138 HydrophobicContact CG-CG2 4.47Å; V136-I138 PolarHBondContact O-N 3.19Å; I138-H140 PolarHBondContact O-CD2 2.95Å; I138-H140 PolarHBondContact O-NE2 2.76Å; I138-V144 HydrophobicContact CD1-CG1 4.23Å; I138-V144 HydrophobicContact CG1-CG1 4.22Å
139F90.8Very high88.5Confident64 Ų6447.9 Ų47.928%0.28125%0.25SS..EExtended strand (participates in β ladder)trans-89.2120.3-175.6-66.8-79.3000111L123 L131 N137 V144L123-F139 HydrophobicContact CD2-CE1 4.21Å; L131-F139 HydrophobicContact CB-CE2 3.81Å; L131-F139 HydrophobicContact CB-CZ 3.62Å; L131-F139 HydrophobicContact CD1-CE1 4.5Å; L131-F139 HydrophobicContact CD1-CZ 4.24Å; N137-F139 PolarHBondContact OD1-N 3.39Å; F139-V144 HydrophobicContact CD1-CG2 3.71Å; F139-V144 HydrophobicContact CE1-CG2 3.69Å
140H89.6Confident88.7Confident40 Ų4045.9 Ų45.919%0.18524%0.239CC..EExtended strand (participates in β ladder)trans-116.996.4-178.4-58-74.7000108.7L36 V73 S74 I138 C143 I145L36-H140 HydrophobicContact CB-CB 4.29Å; L36-H140 HydrophobicContact CD2-CB 3.89Å; L36-H140 HydrophobicContact CG-CB 4.46Å; V73-H140 WeakPolarHBondContact CG1-CE1 3.43Å; V73-H140 WeakPolarHBondContact CG1-NE2 3.43Å; S74-H140 PolarHBondContact O-NE2 3.49Å; S74-H140 PolarHBondContact OG-CE1 3.27Å; S74-H140 PolarHBondContact OG-NE2 3.25Å; I138-H140 PolarHBondContact O-CD2 2.95Å; I138-H140 PolarHBondContact O-NE2 2.76Å; H140-C143 PolarHBondContact N-O 3.38Å; H140-C143 PolarHBondContact O-N 2.78Å; H140-I145 HydrophobicContact CB-CD1 4.49Å
141C86.5Confident88.8Confident70 Ų7045.8 Ų45.847%0.47324%0.236SC..THydrogen-bonded Turntrans55.349.5-173.2-57.30000112.4Y37 C143Y37-C141 HydrophobicContact CD2-CB 4.4Å; Y37-C141 HydrophobicContact CE2-CB 4.03Å; C141-C143 PolarHBondContact O-N 3.12Å; C141-C143 VanDerWaalsContact O-N 3.1Å
142G88Confident88.5Confident37 Ų3751.3 Ų51.338%0.38126%0.256SS..THydrogen-bonded Turntrans74-11.9-177.400000115.2
143C92.1Very high87.5Confident2 Ų250.8 Ų50.81%0.01425%0.253CS..EExtended strand (participates in β ladder)trans-97.2153.5-179.5-60.80000112.1Y37 H140 C141 L168 L169Y37-C143 PolarHBondContact OH-SG 3.39Å; H140-C143 PolarHBondContact N-O 3.38Å; H140-C143 PolarHBondContact O-N 2.78Å; C141-C143 PolarHBondContact O-N 3.12Å; C141-C143 VanDerWaalsContact O-N 3.1Å; C143-L168 HydrophobicContact CB-CD1 3.6Å; C143-L168 HydrophobicContact CB-CD2 4.2Å; C143-L168 HydrophobicContact CB-CG 3.85Å; C143-L169 CarbonylContact C-O 3.58Å; C143-L169 VanDerWaalsContact CA-O 3.23Å; C143-L169 WeakPolarHBondContact CA-O 3.37Å; C143-L169 VanDerWaalsContact CB-O 3.3Å; C143-L169 WeakPolarHBondContact CB-O 3.32Å
144V93.7Very high86.4Confident0 Ų046.4 Ų46.40%024%0.242CC..EExtended strand (participates in β ladder)trans-109.6125.9176.3173.40000109.9L76 L123 L131 I138 F139 V146 L169L76-V144 HydrophobicContact CB-CG1 4.18Å; L123-V144 HydrophobicContact CD1-CB 4.08Å; L123-V144 HydrophobicContact CD1-CG2 3.72Å; L123-V144 HydrophobicContact CD2-CG2 4.34Å; L131-V144 HydrophobicContact CD1-CG1 4.37Å; L131-V144 HydrophobicContact CD1-CG2 3.88Å; I138-V144 HydrophobicContact CD1-CG1 4.23Å; I138-V144 HydrophobicContact CG1-CG1 4.22Å; F139-V144 HydrophobicContact CD1-CG2 3.71Å; F139-V144 HydrophobicContact CE1-CG2 3.69Å; V144-V146 HydrophobicContact CG1-CG2 4.2Å; V144-L169 HydrophobicContact CB-CB 4.42Å; V144-L169 PolarHBondContact N-O 3.25Å; V144-L169 PolarHBondContact O-N 3.27Å
145I94Very high85.2Confident0 Ų047.4 Ų47.40%026%0.256CS..EExtended strand (participates in β ladder)trans-80.9130.1173.2-61174.6000108.2L36 L64 V68 V73 C75 L76 H140 L168L36-I145 HydrophobicContact CD1-CD1 4.17Å; L64-I145 HydrophobicContact CD1-CD1 3.9Å; L64-I145 HydrophobicContact CD1-CG1 4.05Å; L64-I145 HydrophobicContact CD1-CG2 4.16Å; L64-I145 HydrophobicContact CD2-CG2 4.28Å; L64-I145 HydrophobicContact CG-CG2 4.26Å; V68-I145 HydrophobicContact CG2-CG2 3.99Å; V73-I145 HydrophobicContact CB-CD1 4.43Å; V73-I145 HydrophobicContact CG1-CD1 3.67Å; C75-I145 CarbonylContact C-O 3.59Å; C75-I145 VanDerWaalsContact CA-O 3.23Å; C75-I145 WeakPolarHBondContact CA-O 3.47Å; C75-I145 HydrophobicContact CB-CB 4.1Å; C75-I145 HydrophobicContact CB-CG2 3.84Å; C75-I145 VanDerWaalsContact CB-O 3.23Å; C75-I145 WeakPolarHBondContact CB-O 3.47Å; L76-I145 PolarHBondContact N-O 2.9Å; H140-I145 HydrophobicContact CB-CD1 4.49Å; I145-L168 HydrophobicContact CG1-CD1 3.79Å
146V94.9Very high84.1Confident0 Ų047 Ų470%026%0.26CS..EExtended strand (participates in β ladder)trans-120.2131.4-179.5178.50000110.6L76 V78 L118 V144 V148 H166 I167 L169L76-V146 HydrophobicContact CB-CG2 4.26Å; L76-V146 HydrophobicContact CD2-CG2 4.38Å; L76-V146 CarbonylContact O-C 3.56Å; L76-V146 WeakPolarHBondContact O-CA 3.21Å; L76-V146 WeakPolarHBondContact O-CG1 3.38Å; V78-V146 HydrophobicContact CB-CG1 4.45Å; V78-V146 HydrophobicContact CG2-CG1 3.56Å; L118-V146 HydrophobicContact CD2-CG1 4.43Å; V144-V146 HydrophobicContact CG1-CG2 4.2Å; V146-V148 HydrophobicContact CG1-CG2 3.9Å; V146-H166 CarbonylContact O-C 3.48Å; V146-H166 VanDerWaalsContact O-CA 3.28Å; V146-H166 WeakPolarHBondContact O-CA 3.47Å; V146-I167 HydrophobicContact CB-CD1 4.47Å; V146-I167 HydrophobicContact CB-CG1 3.75Å; V146-I167 HydrophobicContact CG1-CG1 4.19Å; V146-I167 PolarHBondContact N-O 3.34Å; V146-I167 PolarHBondContact O-N 3.06Å; V146-L169 HydrophobicContact CG2-CD1 3.65Å; V146-L169 HydrophobicContact CG2-CD2 4.4Å; V146-L169 HydrophobicContact CG2-CG 3.64Å
147E93.4Very high82.7Confident5 Ų550.5 Ų50.52%0.02328%0.281CS..EExtended strand (participates in β ladder)trans-101.699.7170.2-172.8-170.3169.300109.3L76 V77 V78 R92 R149 S164L76-E147 PolarHBondContact O-N 3.35Å; V77-E147 CarbonylContact C-O 3.55Å; V77-E147 WeakPolarHBondContact CA-O 3.33Å; V77-E147 HydrophobicContact CG2-CB 4.3Å; V78-E147 PolarHBondContact N-O 3.1Å; R92-E147 IonicContact CZ-OE2 2.97Å; R92-E147 IonicContact NH1-OE1 3.83Å; R92-E147 IonicContact NH1-OE2 3.67Å; R92-E147 PolarHBondContact NH1-OE2 2.82Å; E147-R149 VanDerWaalsContact CD-NE 3.26Å; E147-R149 VanDerWaalsContact CD-NH2 3.34Å; E147-R149 HydrophobicContact CG-CG 4.17Å; E147-R149 IonicContact OE1-CZ 2.88Å; E147-R149 IonicContact OE1-NE 3.63Å; E147-R149 PolarHBondContact OE1-NE 2.95Å; E147-R149 IonicContact OE1-NH2 3.55Å; E147-R149 PolarHBondContact OE1-NH2 3.19Å; E147-R149 IonicContact OE2-CZ 3.18Å; E147-R149 IonicContact OE2-NE 3.34Å; E147-R149 IonicContact OE2-NH2 2.67Å; E147-R149 PolarHBondContact OE2-NH2 2.99Å; E147-S164 WeakPolarHBondContact CG-OG 3.38Å; E147-S164 PolarHBondContact OE1-OG 3.29Å
148V94.2Very high81.4Confident26 Ų2655 Ų5516%0.15830%0.295CS..EExtended strand (participates in β ladder)trans-83.3118.8174.8-174.60000109V78 L80 V146 S164 R165 I167V78-V148 HydrophobicContact CB-CG2 4.42Å; V78-V148 WeakPolarHBondContact O-CA 3.35Å; L80-V148 HydrophobicContact CD1-CG1 3.75Å; L80-V148 HydrophobicContact CG-CG1 4.16Å; V146-V148 HydrophobicContact CG1-CG2 3.9Å; V148-S164 CarbonylContact O-C 3.54Å; V148-S164 WeakPolarHBondContact O-CA 3.46Å; V148-R165 PolarHBondContact N-O 3.06Å; V148-R165 PolarHBondContact O-N 3.16Å; V148-I167 HydrophobicContact CG2-CD1 4.16Å; V148-I167 HydrophobicContact CG2-CG1 4.37Å
149R92.4Very high79.6Confident24 Ų2460.8 Ų60.89%0.09133%0.325CS..EExtended strand (participates in β ladder)trans-109.8109.8179.9-63.3-173.3-179.8152.39.4110.7V77 V78 L80 E147 Y151 Y162V77-R149 HydrophobicContact CG1-CG 3.97Å; V78-R149 PolarHBondContact O-N 2.91Å; L80-R149 PolarHBondContact N-O 3.05Å; E147-R149 VanDerWaalsContact CD-NE 3.26Å; E147-R149 VanDerWaalsContact CD-NH2 3.34Å; E147-R149 HydrophobicContact CG-CG 4.17Å; E147-R149 IonicContact OE1-CZ 2.88Å; E147-R149 IonicContact OE1-NE 3.63Å; E147-R149 PolarHBondContact OE1-NE 2.95Å; E147-R149 IonicContact OE1-NH2 3.55Å; E147-R149 PolarHBondContact OE1-NH2 3.19Å; E147-R149 IonicContact OE2-CZ 3.18Å; E147-R149 IonicContact OE2-NE 3.34Å; E147-R149 IonicContact OE2-NH2 2.67Å; E147-R149 PolarHBondContact OE2-NH2 2.99Å; R149-Y151 HydrophobicContact CB-CD2 4.3Å; R149-Y151 HydrophobicContact CB-CE2 3.63Å; R149-Y151 WeakPolarHBondContact O-CD2 3.26Å; R149-Y162 HydrophobicContact CB-CD2 3.72Å; R149-Y162 HydrophobicContact CB-CE2 4.38Å; R149-Y162 HydrophobicContact CB-CG 4.1Å; R149-Y162 VanDerWaalsContact CD-CE2 3.41Å; R149-Y162 HydrophobicContact CG-CD2 3.48Å; R149-Y162 VanDerWaalsContact CG-CD2 3.48Å; R149-Y162 HydrophobicContact CG-CE2 3.64Å; R149-Y162 HydrophobicContact CG-CG 4.24Å
150D91.2Very high78Confident24 Ų2462.3 Ų62.313%0.12834%0.341CS..EExtended strand (participates in β ladder)trans-91.4106.2177.6-160.5-22.7000111.2R152 Q153 Y162 Q163D150-R152 WeakPolarHBondContact OD1-CA 3.42Å; D150-R152 WeakPolarHBondContact OD1-CB 3.22Å; D150-R152 WeakPolarHBondContact OD1-CG 3.27Å; D150-R152 IonicContact OD1-CZ 3.16Å; D150-R152 PolarHBondContact OD1-N 2.46Å; D150-R152 IonicContact OD1-NE 2.67Å; D150-R152 PolarHBondContact OD1-NE 3.1Å; D150-R152 IonicContact OD1-NH2 2.82Å; D150-R152 IonicContact OD2-CZ 3.95Å; D150-R152 IonicContact OD2-NE 3.68Å; D150-R152 PolarHBondContact OD2-NE 3Å; D150-R152 IonicContact OD2-NH2 3.41Å; D150-R152 PolarHBondContact OD2-NH2 2.82Å; D150-Q153 HydrophobicContact CB-CG 4.34Å; D150-Y162 WeakPolarHBondContact O-CA 3.23Å; D150-Q163 HydrophobicContact CB-CB 4.39Å; D150-Q163 PolarHBondContact N-O 3.27Å; D150-Q163 PolarHBondContact O-N 3.36Å
151Y87.9Confident77.3Confident46 Ų4663.8 Ų63.818%0.1835%0.353CS..SBendtrans-88.4-7.3174.4-64-94.3000112.3N79 L80 Y81 R149 Q153 A154 P160 Y162N79-Y151 HydrophobicContact CB-CD2 4.32Å; N79-Y151 HydrophobicContact CB-CE2 3.87Å; L80-Y151 WeakPolarHBondContact O-CB 3.3Å; L80-Y151 PolarHBondContact O-N 3.01Å; Y81-Y151 HydrophobicContact CD1-CD2 4.49Å; Y81-Y151 HydrophobicContact CE1-CD2 4.27Å; R149-Y151 HydrophobicContact CB-CD2 4.3Å; R149-Y151 HydrophobicContact CB-CE2 3.63Å; R149-Y151 WeakPolarHBondContact O-CD2 3.26Å; Y151-Q153 VanDerWaalsContact C-N 3.27Å; Y151-Q153 PolarHBondContact O-N 3.29Å; Y151-A154 WeakPolarHBondContact O-CB 3.47Å; Y151-A154 PolarHBondContact O-N 2.89Å; Y151-P160 HydrophobicContact CD1-CB 4.39Å; Y151-P160 HydrophobicContact CE1-CB 4.28Å; Y151-Y162 AromaticContact CE1-CD1 3.74Å; Y151-Y162 HydrophobicContact CE1-CD1 3.74Å; Y151-Y162 HydrophobicContact CE1-CG 4.07Å; Y151-Y162 AromaticContact CZ-CD1 3.83Å; Y151-Y162 AromaticContact CZ-CG 3.98Å
152R83Confident77.1Confident126 Ų12664.8 Ų64.848%0.47535%0.347SS..THydrogen-bonded Turntrans-73.3-24.5178.5-47.5170.7-68.9-163.37.4111.9Y81 D150Y81-R152 WeakPolarHBondContact O-CG 3.24Å; D150-R152 WeakPolarHBondContact OD1-CA 3.42Å; D150-R152 WeakPolarHBondContact OD1-CB 3.22Å; D150-R152 WeakPolarHBondContact OD1-CG 3.27Å; D150-R152 IonicContact OD1-CZ 3.16Å; D150-R152 PolarHBondContact OD1-N 2.46Å; D150-R152 IonicContact OD1-NE 2.67Å; D150-R152 PolarHBondContact OD1-NE 3.1Å; D150-R152 IonicContact OD1-NH2 2.82Å; D150-R152 IonicContact OD2-CZ 3.95Å; D150-R152 IonicContact OD2-NE 3.68Å; D150-R152 PolarHBondContact OD2-NE 3Å; D150-R152 IonicContact OD2-NH2 3.41Å; D150-R152 PolarHBondContact OD2-NH2 2.82Å
153Q67.3Low77.1Confident117 Ų11768.5 Ų68.555%0.54736%0.355SS..THydrogen-bonded Turntrans-86.8-4.3177.6-62.2-85.86300112.7D150 Y151 G155D150-Q153 HydrophobicContact CB-CG 4.34Å; Y151-Q153 VanDerWaalsContact C-N 3.27Å; Y151-Q153 PolarHBondContact O-N 3.29Å; Q153-G155 PolarHBondContact O-N 2.89Å
154A61.4Low76.9Confident40 Ų4070 Ų7033%0.33137%0.365SS..  trans-64.1123-176.300000111Y151 T161Y151-A154 WeakPolarHBondContact O-CB 3.47Å; Y151-A154 PolarHBondContact O-N 2.89Å; A154-T161 WeakPolarHBondContact CA-O 3.46Å; A154-T161 WeakPolarHBondContact CB-O 3.38Å
155G57.1Low76.8Confident44 Ų4477.8 Ų77.845%0.45440%0.395SS..  trans-63.6158.5172.200000111.5Q153 T157Q153-G155 PolarHBondContact O-N 2.89Å; G155-T157 PolarHBondContact O-N 2.85Å
156N53.5Low76.7Confident177 Ų17779.2 Ų79.295%0.94740%0.401SS*.SBendtrans-75.745.7-176.9-166.122.4000113.5
157T52.7Low76.7Confident93 Ų9380 Ų8057%0.57141%0.405SS*.SBendtrans-97.6154.2169.952.20000109.6G155 I159G155-T157 PolarHBondContact O-N 2.85Å; T157-I159 PolarHBondContact O-N 2.94Å
158K55.3Low76.7Confident220 Ų22081 Ų8196%0.95741%0.411SS*.SBendtrans-77.424.2-169.7-58.2-178.2-179.3179.90114.3
159I53.7Low76.8Confident122 Ų12279.8 Ų79.863%0.62640%0.403SS*.SBendtrans-135.6128.7-177.8-56.6174.5000106.2T157 T161T157-I159 PolarHBondContact O-N 2.94Å; I159-T161 VanDerWaalsContact C-N 3.33Å; I159-T161 PolarHBondContact O-N 3.48Å
160P56Low76.9Confident96 Ų9682.2 Ų82.262%0.62341%0.412SS*.  trans-72.184.5-177.729.4-35.2000111.7Y151 Y162Y151-P160 HydrophobicContact CD1-CB 4.39Å; Y151-P160 HydrophobicContact CE1-CB 4.28Å; P160-Y162 PolarHBondContact O-N 3.01Å
161T74.1Confident77Confident71 Ų7182.7 Ų82.744%0.43642%0.417SS..  trans-8188.7176.743.70000110.9A154 I159A154-T161 WeakPolarHBondContact CA-O 3.46Å; A154-T161 WeakPolarHBondContact CB-O 3.38Å; I159-T161 VanDerWaalsContact C-N 3.33Å; I159-T161 PolarHBondContact O-N 3.48Å
162Y84.2Confident77.2Confident91 Ų9181.5 Ų81.536%0.35741%0.414SS..  trans-77.5145.3173.257.6-86.5000111.8R149 D150 Y151 P160R149-Y162 HydrophobicContact CB-CD2 3.72Å; R149-Y162 HydrophobicContact CB-CE2 4.38Å; R149-Y162 HydrophobicContact CB-CG 4.1Å; R149-Y162 VanDerWaalsContact CD-CE2 3.41Å; R149-Y162 HydrophobicContact CG-CD2 3.48Å; R149-Y162 VanDerWaalsContact CG-CD2 3.48Å; R149-Y162 HydrophobicContact CG-CE2 3.64Å; R149-Y162 HydrophobicContact CG-CG 4.24Å; D150-Y162 WeakPolarHBondContact O-CA 3.23Å; Y151-Y162 AromaticContact CE1-CD1 3.74Å; Y151-Y162 HydrophobicContact CE1-CD1 3.74Å; Y151-Y162 HydrophobicContact CE1-CG 4.07Å; Y151-Y162 AromaticContact CZ-CD1 3.83Å; Y151-Y162 AromaticContact CZ-CG 3.98Å; P160-Y162 PolarHBondContact O-N 3.01Å
163Q86.8Confident77.7Confident114 Ų11480.6 Ų80.653%0.53342%0.417SS..EExtended strand (participates in β ladder)trans-82.9115.9164.4-174.1172.829.200108.6D150D150-Q163 HydrophobicContact CB-CB 4.39Å; D150-Q163 PolarHBondContact N-O 3.27Å; D150-Q163 PolarHBondContact O-N 3.36Å
164S88.5Confident79Confident33 Ų3380.4 Ų80.423%0.23142%0.416CS..EExtended strand (participates in β ladder)trans-90.5140.6176.5-163.20000111.1E147 V148E147-S164 WeakPolarHBondContact CG-OG 3.38Å; E147-S164 PolarHBondContact OE1-OG 3.29Å; V148-S164 CarbonylContact O-C 3.54Å; V148-S164 WeakPolarHBondContact O-CA 3.46Å
165R91Very high80.5Confident165 Ų16578.6 Ų78.662%0.62340%0.4SS*.EExtended strand (participates in β ladder)trans-139.2128.9170.1175.1175.7171.8161.6-3.7109.8V148 I167V148-R165 PolarHBondContact N-O 3.06Å; V148-R165 PolarHBondContact O-N 3.16Å; R165-I167 HydrophobicContact CG-CG2 4.34Å
166H92.7Very high82.2Confident29 Ų2977 Ų7713%0.13438%0.381CS..EExtended strand (participates in β ladder)trans-91.7134.7175.2-64.783.6000111.4L64 E65 V146L64-H166 HydrophobicContact CB-CB 4.23Å; L64-H166 HydrophobicContact CD2-CB 3.97Å; L64-H166 HydrophobicContact CG-CB 3.95Å; E65-H166 HydrophobicContact CB-CB 4.49Å; V146-H166 CarbonylContact O-C 3.48Å; V146-H166 VanDerWaalsContact O-CA 3.28Å; V146-H166 WeakPolarHBondContact O-CA 3.47Å
167I94.4Very high84Confident17 Ų1772.1 Ų72.19%0.08736%0.355CS..EExtended strand (participates in β ladder)trans-132.1162.5170.966.9177.1000110.3L64 L118 V146 V148 R165 L169L64-I167 WeakPolarHBondContact CD2-O 3.5Å; L118-I167 HydrophobicContact CB-CD1 4.19Å; L118-I167 HydrophobicContact CD2-CD1 4.25Å; V146-I167 HydrophobicContact CB-CD1 4.47Å; V146-I167 HydrophobicContact CB-CG1 3.75Å; V146-I167 HydrophobicContact CG1-CG1 4.19Å; V146-I167 PolarHBondContact N-O 3.34Å; V146-I167 PolarHBondContact O-N 3.06Å; V148-I167 HydrophobicContact CG2-CD1 4.16Å; V148-I167 HydrophobicContact CG2-CG1 4.37Å; R165-I167 HydrophobicContact CG-CG2 4.34Å; I167-L169 HydrophobicContact CD1-CD2 4.06Å; I167-L169 HydrophobicContact CG1-CD2 4.44Å
168L94.6Very high85.8Confident26 Ų2669.8 Ų69.814%0.13634%0.342CS..EExtended strand (participates in β ladder)trans-119.1115179.4-174.170.3000109.1L36 L64 C143 I145L36-L168 HydrophobicContact CD2-CD1 3.67Å; L36-L168 HydrophobicContact CD2-CD2 3.99Å; L64-L168 HydrophobicContact CD2-CB 4.13Å; C143-L168 HydrophobicContact CB-CD1 3.6Å; C143-L168 HydrophobicContact CB-CD2 4.2Å; C143-L168 HydrophobicContact CB-CG 3.85Å; I145-L168 HydrophobicContact CG1-CD1 3.79Å
169L95.4Very high87.5Confident0 Ų061.8 Ų61.80%031%0.309CS..EExtended strand (participates in β ladder)trans-84.3122.6173.5-54.2-174.3000109.3L118 L123 C143 V144 V146 I167L118-L169 HydrophobicContact CD2-CD1 3.93Å; L118-L169 HydrophobicContact CD2-CD2 3.94Å; L118-L169 HydrophobicContact CD2-CG 4.48Å; L123-L169 HydrophobicContact CB-CB 4.2Å; L123-L169 HydrophobicContact CD1-CB 4.36Å; L123-L169 HydrophobicContact CD1-CD1 4.24Å; C143-L169 CarbonylContact C-O 3.58Å; C143-L169 VanDerWaalsContact CA-O 3.23Å; C143-L169 WeakPolarHBondContact CA-O 3.37Å; C143-L169 VanDerWaalsContact CB-O 3.3Å; C143-L169 WeakPolarHBondContact CB-O 3.32Å; V144-L169 HydrophobicContact CB-CB 4.42Å; V144-L169 PolarHBondContact N-O 3.25Å; V144-L169 PolarHBondContact O-N 3.27Å; V146-L169 HydrophobicContact CG2-CD1 3.65Å; V146-L169 HydrophobicContact CG2-CD2 4.4Å; V146-L169 HydrophobicContact CG2-CG 3.64Å; I167-L169 HydrophobicContact CD1-CD2 4.06Å; I167-L169 HydrophobicContact CG1-CD2 4.44Å
170R93.4Very high89.4Confident76 Ų7656.1 Ų56.129%0.28728%0.281SS..BIsolated β-bridgetrans-86149.5175.4-64.3173.4-172.872.6-5.1110.7E121 L123 E208E121-R170 VanDerWaalsContact CB-NH1 3.32Å; E121-R170 PolarHBondContact O-N 3.27Å; E121-R170 IonicContact OE2-CZ 3.54Å; E121-R170 IonicContact OE2-NH1 3.29Å; E121-R170 PolarHBondContact OE2-NH1 3.43Å; E121-R170 IonicContact OE2-NH2 2.77Å; E121-R170 PolarHBondContact OE2-NH2 3.04Å; L123-R170 VanDerWaalsContact CB-O 3.22Å; L123-R170 WeakPolarHBondContact CB-O 3.47Å; L123-R170 PolarHBondContact N-O 3.1Å; R170-E208 WeakPolarHBondContact CD-OE1 3.49Å; R170-E208 IonicContact CZ-OE1 3.49Å; R170-E208 IonicContact NE-OE1 2.8Å; R170-E208 PolarHBondContact NE-OE1 3.32Å
171P93.7Very high91Very high33 Ų3356.2 Ų56.221%0.21427%0.272CS..PPolyproline II helixtrans-59.2152167.528.3-34.7000110.5T175 L176P171-T175 WeakPolarHBondContact CA-OG1 3.48Å; P171-T175 WeakPolarHBondContact CB-OG1 3.27Å; P171-L176 HydrophobicContact CB-CD2 4.04Å
172T93.5Very high91.7Very high21 Ų2155.2 Ų55.213%0.12927%0.271CS..  trans-116.8165174.7700000109.4E122 Q174 T175 L176E122-T172 HydrophobicContact CB-CG2 3.73Å; E122-T172 HydrophobicContact CG-CG2 3.92Å; T172-Q174 PolarHBondContact O-N 2.86Å; T172-Q174 VanDerWaalsContact O-N 3.1Å; T172-Q174 PolarHBondContact OG1-N 2.91Å; T172-T175 PolarHBondContact N-OG1 3.09Å; T172-T175 PolarHBondContact O-N 2.8Å; T172-T175 PolarHBondContact O-OG1 3.47Å; T172-T175 PolarHBondContact OG1-N 2.98Å; T172-L176 WeakPolarHBondContact O-CG 3.34Å; T172-L176 PolarHBondContact O-N 3.18Å
173M92.9Very high91.9Very high108 Ų10855.9 Ų55.953%0.53228%0.279SS..Hα-helixtrans-56.6-30175-59.4-62.495.500111.8L176 I177 I203M173-L176 HydrophobicContact CE-CD1 3.57Å; M173-L176 HydrophobicContact SD-CD1 4.49Å; M173-I177 WeakPolarHBondContact O-CB 3.07Å; M173-I177 WeakPolarHBondContact O-CD1 3.4Å; M173-I177 WeakPolarHBondContact O-CG1 3.5Å; M173-I177 PolarHBondContact O-N 2.72Å; M173-I203 HydrophobicContact SD-CG1 4.47Å
174Q93.6Very high92.1Very high113 Ų11350.7 Ų50.753%0.52826%0.255SS..Hα-helixtrans-69.4-38.8174-67-176.1-11.700112.9P125 T172 I177 C178P125-Q174 HydrophobicContact CG-CB 3.56Å; T172-Q174 PolarHBondContact O-N 2.86Å; T172-Q174 VanDerWaalsContact O-N 3.1Å; T172-Q174 PolarHBondContact OG1-N 2.91Å; Q174-I177 PolarHBondContact O-N 3.14Å; Q174-C178 PolarHBondContact O-N 3.15Å; Q174-C178 PolarHBondContact O-SG 3.38Å; Q174-C178 VanDerWaalsContact O-SG 3.33Å
175T93.9Very high92Very high1 Ų152.8 Ų52.81%0.00627%0.27CS..Hα-helixtrans-66.8-43.8175.466.10000111L123 P125 V128 P171 T172 I177 C178 D179L123-T175 HydrophobicContact CB-CG2 4.13Å; L123-T175 HydrophobicContact CD2-CG2 4.13Å; L123-T175 HydrophobicContact CG-CG2 4.09Å; L123-T175 VanDerWaalsContact O-CG2 3.27Å; L123-T175 WeakPolarHBondContact O-CG2 3.49Å; P125-T175 HydrophobicContact CG-CG2 4.18Å; V128-T175 HydrophobicContact CG2-CG2 3.67Å; P171-T175 WeakPolarHBondContact CA-OG1 3.48Å; P171-T175 WeakPolarHBondContact CB-OG1 3.27Å; T172-T175 PolarHBondContact N-OG1 3.09Å; T172-T175 PolarHBondContact O-N 2.8Å; T172-T175 PolarHBondContact O-OG1 3.47Å; T172-T175 PolarHBondContact OG1-N 2.98Å; T175-I177 VanDerWaalsContact C-N 3.28Å; T175-I177 PolarHBondContact O-N 3.3Å; T175-C178 CarbonylContact O-C 3.59Å; T175-C178 WeakPolarHBondContact O-CA 3.26Å; T175-C178 VanDerWaalsContact O-CB 3.31Å; T175-C178 WeakPolarHBondContact O-CB 3.28Å; T175-C178 PolarHBondContact O-N 3.05Å; T175-D179 PolarHBondContact O-N 3.32Å
176L92.6Very high91.7Very high10 Ų1048 Ų485%0.05226%0.257CS..Hα-helixtrans-61.6-37177.5-56.8-176.2000112.1P171 T172 M173 C178 D179 V180 L202 I203 T206P171-L176 HydrophobicContact CB-CD2 4.04Å; T172-L176 WeakPolarHBondContact O-CG 3.34Å; T172-L176 PolarHBondContact O-N 3.18Å; M173-L176 HydrophobicContact CE-CD1 3.57Å; M173-L176 HydrophobicContact SD-CD1 4.49Å; L176-C178 VanDerWaalsContact C-N 3.35Å; L176-D179 PolarHBondContact O-N 2.88Å; L176-V180 WeakPolarHBondContact O-CG2 3.2Å; L176-V180 PolarHBondContact O-N 3.3Å; L176-L202 HydrophobicContact CB-CD2 3.93Å; L176-L202 HydrophobicContact CB-CG 4.45Å; L176-L202 HydrophobicContact CD1-CG 4.42Å; L176-L202 HydrophobicContact CD2-CD1 4.29Å; L176-L202 HydrophobicContact CD2-CD2 4.01Å; L176-L202 HydrophobicContact CD2-CG 4.01Å; L176-L202 HydrophobicContact CG-CD2 4.42Å; L176-I203 HydrophobicContact CD1-CG1 4.46Å; L176-T206 VanDerWaalsContact CD1-OG1 3.31Å; L176-T206 WeakPolarHBondContact CD1-OG1 3.2Å; L176-T206 HydrophobicContact CD2-CG2 4.13Å
177I91.8Very high90.8Very high75 Ų7554.6 Ų54.639%0.38529%0.287SS..Hα-helixtrans-66.6-35.6173.4-72166000111.2M173 Q174 T175 H181M173-I177 WeakPolarHBondContact O-CB 3.07Å; M173-I177 WeakPolarHBondContact O-CD1 3.4Å; M173-I177 WeakPolarHBondContact O-CG1 3.5Å; M173-I177 PolarHBondContact O-N 2.72Å; Q174-I177 PolarHBondContact O-N 3.14Å; T175-I177 VanDerWaalsContact C-N 3.28Å; T175-I177 PolarHBondContact O-N 3.3Å; I177-H181 WeakPolarHBondContact CG2-ND1 3.45Å; I177-H181 WeakPolarHBondContact O-CB 3.09Å; I177-H181 PolarHBondContact O-N 3.04Å; I177-H181 VanDerWaalsContact O-N 3.09Å; I177-H181 PolarHBondContact O-ND1 2.6Å
178C90.9Very high89.9Confident44 Ų4460.9 Ų60.930%0.29732%0.316SS..Hα-helixtrans-64.7-47.1170.9-68.60000111.5Q174 T175 L176 V180 H181 A182Q174-C178 PolarHBondContact O-N 3.15Å; Q174-C178 PolarHBondContact O-SG 3.38Å; Q174-C178 VanDerWaalsContact O-SG 3.33Å; T175-C178 CarbonylContact O-C 3.59Å; T175-C178 WeakPolarHBondContact O-CA 3.26Å; T175-C178 VanDerWaalsContact O-CB 3.31Å; T175-C178 WeakPolarHBondContact O-CB 3.28Å; T175-C178 PolarHBondContact O-N 3.05Å; L176-C178 VanDerWaalsContact C-N 3.35Å; C178-V180 PolarHBondContact O-N 3.34Å; C178-H181 PolarHBondContact O-N 3Å; C178-H181 VanDerWaalsContact O-N 3.16Å; C178-A182 PolarHBondContact O-N 3.33Å
179D90.8Very high89.5Confident53 Ų5366 Ų6628%0.28334%0.337SS..Hα-helixtrans-57.3-48.8178.5-58.1-34.6000111.1V128 T175 L176 H181 A182 M183 L202V128-D179 VanDerWaalsContact CG1-OD1 3.29Å; V128-D179 WeakPolarHBondContact CG1-OD1 3.35Å; T175-D179 PolarHBondContact O-N 3.32Å; L176-D179 PolarHBondContact O-N 2.88Å; D179-H181 PolarHBondContact O-N 3.14Å; D179-A182 PolarHBondContact O-N 3.03Å; D179-M183 WeakPolarHBondContact O-CB 3.41Å; D179-M183 WeakPolarHBondContact O-CG 3.27Å; D179-M183 PolarHBondContact O-N 2.95Å; D179-L202 HydrophobicContact CB-CD2 4.48Å
180V92Very high89.2Confident3 Ų370.4 Ų70.42%0.01835%0.354CS..Hα-helixtrans-60-44176.2170.60000111.1L176 C178 A182 M183 T184 K195 L198 E199 L202L176-V180 WeakPolarHBondContact O-CG2 3.2Å; L176-V180 PolarHBondContact O-N 3.3Å; C178-V180 PolarHBondContact O-N 3.34Å; V180-A182 PolarHBondContact O-N 2.88Å; V180-M183 PolarHBondContact O-N 3.45Å; V180-T184 HydrophobicContact CG1-CG2 4.31Å; V180-T184 WeakPolarHBondContact O-CB 3.33Å; V180-T184 WeakPolarHBondContact O-CG2 3.42Å; V180-T184 PolarHBondContact O-N 3.13Å; V180-T184 PolarHBondContact O-OG1 3.19Å; V180-K195 HydrophobicContact CG1-CD 4.44Å; V180-K195 HydrophobicContact CG1-CG 3.79Å; V180-L198 HydrophobicContact CG1-CD2 4.44Å; V180-L198 HydrophobicContact CG2-CD2 4.46Å; V180-L198 HydrophobicContact CG2-CG 4.37Å; V180-E199 HydrophobicContact CG2-CB 4.47Å; V180-L202 HydrophobicContact CG2-CD2 3.78Å
181H90.1Very high89.2Confident98 Ų9870.5 Ų70.545%0.45436%0.363SS..Hα-helixtrans-66.9-35177.7-76.3113.4000113.5I177 C178 D179 S185 K195I177-H181 WeakPolarHBondContact CG2-ND1 3.45Å; I177-H181 WeakPolarHBondContact O-CB 3.09Å; I177-H181 PolarHBondContact O-N 3.04Å; I177-H181 VanDerWaalsContact O-N 3.09Å; I177-H181 PolarHBondContact O-ND1 2.6Å; C178-H181 PolarHBondContact O-N 3Å; C178-H181 VanDerWaalsContact O-N 3.16Å; D179-H181 PolarHBondContact O-N 3.14Å; H181-S185 PolarHBondContact O-N 3.23Å; H181-S185 VanDerWaalsContact O-N 3.15Å; H181-K195 PolarHBondContact CD2-NZ 3.35Å; H181-K195 PolarHBondContact NE2-NZ 3.17Å
182A89.1Confident89.1Confident50 Ų5074.4 Ų74.441%0.41338%0.378SS..Hα-helixtrans-64.5-48.6173.600000110.7C178 D179 V180 S185C178-A182 PolarHBondContact O-N 3.33Å; D179-A182 PolarHBondContact O-N 3.03Å; V180-A182 PolarHBondContact O-N 2.88Å; A182-S185 WeakPolarHBondContact O-CB 3.33Å; A182-S185 PolarHBondContact O-N 3.44Å; A182-S185 PolarHBondContact O-OG 3.1Å
183M88.7Confident89.2Confident105 Ų10579.3 Ų79.352%0.51740%0.403SS..Hα-helixtrans-65-37.6178.8-69.4178.265.100113.7D179 V180 W190 L198D179-M183 WeakPolarHBondContact O-CB 3.41Å; D179-M183 WeakPolarHBondContact O-CG 3.27Å; D179-M183 PolarHBondContact O-N 2.95Å; V180-M183 PolarHBondContact O-N 3.45Å; M183-W190 PolarHBondContact O-NE1 2.88Å; M183-W190 VanDerWaalsContact O-NE1 3.11Å; M183-L198 HydrophobicContact CB-CD2 4.34Å; M183-L198 HydrophobicContact CE-CD1 4.09Å; M183-L198 HydrophobicContact CE-CD2 4.09Å; M183-L198 HydrophobicContact SD-CD2 4.45Å
184T91.3Very high89.2Confident5 Ų577.6 Ų77.63%0.03140%0.397CS..THydrogen-bonded Turntrans-96.916.7-178.973.30000114V180 D186 W190 K195 L198V180-T184 HydrophobicContact CG1-CG2 4.31Å; V180-T184 WeakPolarHBondContact O-CB 3.33Å; V180-T184 WeakPolarHBondContact O-CG2 3.42Å; V180-T184 PolarHBondContact O-N 3.13Å; V180-T184 PolarHBondContact O-OG1 3.19Å; T184-D186 PolarHBondContact O-N 2.97Å; T184-W190 HydrophobicContact CG2-CB 4.36Å; T184-W190 HydrophobicContact CG2-CD2 3.77Å; T184-W190 HydrophobicContact CG2-CE3 4.05Å; T184-W190 HydrophobicContact CG2-CG 3.91Å; T184-K195 HydrophobicContact CG2-CB 4.36Å; T184-K195 HydrophobicContact CG2-CG 4.13Å; T184-L198 HydrophobicContact CG2-CD2 3.86Å
185S86.5Confident89.2Confident77 Ų7774.1 Ų74.154%0.53838%0.38SS..  trans-61.8-28177.254.30000113H181 A182 H187H181-S185 PolarHBondContact O-N 3.23Å; H181-S185 VanDerWaalsContact O-N 3.15Å; A182-S185 WeakPolarHBondContact O-CB 3.33Å; A182-S185 PolarHBondContact O-N 3.44Å; A182-S185 PolarHBondContact O-OG 3.1Å; S185-H187 PolarHBondContact O-N 3.36Å
186D84.7Confident89.2Confident65 Ų6578.1 Ų78.135%0.34840%0.401SS..  trans-71.773.3166.9-85-27.7000111.7T184 H188 K189T184-D186 PolarHBondContact O-N 2.97Å; D186-H188 PolarHBondContact O-N 2.78Å; D186-H188 IonicContact OD1-CE1 3.75Å; D186-H188 PolarHBondContact OD1-CE1 2.9Å; D186-H188 IonicContact OD1-ND1 2.69Å; D186-K189 HydrophobicContact CB-CB 4.32Å; D186-K189 HydrophobicContact CB-CD 3.91Å; D186-K189 HydrophobicContact CB-CG 4.22Å; D186-K189 PolarHBondContact O-N 3.26Å; D186-K189 IonicContact OD2-NZ 2.63Å; D186-K189 PolarHBondContact OD2-NZ 3.4Å
187H72.8Confident89.3Confident167 Ų16783 Ų8377%0.77342%0.423SS*.THydrogen-bonded Turntrans-53.5-14.7179.2-68.7-58.3000115.6S185S185-H187 PolarHBondContact O-N 3.36Å
188H76.1Confident89.4Confident148 Ų14881.1 Ų81.169%0.68541%0.413SS*.THydrogen-bonded Turntrans-91.7-3.7178.864.2-83.4000113.9D186D186-H188 PolarHBondContact O-N 2.78Å; D186-H188 IonicContact OD1-CE1 3.75Å; D186-H188 PolarHBondContact OD1-CE1 2.9Å; D186-H188 IonicContact OD1-ND1 2.69Å
189K85.4Confident89.5Confident134 Ų13482 Ų8258%0.58341%0.414SS*.THydrogen-bonded Turntrans-114.1-21.4179-64176.1-173.3154.40113.8D186D186-K189 HydrophobicContact CB-CB 4.32Å; D186-K189 HydrophobicContact CB-CD 3.91Å; D186-K189 HydrophobicContact CB-CG 4.22Å; D186-K189 PolarHBondContact O-N 3.26Å; D186-K189 IonicContact OD2-NZ 2.63Å; D186-K189 PolarHBondContact OD2-NZ 3.4Å
190W90.4Very high89.7Confident93 Ų9381.9 Ų81.935%0.35242%0.417SS..  trans-117.1122.9-172.8-64.895.9000110.5M183 T184 D194 L198M183-W190 PolarHBondContact O-NE1 2.88Å; M183-W190 VanDerWaalsContact O-NE1 3.11Å; T184-W190 HydrophobicContact CG2-CB 4.36Å; T184-W190 HydrophobicContact CG2-CD2 3.77Å; T184-W190 HydrophobicContact CG2-CE3 4.05Å; T184-W190 HydrophobicContact CG2-CG 3.91Å; W190-D194 HydrophobicContact CE3-CB 3.84Å; W190-D194 HydrophobicContact CZ3-CB 4.42Å; W190-L198 HydrophobicContact CH2-CD2 4.09Å; W190-L198 HydrophobicContact CZ3-CD2 4.13Å
191T92.3Very high89.8Confident78 Ų7886.5 Ų86.548%0.47944%0.438SS..  trans-77.2166.6166.272.40000110.7D193 D194 K195T191-D193 PolarHBondContact O-N 3.18Å; T191-D193 PolarHBondContact OG1-N 3.42Å; T191-D194 VanDerWaalsContact CB-OD2 3.25Å; T191-D194 WeakPolarHBondContact CB-OD2 3.23Å; T191-D194 WeakPolarHBondContact CG2-OD2 3.23Å; T191-D194 PolarHBondContact N-OD2 3.32Å; T191-D194 PolarHBondContact O-N 3.29Å; T191-D194 PolarHBondContact OG1-N 2.96Å; T191-D194 VanDerWaalsContact OG1-N 3.12Å; T191-D194 PolarHBondContact OG1-OD2 3.02Å; T191-K195 PolarHBondContact O-N 2.59Å
192Q92.6Very high89.9Confident115 Ų11583.9 Ų83.954%0.53743%0.427SS..Hα-helixtrans-64.4-30.4174.5-179.655.937.100112K195 L196Q192-K195 PolarHBondContact O-N 2.9Å; Q192-L196 HydrophobicContact CG-CD1 4.44Å; Q192-L196 VanDerWaalsContact O-CG 3.32Å; Q192-L196 WeakPolarHBondContact O-CG 3.37Å; Q192-L196 PolarHBondContact O-N 2.67Å
193D94.3Very high90Very high123 Ų12384.6 Ų84.666%0.65842%0.423SS*.Hα-helixtrans-74.1-39176.3-64.9-35.1000111.5T191 K195 L196 Q197T191-D193 PolarHBondContact O-N 3.18Å; T191-D193 PolarHBondContact OG1-N 3.42Å; D193-K195 VanDerWaalsContact C-N 3.28Å; D193-K195 PolarHBondContact O-N 3.05Å; D193-L196 PolarHBondContact O-N 3.04Å; D193-Q197 WeakPolarHBondContact O-CB 3.42Å; D193-Q197 PolarHBondContact O-N 3.42Å
194D93.7Very high90Very high73 Ų7385.5 Ų85.539%0.3943%0.43SS..Hα-helixtrans-60.8-39.7172.3-58.4-55.8000111.3W190 T191 Q197 L198W190-D194 HydrophobicContact CE3-CB 3.84Å; W190-D194 HydrophobicContact CZ3-CB 4.42Å; T191-D194 VanDerWaalsContact CB-OD2 3.25Å; T191-D194 WeakPolarHBondContact CB-OD2 3.23Å; T191-D194 WeakPolarHBondContact CG2-OD2 3.23Å; T191-D194 PolarHBondContact N-OD2 3.32Å; T191-D194 PolarHBondContact O-N 3.29Å; T191-D194 PolarHBondContact OG1-N 2.96Å; T191-D194 VanDerWaalsContact OG1-N 3.12Å; T191-D194 PolarHBondContact OG1-OD2 3.02Å; D194-Q197 PolarHBondContact O-N 2.84Å; D194-L198 WeakPolarHBondContact O-CB 3.35Å; D194-L198 PolarHBondContact O-N 3.07Å
195K93.4Very high89.8Confident40 Ų4089.3 Ų89.317%0.17446%0.462CS..Hα-helixtrans-64.3-45.1176.1-176.4-177.5179.8-170.40111.9V180 H181 T184 T191 Q192 D193 Q197 L198 E199V180-K195 HydrophobicContact CG1-CD 4.44Å; V180-K195 HydrophobicContact CG1-CG 3.79Å; H181-K195 PolarHBondContact CD2-NZ 3.35Å; H181-K195 PolarHBondContact NE2-NZ 3.17Å; T184-K195 HydrophobicContact CG2-CB 4.36Å; T184-K195 HydrophobicContact CG2-CG 4.13Å; T191-K195 PolarHBondContact O-N 2.59Å; Q192-K195 PolarHBondContact O-N 2.9Å; D193-K195 VanDerWaalsContact C-N 3.28Å; D193-K195 PolarHBondContact O-N 3.05Å; K195-Q197 VanDerWaalsContact C-N 3.32Å; K195-Q197 PolarHBondContact O-N 3.48Å; K195-L198 PolarHBondContact O-N 2.74Å; K195-E199 WeakPolarHBondContact O-CB 2.75Å; K195-E199 PolarHBondContact O-N 3.03Å
196L93.5Very high89.8Confident85 Ų8588.2 Ų88.245%0.44545%0.452SS..Hα-helixtrans-64.2-37.3175.6-73.3168.2000111.8Q192 D193 S200Q192-L196 HydrophobicContact CG-CD1 4.44Å; Q192-L196 VanDerWaalsContact O-CG 3.32Å; Q192-L196 WeakPolarHBondContact O-CG 3.37Å; Q192-L196 PolarHBondContact O-N 2.67Å; D193-L196 PolarHBondContact O-N 3.04Å; L196-S200 VanDerWaalsContact O-CB 3.26Å; L196-S200 WeakPolarHBondContact O-CB 3.48Å; L196-S200 PolarHBondContact O-N 2.69Å
197Q94.6Very high89.9Confident112 Ų11287.9 Ų87.952%0.52346%0.458SS..Hα-helixtrans-67.9-40.8175.2-175.863.29.900111.6D193 D194 K195 S200 Q201D193-Q197 WeakPolarHBondContact O-CB 3.42Å; D193-Q197 PolarHBondContact O-N 3.42Å; D194-Q197 PolarHBondContact O-N 2.84Å; K195-Q197 VanDerWaalsContact C-N 3.32Å; K195-Q197 PolarHBondContact O-N 3.48Å; Q197-S200 PolarHBondContact O-N 3.49Å; Q197-Q201 WeakPolarHBondContact O-CG 3.36Å; Q197-Q201 PolarHBondContact O-N 3.37Å
198L93.9Very high90.4Very high35 Ų3585.7 Ų85.718%0.18345%0.448CS..Hα-helixtrans-61.4-47.8173.4176.862.9000111.5V180 M183 T184 W190 D194 K195 S200 Q201 L202V180-L198 HydrophobicContact CG1-CD2 4.44Å; V180-L198 HydrophobicContact CG2-CD2 4.46Å; V180-L198 HydrophobicContact CG2-CG 4.37Å; M183-L198 HydrophobicContact CB-CD2 4.34Å; M183-L198 HydrophobicContact CE-CD1 4.09Å; M183-L198 HydrophobicContact CE-CD2 4.09Å; M183-L198 HydrophobicContact SD-CD2 4.45Å; T184-L198 HydrophobicContact CG2-CD2 3.86Å; W190-L198 HydrophobicContact CH2-CD2 4.09Å; W190-L198 HydrophobicContact CZ3-CD2 4.13Å; D194-L198 WeakPolarHBondContact O-CB 3.35Å; D194-L198 PolarHBondContact O-N 3.07Å; K195-L198 PolarHBondContact O-N 2.74Å; L198-S200 PolarHBondContact O-N 2.83Å; L198-Q201 PolarHBondContact O-N 2.83Å; L198-L202 VanDerWaalsContact O-CB 3.32Å; L198-L202 WeakPolarHBondContact O-CB 3.34Å; L198-L202 PolarHBondContact O-N 3.36Å
199E93.7Very high90.7Very high64 Ų6485 Ų8530%0.29946%0.456SS..Hα-helixtrans-58.7-46.5176.2-177175.5176.200111.4V180 K195 Q201 L202 I203V180-E199 HydrophobicContact CG2-CB 4.47Å; K195-E199 WeakPolarHBondContact O-CB 2.75Å; K195-E199 PolarHBondContact O-N 3.03Å; E199-Q201 PolarHBondContact O-N 2.94Å; E199-L202 PolarHBondContact O-N 2.95Å; E199-I203 HydrophobicContact CG-CD1 3.86Å; E199-I203 WeakPolarHBondContact O-CB 3.35Å; E199-I203 VanDerWaalsContact O-CG1 3.29Å; E199-I203 WeakPolarHBondContact O-CG1 3.2Å; E199-I203 PolarHBondContact O-N 3.35Å
200S94.8Very high90.6Very high50 Ų5085.3 Ų85.335%0.3546%0.464SS..Hα-helixtrans-57.7-49175.8179.40000112.6L196 Q197 L198 L202 I203 L204L196-S200 VanDerWaalsContact O-CB 3.26Å; L196-S200 WeakPolarHBondContact O-CB 3.48Å; L196-S200 PolarHBondContact O-N 2.69Å; Q197-S200 PolarHBondContact O-N 3.49Å; L198-S200 PolarHBondContact O-N 2.83Å; S200-L202 PolarHBondContact O-N 3Å; S200-I203 PolarHBondContact O-N 2.92Å; S200-L204 WeakPolarHBondContact O-CB 3.37Å; S200-L204 VanDerWaalsContact O-CG 3.29Å; S200-L204 WeakPolarHBondContact O-CG 3.39Å; S200-L204 PolarHBondContact O-N 3.2Å
201Q93.8Very high90.4Very high100 Ų10085.1 Ų85.147%0.46748%0.476SS..Hα-helixtrans-65.8-38.4177.6-66.3-55.4-52.600112.3Q197 L198 E199 L204 A205Q197-Q201 WeakPolarHBondContact O-CG 3.36Å; Q197-Q201 PolarHBondContact O-N 3.37Å; L198-Q201 PolarHBondContact O-N 2.83Å; E199-Q201 PolarHBondContact O-N 2.94Å; Q201-L204 PolarHBondContact O-N 2.96Å; Q201-A205 VanDerWaalsContact O-CB 3.27Å; Q201-A205 WeakPolarHBondContact O-CB 3.34Å; Q201-A205 PolarHBondContact O-N 3.12Å
202L91.9Very high90.3Very high43 Ų4388.9 Ų88.923%0.22549%0.492CS..Hα-helixtrans-67.2-41.3179.1-175.960.9000111.7L176 D179 V180 L198 E199 S200 A205 T206L176-L202 HydrophobicContact CB-CD2 3.93Å; L176-L202 HydrophobicContact CB-CG 4.45Å; L176-L202 HydrophobicContact CD1-CG 4.42Å; L176-L202 HydrophobicContact CD2-CD1 4.29Å; L176-L202 HydrophobicContact CD2-CD2 4.01Å; L176-L202 HydrophobicContact CD2-CG 4.01Å; L176-L202 HydrophobicContact CG-CD2 4.42Å; D179-L202 HydrophobicContact CB-CD2 4.48Å; V180-L202 HydrophobicContact CG2-CD2 3.78Å; L198-L202 VanDerWaalsContact O-CB 3.32Å; L198-L202 WeakPolarHBondContact O-CB 3.34Å; L198-L202 PolarHBondContact O-N 3.36Å; E199-L202 PolarHBondContact O-N 2.95Å; S200-L202 PolarHBondContact O-N 3Å; L202-A205 PolarHBondContact O-N 2.81Å; L202-T206 HydrophobicContact CD1-CG2 4.16Å; L202-T206 WeakPolarHBondContact O-CB 3.13Å; L202-T206 WeakPolarHBondContact O-CG2 3.32Å; L202-T206 PolarHBondContact O-N 2.98Å; L202-T206 VanDerWaalsContact O-N 3.09Å; L202-T206 PolarHBondContact O-OG1 2.84Å
203I91.2Very high90.2Very high65 Ų6587.5 Ų87.533%0.33349%0.488SS..Hα-helixtrans-62.7-47.6173.5-69.7167.9000110.3M173 L176 E199 S200 A205 T206 A207M173-I203 HydrophobicContact SD-CG1 4.47Å; L176-I203 HydrophobicContact CD1-CG1 4.46Å; E199-I203 HydrophobicContact CG-CD1 3.86Å; E199-I203 WeakPolarHBondContact O-CB 3.35Å; E199-I203 VanDerWaalsContact O-CG1 3.29Å; E199-I203 WeakPolarHBondContact O-CG1 3.2Å; E199-I203 PolarHBondContact O-N 3.35Å; S200-I203 PolarHBondContact O-N 2.92Å; I203-A205 VanDerWaalsContact C-N 3.29Å; I203-A205 PolarHBondContact O-N 3.49Å; I203-T206 PolarHBondContact O-N 3.2Å; I203-T206 PolarHBondContact O-OG1 3.34Å; I203-A207 WeakPolarHBondContact O-CB 3.4Å; I203-A207 PolarHBondContact O-N 3.35Å
204L89.6Confident90Very high124 Ų12487.5 Ų87.565%0.64950%0.495SS*.Hα-helixtrans-62.7-33.4178.3-72.3170.4000113.2S200 Q201S200-L204 WeakPolarHBondContact O-CB 3.37Å; S200-L204 VanDerWaalsContact O-CG 3.29Å; S200-L204 WeakPolarHBondContact O-CG 3.39Å; S200-L204 PolarHBondContact O-N 3.2Å; Q201-L204 PolarHBondContact O-N 2.96Å
205A86.9Confident89.8Confident85 Ų8585.7 Ų85.770%0.70249%0.488SS*.Hα-helixtrans-79.3-19.7178.100000114.3Q201 L202 I203Q201-A205 VanDerWaalsContact O-CB 3.27Å; Q201-A205 WeakPolarHBondContact O-CB 3.34Å; Q201-A205 PolarHBondContact O-N 3.12Å; L202-A205 PolarHBondContact O-N 2.81Å; I203-A205 VanDerWaalsContact C-N 3.29Å; I203-A205 PolarHBondContact O-N 3.49Å
206T87.1Confident89.7Confident53 Ų5388 Ų8833%0.32550%0.502SS..Hα-helixtrans-110.5-12.1-176.1560000114.3L176 L202 I203 E208L176-T206 VanDerWaalsContact CD1-OG1 3.31Å; L176-T206 WeakPolarHBondContact CD1-OG1 3.2Å; L176-T206 HydrophobicContact CD2-CG2 4.13Å; L202-T206 HydrophobicContact CD1-CG2 4.16Å; L202-T206 WeakPolarHBondContact O-CB 3.13Å; L202-T206 WeakPolarHBondContact O-CG2 3.32Å; L202-T206 PolarHBondContact O-N 2.98Å; L202-T206 VanDerWaalsContact O-N 3.09Å; L202-T206 PolarHBondContact O-OG1 2.84Å; I203-T206 PolarHBondContact O-N 3.2Å; I203-T206 PolarHBondContact O-OG1 3.34Å; T206-E208 PolarHBondContact O-N 3.28Å
207A86.1Confident89.7Confident58 Ų5884.4 Ų84.448%0.47948%0.484SS..  trans-59.5132178.100000112.8I203I203-A207 WeakPolarHBondContact O-CB 3.4Å; I203-A207 PolarHBondContact O-N 3.35Å
208E82.9Confident89.6Confident122 Ų12281.1 Ų81.157%0.5747%0.471SS*.  trans-63.3147.1165.1-70.6-166.6163.300109.7R170 T206 L210R170-E208 WeakPolarHBondContact CD-OE1 3.49Å; R170-E208 IonicContact CZ-OE1 3.49Å; R170-E208 IonicContact NE-OE1 2.8Å; R170-E208 PolarHBondContact NE-OE1 3.32Å; T206-E208 PolarHBondContact O-N 3.28Å; E208-L210 PolarHBondContact O-N 2.83Å
209P82.1Confident89.5Confident132 Ų13283 Ų8386%0.85748%0.484SS*.  trans-61.7107.9-171.223.3-34.5000112.3C211P209-C211 PolarHBondContact O-N 3.45Å
210L84.3Confident89.5Confident141 Ų14180.7 Ų80.774%0.73848%0.475SS*.  trans-65.9128.3-176.4-63.4176.1000111.7E208 L212E208-L210 PolarHBondContact O-N 2.83Å; L210-L212 HydrophobicContact CB-CD2 4.47Å
211C86.3Confident89.4Confident90 Ų9079 Ų7961%0.60846%0.463SS*.  trans-92.5113.4171.1-163.70000109.8P209P209-C211 PolarHBondContact O-N 3.45Å
212L89.9Confident89.3Confident157 Ų15776.7 Ų76.782%0.82246%0.46SS*.  trans-102.214179.5-55.8179.5000112.7L210 P214L210-L212 HydrophobicContact CB-CD2 4.47Å; L212-P214 WeakPolarHBondContact O-CD 3.34Å
213D89.8Confident89.4Confident85 Ų8578.8 Ų78.846%0.45547%0.472SS..  trans-77.2118.7177.2-178.8-1.8000110.3S215 V218D213-S215 VanDerWaalsContact CG-CB 3.46Å; D213-S215 PolarHBondContact O-N 3.33Å; D213-S215 VanDerWaalsContact O-N 3.13Å; D213-S215 WeakPolarHBondContact OD1-CB 3.37Å; D213-S215 PolarHBondContact OD1-N 3.35Å; D213-S215 WeakPolarHBondContact OD2-CB 3.41Å; D213-V218 HydrophobicContact CB-CG2 4.28Å; D213-V218 WeakPolarHBondContact OD2-CG2 3.46Å
214P89.5Confident89.4Confident124 Ų12480.6 Ų80.681%0.80548%0.475SS*.  trans-73.36.3177.732.5-36.9000114.1L212 I216L212-P214 WeakPolarHBondContact O-CD 3.34Å; P214-I216 PolarHBondContact O-N 3.09Å
215S90.8Very high89.3Confident35 Ų3579.4 Ų79.425%0.24547%0.468CS..  trans-60127.9-179.1176.10000114.2D213 S217 V218 T219D213-S215 VanDerWaalsContact CG-CB 3.46Å; D213-S215 PolarHBondContact O-N 3.33Å; D213-S215 VanDerWaalsContact O-N 3.13Å; D213-S215 WeakPolarHBondContact OD1-CB 3.37Å; D213-S215 PolarHBondContact OD1-N 3.35Å; D213-S215 WeakPolarHBondContact OD2-CB 3.41Å; S215-S217 PolarHBondContact O-N 2.63Å; S215-S217 PolarHBondContact OG-N 3.34Å; S215-V218 WeakPolarHBondContact O-CB 3.48Å; S215-V218 PolarHBondContact O-N 3.19Å; S215-T219 PolarHBondContact O-N 3.05Å; S215-T219 VanDerWaalsContact O-N 3.08Å; S215-T219 PolarHBondContact O-OG1 3.2Å
216I91.6Very high89.5Confident89 Ų8979.4 Ų79.446%0.45646%0.456SS..Hα-helixtrans-56.8-36.9173.1-55.9174.2000110.8V4 L5 A8 P214 V218 T219 C220V4-I216 HydrophobicContact CG1-CD1 4.37Å; L5-I216 HydrophobicContact CD1-CG2 4.2Å; A8-I216 HydrophobicContact CB-CB 4.23Å; A8-I216 HydrophobicContact CB-CG2 3.82Å; P214-I216 PolarHBondContact O-N 3.09Å; I216-V218 VanDerWaalsContact C-N 3.31Å; I216-V218 PolarHBondContact O-N 3.03Å; I216-T219 WeakPolarHBondContact O-CB 3.48Å; I216-T219 PolarHBondContact O-N 3.02Å; I216-C220 WeakPolarHBondContact O-CB 3.26Å; I216-C220 PolarHBondContact O-N 3.43Å; I216-C220 PolarHBondContact O-SG 3.04Å
217S92.6Very high89.6Confident9 Ų983.8 Ų83.86%0.06347%0.467CS..Hα-helixtrans-66.2-33.1177.7-51.20000112.6A8 S215 T221A8-S217 WeakPolarHBondContact CA-OG 3.01Å; S215-S217 PolarHBondContact O-N 2.63Å; S215-S217 PolarHBondContact OG-N 3.34Å; S217-T221 WeakPolarHBondContact O-CB 3.49Å; S217-T221 PolarHBondContact O-N 3.02Å; S217-T221 PolarHBondContact O-OG1 3.15Å
218V92.6Very high89.7Confident42 Ų4283.6 Ų83.626%0.25546%0.458SS..Hα-helixtrans-68.8-44.4173.1170.80000109.9D213 S215 I216 C220 T221 A222D213-V218 HydrophobicContact CB-CG2 4.28Å; D213-V218 WeakPolarHBondContact OD2-CG2 3.46Å; S215-V218 WeakPolarHBondContact O-CB 3.48Å; S215-V218 PolarHBondContact O-N 3.19Å; I216-V218 VanDerWaalsContact C-N 3.31Å; I216-V218 PolarHBondContact O-N 3.03Å; V218-C220 PolarHBondContact O-N 3.14Å; V218-T221 WeakPolarHBondContact O-CB 3.39Å; V218-T221 PolarHBondContact O-N 3.1Å; V218-T221 VanDerWaalsContact O-N 3.16Å; V218-A222 WeakPolarHBondContact O-CB 3.46Å; V218-A222 PolarHBondContact O-N 3.17Å
219T92.1Very high89.8Confident74 Ų7482.9 Ų82.945%0.45445%0.453SS..Hα-helixtrans-58.6-45.2173.3-50.10000112.2S215 I216 T221 A222 N223S215-T219 PolarHBondContact O-N 3.05Å; S215-T219 VanDerWaalsContact O-N 3.08Å; S215-T219 PolarHBondContact O-OG1 3.2Å; I216-T219 WeakPolarHBondContact O-CB 3.48Å; I216-T219 PolarHBondContact O-N 3.02Å; T219-T221 VanDerWaalsContact C-N 3.34Å; T219-T221 PolarHBondContact O-N 3.41Å; T219-A222 PolarHBondContact O-N 2.89Å; T219-N223 WeakPolarHBondContact O-CB 3.45Å; T219-N223 VanDerWaalsContact O-CG 3.24Å; T219-N223 PolarHBondContact O-N 3.11Å; T219-N223 PolarHBondContact O-ND2 2.89Å
220C93.6Very high90Very high16 Ų1681.5 Ų81.511%0.10844%0.436CS..Hα-helixtrans-60.2-41.9174.3-720000112L9 A12 I216 V218 R224L9-C220 HydrophobicContact CD2-CB 4.2Å; A12-C220 HydrophobicContact CB-CB 3.65Å; I216-C220 WeakPolarHBondContact O-CB 3.26Å; I216-C220 PolarHBondContact O-N 3.43Å; I216-C220 PolarHBondContact O-SG 3.04Å; V218-C220 PolarHBondContact O-N 3.14Å; C220-R224 VanDerWaalsContact O-CB 3.3Å; C220-R224 WeakPolarHBondContact O-CB 3.32Å; C220-R224 PolarHBondContact O-N 2.82Å
221T92.9Very high90.2Very high16 Ų1679.6 Ų79.610%0.09842%0.421CS..Hα-helixtrans-64.6-49.3177.1-57.20000111.3A12 I15 V16 S217 V218 T219 N223 R224 L225A12-T221 WeakPolarHBondContact CA-OG1 3.45Å; A12-T221 WeakPolarHBondContact CB-OG1 3.5Å; I15-T221 HydrophobicContact CG2-CG2 3.91Å; V16-T221 HydrophobicContact CG2-CG2 4.18Å; S217-T221 WeakPolarHBondContact O-CB 3.49Å; S217-T221 PolarHBondContact O-N 3.02Å; S217-T221 PolarHBondContact O-OG1 3.15Å; V218-T221 WeakPolarHBondContact O-CB 3.39Å; V218-T221 PolarHBondContact O-N 3.1Å; V218-T221 VanDerWaalsContact O-N 3.16Å; T219-T221 VanDerWaalsContact C-N 3.34Å; T219-T221 PolarHBondContact O-N 3.41Å; T221-N223 PolarHBondContact O-N 3.22Å; T221-R224 PolarHBondContact O-N 2.83Å; T221-L225 HydrophobicContact CG2-CD1 4.14Å; T221-L225 WeakPolarHBondContact O-CG 3.46Å; T221-L225 PolarHBondContact O-N 2.77Å
222A92.4Very high90Very high51 Ų5180.7 Ų80.742%0.42142%0.419SS..Hα-helixtrans-59.3-46.1177.900000111.5V218 T219 R224 L225 L226V218-A222 WeakPolarHBondContact O-CB 3.46Å; V218-A222 PolarHBondContact O-N 3.17Å; T219-A222 PolarHBondContact O-N 2.89Å; A222-R224 PolarHBondContact O-N 2.83Å; A222-L225 PolarHBondContact O-N 3.29Å; A222-L226 WeakPolarHBondContact O-CB 3.19Å; A222-L226 PolarHBondContact O-N 3.09Å
223N92.3Very high89.7Confident87 Ų8775.7 Ų75.747%0.46539%0.393SS..Hα-helixtrans-62.8-39.5176.1-72.7-20000112.4T219 T221 L226 Y227T219-N223 WeakPolarHBondContact O-CB 3.45Å; T219-N223 VanDerWaalsContact O-CG 3.24Å; T219-N223 PolarHBondContact O-N 3.11Å; T219-N223 PolarHBondContact O-ND2 2.89Å; T221-N223 PolarHBondContact O-N 3.22Å; N223-L226 PolarHBondContact O-N 3.47Å; N223-Y227 VanDerWaalsContact O-CB 3.27Å; N223-Y227 WeakPolarHBondContact O-CB 3.44Å; N223-Y227 PolarHBondContact O-N 2.79Å
224R91.3Very high89.6Confident103 Ų10374.4 Ų74.439%0.38939%0.388SS..Hα-helixtrans-65.1-38.4175.5-175.163.8157-176.3-9111.9E13 V16 C220 T221 A222 N228E13-R224 IonicContact OE1-CZ 3.51Å; E13-R224 IonicContact OE1-NE 3.82Å; E13-R224 PolarHBondContact OE1-NE 3.2Å; E13-R224 IonicContact OE1-NH2 3.93Å; E13-R224 PolarHBondContact OE1-NH2 3.46Å; E13-R224 IonicContact OE2-NH2 3.2Å; V16-R224 HydrophobicContact CG2-CG 4.32Å; C220-R224 VanDerWaalsContact O-CB 3.3Å; C220-R224 WeakPolarHBondContact O-CB 3.32Å; C220-R224 PolarHBondContact O-N 2.82Å; T221-R224 PolarHBondContact O-N 2.83Å; A222-R224 PolarHBondContact O-N 2.83Å; R224-N228 WeakPolarHBondContact O-CB 3.44Å; R224-N228 PolarHBondContact O-N 3.31Å; R224-N228 PolarHBondContact O-ND2 2.93Å
225L89.3Confident89.4Confident98 Ų9879.6 Ų79.651%0.51339%0.392SS..Hα-helixtrans-70.4-46.5175.3-68.5171.9000111.6V16 T221 A222 Y227 N228 K229V16-L225 HydrophobicContact CG2-CD2 4.34Å; T221-L225 HydrophobicContact CG2-CD1 4.14Å; T221-L225 WeakPolarHBondContact O-CG 3.46Å; T221-L225 PolarHBondContact O-N 2.77Å; A222-L225 PolarHBondContact O-N 3.29Å; L225-Y227 PolarHBondContact O-N 3.47Å; L225-N228 PolarHBondContact O-N 2.87Å; L225-N228 VanDerWaalsContact O-N 3.1Å; L225-K229 PolarHBondContact O-N 2.8Å
226L89.5Confident89.1Confident86 Ų8682.4 Ų82.445%0.4541%0.411SS..Hα-helixtrans-59-47.3177.3-175.964.4000111.7A222 N223 N228 K229 Q230A222-L226 WeakPolarHBondContact O-CB 3.19Å; A222-L226 PolarHBondContact O-N 3.09Å; N223-L226 PolarHBondContact O-N 3.47Å; L226-N228 VanDerWaalsContact C-N 3.3Å; L226-N228 PolarHBondContact O-N 3.46Å; L226-K229 PolarHBondContact O-N 3.1Å; L226-Q230 HydrophobicContact CD1-CG 4.15Å; L226-Q230 WeakPolarHBondContact O-CB 3.15Å; L226-Q230 PolarHBondContact O-N 3.05Å
227Y90.5Very high88.9Confident144 Ų14481.1 Ų81.157%0.56540%0.404SS*.Hα-helixtrans-56.8-43.6173.2175.4-97.5000111.7N223 L225 K229 Q230 K231N223-Y227 VanDerWaalsContact O-CB 3.27Å; N223-Y227 WeakPolarHBondContact O-CB 3.44Å; N223-Y227 PolarHBondContact O-N 2.79Å; L225-Y227 PolarHBondContact O-N 3.47Å; Y227-K229 PolarHBondContact O-N 2.78Å; Y227-Q230 PolarHBondContact O-N 2.88Å; Y227-K231 HydrophobicContact CE1-CB 4.39Å; Y227-K231 HydrophobicContact CE2-CB 4.4Å; Y227-K231 VanDerWaalsContact O-CB 3.3Å; Y227-K231 WeakPolarHBondContact O-CB 3.47Å; Y227-K231 PolarHBondContact O-N 2.64Å
228N87.4Confident88.6Confident54 Ų5484.5 Ų84.529%0.28942%0.418SS..Hα-helixtrans-65.9-34.7178.3-82.2-53.1000113.3R224 L225 L226R224-N228 WeakPolarHBondContact O-CB 3.44Å; R224-N228 PolarHBondContact O-N 3.31Å; R224-N228 PolarHBondContact O-ND2 2.93Å; L225-N228 PolarHBondContact O-N 2.87Å; L225-N228 VanDerWaalsContact O-N 3.1Å; L226-N228 VanDerWaalsContact C-N 3.3Å; L226-N228 PolarHBondContact O-N 3.46Å
229K85.6Confident88.3Confident107 Ų10790.9 Ų90.947%0.46544%0.437SS..Hα-helixtrans-70-39.8171-176.8168.3175.4170.30111.8A120 E121 L225 L226 Y227A120-K229 PolarHBondContact O-NZ 3.34Å; E121-K229 IonicContact OE2-NZ 2.63Å; E121-K229 PolarHBondContact OE2-NZ 2.85Å; L225-K229 PolarHBondContact O-N 2.8Å; L226-K229 PolarHBondContact O-N 3.1Å; Y227-K229 PolarHBondContact O-N 2.78Å
230Q86.3Confident88.1Confident104 Ų10489.2 Ų89.249%0.48643%0.428SS..Hα-helixtrans-98.7-9.7-168.8-66-171.3-8.800116.4L226 Y227 M232 N233 T234L226-Q230 HydrophobicContact CD1-CG 4.15Å; L226-Q230 WeakPolarHBondContact O-CB 3.15Å; L226-Q230 PolarHBondContact O-N 3.05Å; Y227-Q230 PolarHBondContact O-N 2.88Å; Q230-M232 VanDerWaalsContact C-N 3.26Å; Q230-M232 PolarHBondContact O-N 3.36Å; Q230-M232 VanDerWaalsContact O-N 3.07Å; Q230-N233 CarbonylContact O-C 3.59Å; Q230-N233 WeakPolarHBondContact O-CA 3.24Å; Q230-N233 PolarHBondContact O-N 2.75Å; Q230-T234 WeakPolarHBondContact O-CG2 3.26Å; Q230-T234 PolarHBondContact O-N 3.2Å
231K87.4Confident87.6Confident101 Ų10193.9 Ų93.944%0.43945%0.447SS..THydrogen-bonded Turntrans-52.7-34.2-174.162.1-176179.9-1770115.6Y227Y227-K231 HydrophobicContact CE1-CB 4.39Å; Y227-K231 HydrophobicContact CE2-CB 4.4Å; Y227-K231 VanDerWaalsContact O-CB 3.3Å; Y227-K231 WeakPolarHBondContact O-CB 3.47Å; Y227-K231 PolarHBondContact O-N 2.64Å
232M82Confident87.2Confident112 Ų11298.5 Ų98.555%0.55247%0.466SS*.THydrogen-bonded Turntrans-92.3-12.8175.4-56.3-50.1-64.700113.3Q230 M237 F241Q230-M232 VanDerWaalsContact C-N 3.26Å; Q230-M232 PolarHBondContact O-N 3.36Å; Q230-M232 VanDerWaalsContact O-N 3.07Å; M232-M237 HydrophobicContact CE-CE 4.04Å; M232-M237 WeakPolarHBondContact O-CB 3.43Å; M232-F241 HydrophobicContact CE-CZ 4.43Å
233N83.9Confident86.8Confident53 Ų53102.1 Ų102.128%0.28347%0.469SS..SBendtrans-103.613-168.9-148.2-14.5000112.4D119 Q230 K238D119-N233 PolarHBondContact O-ND2 2.94Å; Q230-N233 CarbonylContact O-C 3.59Å; Q230-N233 WeakPolarHBondContact O-CA 3.24Å; Q230-N233 PolarHBondContact O-N 2.75Å; N233-K238 WeakPolarHBondContact OD1-CE 3.27Å; N233-K238 PolarHBondContact OD1-NZ 3.26Å
234T87.6Confident86.3Confident58 Ų58102 Ų10236%0.35647%0.465SS..SBendtrans-69.7156.1-177.573.40000112.2Q230 S236 M237 K238Q230-T234 WeakPolarHBondContact O-CG2 3.26Å; Q230-T234 PolarHBondContact O-N 3.2Å; T234-S236 PolarHBondContact O-N 3.33Å; T234-M237 PolarHBondContact O-N 2.9Å; T234-M237 WeakPolarHBondContact OG1-CG 3.33Å; T234-M237 PolarHBondContact OG1-N 3.15Å; T234-K238 PolarHBondContact O-N 3.45Å
235R86.2Confident85.9Confident233 Ų23399.1 Ų99.188%0.87946%0.46SS*.Hα-helixtrans-55.3-36.7178.6-71.5-172.6-177.3-100.22.9112.9R239R235-R239 VanDerWaalsContact O-CB 3.26Å; R235-R239 WeakPolarHBondContact O-CB 3.45Å; R235-R239 PolarHBondContact O-N 2.89Å
236S84.6Confident85.4Confident93 Ų93102.1 Ų102.165%0.6547%0.465SS*.Hα-helixtrans-68-43.6176.7-58.70000112.1T234 R239 C240T234-S236 PolarHBondContact O-N 3.33Å; S236-R239 PolarHBondContact O-N 3.16Å; S236-C240 WeakPolarHBondContact O-CB 3.4Å; S236-C240 PolarHBondContact O-N 3.45Å
237M86.9Confident84.9Confident62 Ų6298.6 Ų98.631%0.30545%0.448SS..Hα-helixtrans-66.2-47.6176-66.2-56.4-69.300111.4M232 T234 R239 C240 F241M232-M237 HydrophobicContact CE-CE 4.04Å; M232-M237 WeakPolarHBondContact O-CB 3.43Å; T234-M237 PolarHBondContact O-N 2.9Å; T234-M237 WeakPolarHBondContact OG1-CG 3.33Å; T234-M237 PolarHBondContact OG1-N 3.15Å; M237-R239 VanDerWaalsContact C-N 3.27Å; M237-R239 PolarHBondContact O-N 3.09Å; M237-C240 WeakPolarHBondContact O-CB 3.32Å; M237-C240 PolarHBondContact O-N 3.05Å; M237-F241 HydrophobicContact CB-CD2 4.31Å; M237-F241 HydrophobicContact CB-CE2 3.94Å; M237-F241 HydrophobicContact CE-CE1 4.17Å; M237-F241 HydrophobicContact CE-CE2 3.99Å; M237-F241 HydrophobicContact CE-CZ 3.54Å; M237-F241 WeakPolarHBondContact O-CD2 3.16Å; M237-F241 WeakPolarHBondContact O-CG 3.34Å; M237-F241 PolarHBondContact O-N 2.99Å
238K86.6Confident84.5Confident80 Ų8092.7 Ų92.735%0.34843%0.429SS..Hα-helixtrans-52.9-43.9172.4-72.3-158.1177.8-156.80111.9N233 T234 K242N233-K238 WeakPolarHBondContact OD1-CE 3.27Å; N233-K238 PolarHBondContact OD1-NZ 3.26Å; T234-K238 PolarHBondContact O-N 3.45Å; K238-K242 VanDerWaalsContact O-CB 3.23Å; K238-K242 WeakPolarHBondContact O-CB 3.41Å; K238-K242 PolarHBondContact O-N 3.5Å
239R86.7Confident84.4Confident176 Ų17692.9 Ų92.966%0.66443%0.43SS*.Hα-helixtrans-66.9-36.7178.3-162.4178.8-146.8165.66.3112.4R235 S236 M237 R243R235-R239 VanDerWaalsContact O-CB 3.26Å; R235-R239 WeakPolarHBondContact O-CB 3.45Å; R235-R239 PolarHBondContact O-N 2.89Å; S236-R239 PolarHBondContact O-N 3.16Å; M237-R239 VanDerWaalsContact C-N 3.27Å; M237-R239 PolarHBondContact O-N 3.09Å; R239-R243 WeakPolarHBondContact O-CG 3.35Å; R239-R243 PolarHBondContact O-N 3.44Å
240C86.9Confident84.2Confident40 Ų4089.4 Ų89.427%0.2742%0.416SS..Hα-helixtrans-66.7-55174.7-164.30000111.1S236 M237 K242 R243 H244S236-C240 WeakPolarHBondContact O-CB 3.4Å; S236-C240 PolarHBondContact O-N 3.45Å; M237-C240 WeakPolarHBondContact O-CB 3.32Å; M237-C240 PolarHBondContact O-N 3.05Å; C240-K242 VanDerWaalsContact C-N 3.28Å; C240-K242 PolarHBondContact O-N 3.04Å; C240-R243 PolarHBondContact O-N 3.32Å; C240-R243 VanDerWaalsContact O-N 3.12Å; C240-H244 PolarHBondContact O-CD2 3.1Å; C240-H244 VanDerWaalsContact O-CD2 3.29Å; C240-H244 PolarHBondContact O-N 2.96Å; C240-H244 VanDerWaalsContact O-N 3.11Å
241F84.4Confident84Confident114 Ų11490.4 Ų90.450%0.542%0.416SS..Hα-helixtrans-57.9-38.4177.5-62.6-45000112.3M232 M237 H244 S245M232-F241 HydrophobicContact CE-CZ 4.43Å; M237-F241 HydrophobicContact CB-CD2 4.31Å; M237-F241 HydrophobicContact CB-CE2 3.94Å; M237-F241 HydrophobicContact CE-CE1 4.17Å; M237-F241 HydrophobicContact CE-CE2 3.99Å; M237-F241 HydrophobicContact CE-CZ 3.54Å; M237-F241 WeakPolarHBondContact O-CD2 3.16Å; M237-F241 WeakPolarHBondContact O-CG 3.34Å; M237-F241 PolarHBondContact O-N 2.99Å; F241-H244 CarbonylContact O-C 3.58Å; F241-H244 PolarHBondContact O-N 3.39Å; F241-S245 WeakPolarHBondContact O-CA 3.44Å; F241-S245 WeakPolarHBondContact O-CB 3.47Å; F241-S245 PolarHBondContact O-N 3.45Å
242K84.2Confident83.8Confident112 Ų11290.6 Ų90.649%0.48742%0.418SS..Hα-helixtrans-65.1-41.5175.8-171.4168.7-176.71720112.7R112 K238 C240 S245 A248R112-K242 VanDerWaalsContact CZ-NZ 3.33Å; K238-K242 VanDerWaalsContact O-CB 3.23Å; K238-K242 WeakPolarHBondContact O-CB 3.41Å; K238-K242 PolarHBondContact O-N 3.5Å; C240-K242 VanDerWaalsContact C-N 3.28Å; C240-K242 PolarHBondContact O-N 3.04Å; K242-S245 WeakPolarHBondContact O-CB 3.4Å; K242-S245 PolarHBondContact O-N 3.33Å; K242-S245 PolarHBondContact O-OG 3.05Å; K242-A248 WeakPolarHBondContact O-CB 3.42Å
243R83.8Confident83.9Confident128 Ų12890.5 Ų90.548%0.48342%0.417SS..Hα-helixtrans-62.9-40.9176.3-75.9172.9-179175.41.3112.8R239 C240 A248 Q252R239-R243 WeakPolarHBondContact O-CG 3.35Å; R239-R243 PolarHBondContact O-N 3.44Å; C240-R243 PolarHBondContact O-N 3.32Å; C240-R243 VanDerWaalsContact O-N 3.12Å; R243-A248 WeakPolarHBondContact O-CB 3.42Å; R243-Q252 PolarHBondContact O-NE2 2.9Å
244H82.3Confident83.7Confident85 Ų8593.4 Ų93.439%0.39443%0.428SS..THydrogen-bonded Turntrans-95.49.4-177.7-60.5-64.1000113C240 F241 L249 Q298C240-H244 PolarHBondContact O-CD2 3.1Å; C240-H244 VanDerWaalsContact O-CD2 3.29Å; C240-H244 PolarHBondContact O-N 2.96Å; C240-H244 VanDerWaalsContact O-N 3.11Å; F241-H244 CarbonylContact O-C 3.58Å; F241-H244 PolarHBondContact O-N 3.39Å; H244-L249 WeakPolarHBondContact O-CD1 3.22Å; H244-Q298 VanDerWaalsContact NE2-CD 3.35Å; H244-Q298 PolarHBondContact NE2-NE2 2.96Å
245S82.6Confident83.3Confident41 Ų4196.3 Ų96.329%0.28744%0.441SS..SBendtrans-67.6148.617568.10000110.4F241 K242 A247 A248 L249F241-S245 WeakPolarHBondContact O-CA 3.44Å; F241-S245 WeakPolarHBondContact O-CB 3.47Å; F241-S245 PolarHBondContact O-N 3.45Å; K242-S245 WeakPolarHBondContact O-CB 3.4Å; K242-S245 PolarHBondContact O-N 3.33Å; K242-S245 PolarHBondContact O-OG 3.05Å; S245-A247 VanDerWaalsContact C-N 3.28Å; S245-A247 PolarHBondContact O-N 2.8Å; S245-A248 PolarHBondContact O-N 2.87Å; S245-A248 VanDerWaalsContact OG-CB 3.28Å; S245-A248 WeakPolarHBondContact OG-CB 3.48Å; S245-A248 PolarHBondContact OG-N 3.26Å; S245-L249 PolarHBondContact O-N 3.46Å
246R78.6Confident82.7Confident161 Ų16189.3 Ų89.361%0.60843%0.428SS*.Hα-helixtrans-58.8-39.6-176.7-165169.1-177.7107.5-0.9112.4L249 N250R246-L249 PolarHBondContact O-N 2.73Å; R246-N250 WeakPolarHBondContact O-CB 3.42Å; R246-N250 PolarHBondContact O-N 2.88Å; R246-N250 PolarHBondContact O-ND2 2.94Å; R246-N250 PolarHBondContact O-OD1 2.84Å
247A78.2Confident82.2Confident12 Ų1291.5 Ų91.510%0.09943%0.428CS..Hα-helixtrans-61.4-42.2172.800000112.8S245 N250 R251S245-A247 VanDerWaalsContact C-N 3.28Å; S245-A247 PolarHBondContact O-N 2.8Å; A247-N250 PolarHBondContact O-N 3.07Å; A247-R251 WeakPolarHBondContact O-CB 3.44Å; A247-R251 WeakPolarHBondContact O-CD 3.29Å; A247-R251 VanDerWaalsContact O-CG 3.23Å; A247-R251 WeakPolarHBondContact O-CG 3.3Å; A247-R251 PolarHBondContact O-N 3.34Å
248A83.1Confident81.7Confident21 Ų2193.8 Ų93.817%0.17444%0.44CS..Hα-helixtrans-70.6-34.4177.700000113.5K242 R243 S245 Q252K242-A248 WeakPolarHBondContact O-CB 3.42Å; R243-A248 WeakPolarHBondContact O-CB 3.42Å; S245-A248 PolarHBondContact O-N 2.87Å; S245-A248 VanDerWaalsContact OG-CB 3.28Å; S245-A248 WeakPolarHBondContact OG-CB 3.48Å; S245-A248 PolarHBondContact OG-N 3.26Å; A248-Q252 VanDerWaalsContact O-CG 3.3Å; A248-Q252 WeakPolarHBondContact O-CG 3.41Å; A248-Q252 PolarHBondContact O-N 2.86Å; A248-Q252 VanDerWaalsContact O-N 3.08Å; A248-Q252 PolarHBondContact O-NE2 2.94Å
249L84.3Confident81.1Confident57 Ų5795.5 Ų95.530%0.29846%0.46SS..Hα-helixtrans-69.6-41.7173.7-69.4172.3000111.3H244 S245 R246 Q252 Q253H244-L249 WeakPolarHBondContact O-CD1 3.22Å; S245-L249 PolarHBondContact O-N 3.46Å; R246-L249 PolarHBondContact O-N 2.73Å; L249-Q252 WeakPolarHBondContact O-CB 3.31Å; L249-Q252 PolarHBondContact O-N 2.75Å; L249-Q252 VanDerWaalsContact O-N 3.15Å; L249-Q253 PolarHBondContact O-N 3.15Å
250N81.9Confident80.3Confident34 Ų3490 Ų9018%0.18245%0.446CS..Hα-helixtrans-63.8-43.4176.6-68.5-13.4000111.2N84 R246 A247 Q252 Q253 E254N84-N250 PolarHBondContact ND2-ND2 2.95Å; N84-N250 PolarHBondContact OD1-ND2 3.36Å; R246-N250 WeakPolarHBondContact O-CB 3.42Å; R246-N250 PolarHBondContact O-N 2.88Å; R246-N250 PolarHBondContact O-ND2 2.94Å; R246-N250 PolarHBondContact O-OD1 2.84Å; A247-N250 PolarHBondContact O-N 3.07Å; N250-Q252 VanDerWaalsContact C-N 3.32Å; N250-Q252 PolarHBondContact O-N 2.88Å; N250-Q253 WeakPolarHBondContact O-CB 3.48Å; N250-Q253 PolarHBondContact O-N 2.96Å; N250-Q253 VanDerWaalsContact O-N 3.11Å; N250-E254 WeakPolarHBondContact O-CG 3.27Å; N250-E254 PolarHBondContact O-N 2.81Å
251R81.5Confident79.7Confident126 Ų12691.3 Ų91.348%0.47545%0.453SS..Hα-helixtrans-59.1-39.1170.8-71.5161.4175.7-100.8-5.5112.9E110 A247 L255E110-R251 IonicContact OE1-CZ 2.81Å; E110-R251 VanDerWaalsContact OE1-CZ 3.24Å; E110-R251 IonicContact OE1-NE 2.72Å; E110-R251 PolarHBondContact OE1-NE 3.16Å; E110-R251 IonicContact OE1-NH2 3.24Å; E110-R251 PolarHBondContact OE1-NH2 2.92Å; A247-R251 WeakPolarHBondContact O-CB 3.44Å; A247-R251 WeakPolarHBondContact O-CD 3.29Å; A247-R251 VanDerWaalsContact O-CG 3.23Å; A247-R251 WeakPolarHBondContact O-CG 3.3Å; A247-R251 PolarHBondContact O-N 3.34Å; R251-L255 VanDerWaalsContact O-CB 3.31Å; R251-L255 WeakPolarHBondContact O-CB 3.41Å; R251-L255 WeakPolarHBondContact O-CD1 3.49Å; R251-L255 WeakPolarHBondContact O-CG 3.22Å; R251-L255 PolarHBondContact O-N 3.25Å
252Q83.8Confident79.2Confident104 Ų10490.2 Ų90.249%0.48646%0.458SS..Hα-helixtrans-66.4-38174.8-76.6166.652.600111.6R243 A248 L249 N250 S256R243-Q252 PolarHBondContact O-NE2 2.9Å; A248-Q252 VanDerWaalsContact O-CG 3.3Å; A248-Q252 WeakPolarHBondContact O-CG 3.41Å; A248-Q252 PolarHBondContact O-N 2.86Å; A248-Q252 VanDerWaalsContact O-N 3.08Å; A248-Q252 PolarHBondContact O-NE2 2.94Å; L249-Q252 WeakPolarHBondContact O-CB 3.31Å; L249-Q252 PolarHBondContact O-N 2.75Å; L249-Q252 VanDerWaalsContact O-N 3.15Å; N250-Q252 VanDerWaalsContact C-N 3.32Å; N250-Q252 PolarHBondContact O-N 2.88Å; Q252-S256 WeakPolarHBondContact O-CB 3.32Å; Q252-S256 PolarHBondContact O-N 3.45Å
253Q83.2Confident78.8Confident111 Ų11192.5 Ų92.552%0.51947%0.47SS..Hα-helixtrans-65.8-50174.9-176.8174.4-7.700111.4L249 N250 L255 S256 H257L249-Q253 PolarHBondContact O-N 3.15Å; N250-Q253 WeakPolarHBondContact O-CB 3.48Å; N250-Q253 PolarHBondContact O-N 2.96Å; N250-Q253 VanDerWaalsContact O-N 3.11Å; Q253-L255 VanDerWaalsContact C-N 3.34Å; Q253-L255 PolarHBondContact O-N 2.94Å; Q253-S256 WeakPolarHBondContact CA-OG 3.2Å; Q253-S256 PolarHBondContact O-N 2.89Å; Q253-S256 PolarHBondContact O-OG 3Å; Q253-H257 WeakPolarHBondContact CG-NE2 3.43Å; Q253-H257 PolarHBondContact NE2-NE2 3.22Å; Q253-H257 PolarHBondContact O-CD2 3.33Å; Q253-H257 PolarHBondContact O-N 3.13Å; Q253-H257 VanDerWaalsContact O-N 3.1Å
254E81.3Confident78.4Confident114 Ų11491 Ų9153%0.53347%0.471SS..Hα-helixtrans-53.3-49.1174.4-71.8163.1-177.100111.6N250 S256 H257 L258N250-E254 WeakPolarHBondContact O-CG 3.27Å; N250-E254 PolarHBondContact O-N 2.81Å; E254-S256 VanDerWaalsContact C-N 3.31Å; E254-S256 PolarHBondContact O-N 3.2Å; E254-H257 PolarHBondContact O-N 3.09Å; E254-L258 PolarHBondContact O-N 3.01Å
255L77.6Confident78.2Confident119 Ų11994.8 Ų94.862%0.62348%0.482SS*.Hα-helixtrans-65-30.3176.2-71.1169.4000113.1R251 Q253 H257 L258R251-L255 VanDerWaalsContact O-CB 3.31Å; R251-L255 WeakPolarHBondContact O-CB 3.41Å; R251-L255 WeakPolarHBondContact O-CD1 3.49Å; R251-L255 WeakPolarHBondContact O-CG 3.22Å; R251-L255 PolarHBondContact O-N 3.25Å; Q253-L255 VanDerWaalsContact C-N 3.34Å; Q253-L255 PolarHBondContact O-N 2.94Å; L255-H257 VanDerWaalsContact C-N 3.33Å; L255-L258 HydrophobicContact CD2-CD1 4.39Å; L255-L258 PolarHBondContact O-N 3.17Å
256S74.8Confident77.8Confident86 Ų8698.6 Ų98.660%0.60150%0.499SS*.Hα-helixtrans-74.5-21.5176.676.60000113.8Q252 Q253 E254Q252-S256 WeakPolarHBondContact O-CB 3.32Å; Q252-S256 PolarHBondContact O-N 3.45Å; Q253-S256 WeakPolarHBondContact CA-OG 3.2Å; Q253-S256 PolarHBondContact O-N 2.89Å; Q253-S256 PolarHBondContact O-OG 3Å; E254-S256 VanDerWaalsContact C-N 3.31Å; E254-S256 PolarHBondContact O-N 3.2Å
257H73.8Confident77.7Confident139 Ų13998.6 Ų98.664%0.64450%0.5SS*.Hα-helixtrans-83.3-12.6172.2-67.3-57.4000112.8Q253 E254 L255Q253-H257 WeakPolarHBondContact CG-NE2 3.43Å; Q253-H257 PolarHBondContact NE2-NE2 3.22Å; Q253-H257 PolarHBondContact O-CD2 3.33Å; Q253-H257 PolarHBondContact O-N 3.13Å; Q253-H257 VanDerWaalsContact O-N 3.1Å; E254-H257 PolarHBondContact O-N 3.09Å; L255-H257 VanDerWaalsContact C-N 3.33Å
258L76.2Confident77.5Confident110 Ų110100.3 Ų100.358%0.57651%0.507SS*.SBendtrans-88.6143.7175.6-68.3172.9000111.5E254 L255 V260E254-L258 PolarHBondContact O-N 3.01Å; L255-L258 HydrophobicContact CD2-CD1 4.39Å; L255-L258 PolarHBondContact O-N 3.17Å; L258-V260 PolarHBondContact O-N 2.71Å
259P73.7Confident77.2Confident116 Ų116105.2 Ų105.275%0.75352%0.522SS*.PPolyproline II helixtrans-65.5131.9177.127-33.9000111
260V70.5Confident76.9Confident61 Ų61107.2 Ų107.237%0.3753%0.533SS..PPolyproline II helixtrans-53.8124.4-178.2178.10000110.6L258 L264 D268L258-V260 PolarHBondContact O-N 2.71Å; V260-L264 HydrophobicContact CG1-CB 3.95Å; V260-D268 HydrophobicContact CG1-CB 4.45Å
261P74.9Confident76.6Confident66 Ų66109.4 Ų109.443%0.42954%0.542SS..PPolyproline II helixtrans-51.9139.2177.9-29.235.5000111.8Q263 L264P261-Q263 PolarHBondContact O-N 2.87Å; P261-L264 HydrophobicContact CG-CD1 4.45Å; P261-L264 PolarHBondContact O-N 3.1Å
262P72.7Confident76.4Confident92 Ų92108 Ų10860%0.59754%0.539SS*.G310 helixtrans-49.4-35.9-176.3-30.235.7000114.3L264P262-L264 VanDerWaalsContact C-N 3.26Å; P262-L264 PolarHBondContact O-N 3.15Å
263Q76.3Confident75.8Confident160 Ų160110.5 Ų110.575%0.74854%0.544SS*.G310 helixtrans-65.1-21.9180-56.383.2-6.500113.9P261P261-Q263 PolarHBondContact O-N 2.87Å
264L75.5Confident75.1Confident96 Ų96113.3 Ų113.350%0.50355%0.554SS.*G310 helixtrans-106.9-1.3-174.3-62.9179.6000114V260 P261 P262 L266 Y267 D268V260-L264 HydrophobicContact CG1-CB 3.95Å; P261-L264 HydrophobicContact CG-CD1 4.45Å; P261-L264 PolarHBondContact O-N 3.1Å; P262-L264 VanDerWaalsContact C-N 3.26Å; P262-L264 PolarHBondContact O-N 3.15Å; L264-L266 VanDerWaalsContact C-N 3.26Å; L264-L266 PolarHBondContact O-N 2.87Å; L264-Y267 WeakPolarHBondContact O-CB 3.23Å; L264-Y267 PolarHBondContact O-N 2.9Å; L264-D268 PolarHBondContact O-N 3.04Å; L264-D268 VanDerWaalsContact O-N 3.11Å
265R77.1Confident74.1Confident165 Ų165113.8 Ų113.862%0.62356%0.557SS**Hα-helixtrans-56.8-35.1-178.7-70.3-179.1174.7-173.2-1.5113.7Y269R265-Y269 WeakPolarHBondContact O-CB 3.23Å; R265-Y269 PolarHBondContact O-N 3.5Å
266L75.1Confident73.3Confident121 Ų121118.5 Ų118.563%0.63457%0.566SS**Hα-helixtrans-68.2-39.9176.9179.559.9000112.1L264 Y269 L270L264-L266 VanDerWaalsContact C-N 3.26Å; L264-L266 PolarHBondContact O-N 2.87Å; L266-Y269 PolarHBondContact O-N 2.9Å; L266-L270 HydrophobicContact CD1-CD1 4.24Å; L266-L270 HydrophobicContact CD1-CG 4.3Å; L266-L270 HydrophobicContact CG-CD1 4.15Å; L266-L270 WeakPolarHBondContact O-CB 3.28Å; L266-L270 VanDerWaalsContact O-CG 3.27Å; L266-L270 WeakPolarHBondContact O-CG 3.17Å; L266-L270 PolarHBondContact O-N 3.06Å
267Y76.3Confident72.3Confident161 Ų161122.1 Ų122.163%0.63157%0.571SS**Hα-helixtrans-63.9-46.9177179.2-85.8000111L264 L270 Q271L264-Y267 WeakPolarHBondContact O-CB 3.23Å; L264-Y267 PolarHBondContact O-N 2.9Å; Y267-L270 PolarHBondContact O-N 3.11Å; Y267-Q271 WeakPolarHBondContact O-CB 3.45Å; Y267-Q271 PolarHBondContact O-N 2.86Å
268D74.5Confident70.8Confident47 Ų47121.3 Ų121.325%0.25158%0.578SS.*Hα-helixtrans-60.3-44.2175.4175.753.5000112.4V260 L264 L270 Q271 K272V260-D268 HydrophobicContact CG1-CB 4.45Å; L264-D268 PolarHBondContact O-N 3.04Å; L264-D268 VanDerWaalsContact O-N 3.11Å; D268-L270 PolarHBondContact O-N 3Å; D268-Q271 PolarHBondContact O-N 3.39Å; D268-K272 WeakPolarHBondContact O-CB 3.43Å; D268-K272 WeakPolarHBondContact O-CG 3.44Å; D268-K272 PolarHBondContact O-N 2.93Å; D268-K272 WeakPolarHBondContact OD1-CD 3.27Å; D268-K272 WeakPolarHBondContact OD1-CE 3.4Å; D268-K272 IonicContact OD1-NZ 2.7Å; D268-K272 PolarHBondContact OD1-NZ 3.39Å; D268-K272 IonicContact OD2-NZ 2.62Å; D268-K272 PolarHBondContact OD2-NZ 3.35Å
269Y76.8Confident69.5Low125 Ų125120.2 Ų120.249%0.4959%0.585SS.*Hα-helixtrans-59.1-45.2173.7173-91.6000112.4R265 L266 K272 R273R265-Y269 WeakPolarHBondContact O-CB 3.23Å; R265-Y269 PolarHBondContact O-N 3.5Å; L266-Y269 PolarHBondContact O-N 2.9Å; Y269-K272 PolarHBondContact O-N 3.5Å; Y269-R273 VanDerWaalsContact O-CB 3.32Å; Y269-R273 WeakPolarHBondContact O-CB 3.47Å; Y269-R273 PolarHBondContact O-N 2.93Å; Y269-R273 PolarHBondContact OH-NH1 3.48Å; Y269-R273 VanDerWaalsContact OH-NH1 3.15Å
270L78.1Confident68.1Low99 Ų99119.5 Ų119.552%0.51858%0.58SS.*Hα-helixtrans-66.5-38.9178.4-71.3170.6000112L266 Y267 D268 R273 K274L266-L270 HydrophobicContact CD1-CD1 4.24Å; L266-L270 HydrophobicContact CD1-CG 4.3Å; L266-L270 HydrophobicContact CG-CD1 4.15Å; L266-L270 WeakPolarHBondContact O-CB 3.28Å; L266-L270 VanDerWaalsContact O-CG 3.27Å; L266-L270 WeakPolarHBondContact O-CG 3.17Å; L266-L270 PolarHBondContact O-N 3.06Å; Y267-L270 PolarHBondContact O-N 3.11Å; D268-L270 PolarHBondContact O-N 3Å; L270-R273 PolarHBondContact O-N 3.1Å; L270-K274 WeakPolarHBondContact O-CB 3.37Å; L270-K274 PolarHBondContact O-N 3.19Å
271Q75.2Confident66.8Low79 Ų79123.7 Ų123.737%0.36961%0.605SS.*Hα-helixtrans-65.2-48.7174.9-179.6166.4-19.400111.4Y267 D268 R273 K274 E275Y267-Q271 WeakPolarHBondContact O-CB 3.45Å; Y267-Q271 PolarHBondContact O-N 2.86Å; D268-Q271 PolarHBondContact O-N 3.39Å; Q271-R273 VanDerWaalsContact C-N 3.26Å; Q271-R273 PolarHBondContact O-N 3.18Å; Q271-K274 WeakPolarHBondContact O-CA 3.47Å; Q271-K274 WeakPolarHBondContact O-CB 3.32Å; Q271-K274 PolarHBondContact O-N 2.84Å; Q271-E275 WeakPolarHBondContact CG-OE1 3.31Å; Q271-E275 PolarHBondContact NE2-OE1 2.82Å; Q271-E275 PolarHBondContact O-N 2.97Å
272K76.4Confident65.2Low96 Ų96125 Ų12542%0.41761%0.608SS.*Hα-helixtrans-59.8-34.8174.9-75.4166175.4158.50112.5D268 Y269 R276D268-K272 WeakPolarHBondContact O-CB 3.43Å; D268-K272 WeakPolarHBondContact O-CG 3.44Å; D268-K272 PolarHBondContact O-N 2.93Å; D268-K272 WeakPolarHBondContact OD1-CD 3.27Å; D268-K272 WeakPolarHBondContact OD1-CE 3.4Å; D268-K272 IonicContact OD1-NZ 2.7Å; D268-K272 PolarHBondContact OD1-NZ 3.39Å; D268-K272 IonicContact OD2-NZ 2.62Å; D268-K272 PolarHBondContact OD2-NZ 3.35Å; Y269-K272 PolarHBondContact O-N 3.5Å; K272-R276 WeakPolarHBondContact O-CB 3.32Å; K272-R276 WeakPolarHBondContact O-CG 3.33Å; K272-R276 PolarHBondContact O-N 3.36Å
273R71.7Confident63.5Low158 Ų158126.5 Ų126.560%0.59661%0.611SS**Hα-helixtrans-71.7-27.4173.8-171.8169.6178.4164.2-4.8113.3Y269 L270 Q271Y269-R273 VanDerWaalsContact O-CB 3.32Å; Y269-R273 WeakPolarHBondContact O-CB 3.47Å; Y269-R273 PolarHBondContact O-N 2.93Å; Y269-R273 PolarHBondContact OH-NH1 3.48Å; Y269-R273 VanDerWaalsContact OH-NH1 3.15Å; L270-R273 PolarHBondContact O-N 3.1Å; Q271-R273 VanDerWaalsContact C-N 3.26Å; Q271-R273 PolarHBondContact O-N 3.18Å
274K68.8Low61.9Low169 Ų169125.3 Ų125.374%0.73561%0.609SS**Hα-helixtrans-76-38.5173.4-177.9-178.1177.7-177.80112L270 Q271L270-K274 WeakPolarHBondContact O-CB 3.37Å; L270-K274 PolarHBondContact O-N 3.19Å; Q271-K274 WeakPolarHBondContact O-CA 3.47Å; Q271-K274 WeakPolarHBondContact O-CB 3.32Å; Q271-K274 PolarHBondContact O-N 2.84Å
275E60.7Low60Low125 Ų125128.8 Ų128.858%0.58462%0.62SS**Hα-helixtrans-75.2-28.1178.4-71.1166.5-171.900112.9Q271 K277Q271-E275 WeakPolarHBondContact CG-OE1 3.31Å; Q271-E275 PolarHBondContact NE2-OE1 2.82Å; Q271-E275 PolarHBondContact O-N 2.97Å; E275-K277 PolarHBondContact O-N 2.66Å
276R59.8Low58.5Low218 Ų218128.5 Ų128.582%0.82363%0.629SS**THydrogen-bonded Turntrans-72.6-2.9173.5-78174.1178.6-172-1115.3K272K272-R276 WeakPolarHBondContact O-CB 3.32Å; K272-R276 WeakPolarHBondContact O-CG 3.33Å; K272-R276 PolarHBondContact O-N 3.36Å
277K54.3Low56.6Low162 Ų162128.1 Ų128.170%0.70464%0.637SS**SBendtrans-78.3125.9170-71.3-166.6173.9-168.10108.9E275E275-K277 PolarHBondContact O-N 2.66Å
278P42.5Very low54.7Low122 Ų122126.1 Ų126.179%0.79263%0.631SS**PPolyproline II helixtrans-58.4143.9175.725.6-33.8000110.1
279A48.2Very low53.1Low86 Ų86128.3 Ų128.371%0.71165%0.646SS**PPolyproline II helixtrans-63.4132.9173.500000109V281A279-V281 PolarHBondContact O-N 2.95Å
280P45Very low51.4Low101 Ų101125.7 Ų125.766%0.65666%0.657SS**PPolyproline II helixtrans-62.2138.4174.227-33.7000109.4I282P280-I282 HydrophobicContact CG-CG1 4.43Å; P280-I282 PolarHBondContact O-N 3.45Å; P280-I282 VanDerWaalsContact O-N 3.15Å
281V42.8Very low49.3Very low149 Ų149127.7 Ų127.790%0.90367%0.668SS**  trans-73.4105.2172.5-178.30000107.5A279A279-V281 PolarHBondContact O-N 2.95Å
282I42.2Very low47.6Very low95 Ų95129.9 Ų129.949%0.48769%0.691SS.*  trans-92106.9-179.4-62.6162.2000107.7P280 L284 M295P280-I282 HydrophobicContact CG-CG1 4.43Å; P280-I282 PolarHBondContact O-N 3.45Å; P280-I282 VanDerWaalsContact O-N 3.15Å; I282-L284 HydrophobicContact CG2-CD2 4.07Å; I282-L284 HydrophobicContact CG2-CG 4.34Å; I282-L284 PolarHBondContact O-N 2.87Å; I282-M295 HydrophobicContact CD1-CE 3.83Å
283D36.9Very low45.6Very low123 Ų123129.8 Ų129.866%0.65870%0.698SS**  trans-70.9118.6167.6-176.720.7000109.3K285D283-K285 VanDerWaalsContact C-N 3.26Å; D283-K285 PolarHBondContact O-N 2.81Å; D283-K285 VanDerWaalsContact O-N 3.08Å
284L41.4Very low44.2Very low134 Ų134128.4 Ų128.470%0.70270%0.702SS**  trans-88.652.5-170.5-75.7166.3000112.2I282 I286I282-L284 HydrophobicContact CG2-CD2 4.07Å; I282-L284 HydrophobicContact CG2-CG 4.34Å; I282-L284 PolarHBondContact O-N 2.87Å; L284-I286 VanDerWaalsContact C-N 3.33Å; L284-I286 PolarHBondContact O-N 2.81Å
285K37.5Very low42.9Very low170 Ų170126.7 Ų126.774%0.73970%0.699SS**  trans-78.584.3170-69.8-160.7-179.8-175.10111.3D283 S287D283-K285 VanDerWaalsContact C-N 3.26Å; D283-K285 PolarHBondContact O-N 2.81Å; D283-K285 VanDerWaalsContact O-N 3.08Å; K285-S287 PolarHBondContact O-N 2.94Å
286I44.2Very low41.8Very low159 Ų159131.4 Ų131.482%0.81571%0.711SS**  trans-68.396.5178.1-57.9166.5000109.9L284L284-I286 VanDerWaalsContact C-N 3.33Å; L284-I286 PolarHBondContact O-N 2.81Å
287S34.4Very low41.2Very low113 Ų113129.4 Ų129.479%0.7971%0.709SS**  trans-113.188.5175.8-71.70000112.1K285K285-S287 PolarHBondContact O-N 2.94Å
288K37.7Very low40.6Very low119 Ų119127.1 Ų127.152%0.51770%0.7SS.*SBendtrans53.1109.5152.8-135.5163.5-163-174.30120.5L323 G324 D325K288-L323 WeakPolarHBondContact CE-O 3.33Å; K288-L323 PolarHBondContact NZ-O 3.1Å; K288-G324 VanDerWaalsContact CE-O 3.22Å; K288-G324 WeakPolarHBondContact CE-O 3.29Å; K288-G324 PolarHBondContact NZ-O 3.4Å; K288-D325 VanDerWaalsContact CD-O 3.32Å; K288-D325 WeakPolarHBondContact CD-O 3.47Å; K288-D325 WeakPolarHBondContact CE-O 3.33Å
289V41.3Very low40.5Very low93 Ų93127 Ų12756%0.56469%0.693SS**SBendtrans51.491.8146.6-172.80000117.3Q327V289-Q327 PolarHBondContact O-N 2.87Å
290G40.7Very low40.1Very low69 Ų69127.4 Ų127.471%0.71168%0.683SS**SBendtrans176.7-48.2159.800000114.6
291N34.3Very low39.8Very low141 Ų141127 Ų12775%0.75468%0.682SS**  trans-121.487.4-165.4-164-1000112.8V293N291-V293 VanDerWaalsContact C-N 3.27Å; N291-V293 PolarHBondContact O-N 3.18Å; N291-V293 WeakPolarHBondContact OD1-CG2 3.5Å
292C38Very low39.8Very low126 Ų126128.1 Ų128.185%0.85168%0.677SS**  trans-7877.4167.148.20000110.4D294C292-D294 PolarHBondContact O-N 3.26Å
293V35.9Very low40Very low94 Ų94131.1 Ų131.157%0.5769%0.693SS**  trans-61.3113.2169.4-174.70000108.3N291 M295N291-V293 VanDerWaalsContact C-N 3.27Å; N291-V293 PolarHBondContact O-N 3.18Å; N291-V293 WeakPolarHBondContact OD1-CG2 3.5Å; V293-M295 HydrophobicContact CB-CG 4.12Å; V293-M295 HydrophobicContact CG1-CG 3.63Å; V293-M295 PolarHBondContact O-N 2.82Å
294D41.5Very low40.2Very low128 Ų128131 Ų13168%0.68470%0.698SS**  trans-68.985.7172-169.3-32.1000109.1C292 W296C292-D294 PolarHBondContact O-N 3.26Å; D294-W296 PolarHBondContact O-N 3.3Å; D294-W296 VanDerWaalsContact OD1-CB 3.22Å; D294-W296 WeakPolarHBondContact OD1-CB 3.43Å; D294-W296 PolarHBondContact OD1-N 3.04Å; D294-W296 VanDerWaalsContact OD1-N 3.1Å
295M42.4Very low40.4Very low133 Ų133130.1 Ų130.166%0.65570%0.697SS**  trans-83.719.5177.4-67.7-164.867.400112.7I282 V293 K297I282-M295 HydrophobicContact CD1-CE 3.83Å; V293-M295 HydrophobicContact CB-CG 4.12Å; V293-M295 HydrophobicContact CG1-CG 3.63Å; V293-M295 PolarHBondContact O-N 2.82Å; M295-K297 PolarHBondContact O-N 3.27Å
296W36.6Very low40.6Very low225 Ų225126.3 Ų126.385%0.85269%0.69SS**  trans-73.470.1175.8-65.771.7000111.2D294 Q298D294-W296 PolarHBondContact O-N 3.3Å; D294-W296 VanDerWaalsContact OD1-CB 3.22Å; D294-W296 WeakPolarHBondContact OD1-CB 3.43Å; D294-W296 PolarHBondContact OD1-N 3.04Å; D294-W296 VanDerWaalsContact OD1-N 3.1Å; W296-Q298 PolarHBondContact O-N 3.33Å; W296-Q298 VanDerWaalsContact O-N 3.11Å
297K47.8Very low40.9Very low176 Ų176128.5 Ų128.577%0.76569%0.693SS**  trans-49.4120.1148.1-78.9-174.3177.31790106.7M295 N299M295-K297 PolarHBondContact O-N 3.27Å; K297-N299 PolarHBondContact O-N 2.69Å
298Q41.9Very low42Very low113 Ų113132.2 Ų132.253%0.52870%0.698SS.*  trans-68.776.7171.8-62.5-159.6-86.900109.5H244 W296H244-Q298 VanDerWaalsContact NE2-CD 3.35Å; H244-Q298 PolarHBondContact NE2-NE2 2.96Å; W296-Q298 PolarHBondContact O-N 3.33Å; W296-Q298 VanDerWaalsContact O-N 3.11Å
299N40.3Very low42.9Very low120 Ų120131.8 Ų131.864%0.64270%0.701SS**  trans-56.2138.8159.4-72-17.5000107.3K297 C301K297-N299 PolarHBondContact O-N 2.69Å; N299-C301 PolarHBondContact O-N 3.39Å
300N39.2Very low43.6Very low95 Ų95131.1 Ų131.151%0.50869%0.694SS.*  trans-77.976.2-177.6-163.95.9000109.7Q302N300-Q302 PolarHBondContact O-N 3.03Å
301C39.8Very low44.4Very low93 Ų93132.3 Ų132.363%0.62869%0.687SS**  trans-64.198-177.5-65.60000110.1N299 L303N299-C301 PolarHBondContact O-N 3.39Å; C301-L303 PolarHBondContact O-N 2.95Å
302Q42.4Very low45.4Very low171 Ų171133.2 Ų133.280%0.79969%0.687SS**  trans-67.587.4166.9-67.4-173.12.200108.8N300 T304N300-Q302 PolarHBondContact O-N 3.03Å; Q302-T304 VanDerWaalsContact C-N 3.26Å; Q302-T304 PolarHBondContact O-N 2.77Å
303L44.8Very low46.5Very low158 Ų158134 Ų13483%0.82768%0.676SS**  trans-71.583.8172.7-66.1176000109C301 V305C301-L303 PolarHBondContact O-N 2.95Å; L303-V305 PolarHBondContact O-N 3.41Å
304T42.7Very low47.3Very low122 Ų122137.5 Ų137.575%0.74868%0.68SS**PPolyproline II helixtrans-53.3126.7165.5-54.90000108.5Q302 P306Q302-T304 VanDerWaalsContact C-N 3.26Å; Q302-T304 PolarHBondContact O-N 2.77Å; T304-P306 VanDerWaalsContact O-CD 3.27Å; T304-P306 WeakPolarHBondContact O-CD 3.23Å; T304-P306 VanDerWaalsContact O-N 3.11Å
305V45.7Very low47.4Very low115 Ų115134.6 Ų134.670%0.69767%0.674SS**PPolyproline II helixtrans-54118.2-179.4179.50000109.1L303 K307L303-V305 PolarHBondContact O-N 3.41Å; V305-K307 PolarHBondContact O-N 3.3Å; V305-K307 VanDerWaalsContact O-N 3.13Å
306P40.9Very low47.4Very low89 Ų89133.8 Ų133.858%0.57868%0.676SS**PPolyproline II helixtrans-62.3118179.8-23.934.9000110.2T304 E308 I309T304-P306 VanDerWaalsContact O-CD 3.27Å; T304-P306 WeakPolarHBondContact O-CD 3.23Å; T304-P306 VanDerWaalsContact O-N 3.11Å; P306-E308 PolarHBondContact O-N 3.12Å; P306-I309 HydrophobicContact CB-CD1 3.92Å; P306-I309 HydrophobicContact CB-CG1 3.94Å; P306-I309 HydrophobicContact CG-CD1 4.32Å
307K51Low47.5Very low205 Ų205129.4 Ų129.489%0.89167%0.674SS**SBendtrans-76.9111.8165-71.8-175.7178179.90107.6V305V305-K307 PolarHBondContact O-N 3.3Å; V305-K307 VanDerWaalsContact O-N 3.13Å
308E56.2Low46.8Very low191 Ų191129.5 Ų129.589%0.89368%0.677SS**  trans58.886.4163.5-158.2154.5-139.900114.5P306 D310P306-E308 PolarHBondContact O-N 3.12Å; E308-D310 PolarHBondContact O-N 2.73Å
309I56.6Low46.4Very low110 Ų110133.6 Ų133.656%0.56469%0.693SS**  trans-82.1105.6170.1-61175.1000108.2P306 V311 Y314P306-I309 HydrophobicContact CB-CD1 3.92Å; P306-I309 HydrophobicContact CB-CG1 3.94Å; P306-I309 HydrophobicContact CG-CD1 4.32Å; I309-V311 WeakPolarHBondContact O-CG2 3.3Å; I309-V311 PolarHBondContact O-N 3.03Å; I309-V311 VanDerWaalsContact O-N 3.09Å; I309-Y314 HydrophobicContact CG2-CD2 4.21Å
310D57Low45.8Very low80 Ų80133.3 Ų133.343%0.42870%0.7SS.*  trans-59.5100.1162.8174.4-7.5000108.9E308 K313 Y314E308-D310 PolarHBondContact O-N 2.73Å; D310-K313 HydrophobicContact CB-CB 4.13Å; D310-K313 PolarHBondContact O-N 3.41Å; D310-K313 WeakPolarHBondContact OD1-CB 3.38Å; D310-K313 PolarHBondContact OD1-N 2.94Å; D310-K313 VanDerWaalsContact OD1-N 3.1Å; D310-K313 VanDerWaalsContact OD2-CB 3.32Å; D310-K313 WeakPolarHBondContact OD2-CB 3.42Å; D310-Y314 VanDerWaalsContact O-CD2 3.27Å; D310-Y314 WeakPolarHBondContact O-CD2 3.25Å
311V56.5Low45.2Very low94 Ų94137.1 Ų137.157%0.5772%0.72SS**Hα-helixtrans-71.1-40.8-169.3-177.20000110.5I309 K313 Y314 A315I309-V311 WeakPolarHBondContact O-CG2 3.3Å; I309-V311 PolarHBondContact O-N 3.03Å; I309-V311 VanDerWaalsContact O-N 3.09Å; V311-K313 VanDerWaalsContact C-N 3.26Å; V311-K313 PolarHBondContact O-N 3.21Å; V311-Y314 PolarHBondContact O-N 3.37Å; V311-A315 WeakPolarHBondContact O-CB 3.29Å; V311-A315 PolarHBondContact O-N 3.12Å; V311-A315 VanDerWaalsContact O-N 3.13Å
312E56.6Low44.8Very low159 Ų159141.8 Ų141.874%0.74373%0.733SS**Hα-helixtrans-56.7-38177.4-74.766-157.100112Y314E312-Y314 PolarHBondContact O-N 3.16Å
313K60.7Low44Very low142 Ų142141.1 Ų141.162%0.61773%0.733SS**Hα-helixtrans-70.1-25179.4-176.2173.5-176.5177.70115.1D310 V311D310-K313 HydrophobicContact CB-CB 4.13Å; D310-K313 PolarHBondContact O-N 3.41Å; D310-K313 WeakPolarHBondContact OD1-CB 3.38Å; D310-K313 PolarHBondContact OD1-N 2.94Å; D310-K313 VanDerWaalsContact OD1-N 3.1Å; D310-K313 VanDerWaalsContact OD2-CB 3.32Å; D310-K313 WeakPolarHBondContact OD2-CB 3.42Å; V311-K313 VanDerWaalsContact C-N 3.26Å; V311-K313 PolarHBondContact O-N 3.21Å
314Y53.4Low43Very low168 Ų168135.7 Ų135.766%0.65972%0.716SS**Hα-helixtrans-105.2-6.1-179.5-65.1-74.6000113.7I309 D310 V311 E312 V316I309-Y314 HydrophobicContact CG2-CD2 4.21Å; D310-Y314 VanDerWaalsContact O-CD2 3.27Å; D310-Y314 WeakPolarHBondContact O-CD2 3.25Å; V311-Y314 PolarHBondContact O-N 3.37Å; E312-Y314 PolarHBondContact O-N 3.16Å; Y314-V316 PolarHBondContact O-N 2.59Å
315A43.7Very low42.1Very low67 Ų67135.8 Ų135.855%0.55471%0.712SS**  trans-78.154.7178.600000113.6V311 V317V311-A315 WeakPolarHBondContact O-CB 3.29Å; V311-A315 PolarHBondContact O-N 3.12Å; V311-A315 VanDerWaalsContact O-N 3.13Å; A315-V317 PolarHBondContact O-N 3.43Å
316V41.6Very low41.4Very low116 Ų116135.3 Ų135.370%0.70371%0.71SS**  trans-72111.1175.3-178.90000110.1Y314 E318Y314-V316 PolarHBondContact O-N 2.59Å; V316-E318 HydrophobicContact CG1-CG 4.31Å; V316-E318 PolarHBondContact O-N 3.28Å; V316-E318 VanDerWaalsContact O-N 3.15Å
317V39.5Very low40.8Very low133 Ų133138 Ų13881%0.80671%0.714SS**  trans-80.888.6173.8-178.50000109.6A315A315-V317 PolarHBondContact O-N 3.43Å
318E32.8Very low39.6Very low178 Ų178133.1 Ų133.183%0.83270%0.702SS**PPolyproline II helixtrans-69.3138.2169-78.6-161.4123.600111.8V316V316-E318 HydrophobicContact CG1-CG 4.31Å; V316-E318 PolarHBondContact O-N 3.28Å; V316-E318 VanDerWaalsContact O-N 3.15Å
319K32.2Very low38.2Very low199 Ų199129.8 Ų129.887%0.86570%0.695SS**PPolyproline II helixtrans-92.2127.3172.3-69.2177.6-180174.20109.2
320S28.8Very low36.9Very low114 Ų114130.4 Ų130.480%0.79770%0.703SS**PPolyproline II helixtrans-63.6134.7-17855.60000113.6
321L26.2Very low35.6Very low176 Ų176133.4 Ų133.492%0.92172%0.718SS**  trans-111.5152160.8-70.6172.9000110.2
322Q32.1Very low34.5Very low191 Ų191138.9 Ų138.989%0.89373%0.729SS**  trans-97.7160.1-177.2-58.8173.2-8.600111.4
323L24.7Very low34.1Very low156 Ų156135.6 Ų135.682%0.81772%0.721SS**  169.2111.5127-174.258.1000113.1K288K288-L323 WeakPolarHBondContact CE-O 3.33Å; K288-L323 PolarHBondContact NZ-O 3.1Å
324G24.1Very low32.9Very low45 Ų45131.7 Ų131.746%0.46472%0.715SS.*  trans-70.9-177.2-162.100000121.2K288K288-G324 VanDerWaalsContact CE-O 3.22Å; K288-G324 WeakPolarHBondContact CE-O 3.29Å; K288-G324 PolarHBondContact NZ-O 3.4Å
325D24.7Very low32.7Very low123 Ų123128.5 Ų128.566%0.65871%0.706SS**  trans70.9148.2153.4-48.7-26.4000119.1K288K288-D325 VanDerWaalsContact CD-O 3.32Å; K288-D325 WeakPolarHBondContact CD-O 3.47Å; K288-D325 WeakPolarHBondContact CE-O 3.33Å
326T29.9Very low33.1Very low106 Ų106130.2 Ų130.265%0.6570%0.703SS**  cis-168.7136.6-18.225.60000111.4
327Q27.7Very low33.8Very low145 Ų145129 Ų12968%0.67870%0.696SS**  trans65.5173147.7-127-176.8-113.800117.4V289V289-Q327 PolarHBondContact O-N 2.87Å
328T26.5Very low34.8Very low103 Ų103125.7 Ų125.763%0.63267%0.673SS**  cis-143.7-146.37.1-37.50000113.6
329T26.4Very low36.6Very low121 Ų121118 Ų11874%0.74264%0.637SS**  trans-168.8151-142.3-63.60000110
330V29.2Very low39Very low122 Ų122110.3 Ų110.374%0.73961%0.605SS**  cis-174.1175.1-26.477.40000109.7
331I29.4Very low41.5Very low144 Ų144106.3 Ų106.374%0.73857%0.573SS**  trans80.4167173.1-78.2164.3000116.2
332W33.7Very low44.2Very low209 Ų20998.5 Ų98.579%0.79253%0.533SS*.  trans-139.4174.2-161.8-75.958.7000108.5
333P47.8Very low46.5Very low89 Ų8989.4 Ų89.458%0.57849%0.49SS*.  cis-148.4-148.323.346.4-23.8000115.3S361P333-S361 PolarHBondContact O-OG 3.26Å
334A36.7Very low49.3Very low61 Ų6185.3 Ų85.350%0.50447%0.467SS..  trans80.281.916500000118.1S361 M362A334-S361 VanDerWaalsContact C-OG 3.22Å; A334-S361 PolarHBondContact N-OG 2.93Å; A334-S361 CarbonylContact O-C 3.53Å; A334-S361 VanDerWaalsContact O-CA 3.25Å; A334-S361 WeakPolarHBondContact O-CA 3.4Å; A334-S361 PolarHBondContact O-OG 3.39Å; A334-S361 VanDerWaalsContact O-OG 3.1Å; A334-M362 PolarHBondContact O-N 3.35Å
335E48.8Very low51.7Low101 Ų10183.5 Ų83.547%0.47245%0.447SS..EExtended strand (participates in β ladder)trans-67.2130.2177.8-59.1-179.5158.200113.7F359 K370E335-F359 HydrophobicContact CB-CD2 4.08Å; E335-F359 VanDerWaalsContact CD-CE2 3.48Å; E335-F359 HydrophobicContact CG-CD2 3.75Å; E335-F359 HydrophobicContact CG-CE2 3.89Å; E335-F359 WeakPolarHBondContact OE1-CE2 3.44Å; E335-K370 IonicContact OE1-NZ 2.68Å; E335-K370 PolarHBondContact OE1-NZ 2.66Å; E335-K370 IonicContact OE2-NZ 3.11Å; E335-K370 PolarHBondContact OE2-NZ 2.86Å
336E52.2Low53.9Low102 Ų10284.4 Ų84.448%0.47745%0.448SS..EExtended strand (participates in β ladder)trans-115.4127.7161.2-177.1171.2-12200108.8F359 Q360 M362E336-F359 CarbonylContact O-C 3.46Å; E336-F359 WeakPolarHBondContact O-CA 3.34Å; E336-F359 VanDerWaalsContact O-CB 3.24Å; E336-F359 WeakPolarHBondContact O-CB 3.36Å; E336-Q360 PolarHBondContact N-O 3.35Å; E336-Q360 PolarHBondContact O-N 2.9Å; E336-Q360 VanDerWaalsContact O-O 3.12Å; E336-M362 WeakPolarHBondContact OE2-CE 3.33Å
337V55.4Low55.3Low91 Ų9182.3 Ų82.355%0.55243%0.434SS*.EExtended strand (participates in β ladder)trans-85.1125.6-176.7-175.70000110F359V337-F359 HydrophobicContact CB-CB 4.35Å; V337-F359 HydrophobicContact CG2-CB 4.15Å
338I61Low56.7Low64 Ų6479.4 Ų79.433%0.32844%0.443SS..EExtended strand (participates in β ladder)trans-104.7-50.3-172.6-59.9-170.3000111.6I358 Q360I338-I358 PolarHBondContact N-O 2.87Å; I338-Q360 HydrophobicContact CD1-CB 3.54Å; I338-Q360 HydrophobicContact CD1-CG 4.44Å; I338-Q360 HydrophobicContact CG1-CB 4.32Å
339D71.9Confident58.3Low16 Ų1676.8 Ų76.89%0.08644%0.437CS..EExtended strand (participates in β ladder)trans-144.3134.1-170.5-74-56.9000112.2Y341 I358 K398 H424D339-Y341 HydrophobicContact CB-CD2 4.36Å; D339-Y341 HydrophobicContact CB-CE2 3.53Å; D339-I358 PolarHBondContact N-O 3.38Å; D339-I358 WeakPolarHBondContact O-CA 3.37Å; D339-I358 WeakPolarHBondContact O-CB 3.47Å; D339-I358 PolarHBondContact O-N 3.41Å; D339-K398 IonicContact OD2-NZ 2.66Å; D339-K398 PolarHBondContact OD2-NZ 3.44Å; D339-H424 IonicContact OD1-CD2 2.74Å; D339-H424 IonicContact OD1-CE1 3.01Å; D339-H424 PolarHBondContact OD1-CE1 3.3Å; D339-H424 IonicContact OD1-NE2 2.91Å; D339-H424 PolarHBondContact OD1-NE2 2.7Å
340D81.6Confident59.9Low37 Ų3774.5 Ų74.520%0.19842%0.418CS..EExtended strand (participates in β ladder)trans-111.3123.9174.7-96-31.5000111.1K355 S357 N425D340-K355 WeakPolarHBondContact OD1-CE 3.34Å; D340-K355 IonicContact OD1-NZ 2.68Å; D340-K355 PolarHBondContact OD1-NZ 2.91Å; D340-K355 VanDerWaalsContact OD1-NZ 3.11Å; D340-K355 WeakPolarHBondContact OD2-CE 3.41Å; D340-K355 IonicContact OD2-NZ 2.73Å; D340-K355 PolarHBondContact OD2-NZ 3.4Å; D340-S357 WeakPolarHBondContact OD1-CA 3.38Å; D340-S357 WeakPolarHBondContact OD1-CB 3.36Å; D340-S357 PolarHBondContact OD1-OG 2.94Å; D340-N425 HydrophobicContact CB-CB 4.48Å; D340-N425 PolarHBondContact N-O 3.43Å; D340-N425 PolarHBondContact O-N 2.92Å
341Y80.6Confident61.6Low30 Ų3071.1 Ų71.112%0.11840%0.403CS..EExtended strand (participates in β ladder)trans-114.2143.4177.4-63.7-89.9000111.4D339 K355 V356 I358 L405 S423 H424D339-Y341 HydrophobicContact CB-CD2 4.36Å; D339-Y341 HydrophobicContact CB-CE2 3.53Å; Y341-K355 CarbonylContact O-C 3.53Å; Y341-K355 WeakPolarHBondContact O-CA 3.44Å; Y341-K355 WeakPolarHBondContact O-CG 3.32Å; Y341-V356 PolarHBondContact N-O 3.09Å; Y341-V356 PolarHBondContact O-N 2.69Å; Y341-I358 HydrophobicContact CD2-CD1 4.01Å; Y341-I358 HydrophobicContact CD2-CG1 4.29Å; Y341-I358 HydrophobicContact CE2-CD1 3.99Å; Y341-I358 HydrophobicContact CE2-CG1 4.47Å; Y341-L405 HydrophobicContact CD1-CD1 3.95Å; Y341-L405 HydrophobicContact CD1-CD2 4.41Å; Y341-L405 HydrophobicContact CD2-CD1 3.57Å; Y341-L405 HydrophobicContact CD2-CD2 3.82Å; Y341-L405 HydrophobicContact CD2-CG 4.35Å; Y341-L405 HydrophobicContact CE1-CD1 3.83Å; Y341-L405 HydrophobicContact CE2-CD1 3.42Å; Y341-L405 VanDerWaalsContact CE2-CD1 3.42Å; Y341-L405 HydrophobicContact CG-CD1 3.83Å; Y341-L405 HydrophobicContact CG-CD2 3.75Å; Y341-L405 HydrophobicContact CG-CG 4.46Å; Y341-S423 CarbonylContact C-O 3.52Å; Y341-S423 WeakPolarHBondContact CA-O 3.48Å; Y341-H424 HydrophobicContact CD1-CB 3.77Å; Y341-H424 AromaticContact CD1-CD2 3.83Å; Y341-H424 HydrophobicContact CE1-CB 3.64Å; Y341-H424 AromaticContact CE1-CD2 3.35Å; Y341-H424 WeakPolarHBondContact CE1-CD2 3.47Å; Y341-H424 AromaticContact CE1-CG 3.55Å; Y341-H424 AromaticContact CE2-CD2 3.94Å; Y341-H424 AromaticContact CZ-CD2 3.4Å; Y341-H424 VanDerWaalsContact CZ-CD2 3.4Å; Y341-H424 AromaticContact CZ-NE2 3.83Å
342T83.1Confident63.6Low12 Ų1267.1 Ų67.17%0.07438%0.381CS..EExtended strand (participates in β ladder)trans-127.5131178.1-54.30000110.3E344 R353 M422 S423T342-E344 HydrophobicContact CG2-CG 4.17Å; T342-R353 HydrophobicContact CG2-CG 3.5Å; T342-R353 VanDerWaalsContact CG2-CG 3.5Å; T342-M422 CarbonylContact O-C 3.52Å; T342-M422 WeakPolarHBondContact O-CA 3.18Å; T342-S423 PolarHBondContact N-O 2.92Å; T342-S423 PolarHBondContact O-N 3.43Å; T342-S423 PolarHBondContact O-OG 2.9Å
343F81.6Confident65.7Low0 Ų062.1 Ų62.10%036%0.362CS..EExtended strand (participates in β ladder)trans-112.4124.9-179.5-64.3-96.4000108.9R353 T354 V356 L405 Y408 K409 Y412 V420 R421 M422F343-R353 WeakPolarHBondContact O-CA 3.25Å; F343-T354 WeakPolarHBondContact CB-O 3.48Å; F343-T354 PolarHBondContact N-O 3.46Å; F343-T354 PolarHBondContact O-N 3.49Å; F343-V356 HydrophobicContact CD2-CG2 3.76Å; F343-V356 HydrophobicContact CE2-CB 4.08Å; F343-V356 HydrophobicContact CE2-CG2 3.49Å; F343-V356 VanDerWaalsContact CE2-CG2 3.49Å; F343-L405 HydrophobicContact CE2-CD2 3.78Å; F343-L405 HydrophobicContact CZ-CB 4.27Å; F343-L405 HydrophobicContact CZ-CD2 3.65Å; F343-Y408 HydrophobicContact CD1-CD1 4.5Å; F343-Y408 HydrophobicContact CD2-CD1 4.19Å; F343-Y408 HydrophobicContact CD2-CE1 4.37Å; F343-Y408 HydrophobicContact CE1-CD1 4.38Å; F343-Y408 HydrophobicContact CE2-CD1 4.08Å; F343-Y408 HydrophobicContact CG-CD1 4.4Å; F343-Y408 HydrophobicContact CZ-CD1 4.17Å; F343-K409 HydrophobicContact CD1-CB 4.4Å; F343-K409 HydrophobicContact CD1-CG 4.5Å; F343-K409 HydrophobicContact CE1-CB 3.94Å; F343-K409 HydrophobicContact CE1-CG 4.39Å; F343-Y412 HydrophobicContact CB-CD1 4.35Å; F343-Y412 HydrophobicContact CB-CE1 4.44Å; F343-V420 HydrophobicContact CB-CG1 3.9Å; F343-V420 HydrophobicContact CD1-CG1 3.87Å; F343-V420 HydrophobicContact CG-CG1 4.4Å; F343-R421 CarbonylContact C-O 3.53Å; F343-R421 WeakPolarHBondContact CA-O 3.36Å; F343-M422 HydrophobicContact CD1-CB 4.03Å; F343-M422 HydrophobicContact CD1-CG 3.96Å; F343-M422 HydrophobicContact CD1-SD 4.48Å; F343-M422 HydrophobicContact CE1-CB 3.92Å; F343-M422 HydrophobicContact CE1-CG 3.51Å; F343-M422 HydrophobicContact CE1-SD 3.48Å; F343-M422 WeakPolarHBondContact CE1-SD 3.44Å; F343-M422 HydrophobicContact CE2-CG 4.33Å; F343-M422 HydrophobicContact CZ-CG 3.72Å; F343-M422 HydrophobicContact CZ-SD 3.51Å; F343-M422 VanDerWaalsContact CZ-SD 3.51Å
344E82Confident67.2Low71 Ų7158 Ų5833%0.33234%0.335SS..EExtended strand (participates in β ladder)trans-126134.4-175.7-63.1-177.2175.200110.3T342 Q352 R353 V420 R421T342-E344 HydrophobicContact CG2-CG 4.17Å; E344-Q352 WeakPolarHBondContact CA-O 3.39Å; E344-R353 HydrophobicContact CG-CB 4.41Å; E344-R353 HydrophobicContact CG-CG 4.18Å; E344-R353 IonicContact OE1-CZ 3.94Å; E344-R353 IonicContact OE1-NE 3.15Å; E344-R353 PolarHBondContact OE1-NE 3.43Å; E344-R353 IonicContact OE1-NH2 2.78Å; E344-R353 PolarHBondContact OE1-NH2 2.83Å; E344-R353 IonicContact OE2-NH2 2.71Å; E344-V420 WeakPolarHBondContact O-CA 3.39Å; E344-R421 PolarHBondContact N-O 2.93Å; E344-R421 PolarHBondContact O-N 3.28Å
345C74.6Confident69.4Low7 Ų757.3 Ų57.35%0.04732%0.321CS..EExtended strand (participates in β ladder)trans-140.4141.3172.6-133.90000110.1Q352 C418 E419 V420C345-Q352 PolarHBondContact N-O 2.93Å; C345-Q352 PolarHBondContact O-N 3.29Å; C345-C418 HydrophobicContact CB-CB 4.39Å; C345-C418 WeakPolarHBondContact CB-SG 3.35Å; C345-C418 VanDerWaalsContact SG-C 3.52Å; C345-C418 WeakPolarHBondContact SG-CB 3.26Å; C345-C418 CovalentContact SG-SG 2.02Å; C345-C418 PolarHBondContact SG-SG 3.33Å; C345-E419 VanDerWaalsContact SG-C 3.5Å; C345-E419 PolarHBondContact SG-O 2.98Å; C345-V420 HydrophobicContact CB-CG2 4Å; C345-V420 WeakPolarHBondContact SG-CG2 3.29Å
346E71.1Confident71.1Confident142 Ų14252.5 Ų52.566%0.66430%0.298SS*.EExtended strand (participates in β ladder)trans-108.3123175.3-169.4-17716900109.8
347V59.8Low72.6Confident61 Ų6148.1 Ų48.137%0.3728%0.279SS..EExtended strand (participates in β ladder)trans-135.1123.3176.9175.90000110.2G349 Q350 V416 C418V347-G349 VanDerWaalsContact C-N 3.25Å; V347-G349 PolarHBondContact O-N 3.5Å; V347-Q350 PolarHBondContact N-O 2.91Å; V347-Q350 VanDerWaalsContact N-O 3.08Å; V347-Q350 PolarHBondContact O-N 3.5Å; V347-V416 HydrophobicContact CG2-CG1 3.8Å; V347-C418 HydrophobicContact CG2-CB 3.49Å; V347-C418 VanDerWaalsContact CG2-CB 3.49Å; V347-C418 WeakPolarHBondContact CG2-SG 3.15Å
348G57.9Low74Confident84 Ų8444 Ų4487%0.86625%0.254SS*.THydrogen-bonded Turntrans6327.9178.200000114.2
349G60.1Low74.9Confident49 Ų4941.1 Ų41.151%0.50524%0.239SC..THydrogen-bonded Turntrans73.824.5-17700000114.1V347V347-G349 VanDerWaalsContact C-N 3.25Å; V347-G349 PolarHBondContact O-N 3.5Å
350Q59.8Low75.1Confident73 Ų7342.8 Ų42.834%0.34125%0.246SC..EExtended strand (participates in β ladder)trans-126.8127.8168.3-64.4-71.1-104.300109.4V347V347-Q350 PolarHBondContact N-O 2.91Å; V347-Q350 VanDerWaalsContact N-O 3.08Å; V347-Q350 PolarHBondContact O-N 3.5Å
351A64.6Low74.2Confident51 Ų5141.9 Ų41.942%0.42124%0.243SC..EExtended strand (participates in β ladder)trans-79.8135.8175.200000110.2
352Q71.3Confident72.8Confident60 Ų6046.7 Ų46.728%0.2827%0.268SS..EExtended strand (participates in β ladder)trans-117.6125.2169-67.1-175.854.300108.7E344 C345E344-Q352 WeakPolarHBondContact CA-O 3.39Å; C345-Q352 PolarHBondContact N-O 2.93Å; C345-Q352 PolarHBondContact O-N 3.29Å
353R76.7Confident71.4Confident104 Ų10450.1 Ų50.139%0.39231%0.306SS..EExtended strand (participates in β ladder)trans-118.7125.8-177.7178.6-179.4-79.3141.7-2.4109.7T342 F343 E344 S373 A374T342-R353 HydrophobicContact CG2-CG 3.5Å; T342-R353 VanDerWaalsContact CG2-CG 3.5Å; F343-R353 WeakPolarHBondContact O-CA 3.25Å; E344-R353 HydrophobicContact CG-CB 4.41Å; E344-R353 HydrophobicContact CG-CG 4.18Å; E344-R353 IonicContact OE1-CZ 3.94Å; E344-R353 IonicContact OE1-NE 3.15Å; E344-R353 PolarHBondContact OE1-NE 3.43Å; E344-R353 IonicContact OE1-NH2 2.78Å; E344-R353 PolarHBondContact OE1-NH2 2.83Å; E344-R353 IonicContact OE2-NH2 2.71Å; R353-S373 PolarHBondContact O-OG 3.46Å; R353-A374 PolarHBondContact O-N 2.89Å
354T79.3Confident70.3Confident2 Ų251.9 Ų51.91%0.01232%0.315CS..EExtended strand (participates in β ladder)trans-129.1121.4-179.6-63.30000109.5F343 I371 Y372 S373 Y408 Y412F343-T354 WeakPolarHBondContact CB-O 3.48Å; F343-T354 PolarHBondContact N-O 3.46Å; F343-T354 PolarHBondContact O-N 3.49Å; T354-I371 HydrophobicContact CG2-CG2 3.68Å; T354-Y372 CarbonylContact C-O 3.5Å; T354-Y372 WeakPolarHBondContact CA-O 3.48Å; T354-Y372 WeakPolarHBondContact CG2-O 3.3Å; T354-S373 PolarHBondContact OG1-OG 2.94Å; T354-Y408 HydrophobicContact CG2-CE1 4.09Å; T354-Y408 WeakPolarHBondContact CG2-OH 3.33Å; T354-Y412 PolarHBondContact OG1-OH 2.95Å
355K84.6Confident69.5Low46 Ų4653.4 Ų53.420%0.233%0.331CS..EExtended strand (participates in β ladder)trans-103134-175.6-170.4-169.4-179.8-159.60110.4D340 Y341 I371 Y372 L386D340-K355 WeakPolarHBondContact OD1-CE 3.34Å; D340-K355 IonicContact OD1-NZ 2.68Å; D340-K355 PolarHBondContact OD1-NZ 2.91Å; D340-K355 VanDerWaalsContact OD1-NZ 3.11Å; D340-K355 WeakPolarHBondContact OD2-CE 3.41Å; D340-K355 IonicContact OD2-NZ 2.73Å; D340-K355 PolarHBondContact OD2-NZ 3.4Å; Y341-K355 CarbonylContact O-C 3.53Å; Y341-K355 WeakPolarHBondContact O-CA 3.44Å; Y341-K355 WeakPolarHBondContact O-CG 3.32Å; K355-I371 WeakPolarHBondContact O-CA 3.3Å; K355-Y372 PolarHBondContact N-O 3.45Å; K355-Y372 PolarHBondContact O-N 3.21Å; K355-L386 HydrophobicContact CB-CD1 4.29Å; K355-L386 HydrophobicContact CB-CD2 4.36Å; K355-L386 HydrophobicContact CD-CD1 3.89Å
356V84.4Confident69.1Low0 Ų056.1 Ų56.10%035%0.345CS..EExtended strand (participates in β ladder)trans-118108175.9-170.80000108.4Y341 F343 I358 K370 I371 F404 L405 Y408Y341-V356 PolarHBondContact N-O 3.09Å; Y341-V356 PolarHBondContact O-N 2.69Å; F343-V356 HydrophobicContact CD2-CG2 3.76Å; F343-V356 HydrophobicContact CE2-CB 4.08Å; F343-V356 HydrophobicContact CE2-CG2 3.49Å; F343-V356 VanDerWaalsContact CE2-CG2 3.49Å; V356-I358 HydrophobicContact CG1-CG1 4.36Å; V356-K370 WeakPolarHBondContact CA-O 3.2Å; V356-I371 HydrophobicContact CG1-CG1 4.17Å; V356-I371 HydrophobicContact CG2-CG1 4.08Å; V356-F404 HydrophobicContact CG1-CE1 4.2Å; V356-L405 HydrophobicContact CB-CD2 4.18Å; V356-L405 HydrophobicContact CG1-CD2 4.13Å; V356-Y408 HydrophobicContact CG2-CD1 4.08Å; V356-Y408 HydrophobicContact CG2-CE1 3.99Å
357S83.6Confident69.3Low10 Ų1049.7 Ų49.77%0.0732%0.315CS..EExtended strand (participates in β ladder)trans-93.5129178.1-64.10000110.1D340 G369 K370D340-S357 WeakPolarHBondContact OD1-CA 3.38Å; D340-S357 WeakPolarHBondContact OD1-CB 3.36Å; D340-S357 PolarHBondContact OD1-OG 2.94Å; S357-G369 CarbonylContact O-C 3.54Å; S357-G369 VanDerWaalsContact O-CA 3.3Å; S357-G369 WeakPolarHBondContact O-CA 3.38Å; S357-K370 PolarHBondContact N-O 2.71Å; S357-K370 PolarHBondContact O-N 3.15Å
358I84.2Confident70.2Confident6 Ų649 Ų493%0.03131%0.306CS..EExtended strand (participates in β ladder)trans-118.1131-175.9-58.1-167.6000110.4I338 D339 Y341 V356 V367 Y368 I395 A401 L405I338-I358 PolarHBondContact N-O 2.87Å; D339-I358 PolarHBondContact N-O 3.38Å; D339-I358 WeakPolarHBondContact O-CA 3.37Å; D339-I358 WeakPolarHBondContact O-CB 3.47Å; D339-I358 PolarHBondContact O-N 3.41Å; Y341-I358 HydrophobicContact CD2-CD1 4.01Å; Y341-I358 HydrophobicContact CD2-CG1 4.29Å; Y341-I358 HydrophobicContact CE2-CD1 3.99Å; Y341-I358 HydrophobicContact CE2-CG1 4.47Å; V356-I358 HydrophobicContact CG1-CG1 4.36Å; I358-V367 HydrophobicContact CG2-CG1 3.28Å; I358-Y368 WeakPolarHBondContact CA-O 3.47Å; I358-I395 HydrophobicContact CD1-CD1 3.99Å; I358-I395 HydrophobicContact CG1-CD1 4.13Å; I358-I395 HydrophobicContact CG2-CD1 4.32Å; I358-A401 HydrophobicContact CD1-CB 4.11Å; I358-A401 HydrophobicContact CG2-CB 4.42Å; I358-L405 HydrophobicContact CD1-CD1 3.81Å; I358-L405 HydrophobicContact CD1-CD2 4.08Å; I358-L405 HydrophobicContact CD1-CG 4Å
359F80.2Confident71.4Confident3 Ų345 Ų451%0.01327%0.265CS..EExtended strand (participates in β ladder)trans-148159-170.653.7-84.7000110.8E335 E336 V337 Y368 K370 T392E335-F359 HydrophobicContact CB-CD2 4.08Å; E335-F359 VanDerWaalsContact CD-CE2 3.48Å; E335-F359 HydrophobicContact CG-CD2 3.75Å; E335-F359 HydrophobicContact CG-CE2 3.89Å; E335-F359 WeakPolarHBondContact OE1-CE2 3.44Å; E336-F359 CarbonylContact O-C 3.46Å; E336-F359 WeakPolarHBondContact O-CA 3.34Å; E336-F359 VanDerWaalsContact O-CB 3.24Å; E336-F359 WeakPolarHBondContact O-CB 3.36Å; V337-F359 HydrophobicContact CB-CB 4.35Å; V337-F359 HydrophobicContact CG2-CB 4.15Å; F359-Y368 HydrophobicContact CE2-CG 4.18Å; F359-Y368 PolarHBondContact N-O 3.47Å; F359-Y368 PolarHBondContact O-N 3.23Å; F359-K370 HydrophobicContact CD1-CD 4.37Å; F359-K370 HydrophobicContact CE1-CB 4.15Å; F359-K370 HydrophobicContact CE1-CD 3.48Å; F359-K370 VanDerWaalsContact CE1-CD 3.48Å; F359-K370 HydrophobicContact CE1-CG 3.6Å; F359-K370 HydrophobicContact CZ-CD 3.79Å; F359-K370 HydrophobicContact CZ-CG 3.87Å; F359-T392 HydrophobicContact CE2-CG2 3.92Å; F359-T392 HydrophobicContact CZ-CG2 3.77Å
360Q76Confident72.3Confident50 Ų5044 Ų4423%0.23425%0.247CC..EExtended strand (participates in β ladder)trans-135.3147.3-176.3178.4160.54.100108.7E336 I338 D364 L366E336-Q360 PolarHBondContact N-O 3.35Å; E336-Q360 PolarHBondContact O-N 2.9Å; E336-Q360 VanDerWaalsContact O-O 3.12Å; I338-Q360 HydrophobicContact CD1-CB 3.54Å; I338-Q360 HydrophobicContact CD1-CG 4.44Å; I338-Q360 HydrophobicContact CG1-CB 4.32Å; Q360-D364 WeakPolarHBondContact CG-O 3.4Å; Q360-D364 PolarHBondContact NE2-O 2.67Å; Q360-L366 WeakPolarHBondContact CG-O 3.33Å
361S62.7Low73.3Confident18 Ų1840.9 Ų40.913%0.12623%0.232CC..EExtended strand (participates in β ladder)trans-83.9138.1178.9-1240000110.7P333 A334 G363 D364P333-S361 PolarHBondContact O-OG 3.26Å; A334-S361 VanDerWaalsContact C-OG 3.22Å; A334-S361 PolarHBondContact N-OG 2.93Å; A334-S361 CarbonylContact O-C 3.53Å; A334-S361 VanDerWaalsContact O-CA 3.25Å; A334-S361 WeakPolarHBondContact O-CA 3.4Å; A334-S361 PolarHBondContact O-OG 3.39Å; A334-S361 VanDerWaalsContact O-OG 3.1Å; S361-G363 PolarHBondContact O-N 2.68Å; S361-D364 PolarHBondContact O-N 3.48Å
362M52Low74Confident131 Ų13141.3 Ų41.365%0.64522%0.223SC*.THydrogen-bonded Turntrans-61.2103.3176.2-97.2-70.3-169.700110.8A334 E336A334-M362 PolarHBondContact O-N 3.35Å; E336-M362 WeakPolarHBondContact OE2-CE 3.33Å
363G53.6Low74.3Confident84 Ų8439.2 Ų39.287%0.86622%0.215SC*.THydrogen-bonded Turntrans101-1.9-175.600000115.5S361S361-G363 PolarHBondContact O-N 2.68Å
364D58.4Low73.9Confident37 Ų3735 Ų3520%0.19820%0.203CC..  trans-102.9125.9173.1-169.1-13.1000110.1Q360 S361 L366 Y368Q360-D364 WeakPolarHBondContact CG-O 3.4Å; Q360-D364 PolarHBondContact NE2-O 2.67Å; S361-D364 PolarHBondContact O-N 3.48Å; D364-L366 PolarHBondContact O-N 2.62Å; D364-L366 VanDerWaalsContact OD1-CB 3.23Å; D364-L366 WeakPolarHBondContact OD1-CB 3.43Å; D364-L366 WeakPolarHBondContact OD1-CG 3.16Å; D364-L366 PolarHBondContact OD1-N 3.08Å; D364-Y368 PolarHBondContact OD2-OH 2.87Å
365P64.8Low72.8Confident104 Ų10442.7 Ų42.768%0.67524%0.236SC*.  trans-68.7-717230-37.2000114.1
366L66.3Low71.2Confident64 Ų6446.3 Ų46.334%0.33525%0.254SS..  trans-89.5140.1-177-61.7175.5000113.9Q360 D364 Y368 L394 G396Q360-L366 WeakPolarHBondContact CG-O 3.33Å; D364-L366 PolarHBondContact O-N 2.62Å; D364-L366 VanDerWaalsContact OD1-CB 3.23Å; D364-L366 WeakPolarHBondContact OD1-CB 3.43Å; D364-L366 WeakPolarHBondContact OD1-CG 3.16Å; D364-L366 PolarHBondContact OD1-N 3.08Å; L366-Y368 HydrophobicContact CB-CE2 3.99Å; L366-Y368 WeakPolarHBondContact O-CD2 3.48Å; L366-Y368 WeakPolarHBondContact O-CE2 3.36Å; L366-L394 HydrophobicContact CB-CD1 3.74Å; L366-L394 HydrophobicContact CD1-CD1 4.02Å; L366-L394 HydrophobicContact CD1-CD2 4.38Å; L366-L394 HydrophobicContact CD2-CD1 4.37Å; L366-L394 HydrophobicContact CG-CD1 4.27Å; L366-G396 WeakPolarHBondContact CA-O 3.35Å
367V74.4Confident69.2Low6 Ų652.4 Ų52.44%0.03629%0.291CS..EExtended strand (participates in β ladder)trans-105.9136.8-178-179.30000110I358 I395 G396 K398 A401I358-V367 HydrophobicContact CG2-CG1 3.28Å; V367-I395 WeakPolarHBondContact O-CA 3.45Å; V367-I395 WeakPolarHBondContact O-CB 3.46Å; V367-I395 PolarHBondContact O-N 3.01Å; V367-G396 PolarHBondContact N-O 3.47Å; V367-G396 PolarHBondContact O-N 3.24Å; V367-K398 HydrophobicContact CG2-CB 4.33Å; V367-A401 HydrophobicContact CG1-CB 4.07Å
368Y78.6Confident67.1Low46 Ų4660.5 Ų60.518%0.1833%0.325CS..EExtended strand (participates in β ladder)trans-123.8158.9-172.1-65.7-95.2000111.5I358 F359 D364 L366 T392 F393 L394I358-Y368 WeakPolarHBondContact CA-O 3.47Å; F359-Y368 HydrophobicContact CE2-CG 4.18Å; F359-Y368 PolarHBondContact N-O 3.47Å; F359-Y368 PolarHBondContact O-N 3.23Å; D364-Y368 PolarHBondContact OD2-OH 2.87Å; L366-Y368 HydrophobicContact CB-CE2 3.99Å; L366-Y368 WeakPolarHBondContact O-CD2 3.48Å; L366-Y368 WeakPolarHBondContact O-CE2 3.36Å; Y368-T392 HydrophobicContact CD1-CG2 3.99Å; Y368-F393 CarbonylContact C-O 3.58Å; Y368-F393 VanDerWaalsContact CA-O 3.29Å; Y368-F393 WeakPolarHBondContact CA-O 3.34Å; Y368-L394 HydrophobicContact CD1-CB 4.09Å; Y368-L394 HydrophobicContact CD1-CD1 4.18Å; Y368-L394 HydrophobicContact CE1-CB 3.94Å; Y368-L394 HydrophobicContact CE1-CD1 3.83Å; Y368-L394 HydrophobicContact CE1-CG 4.44Å; Y368-L394 HydrophobicContact CE2-CD1 4.32Å
369G83.1Confident64.7Low0 Ų064.7 Ų64.70%036%0.361CS..EExtended strand (participates in β ladder)trans-133.7155-177.300000114.2S357 T392 F393S357-G369 CarbonylContact O-C 3.54Å; S357-G369 VanDerWaalsContact O-CA 3.3Å; S357-G369 WeakPolarHBondContact O-CA 3.38Å; G369-T392 VanDerWaalsContact O-CA 3.32Å; G369-T392 WeakPolarHBondContact O-CA 3.47Å; G369-F393 VanDerWaalsContact C-CE1 3.41Å; G369-F393 PolarHBondContact N-O 3.08Å; G369-F393 WeakPolarHBondContact O-CD1 3.41Å; G369-F393 WeakPolarHBondContact O-CE1 3.49Å; G369-F393 PolarHBondContact O-N 3.15Å
370K80.1Confident62.9Low29 Ų2973.8 Ų73.813%0.12640%0.403CS..EExtended strand (participates in β ladder)trans-134.1137.8167.2-75.7155.7-170.2142.50108.1E335 V356 S357 F359 Y372 L388 T392E335-K370 IonicContact OE1-NZ 2.68Å; E335-K370 PolarHBondContact OE1-NZ 2.66Å; E335-K370 IonicContact OE2-NZ 3.11Å; E335-K370 PolarHBondContact OE2-NZ 2.86Å; V356-K370 WeakPolarHBondContact CA-O 3.2Å; S357-K370 PolarHBondContact N-O 2.71Å; S357-K370 PolarHBondContact O-N 3.15Å; F359-K370 HydrophobicContact CD1-CD 4.37Å; F359-K370 HydrophobicContact CE1-CB 4.15Å; F359-K370 HydrophobicContact CE1-CD 3.48Å; F359-K370 VanDerWaalsContact CE1-CD 3.48Å; F359-K370 HydrophobicContact CE1-CG 3.6Å; F359-K370 HydrophobicContact CZ-CD 3.79Å; F359-K370 HydrophobicContact CZ-CG 3.87Å; K370-Y372 HydrophobicContact CB-CE2 3.68Å; K370-L388 HydrophobicContact CB-CD1 4Å; K370-L388 HydrophobicContact CG-CD1 4.32Å; K370-T392 WeakPolarHBondContact CE-OG1 3.29Å
371I81.1Confident61.1Low7 Ų780.6 Ų80.64%0.03644%0.435CS..EExtended strand (participates in β ladder)trans-116.4126.7177-60.5156.7000110.1T354 K355 V356 I389 H390 F393 F404 Y408T354-I371 HydrophobicContact CG2-CG2 3.68Å; K355-I371 WeakPolarHBondContact O-CA 3.3Å; V356-I371 HydrophobicContact CG1-CG1 4.17Å; V356-I371 HydrophobicContact CG2-CG1 4.08Å; I371-I389 PolarHBondContact O-N 2.9Å; I371-H390 HydrophobicContact CB-CB 4.09Å; I371-H390 HydrophobicContact CD1-CB 4.25Å; I371-H390 PolarHBondContact N-O 3.36Å; I371-H390 PolarHBondContact O-N 3Å; I371-F393 HydrophobicContact CD1-CE1 3.69Å; I371-F393 HydrophobicContact CD1-CZ 3.66Å; I371-F393 HydrophobicContact CG1-CE1 3.7Å; I371-F393 HydrophobicContact CG1-CZ 3.78Å; I371-F404 HydrophobicContact CD1-CZ 4.24Å; I371-Y408 HydrophobicContact CD1-CE2 3.97Å
372Y79.4Confident60.3Low60 Ų6087.5 Ų87.524%0.23547%0.471CS..EExtended strand (participates in β ladder)trans-118149.8176.4-49.7-104.8000109.6T354 K355 K370 L386 K387 L388T354-Y372 CarbonylContact C-O 3.5Å; T354-Y372 WeakPolarHBondContact CA-O 3.48Å; T354-Y372 WeakPolarHBondContact CG2-O 3.3Å; K355-Y372 PolarHBondContact N-O 3.45Å; K355-Y372 PolarHBondContact O-N 3.21Å; K370-Y372 HydrophobicContact CB-CE2 3.68Å; Y372-L386 HydrophobicContact CD1-CB 4.43Å; Y372-K387 CarbonylContact C-O 3.53Å; Y372-K387 VanDerWaalsContact CA-O 3.29Å; Y372-K387 WeakPolarHBondContact CA-O 3.29Å; Y372-L388 HydrophobicContact CD1-CB 3.89Å; Y372-L388 HydrophobicContact CD1-CD1 3.86Å; Y372-L388 HydrophobicContact CD2-CD1 4.41Å; Y372-L388 HydrophobicContact CE1-CB 4.03Å; Y372-L388 HydrophobicContact CE1-CD1 3.61Å; Y372-L388 HydrophobicContact CE1-CG 4.38Å; Y372-L388 HydrophobicContact CE2-CD1 4.16Å; Y372-L388 HydrophobicContact CG-CD1 4.26Å
373S77.4Confident60Low16 Ų1685.7 Ų85.711%0.11247%0.471CS..EExtended strand (participates in β ladder)trans-138.8142.6174.2-1650000111.7R353 T354 K387 I389R353-S373 PolarHBondContact O-OG 3.46Å; T354-S373 PolarHBondContact OG1-OG 2.94Å; S373-K387 PolarHBondContact N-O 3.24Å; S373-K387 PolarHBondContact O-N 2.95Å; S373-K387 VanDerWaalsContact O-N 3.15Å; S373-I389 VanDerWaalsContact CB-CD1 3.49Å
374A68.6Low59.8Low15 Ų1585.9 Ų85.912%0.12446%0.457CS..EExtended strand (participates in β ladder)trans-106.7124.4171.800000109.1R353 L386R353-A374 PolarHBondContact O-N 2.89Å; A374-L386 HydrophobicContact CB-CD2 4.01Å
375K55.6Low59.5Low165 Ų16589.4 Ų89.472%0.71748%0.476SS*.EExtended strand (participates in β ladder)trans-105104.8161.9-74.5-169.5173.5-1720107.7T377K375-T377 PolarHBondContact O-N 2.92Å
376E50.7Low59.3Low121 Ų12187 Ų8757%0.56546%0.457SS*.  trans-57.7129.6169.9-69.9-174.616000109.4
377T42.7Very low59.4Low129 Ų12990.4 Ų90.479%0.79147%0.469SS*.  trans-130.1115.5169.2-50.90000104.9K375 A379K375-T377 PolarHBondContact O-N 2.92Å; T377-A379 PolarHBondContact O-N 3.26Å; T377-A379 VanDerWaalsContact O-N 3.1Å
378K39Very low59.1Low179 Ų17994.3 Ų94.378%0.77849%0.489SS*.SBendtrans-58.4109-156.4-62.3-173.5176.8-1710115
379A34.3Very low58.7Low95 Ų9596.9 Ų96.979%0.78551%0.505SS*.  trans-169.5157.4146.900000109.8T377T377-A379 PolarHBondContact O-N 3.26Å; T377-A379 VanDerWaalsContact O-N 3.1Å
380E42Very low58Low194 Ų194101.3 Ų101.391%0.90753%0.525SS*.  trans-69.6132.3171.7-65.5149.7108.700111
381E39Very low57.4Low192 Ų192104.2 Ų104.290%0.89755%0.547SS*.  -168.6-174.896.5-137.9173.9-178.200109.9S383E381-S383 PolarHBondContact O-N 2.9Å
382D46Very low56.9Low163 Ų163106.7 Ų106.787%0.87256%0.563SS**SBendtrans-78.187.4-158.2-140.6-15.5000114.9
383S44.2Very low56.7Low93 Ų93106.1 Ų106.165%0.6556%0.562SS**  trans174.3141.513744.20000112.9E381 D385E381-S383 PolarHBondContact O-N 2.9Å; S383-D385 PolarHBondContact O-N 3.24Å; S383-D385 VanDerWaalsContact O-N 3.07Å
384P49.3Very low56.7Low88 Ų88110 Ų11057%0.57158%0.58SS**  trans-76.297.4173.830.5-33000110.6L386P384-L386 PolarHBondContact O-N 3.22Å
385D53.2Low57.1Low112 Ų112110.4 Ų110.460%0.59958%0.581SS**  trans-64.377.2177-17740.6000112S383 K387S383-D385 PolarHBondContact O-N 3.24Å; S383-D385 VanDerWaalsContact O-N 3.07Å; D385-K387 PolarHBondContact O-N 2.94Å; D385-K387 VanDerWaalsContact O-N 3.09Å; D385-K387 WeakPolarHBondContact OD2-CE 3.46Å; D385-K387 IonicContact OD2-NZ 2.96Å; D385-K387 PolarHBondContact OD2-NZ 3.14Å
386L61.1Low58.2Low53 Ų53103.2 Ų103.228%0.27755%0.553SS.*  trans-70.397.9-173.8-88.3173.6000111.3K355 Y372 A374 P384 L388K355-L386 HydrophobicContact CB-CD1 4.29Å; K355-L386 HydrophobicContact CB-CD2 4.36Å; K355-L386 HydrophobicContact CD-CD1 3.89Å; Y372-L386 HydrophobicContact CD1-CB 4.43Å; A374-L386 HydrophobicContact CB-CD2 4.01Å; P384-L386 PolarHBondContact O-N 3.22Å; L386-L388 PolarHBondContact O-N 3.06Å
387K67.3Low59.6Low136 Ų13699.5 Ų99.559%0.59154%0.541SS*.EExtended strand (participates in β ladder)trans-75118.6-179.5-77.4163.8-179.1140.20110.5Y372 S373 D385 I389Y372-K387 CarbonylContact C-O 3.53Å; Y372-K387 VanDerWaalsContact CA-O 3.29Å; Y372-K387 WeakPolarHBondContact CA-O 3.29Å; S373-K387 PolarHBondContact N-O 3.24Å; S373-K387 PolarHBondContact O-N 2.95Å; S373-K387 VanDerWaalsContact O-N 3.15Å; D385-K387 PolarHBondContact O-N 2.94Å; D385-K387 VanDerWaalsContact O-N 3.09Å; D385-K387 WeakPolarHBondContact OD2-CE 3.46Å; D385-K387 IonicContact OD2-NZ 2.96Å; D385-K387 PolarHBondContact OD2-NZ 3.14Å; K387-I389 PolarHBondContact O-N 3.32Å; K387-I389 VanDerWaalsContact O-N 3.1Å
388L69Low61.1Low88 Ų8898.3 Ų98.346%0.46152%0.524SS..EExtended strand (participates in β ladder)trans-62.6106.3173.8-177.372.8000109.5K370 Y372 L386 H390 P391K370-L388 HydrophobicContact CB-CD1 4Å; K370-L388 HydrophobicContact CG-CD1 4.32Å; Y372-L388 HydrophobicContact CD1-CB 3.89Å; Y372-L388 HydrophobicContact CD1-CD1 3.86Å; Y372-L388 HydrophobicContact CD2-CD1 4.41Å; Y372-L388 HydrophobicContact CE1-CB 4.03Å; Y372-L388 HydrophobicContact CE1-CD1 3.61Å; Y372-L388 HydrophobicContact CE1-CG 4.38Å; Y372-L388 HydrophobicContact CE2-CD1 4.16Å; Y372-L388 HydrophobicContact CG-CD1 4.26Å; L386-L388 PolarHBondContact O-N 3.06Å; L388-H390 VanDerWaalsContact CD1-O 3.32Å; L388-H390 WeakPolarHBondContact CD1-O 3.47Å; L388-P391 HydrophobicContact CD2-CB 4.15Å
389I70.6Confident62.9Low99 Ų9994.4 Ų94.451%0.50851%0.511SS..EExtended strand (participates in β ladder)trans-86.9-38.8177.1-62.1-168.7000110.4I371 S373 K387I371-I389 PolarHBondContact O-N 2.9Å; S373-I389 VanDerWaalsContact CB-CD1 3.49Å; K387-I389 PolarHBondContact O-N 3.32Å; K387-I389 VanDerWaalsContact O-N 3.1Å
390H68.4Low65.1Low93 Ų9392.1 Ų92.143%0.43149%0.486SS..EExtended strand (participates in β ladder)trans-124.1113176.4-59-65.7000110.8I371 L388 F393I371-H390 HydrophobicContact CB-CB 4.09Å; I371-H390 HydrophobicContact CD1-CB 4.25Å; I371-H390 PolarHBondContact N-O 3.36Å; I371-H390 PolarHBondContact O-N 3Å; L388-H390 VanDerWaalsContact CD1-O 3.32Å; L388-H390 WeakPolarHBondContact CD1-O 3.47Å; H390-F393 HydrophobicContact CB-CD1 4.3Å; H390-F393 HydrophobicContact CB-CE1 4.29Å
391P67.4Low66.9Low90 Ų9083.1 Ų83.158%0.58445%0.445SS*.EExtended strand (participates in β ladder)trans-69.1173172.833.2-36.7000111.2L388 F393L388-P391 HydrophobicContact CD2-CB 4.15Å; P391-F393 WeakPolarHBondContact O-CD1 3.39Å; P391-F393 PolarHBondContact O-N 3.46Å; P391-F393 VanDerWaalsContact O-N 3.09Å
392T69.9Low68.7Low59 Ų5978.3 Ų78.336%0.36242%0.422SS..EExtended strand (participates in β ladder)trans-34.5110.3-176.2-57.40000113.9F359 Y368 G369 K370F359-T392 HydrophobicContact CE2-CG2 3.92Å; F359-T392 HydrophobicContact CZ-CG2 3.77Å; Y368-T392 HydrophobicContact CD1-CG2 3.99Å; G369-T392 VanDerWaalsContact O-CA 3.32Å; G369-T392 WeakPolarHBondContact O-CA 3.47Å; K370-T392 WeakPolarHBondContact CE-OG1 3.29Å
393F75.1Confident70.4Confident49 Ų4977.4 Ų77.422%0.21541%0.406CS..EExtended strand (participates in β ladder)trans-116.3147.3170.357.1-87.2000110.3Y368 G369 I371 H390 P391 I395 F404Y368-F393 CarbonylContact C-O 3.58Å; Y368-F393 VanDerWaalsContact CA-O 3.29Å; Y368-F393 WeakPolarHBondContact CA-O 3.34Å; G369-F393 VanDerWaalsContact C-CE1 3.41Å; G369-F393 PolarHBondContact N-O 3.08Å; G369-F393 WeakPolarHBondContact O-CD1 3.41Å; G369-F393 WeakPolarHBondContact O-CE1 3.49Å; G369-F393 PolarHBondContact O-N 3.15Å; I371-F393 HydrophobicContact CD1-CE1 3.69Å; I371-F393 HydrophobicContact CD1-CZ 3.66Å; I371-F393 HydrophobicContact CG1-CE1 3.7Å; I371-F393 HydrophobicContact CG1-CZ 3.78Å; H390-F393 HydrophobicContact CB-CD1 4.3Å; H390-F393 HydrophobicContact CB-CE1 4.29Å; P391-F393 WeakPolarHBondContact O-CD1 3.39Å; P391-F393 PolarHBondContact O-N 3.46Å; P391-F393 VanDerWaalsContact O-N 3.09Å; F393-I395 HydrophobicContact CD2-CG1 3.98Å; F393-I395 HydrophobicContact CE2-CD1 4.21Å; F393-I395 HydrophobicContact CE2-CG1 3.76Å; F393-F404 HydrophobicContact CE2-CD1 4.45Å; F393-F404 AromaticContact CE2-CE1 3.74Å; F393-F404 HydrophobicContact CE2-CE1 3.74Å; F393-F404 AromaticContact CE2-CE2 3.98Å; F393-F404 HydrophobicContact CE2-CE2 3.98Å; F393-F404 AromaticContact CE2-CZ 3.46Å; F393-F404 HydrophobicContact CE2-CZ 3.46Å; F393-F404 VanDerWaalsContact CE2-CZ 3.46Å; F393-F404 AromaticContact CZ-CE1 3.83Å; F393-F404 HydrophobicContact CZ-CE1 3.83Å; F393-F404 AromaticContact CZ-CZ 3.68Å; F393-F404 HydrophobicContact CZ-CZ 3.68Å
394L77.6Confident72.3Confident96 Ų9675.4 Ų75.450%0.50339%0.386SS..EExtended strand (participates in β ladder)trans-77.2130.6173172.662.5000109.2L366 Y368L366-L394 HydrophobicContact CB-CD1 3.74Å; L366-L394 HydrophobicContact CD1-CD1 4.02Å; L366-L394 HydrophobicContact CD1-CD2 4.38Å; L366-L394 HydrophobicContact CD2-CD1 4.37Å; L366-L394 HydrophobicContact CG-CD1 4.27Å; Y368-L394 HydrophobicContact CD1-CB 4.09Å; Y368-L394 HydrophobicContact CD1-CD1 4.18Å; Y368-L394 HydrophobicContact CE1-CB 3.94Å; Y368-L394 HydrophobicContact CE1-CD1 3.83Å; Y368-L394 HydrophobicContact CE1-CG 4.44Å; Y368-L394 HydrophobicContact CE2-CD1 4.32Å
395I76.7Confident74Confident25 Ų2571.5 Ų71.513%0.12836%0.36CS..EExtended strand (participates in β ladder)trans-98.6-36.9175.2-46.4175.6000111.4I358 V367 F393 A401 F404I358-I395 HydrophobicContact CD1-CD1 3.99Å; I358-I395 HydrophobicContact CG1-CD1 4.13Å; I358-I395 HydrophobicContact CG2-CD1 4.32Å; V367-I395 WeakPolarHBondContact O-CA 3.45Å; V367-I395 WeakPolarHBondContact O-CB 3.46Å; V367-I395 PolarHBondContact O-N 3.01Å; F393-I395 HydrophobicContact CD2-CG1 3.98Å; F393-I395 HydrophobicContact CE2-CD1 4.21Å; F393-I395 HydrophobicContact CE2-CG1 3.76Å; I395-A401 HydrophobicContact CD1-CB 4.45Å; I395-A401 HydrophobicContact CG2-CB 4.35Å; I395-F404 HydrophobicContact CD1-CD1 4.43Å; I395-F404 HydrophobicContact CG2-CB 3.57Å; I395-F404 HydrophobicContact CG2-CD1 4.45Å; I395-F404 HydrophobicContact CG2-CD2 4.42Å; I395-F404 HydrophobicContact CG2-CG 3.9Å
396G78.5Confident75.3Confident14 Ų1470.8 Ų70.814%0.14436%0.36CS..EExtended strand (participates in β ladder)trans124.3-125.7-179.800000111.4L366 V367L366-G396 WeakPolarHBondContact CA-O 3.35Å; V367-G396 PolarHBondContact N-O 3.47Å; V367-G396 PolarHBondContact O-N 3.24Å
397S79.4Confident76.3Confident43 Ų4374.9 Ų74.930%0.30138%0.378SS..SBendtrans-88.2171.1173.371.40000112.4I399 D400 A401S397-I399 VanDerWaalsContact C-N 3.27Å; S397-I399 PolarHBondContact O-N 3.01Å; S397-I399 VanDerWaalsContact OG-CG2 3.23Å; S397-I399 WeakPolarHBondContact OG-CG2 3.33Å; S397-D400 WeakPolarHBondContact CB-OD2 3.48Å; S397-D400 PolarHBondContact N-OD2 3.32Å; S397-D400 WeakPolarHBondContact O-CA 3.27Å; S397-D400 WeakPolarHBondContact O-CB 3.43Å; S397-D400 PolarHBondContact O-N 3.29Å; S397-D400 VanDerWaalsContact OG-CG 3.3Å; S397-D400 PolarHBondContact OG-N 3.25Å; S397-D400 PolarHBondContact OG-OD2 3.43Å; S397-A401 PolarHBondContact O-N 2.84Å
398K75.2Confident77.1Confident103 Ų10370.6 Ų70.645%0.44836%0.358SS..Hα-helixtrans-60.2-32.8176-176.5156.8177.7139.30113.3D339 V367 D400 A401 E402D339-K398 IonicContact OD2-NZ 2.66Å; D339-K398 PolarHBondContact OD2-NZ 3.44Å; V367-K398 HydrophobicContact CG2-CB 4.33Å; K398-D400 VanDerWaalsContact C-N 3.31Å; K398-D400 PolarHBondContact O-N 3.19Å; K398-A401 WeakPolarHBondContact O-CB 3.38Å; K398-A401 PolarHBondContact O-N 2.88Å; K398-E402 PolarHBondContact O-N 3.36Å
399I76.9Confident77.7Confident98 Ų9869 Ų6950%0.50335%0.348SS..Hα-helixtrans-74-22.6173.7-168.162.4000112.3S397 E402 R403S397-I399 VanDerWaalsContact C-N 3.27Å; S397-I399 PolarHBondContact O-N 3.01Å; S397-I399 VanDerWaalsContact OG-CG2 3.23Å; S397-I399 WeakPolarHBondContact OG-CG2 3.33Å; I399-E402 WeakPolarHBondContact CD1-OE2 3.48Å; I399-R403 WeakPolarHBondContact O-CG 3.03Å; I399-R403 PolarHBondContact O-N 3.45Å
400D79.5Confident78Confident47 Ų4765.2 Ų65.225%0.25133%0.333SS..Hα-helixtrans-75.1-31.2169.3-57.5-51.9000111.8S397 K398 R403 F404S397-D400 WeakPolarHBondContact CB-OD2 3.48Å; S397-D400 PolarHBondContact N-OD2 3.32Å; S397-D400 WeakPolarHBondContact O-CA 3.27Å; S397-D400 WeakPolarHBondContact O-CB 3.43Å; S397-D400 PolarHBondContact O-N 3.29Å; S397-D400 VanDerWaalsContact OG-CG 3.3Å; S397-D400 PolarHBondContact OG-N 3.25Å; S397-D400 PolarHBondContact OG-OD2 3.43Å; K398-D400 VanDerWaalsContact C-N 3.31Å; K398-D400 PolarHBondContact O-N 3.19Å; D400-R403 PolarHBondContact O-N 3.48Å; D400-R403 IonicContact OD1-CZ 2.66Å; D400-R403 IonicContact OD1-NE 3.21Å; D400-R403 IonicContact OD1-NH2 2.68Å; D400-R403 PolarHBondContact OD1-NH2 3.46Å; D400-F404 WeakPolarHBondContact O-CB 3.25Å; D400-F404 PolarHBondContact O-N 3.5Å
401A80.1Confident78.7Confident5 Ų564.1 Ų64.14%0.04133%0.333CS..Hα-helixtrans-62.1-46172.600000112.5I358 V367 I395 S397 K398 R403 F404 L405I358-A401 HydrophobicContact CD1-CB 4.11Å; I358-A401 HydrophobicContact CG2-CB 4.42Å; V367-A401 HydrophobicContact CG1-CB 4.07Å; I395-A401 HydrophobicContact CD1-CB 4.45Å; I395-A401 HydrophobicContact CG2-CB 4.35Å; S397-A401 PolarHBondContact O-N 2.84Å; K398-A401 WeakPolarHBondContact O-CB 3.38Å; K398-A401 PolarHBondContact O-N 2.88Å; A401-R403 PolarHBondContact O-N 2.72Å; A401-F404 PolarHBondContact O-N 3.45Å; A401-L405 WeakPolarHBondContact O-CG 3.36Å; A401-L405 PolarHBondContact O-N 2.96Å
402E76.9Confident79.2Confident90 Ų9060.9 Ų60.942%0.42131%0.309SS..Hα-helixtrans-63.5-40.7175.4-68.1170.3-162.900112K398 I399 T406K398-E402 PolarHBondContact O-N 3.36Å; I399-E402 WeakPolarHBondContact CD1-OE2 3.48Å; E402-T406 WeakPolarHBondContact O-CB 3.28Å; E402-T406 PolarHBondContact O-N 3.16Å; E402-T406 VanDerWaalsContact O-N 3.12Å; E402-T406 PolarHBondContact O-OG1 2.95Å
403R81.8Confident79.8Confident144 Ų14460.7 Ų60.754%0.54330%0.304SS..Hα-helixtrans-66.6-39173.7-71.6-167.5-66.8-1681.5112.5I399 D400 A401 T406 Q407I399-R403 WeakPolarHBondContact O-CG 3.03Å; I399-R403 PolarHBondContact O-N 3.45Å; D400-R403 PolarHBondContact O-N 3.48Å; D400-R403 IonicContact OD1-CZ 2.66Å; D400-R403 IonicContact OD1-NE 3.21Å; D400-R403 IonicContact OD1-NH2 2.68Å; D400-R403 PolarHBondContact OD1-NH2 3.46Å; A401-R403 PolarHBondContact O-N 2.72Å; R403-T406 PolarHBondContact O-N 3.05Å; R403-Q407 WeakPolarHBondContact O-CB 3.43Å; R403-Q407 WeakPolarHBondContact O-CG 3.39Å; R403-Q407 PolarHBondContact O-N 3.05Å
404F84.9Confident80Confident52 Ų5265.7 Ų65.723%0.22833%0.325CS..Hα-helixtrans-62.8-48.6176.7175.5-94.6000111.3V356 I371 F393 I395 D400 A401 T406 Q407 Y408V356-F404 HydrophobicContact CG1-CE1 4.2Å; I371-F404 HydrophobicContact CD1-CZ 4.24Å; F393-F404 HydrophobicContact CE2-CD1 4.45Å; F393-F404 AromaticContact CE2-CE1 3.74Å; F393-F404 HydrophobicContact CE2-CE1 3.74Å; F393-F404 AromaticContact CE2-CE2 3.98Å; F393-F404 HydrophobicContact CE2-CE2 3.98Å; F393-F404 AromaticContact CE2-CZ 3.46Å; F393-F404 HydrophobicContact CE2-CZ 3.46Å; F393-F404 VanDerWaalsContact CE2-CZ 3.46Å; F393-F404 AromaticContact CZ-CE1 3.83Å; F393-F404 HydrophobicContact CZ-CE1 3.83Å; F393-F404 AromaticContact CZ-CZ 3.68Å; F393-F404 HydrophobicContact CZ-CZ 3.68Å; I395-F404 HydrophobicContact CD1-CD1 4.43Å; I395-F404 HydrophobicContact CG2-CB 3.57Å; I395-F404 HydrophobicContact CG2-CD1 4.45Å; I395-F404 HydrophobicContact CG2-CD2 4.42Å; I395-F404 HydrophobicContact CG2-CG 3.9Å; D400-F404 WeakPolarHBondContact O-CB 3.25Å; D400-F404 PolarHBondContact O-N 3.5Å; A401-F404 PolarHBondContact O-N 3.45Å; F404-T406 VanDerWaalsContact C-N 3.3Å; F404-T406 PolarHBondContact O-N 2.92Å; F404-Q407 PolarHBondContact O-N 3.09Å; F404-Y408 HydrophobicContact CZ-CD2 4.3Å; F404-Y408 VanDerWaalsContact O-CB 3.25Å; F404-Y408 WeakPolarHBondContact O-CB 3.39Å; F404-Y408 PolarHBondContact O-N 2.97Å
405L84.1Confident79.9Confident6 Ų667 Ų673%0.03133%0.333CS..Hα-helixtrans-58.5-42.8176.1-69.7164000111.7Y341 F343 V356 I358 A401 Y408 K409 M422Y341-L405 HydrophobicContact CD1-CD1 3.95Å; Y341-L405 HydrophobicContact CD1-CD2 4.41Å; Y341-L405 HydrophobicContact CD2-CD1 3.57Å; Y341-L405 HydrophobicContact CD2-CD2 3.82Å; Y341-L405 HydrophobicContact CD2-CG 4.35Å; Y341-L405 HydrophobicContact CE1-CD1 3.83Å; Y341-L405 HydrophobicContact CE2-CD1 3.42Å; Y341-L405 VanDerWaalsContact CE2-CD1 3.42Å; Y341-L405 HydrophobicContact CG-CD1 3.83Å; Y341-L405 HydrophobicContact CG-CD2 3.75Å; Y341-L405 HydrophobicContact CG-CG 4.46Å; F343-L405 HydrophobicContact CE2-CD2 3.78Å; F343-L405 HydrophobicContact CZ-CB 4.27Å; F343-L405 HydrophobicContact CZ-CD2 3.65Å; V356-L405 HydrophobicContact CB-CD2 4.18Å; V356-L405 HydrophobicContact CG1-CD2 4.13Å; I358-L405 HydrophobicContact CD1-CD1 3.81Å; I358-L405 HydrophobicContact CD1-CD2 4.08Å; I358-L405 HydrophobicContact CD1-CG 4Å; A401-L405 WeakPolarHBondContact O-CG 3.36Å; A401-L405 PolarHBondContact O-N 2.96Å; L405-Y408 PolarHBondContact O-N 3.42Å; L405-K409 PolarHBondContact O-N 2.88Å; L405-M422 HydrophobicContact CB-SD 4.29Å
406T81.8Confident79.7Confident97 Ų9767.1 Ų67.160%0.59534%0.335SS*.Hα-helixtrans-64.2-43.4177.5-54.80000112E402 R403 F404 G410E402-T406 WeakPolarHBondContact O-CB 3.28Å; E402-T406 PolarHBondContact O-N 3.16Å; E402-T406 VanDerWaalsContact O-N 3.12Å; E402-T406 PolarHBondContact O-OG1 2.95Å; R403-T406 PolarHBondContact O-N 3.05Å; F404-T406 VanDerWaalsContact C-N 3.3Å; F404-T406 PolarHBondContact O-N 2.92Å; T406-G410 PolarHBondContact O-N 2.89Å
407Q81.3Confident79.6Confident139 Ų13975.3 Ų75.365%0.6537%0.366SS*.Hα-helixtrans-68.3-38.7175.1-74.5-178.8-12.500112R403 F404 G410 V411R403-Q407 WeakPolarHBondContact O-CB 3.43Å; R403-Q407 WeakPolarHBondContact O-CG 3.39Å; R403-Q407 PolarHBondContact O-N 3.05Å; F404-Q407 PolarHBondContact O-N 3.09Å; Q407-G410 CarbonylContact O-C 3.58Å; Q407-G410 PolarHBondContact O-N 3.41Å; Q407-V411 WeakPolarHBondContact O-CG2 3.23Å; Q407-V411 PolarHBondContact O-N 3.41Å
408Y83.1Confident79.4Confident46 Ų4674.4 Ų74.418%0.1836%0.36CS..Hα-helixtrans-62.6-44.1178.5-168.3-104.8000111.1F343 T354 V356 I371 F404 L405 G410 V411 Y412F343-Y408 HydrophobicContact CD1-CD1 4.5Å; F343-Y408 HydrophobicContact CD2-CD1 4.19Å; F343-Y408 HydrophobicContact CD2-CE1 4.37Å; F343-Y408 HydrophobicContact CE1-CD1 4.38Å; F343-Y408 HydrophobicContact CE2-CD1 4.08Å; F343-Y408 HydrophobicContact CG-CD1 4.4Å; F343-Y408 HydrophobicContact CZ-CD1 4.17Å; T354-Y408 HydrophobicContact CG2-CE1 4.09Å; T354-Y408 WeakPolarHBondContact CG2-OH 3.33Å; V356-Y408 HydrophobicContact CG2-CD1 4.08Å; V356-Y408 HydrophobicContact CG2-CE1 3.99Å; I371-Y408 HydrophobicContact CD1-CE2 3.97Å; F404-Y408 HydrophobicContact CZ-CD2 4.3Å; F404-Y408 VanDerWaalsContact O-CB 3.25Å; F404-Y408 WeakPolarHBondContact O-CB 3.39Å; F404-Y408 PolarHBondContact O-N 2.97Å; L405-Y408 PolarHBondContact O-N 3.42Å; Y408-G410 PolarHBondContact O-N 3.23Å; Y408-V411 PolarHBondContact O-N 3.38Å; Y408-Y412 WeakPolarHBondContact O-CB 3.36Å; Y408-Y412 PolarHBondContact O-N 2.97Å
409K82.2Confident79.3Confident55 Ų5577 Ų7724%0.23937%0.374CS..Hα-helixtrans-50.8-57.5169.4-163.8-176.6-170.4-72.40111F343 L405 V411 Y412 E413 V420F343-K409 HydrophobicContact CD1-CB 4.4Å; F343-K409 HydrophobicContact CD1-CG 4.5Å; F343-K409 HydrophobicContact CE1-CB 3.94Å; F343-K409 HydrophobicContact CE1-CG 4.39Å; L405-K409 PolarHBondContact O-N 2.88Å; K409-V411 PolarHBondContact O-N 2.88Å; K409-V411 VanDerWaalsContact O-N 3.16Å; K409-Y412 PolarHBondContact O-N 3.32Å; K409-E413 IonicContact NZ-OE1 3.59Å; K409-E413 PolarHBondContact NZ-OE1 3.17Å; K409-E413 WeakPolarHBondContact O-CB 3.28Å; K409-E413 VanDerWaalsContact O-CG 3.25Å; K409-E413 WeakPolarHBondContact O-CG 3.44Å; K409-E413 PolarHBondContact O-N 3.49Å; K409-V420 WeakPolarHBondContact CE-O 3.4Å; K409-V420 HydrophobicContact CG-CB 4.26Å; K409-V420 HydrophobicContact CG-CG1 4.28Å; K409-V420 PolarHBondContact NZ-O 2.95Å
410G77.9Confident79.7Confident19 Ų1972.4 Ų72.420%0.19635%0.35CS..Hα-helixtrans-73-1.8-176.700000116.3T406 Q407 Y408 K414T406-G410 PolarHBondContact O-N 2.89Å; Q407-G410 CarbonylContact O-C 3.58Å; Q407-G410 PolarHBondContact O-N 3.41Å; Y408-G410 PolarHBondContact O-N 3.23Å; G410-K414 VanDerWaalsContact O-CD 3.23Å; G410-K414 WeakPolarHBondContact O-CD 3.24Å; G410-K414 WeakPolarHBondContact O-CE 3.31Å; G410-K414 WeakPolarHBondContact O-CG 3.2Å; G410-K414 PolarHBondContact O-NZ 3.28Å; G410-K414 VanDerWaalsContact O-NZ 3.09Å
411V82.8Confident79.6Confident70 Ų7079.3 Ų79.342%0.42437%0.373SS..Hα-helixtrans-96.4-48.4165.6169.80000109.6Q407 Y408 K409 E413 K414 D415Q407-V411 WeakPolarHBondContact O-CG2 3.23Å; Q407-V411 PolarHBondContact O-N 3.41Å; Y408-V411 PolarHBondContact O-N 3.38Å; K409-V411 PolarHBondContact O-N 2.88Å; K409-V411 VanDerWaalsContact O-N 3.16Å; V411-E413 VanDerWaalsContact C-N 3.28Å; V411-E413 PolarHBondContact O-N 2.97Å; V411-K414 WeakPolarHBondContact O-CA 3.38Å; V411-K414 WeakPolarHBondContact O-CB 3.43Å; V411-K414 PolarHBondContact O-N 3.39Å; V411-D415 PolarHBondContact O-N 3.37Å
412Y78.1Confident79.9Confident22 Ų2283.2 Ų83.29%0.08639%0.391CS..Hα-helixtrans-59.3-38.4178.5-161.3-128.5000111.8F343 T354 Y408 K409 K414 D415 V416 V420F343-Y412 HydrophobicContact CB-CD1 4.35Å; F343-Y412 HydrophobicContact CB-CE1 4.44Å; T354-Y412 PolarHBondContact OG1-OH 2.95Å; Y408-Y412 WeakPolarHBondContact O-CB 3.36Å; Y408-Y412 PolarHBondContact O-N 2.97Å; K409-Y412 PolarHBondContact O-N 3.32Å; Y412-K414 VanDerWaalsContact C-N 3.28Å; Y412-K414 PolarHBondContact O-N 3.15Å; Y412-D415 PolarHBondContact O-N 2.82Å; Y412-V416 HydrophobicContact CD2-CG2 3.74Å; Y412-V416 HydrophobicContact CE2-CG2 3.63Å; Y412-V416 HydrophobicContact CG-CG2 4.26Å; Y412-V416 WeakPolarHBondContact O-CB 3.07Å; Y412-V416 WeakPolarHBondContact O-CG2 3.4Å; Y412-V416 PolarHBondContact O-N 3.26Å; Y412-V420 HydrophobicContact CD1-CB 4.49Å; Y412-V420 HydrophobicContact CD1-CG1 4.01Å; Y412-V420 HydrophobicContact CD1-CG2 3.58Å; Y412-V420 HydrophobicContact CE1-CG2 4.37Å; Y412-V420 HydrophobicContact CG-CG2 4.31Å
413E81.1Confident80Confident55 Ų5581.3 Ų81.326%0.25739%0.388SS..Hα-helixtrans-59.8-33.1171.9-72.9174152.600113.6K409 V411 K417 C418 V420K409-E413 IonicContact NZ-OE1 3.59Å; K409-E413 PolarHBondContact NZ-OE1 3.17Å; K409-E413 WeakPolarHBondContact O-CB 3.28Å; K409-E413 VanDerWaalsContact O-CG 3.25Å; K409-E413 WeakPolarHBondContact O-CG 3.44Å; K409-E413 PolarHBondContact O-N 3.49Å; V411-E413 VanDerWaalsContact C-N 3.28Å; V411-E413 PolarHBondContact O-N 2.97Å; E413-K417 WeakPolarHBondContact O-CA 3.4Å; E413-K417 PolarHBondContact O-N 3.45Å; E413-C418 WeakPolarHBondContact CA-O 3.38Å; E413-C418 WeakPolarHBondContact CG-O 3.42Å; E413-C418 PolarHBondContact O-N 3.14Å; E413-V420 HydrophobicContact CB-CG2 4.33Å; E413-V420 HydrophobicContact CG-CB 3.6Å; E413-V420 HydrophobicContact CG-CG2 3.41Å; E413-V420 VanDerWaalsContact CG-CG2 3.41Å; E413-V420 PolarHBondContact OE1-N 3.33Å
414K79.1Confident79.9Confident153 Ų15378.5 Ų78.567%0.66538%0.381SS*.Hα-helixtrans-83.5-39.8179.8-68.5172.6-173.2145.90112.3G410 V411 Y412 K417G410-K414 VanDerWaalsContact O-CD 3.23Å; G410-K414 WeakPolarHBondContact O-CD 3.24Å; G410-K414 WeakPolarHBondContact O-CE 3.31Å; G410-K414 WeakPolarHBondContact O-CG 3.2Å; G410-K414 PolarHBondContact O-NZ 3.28Å; G410-K414 VanDerWaalsContact O-NZ 3.09Å; V411-K414 WeakPolarHBondContact O-CA 3.38Å; V411-K414 WeakPolarHBondContact O-CB 3.43Å; V411-K414 PolarHBondContact O-N 3.39Å; Y412-K414 VanDerWaalsContact C-N 3.28Å; Y412-K414 PolarHBondContact O-N 3.15Å; K414-K417 WeakPolarHBondContact O-CG 3.34Å
415D75.6Confident78.8Confident124 Ų12481 Ų8166%0.66340%0.396SS*.Hα-helixtrans-69.9-41.2-179.7-71.3-10.9000111V411 Y412V411-D415 PolarHBondContact O-N 3.37Å; Y412-D415 PolarHBondContact O-N 2.82Å
416V74.4Confident77.4Confident27 Ų2784.9 Ų84.916%0.16442%0.424CS..Hα-helixtrans-94.2-13.5-178.5-163.30000112.1V347 Y412 C418V347-V416 HydrophobicContact CG2-CG1 3.8Å; Y412-V416 HydrophobicContact CD2-CG2 3.74Å; Y412-V416 HydrophobicContact CE2-CG2 3.63Å; Y412-V416 HydrophobicContact CG-CG2 4.26Å; Y412-V416 WeakPolarHBondContact O-CB 3.07Å; Y412-V416 WeakPolarHBondContact O-CG2 3.4Å; Y412-V416 PolarHBondContact O-N 3.26Å; V416-C418 VanDerWaalsContact CG1-SG 3.51Å
417K75.7Confident75.5Confident186 Ų18684 Ų8481%0.80944%0.435SS*.THydrogen-bonded Turntrans59.442.5176.2-59.3-177.2-1791770114.5E413 K414E413-K417 WeakPolarHBondContact O-CA 3.4Å; E413-K417 PolarHBondContact O-N 3.45Å; K414-K417 WeakPolarHBondContact O-CG 3.34Å
418C74.1Confident72.9Confident24 Ų2485 Ų8516%0.16244%0.444CS..SBendtrans-146161.4-176.857.10000110.2C345 V347 E413 V416 V420C345-C418 HydrophobicContact CB-CB 4.39Å; C345-C418 WeakPolarHBondContact CB-SG 3.35Å; C345-C418 VanDerWaalsContact SG-C 3.52Å; C345-C418 WeakPolarHBondContact SG-CB 3.26Å; C345-C418 CovalentContact SG-SG 2.02Å; C345-C418 PolarHBondContact SG-SG 3.33Å; V347-C418 HydrophobicContact CG2-CB 3.49Å; V347-C418 VanDerWaalsContact CG2-CB 3.49Å; V347-C418 WeakPolarHBondContact CG2-SG 3.15Å; E413-C418 WeakPolarHBondContact CA-O 3.38Å; E413-C418 WeakPolarHBondContact CG-O 3.42Å; E413-C418 PolarHBondContact O-N 3.14Å; V416-C418 VanDerWaalsContact CG1-SG 3.51Å; C418-V420 PolarHBondContact O-N 2.99Å
419E74.2Confident70.4Confident158 Ų15889.9 Ų89.974%0.73848%0.479SS*.PPolyproline II helixtrans-77.8119.2174.7-171.7-174.9163.800110.2C345C345-E419 VanDerWaalsContact SG-C 3.5Å; C345-E419 PolarHBondContact SG-O 2.98Å
420V84.3Confident67.8Low1 Ų190.6 Ų90.61%0.00650%0.502CS..PPolyproline II helixtrans-91.1128.8-176.7173.60000109.7F343 E344 C345 K409 Y412 E413 C418F343-V420 HydrophobicContact CB-CG1 3.9Å; F343-V420 HydrophobicContact CD1-CG1 3.87Å; F343-V420 HydrophobicContact CG-CG1 4.4Å; E344-V420 WeakPolarHBondContact O-CA 3.39Å; C345-V420 HydrophobicContact CB-CG2 4Å; C345-V420 WeakPolarHBondContact SG-CG2 3.29Å; K409-V420 WeakPolarHBondContact CE-O 3.4Å; K409-V420 HydrophobicContact CG-CB 4.26Å; K409-V420 HydrophobicContact CG-CG1 4.28Å; K409-V420 PolarHBondContact NZ-O 2.95Å; Y412-V420 HydrophobicContact CD1-CB 4.49Å; Y412-V420 HydrophobicContact CD1-CG1 4.01Å; Y412-V420 HydrophobicContact CD1-CG2 3.58Å; Y412-V420 HydrophobicContact CE1-CG2 4.37Å; Y412-V420 HydrophobicContact CG-CG2 4.31Å; E413-V420 HydrophobicContact CB-CG2 4.33Å; E413-V420 HydrophobicContact CG-CB 3.6Å; E413-V420 HydrophobicContact CG-CG2 3.41Å; E413-V420 VanDerWaalsContact CG-CG2 3.41Å; E413-V420 PolarHBondContact OE1-N 3.33Å; C418-V420 PolarHBondContact O-N 2.99Å
421R79.2Confident65.5Low193 Ų19399.4 Ų99.473%0.72854%0.538SS*.EExtended strand (participates in β ladder)trans-89.2136.5167.8-70-176170.3-171.3-4109.8F343 E344F343-R421 CarbonylContact C-O 3.53Å; F343-R421 WeakPolarHBondContact CA-O 3.36Å; E344-R421 PolarHBondContact N-O 2.93Å; E344-R421 PolarHBondContact O-N 3.28Å
422M84.9Confident62.6Low86 Ų8699.7 Ų99.742%0.42456%0.555SS.*EExtended strand (participates in β ladder)trans-116.9123.8177.7-176-175.577.900109T342 F343 L405T342-M422 CarbonylContact O-C 3.52Å; T342-M422 WeakPolarHBondContact O-CA 3.18Å; F343-M422 HydrophobicContact CD1-CB 4.03Å; F343-M422 HydrophobicContact CD1-CG 3.96Å; F343-M422 HydrophobicContact CD1-SD 4.48Å; F343-M422 HydrophobicContact CE1-CB 3.92Å; F343-M422 HydrophobicContact CE1-CG 3.51Å; F343-M422 HydrophobicContact CE1-SD 3.48Å; F343-M422 WeakPolarHBondContact CE1-SD 3.44Å; F343-M422 HydrophobicContact CE2-CG 4.33Å; F343-M422 HydrophobicContact CZ-CG 3.72Å; F343-M422 HydrophobicContact CZ-SD 3.51Å; F343-M422 VanDerWaalsContact CZ-SD 3.51Å; L405-M422 HydrophobicContact CB-SD 4.29Å
423S79.6Confident60.5Low51 Ų51104.9 Ų104.936%0.35759%0.591SS.*EExtended strand (participates in β ladder)trans-116.2159.4173.360.40000111Y341 T342Y341-S423 CarbonylContact C-O 3.52Å; Y341-S423 WeakPolarHBondContact CA-O 3.48Å; T342-S423 PolarHBondContact N-O 2.92Å; T342-S423 PolarHBondContact O-N 3.43Å; T342-S423 PolarHBondContact O-OG 2.9Å
424H80.1Confident58.2Low85 Ų85107.6 Ų107.639%0.39461%0.614SS.*EExtended strand (participates in β ladder)trans-132.7129.5-176.6171.7-129.7000109.1D339 Y341D339-H424 IonicContact OD1-CD2 2.74Å; D339-H424 IonicContact OD1-CE1 3.01Å; D339-H424 PolarHBondContact OD1-CE1 3.3Å; D339-H424 IonicContact OD1-NE2 2.91Å; D339-H424 PolarHBondContact OD1-NE2 2.7Å; Y341-H424 HydrophobicContact CD1-CB 3.77Å; Y341-H424 AromaticContact CD1-CD2 3.83Å; Y341-H424 HydrophobicContact CE1-CB 3.64Å; Y341-H424 AromaticContact CE1-CD2 3.35Å; Y341-H424 WeakPolarHBondContact CE1-CD2 3.47Å; Y341-H424 AromaticContact CE1-CG 3.55Å; Y341-H424 AromaticContact CE2-CD2 3.94Å; Y341-H424 AromaticContact CZ-CD2 3.4Å; Y341-H424 VanDerWaalsContact CZ-CD2 3.4Å; Y341-H424 AromaticContact CZ-NE2 3.83Å
425N60.7Low55.6Low103 Ų103105.7 Ų105.755%0.55162%0.619SS**EExtended strand (participates in β ladder)trans-119.2105.7178.8-74-34.3000108.9D340D340-N425 HydrophobicContact CB-CB 4.48Å; D340-N425 PolarHBondContact N-O 3.43Å; D340-N425 PolarHBondContact O-N 2.92Å
426S55.3Low53.8Low88 Ų88105 Ų10562%0.61562%0.622SS**  trans-94.1120.9169.3-168.40000109.2
427G40.9Very low51.3Low80 Ų80108.7 Ų108.783%0.82565%0.649SS**  trans-89.5111.6-173.300000112.8
428N28.7Very low49.1Very low159 Ų159107.8 Ų107.885%0.8565%0.645SS**  trans-135.5137.1169.4-165.121.2000110.5
429V30.5Very low46.9Very low148 Ų148111.7 Ų111.790%0.89766%0.664SS**  trans-98.6120.6-166.8178.20000111.8
430G27.4Very low44.6Very low71 Ų71113.4 Ų113.473%0.73267%0.672SS**  trans-160153.217400000111.4
431Q28.9Very low41.9Very low204 Ų204117 Ų11795%0.95371%0.71SS**  trans-102.4118.6-165.1-70.5-171.4-26.200115.8
432G22.9Very low39.3Very low75 Ų75116.3 Ų116.377%0.77372%0.721SS**  trans62.1-177.5150.900000119
433P33.4Very low36.5Very low131 Ų131115.4 Ų115.485%0.85173%0.733SS**  cis-109.8-176.4-22.439.8-26.6000111.7
434P32.4Very low34Very low113 Ų113121.1 Ų121.173%0.73476%0.758SS**  trans-105.1152.4-154.838.1-35.6000119.3
435S25Very low31.5Very low112 Ų112122.7 Ų122.778%0.78378%0.779SS**  trans70.9168.5151.781.50000118.6
436P37.9Very low30.2Very low109 Ų109123.4 Ų123.471%0.70879%0.789SS**  cis-135.5179.6-7.541.9-25.4000116.7
437S21.8Very low28.7Very low105 Ų105126.7 Ų126.773%0.73480%0.799SS**  trans87.1130.2141.174.10000124.8
438K28.6Very low27.9Very low167 Ų167128.3 Ų128.373%0.72679%0.792SS**  trans78.5129.8132.8-82.5-170.6150.8-71.20125.1
439D27.5Very low27.9Very low106 Ų106128.2 Ų128.257%0.56779%0.787SS**  trans64.8130.5137.2-49.9-13.3000123.9
440E27.2Very low27.7Very low194 Ų194127 Ų12791%0.90778%0.78SS**  trans36.5141.1137.5-59.5-178.396.600123.1
441G26.6Very low27.6Very low77 Ų77128.4 Ų128.479%0.79478%0.778SS**  trans150.4112154.700000115.9
442D25.3Very low27.9Very low179 Ų179125.1 Ų125.196%0.95777%0.772SS**  trans-62.2155.4171.8-64.7-72.8000113.9
443G25.2Very low28.7Very low67 Ų67129.8 Ų129.869%0.69178%0.778SS**  trans163.695.7157.700000119.3
444I27.9Very low28.6Very low171 Ų171126.1 Ų126.188%0.87776%0.764SS**  trans20.2123142.342.9172.4000121.3
445S26.5Very low28.8Very low118 Ų118131.1 Ų131.183%0.82577%0.774SS**  trans-56.6156.1164.3-37.20000113.7
446P33.8Very low29.1Very low118 Ų118129.1 Ų129.177%0.76677%0.771SS**  -156.614898.639.4-20.6000119.2
447L25Very low28.8Very low157 Ų157130 Ų13082%0.82277%0.774SS**  54.7130.3123.9-160.365.8000124.1
448V24.4Very low29.4Very low113 Ų113133.6 Ų133.669%0.68578%0.777SS**  trans68.1125.3153.7156.50000118.1
449Q27.3Very low29.5Very low158 Ų158135 Ų13574%0.73879%0.786SS**  cis103.4141.233.7-172.3-166.163.100113.5
450T25.7Very low29.8Very low123 Ų123141.2 Ų141.276%0.75580%0.801SS**  trans76.7160.8179.883.40000115.5
451S26.5Very low31Very low99 Ų99137 Ų13769%0.69279%0.791SS**  cis-148.4140.87.1-68.50000109.1
452V34.5Very low32.7Very low135 Ų135138.6 Ų138.682%0.81879%0.787SS**  71.4113.369.1-1790000116.8
453L39.8Very low34Very low173 Ų173135.3 Ų135.391%0.90678%0.776SS**  147.4138.5119.8-16557.4000118.6
454G31Very low34.1Very low55 Ų55139 Ų13957%0.56778%0.778SS**  trans127.9138.7144.600000115.8
455K37.3Very low33.9Very low217 Ų217139.3 Ų139.394%0.94377%0.773SS**  cis-151.21712.6-57175.6-172167.60108
456G30.4Very low33.9Very low70 Ų70141 Ų14172%0.72277%0.772SS**  cis-166.5-81.611.900000120
457V31.6Very low34.6Very low127 Ų127140.7 Ų140.777%0.7777%0.77SS**  trans-154.6156.1-132.9152.50000113.8
458K35.5Very low34.7Very low181 Ų181138.4 Ų138.479%0.78777%0.767SS**  cis-174.3145.9-29.3-85.3171-175.6169.50108.6
459H31.3Very low34.8Very low196 Ų196136.2 Ų136.291%0.90777%0.768SS**  trans-163.1-174.9139.6-116.7-85.1000112.9
460R33Very low34.9Very low237 Ų237135 Ų13589%0.89478%0.776SS**  trans-118.4170.3-144.6-95.4-164.7142.7173.6-5.7119.4
461P52.8Low35.1Very low107 Ų107132.2 Ų132.270%0.69577%0.772SS**  trans-127.4-132-161.744.5-25.4000112.6
462P62.8Low35.2Very low109 Ų109133 Ų13371%0.70878%0.778SS**  -108.1-130.3-52.239.5-21.8000109.1
463P50.8Low34.8Very low111 Ų111132.8 Ų132.872%0.72178%0.782SS**  cis-99-137.3-40.4185.7000112.5
464I27.4Very low34.5Very low143 Ų143129.9 Ų129.973%0.73378%0.776SS**  cis-151.512312.2-69.2178.2000107.6
465K24Very low34.5Very low179 Ų179132.7 Ų132.778%0.77879%0.787SS**  57.4114.996-64.7-172.6179.3-176.90117.4
466L28.1Very low33.9Very low152 Ų152125.7 Ų125.780%0.79678%0.777SS**  82.4164.170.7-80.2179.2000114.2
467P47.8Very low33.7Very low113 Ų113130.1 Ų130.173%0.73478%0.784SS**  cis-91.1-157.61.743.4-39.4000112.1
468S26.7Very low34.5Very low108 Ų108128.5 Ų128.576%0.75578%0.776SS**  cis-147.3171.56.9-94.60000109.2
469G27.4Very low34Very low68 Ų68130.6 Ų130.670%0.70178%0.781SS**  cis111.9134.30.200000114
470S29.2Very low33.7Very low131 Ų131126.1 Ų126.192%0.91677%0.771SS**  cis-168.4146.2-11-159.80000113
471G28.8Very low33.5Very low65 Ų65120.3 Ų120.367%0.6777%0.767SS**  trans106.5145.5151.800000118.8
472S29.2Very low32.2Very low117 Ų117123.5 Ų123.582%0.81877%0.773SS**  cis-163.6163.1-5.2-770000112.4
473S26.8Very low30.4Very low129 Ų129124.4 Ų124.490%0.90278%0.776SS**  trans102.8160.3165.8-49.70000118.8
474S32Very low29.2Very low112 Ų112124.6 Ų124.678%0.78378%0.776SS**  trans-148.5-176.7-179.161.80000109.7
475S32.1Very low29.2Very low114 Ų114123.9 Ų123.980%0.79778%0.783SS**  cis-154.7-166.719.6-320000108.7
476G24.4Very low29.6Very low71 Ų71118.6 Ų118.673%0.73278%0.779SS**  cis153.3132-4.100000113.8
477N26.5Very low29.7Very low163 Ų163119.3 Ų119.387%0.87278%0.783SS**  trans69-169.9171.6-127.521.3000116.1
478P47.4Very low29Very low92 Ų92121.1 Ų121.160%0.59779%0.786SS**  -133-174.5-101.341.7-23000118.3
479Y26.1Very low28.8Very low226 Ų226125.9 Ų125.989%0.88679%0.793SS**  trans69.7124.5160.2-86.3-80.7000122.7
480S25.4Very low29Very low101 Ų101128 Ų12871%0.70680%0.796SS**  trans67.9150.5135.3-157.60000123.9
481S28.4Very low29.6Very low115 Ų115127.4 Ų127.480%0.80479%0.789SS**  trans103.4151145.6-56.80000120.2
482Q24.8Very low29.7Very low175 Ų175130.3 Ų130.382%0.81879%0.794SS**  trans-82.2154-168.9-56158.6-16.700112.8
483T25.5Very low30.6Very low127 Ų127129.9 Ų129.978%0.77979%0.788SS**  167.6145.1108.537.20000116
484T24.6Very low31.4Very low116 Ų116129.5 Ų129.571%0.71278%0.783SS**  trans-0.2140.7156.855.90000124.2
485S28.3Very low32.4Very low127 Ų127129.4 Ų129.489%0.88878%0.779SS**  trans70.5161.8141.569.70000119.6
486G31.6Very low33.5Very low68 Ų68129.4 Ų129.470%0.70178%0.777SS**  trans-162.7169-179.600000113.6
487L31.5Very low33.8Very low167 Ų167130.1 Ų130.187%0.87478%0.776SS**  trans-160.4138.4179-111.7147000114.1
488L32.6Very low34Very low152 Ų152131.9 Ų131.980%0.79678%0.775SS**  trans-17.9142.2169.1-53.6168.2000120.7
489K23.4Very low33.2Very low207 Ų207132.2 Ų132.290%0.978%0.78SS**  -169.5164.3104.7-118.5170.5-179.2170.10115.9
490C31.7Very low33.3Very low112 Ų112130.5 Ų130.576%0.75778%0.78SS**  trans-123.3-178.3-178.7-41.40000111.5
491P41.5Very low33.6Very low119 Ų119130.2 Ų130.277%0.77378%0.778SS**  trans-139.2153.1143.837.5-24.3000114.6
492T29.2Very low33.6Very low126 Ų126132.4 Ų132.477%0.77378%0.78SS**  cis-154.5-53.9-29.5-53.60000112.2
493P49.8Very low33.7Very low108 Ų108131.6 Ų131.670%0.70178%0.781SS**  trans-133-166.2-152.246.8-29.1000113.5
494P42.9Very low33.7Very low122 Ų122136.1 Ų136.179%0.79278%0.784SS**  cis-122.3-96.6-3.627.1-0.3000114.8
495P53.6Low33.8Very low109 Ų109139.1 Ų139.171%0.70879%0.787SS**  trans-131-153.3-162.145.1-21000112.2
496P53.6Low33.7Very low115 Ų115141.2 Ų141.275%0.74778%0.783SS**  cis-130.3175.9-14.141.4-25000116.3
497A32.4Very low33.4Very low85 Ų85142.2 Ų142.270%0.70278%0.779SS**  trans22.9136.2148.600000123
498K30.5Very low33.3Very low200 Ų200142.3 Ų142.387%0.8778%0.777SS**  cis-159.7170-2-117172.6-174.3179.80112
499S30.6Very low33.1Very low99 Ų99142.8 Ų142.869%0.69278%0.775SS**  trans-54.2170.4-177.952.50000117.3
500Q27.7Very low33.3Very low190 Ų190140.7 Ų140.789%0.88877%0.773SS**  cis-154.3-157.318.1-144.3158.7-4.800113.1
501S31Very low33Very low95 Ų95138.2 Ų138.266%0.66477%0.766SS**  trans-126.4147.7-156.852.30000118.2
502L29.4Very low32.5Very low161 Ų161141.9 Ų141.984%0.84377%0.773SS**  155.5124.1125.8-83.6172000116.1
503N26.2Very low32.4Very low158 Ų158142.6 Ų142.685%0.84578%0.777SS**  trans42.3146.9139-144.1-13.5000124.5
504R25.8Very low31.2Very low223 Ų223140.3 Ų140.384%0.84277%0.773SS**  trans97.794.2148.9-160.4-179.4-171.4168.32.9121.6
505K26.5Very low30.5Very low179 Ų179142.4 Ų142.478%0.77878%0.777SS**  trans50.4150.1140.2-73.3-163.3173.3-169.40123.1
506H25.5Very low29.3Very low171 Ų171144.6 Ų144.679%0.79278%0.781SS**  trans70.2162.8167.8-71.7-82.2000116
507S26.8Very low28.2Very low89 Ų89144.3 Ų144.362%0.62278%0.782SS**  cis173.1158.2-30.4-173.90000107.6
508M28.9Very low28.5Very low168 Ų168146.6 Ų146.683%0.82879%0.79SS**  trans69137.8-179.9-64.4163.2169.100113.5
509E27.2Very low28.4Very low162 Ų162141.2 Ų141.276%0.75778%0.782SS**  cis102.7138.923.2-172.6175-178.100113.4
510L28.7Very low28.6Very low164 Ų164141.1 Ų141.186%0.85978%0.782SS**  trans66.6136.1-175.4-103.464.3000116.3
511G25.3Very low28.7Very low59 Ų59140.4 Ų140.461%0.60878%0.783SS**  cis163.1152.7-11.400000113.7
512Q31.5Very low28.5Very low196 Ų196140.7 Ų140.792%0.91679%0.785SS**  trans65.3144.5178.1-45.1179.919.800113.6
513V26.4Very low28.9Very low141 Ų141139.3 Ų139.386%0.85579%0.786SS**  cis-129.7170.14.4-74.70000108.2
514G25.5Very low28.9Very low60 Ų60140.2 Ų140.262%0.61979%0.787SS**  cis151.3164.93.700000108.8
515L28.3Very low29Very low167 Ų167132.7 Ų132.787%0.87478%0.779SS**  trans67.3137.7177.8-52.7178.6000114.7
516L26.8Very low29.1Very low154 Ų154129.4 Ų129.481%0.80678%0.779SS**  cis-148.9164.7-1.2-103.4152.8000109.1
517S31.8Very low29.4Very low109 Ų109127.2 Ų127.276%0.76278%0.778SS**  trans-130.3136165.4-56.50000110
518P37.7Very low29.5Very low133 Ų133132.2 Ų132.286%0.86479%0.791SS**  trans-81.2143.9167.233.1-31.9000110.6
519A28.3Very low29.7Very low87 Ų87135.4 Ų135.472%0.71979%0.794SS**  trans-106.8134.5-177.400000110.2
520S35.8Very low29.8Very low97 Ų97134 Ų13468%0.67880%0.802SS**  67.2133.697.184.70000116.1
521L28.5Very low29.6Very low176 Ų176129.8 Ų129.892%0.92180%0.798SS**  trans-125.8102.2151.9-76.1178.4000109.9
522S28.6Very low30.1Very low101 Ų101133.7 Ų133.771%0.70681%0.81SS**  trans-104.6163.4149.5-65.20000107.8
523P35.9Very low30.3Very low132 Ų132130.5 Ų130.586%0.85781%0.807SS**  trans-60.6147.8177.6-23.534.8000113.7
524M27.2Very low30.5Very low176 Ų176133.1 Ų133.187%0.86781%0.806SS**  trans-52.2154.7168.4-134.466.678.300110.8
525G27.9Very low31.4Very low65 Ų65135.8 Ų135.867%0.6781%0.813SS**  cis83145.424.600000111.4
526S28.6Very low31.4Very low111 Ų111132.9 Ų132.978%0.77681%0.807SS**  cis-161.5160-3.455.70000112.6
527T30.7Very low31.6Very low125 Ų125131.8 Ų131.877%0.76781%0.806SS**  trans-35.1148162.7-8.30000116.3
528Q30.6Very low32.3Very low193 Ų193132.5 Ų132.590%0.90281%0.808SS**  -178.5-163.195.2-127.8174.7102.200114.6
529R31.8Very low32Very low236 Ų236132 Ų13289%0.89180%0.803SS**  trans-146.8124.9-154.5174.6-160.2-167.4-150.18.5113
530S29.3Very low33.2Very low132 Ų132133.1 Ų133.192%0.92380%0.803SS**  trans175.1152.5142-1650000111.4
531G25.4Very low32.9Very low75 Ų75134.3 Ų134.377%0.77381%0.806SS**  trans129.6123.416900000115.2
532T35.1Very low33Very low142 Ų142132.7 Ų132.787%0.87180%0.799SS**  trans-112.6147.7166.4500000108.5
533P35.8Very low33.2Very low129 Ų129133.2 Ų133.284%0.83880%0.798SS**  -143.2-179.683.536.7-18.4000115.5
534K30.9Very low33.8Very low195 Ų195132.6 Ų132.685%0.84879%0.794SS**  trans-66.6163.7167.4-94.6-178.8178.4-179.90111.6
535P44.7Very low34Very low117 Ų117129.6 Ų129.676%0.7679%0.789SS**  cis-104.7-155.825.122.80000112.3
536S27.7Very low33.9Very low106 Ų106131.6 Ų131.674%0.74179%0.793SS**  cis-152.2179.617.3-54.50000113.9
537T31.4Very low34Very low130 Ų130132.2 Ų132.280%0.79879%0.792SS**  trans-130.2170171.910.60000108.5
538P47.2Very low34.8Very low124 Ų124132.1 Ų132.181%0.80579%0.794SS**  cis-134.5170.729.840.3-21.2000119.3
539T30.4Very low34.9Very low124 Ų124131.1 Ų131.176%0.76179%0.788SS**  trans-79.2-173.1171.8110000113
540P53.6Low35.9Very low110 Ų110124.9 Ų124.971%0.71478%0.779SS**  cis-116.8-161.111.934.9-12.7000113
541T30.7Very low36Very low121 Ų121124.3 Ų124.374%0.74277%0.77SS**  cis-155.9178.911.9-190000107.2
542N30.5Very low36.1Very low142 Ų142127.8 Ų127.876%0.75977%0.771SS**  cis-155.8-177.70.5-161.817000110.7
543T31.6Very low35.8Very low113 Ų113125.1 Ų125.169%0.69376%0.763SS**  trans-140.2-171.6174-10.80000110.5
544P49.7Very low35.7Very low118 Ų118126.9 Ų126.977%0.76676%0.764SS**  cis-115.2157.527.110.616.5000115.3
545C29.9Very low35.5Very low113 Ų113123.5 Ų123.576%0.76477%0.765SS**  79.5144.471.8-129.40000113.8
546S26.5Very low34.8Very low108 Ų108124.3 Ų124.376%0.75577%0.768SS**  cis-152.2170.224.7-52.50000115.2
547T31.2Very low35.6Very low123 Ų123124 Ų12476%0.75576%0.764SS**  trans-124.5169.8169.1-26.70000110.2
548P46Very low35.6Very low124 Ų124125.3 Ų125.381%0.80577%0.765SS**  -154.3171.198.239.7-20.8000117.7
549H34.1Very low34.6Very low171 Ų171123.8 Ų123.879%0.79276%0.757SS**  trans-107-178.1160.8-83-84.7000110.2
550P52.5Low34.5Very low106 Ų106123.4 Ų123.469%0.68876%0.755SS**  -157.3157100.242.5-24.4000118.8
551T31.1Very low33.2Very low120 Ų120124.5 Ų124.574%0.73676%0.759SS**  trans58.6151.8137.257.90000122.9
552D27.3Very low33.8Very low148 Ų148124.3 Ų124.379%0.79176%0.76SS**  cis-161.4170.6-3.4-129.1-40.5000117.2
553A28.8Very low33.6Very low85 Ų85123.6 Ų123.670%0.70276%0.761SS**  trans68.8155.4143.700000124.5
554L33Very low34.1Very low166 Ų166123.5 Ų123.587%0.86976%0.762SS**  trans-113.8160.6-179.1-68.376.7000112.3
555S27.8Very low33Very low124 Ų124122.9 Ų122.987%0.86776%0.761SS**  trans-167.4139.7132.5-82.90000114.4
556T29.3Very low32.8Very low134 Ų134124.7 Ų124.782%0.82276%0.763SS**  trans-103.3176.8163.749.80000108.3
557P44.9Very low33.6Very low101 Ų101125 Ų12566%0.65676%0.763SS**  cis-155.4-175.527.447.2-26000119.6
558L30.8Very low33.4Very low157 Ų157123 Ų12382%0.82276%0.758SS**  trans63.1154150.6-72.5162.6000119.6
559S26.4Very low32.5Very low91 Ų91125.4 Ų125.464%0.63676%0.76SS**  cis-166.7160.7-22.7-149.50000114
560V29.3Very low32.2Very low117 Ų117122.1 Ų122.171%0.70975%0.752SS**  trans33.4113.6156.4-71.90000125.3
561T26.5Very low31Very low133 Ų133126 Ų12682%0.81676%0.762SS**  trans52.7168.9132.947.40000122.7
562P42.6Very low30.8Very low116 Ų116124.1 Ų124.175%0.75377%0.765SS**  cis-129-176.70.837-17.2000117
563T26.7Very low30.8Very low128 Ų128125.9 Ų125.979%0.78577%0.769SS**  trans-57.7167.2161.227.30000114
564P41.6Very low30.8Very low110 Ų110127 Ų12771%0.71477%0.772SS**  cis-148.6172.236.243.3-22.7000120.9
565S26.6Very low30.5Very low105 Ų105128.1 Ų128.173%0.73477%0.772SS**  trans55.2122.6145.9580000123.6
566D26.6Very low30.7Very low151 Ų151126.5 Ų126.581%0.80777%0.766SS**  trans6.3151.7130.5-92.2-54000120.3
567P43.4Very low31Very low116 Ų116126.1 Ų126.175%0.75377%0.766SS**  cis-148.7163.540.843.1-23.6000120.6
568A25.5Very low30.2Very low79 Ų79129 Ų12965%0.65378%0.776SS**  trans67.5125.8133.900000124.4
569M28.3Very low29.9Very low175 Ų175129.6 Ų129.686%0.86278%0.779SS**  86120.6127.8-80.4-169.9125.600123.9
570V27.9Very low30.3Very low102 Ų102131.3 Ų131.362%0.61879%0.785SS**  100.7127.7122.2163.80000121.5
571Q27.1Very low31.1Very low189 Ų189131.9 Ų131.988%0.88379%0.791SS**  trans66.3140.8158-83.2164.3-31.900121.2
572G26.8Very low31.2Very low79 Ų79135.3 Ų135.381%0.81480%0.795SS**  trans162.974.4178.600000112.1
573Q27.3Very low30.8Very low185 Ų185133.6 Ų133.686%0.86479%0.791SS**  trans-85.5169.8174.9-72.8-177.4-87.800112.2
574S27.6Very low30.9Very low109 Ų109135.9 Ų135.976%0.76279%0.793SS**  trans95.4146.2169.481.70000115.6
575Q27Very low30.5Very low189 Ų189138.6 Ų138.688%0.88380%0.796SS**  cis-156161.7-17.4-119.1169.28.800108.7
576A33.4Very low30.6Very low90 Ų90141.2 Ų141.274%0.74480%0.797SS**  trans-94.1154.316600000110.1
577P35.3Very low30.7Very low126 Ų126142.3 Ų142.382%0.81880%0.801SS**  -142.2168.3116.838.2-25.4000116.5
578L27.7Very low30.1Very low163 Ų163140.7 Ų140.785%0.85380%0.797SS**  trans-50.8158.5174.5-59.9142.7000115.8
579L24.1Very low30.1Very low169 Ų169145.2 Ų145.289%0.88581%0.81SS**  -172.4154.8118.5-102.6166.4000113.6
580T34.3Very low30Very low126 Ų126141.7 Ų141.777%0.77380%0.802SS**  trans-143.9153.3168.249.40000109.6
581P45.9Very low30Very low129 Ų129145.4 Ų145.484%0.83881%0.813SS**  trans-148-179.8133.134.1-14.9000116.6
582F30.6Very low30.7Very low206 Ų206142 Ų14290%0.90481%0.807SS**  trans-69.6-176.2-180-82.8-127.8000115.2
583A33.5Very low30.8Very low80 Ų80145.7 Ų145.766%0.66181%0.808SS**  cis170.3156.3-35.200000110.8
584Q27.9Very low31.5Very low176 Ų176143 Ų14382%0.82281%0.806SS**  trans-172.4137.5158.7-103174.1-18.500107.8
585Q32.9Very low31.6Very low167 Ų167143.5 Ų143.578%0.7880%0.804SS**  cis93.2145.147.9-170.1-173.890.200112.6
586Q28.7Very low31.7Very low160 Ų160140.2 Ų140.275%0.74879%0.79SS**  cis-178.2148.9-39-177.6-178.112.800107.9
587L28.9Very low31.5Very low174 Ų174138.5 Ų138.591%0.91177%0.773SS**  trans-168.4164.1146.1-108.2166.8000111.8
588A31.4Very low31.3Very low81 Ų81137.7 Ų137.767%0.66976%0.761SS**  trans-158.4166.7-160.100000117.3
589L25.4Very low31.6Very low175 Ų175135.8 Ų135.892%0.91676%0.758SS**  trans-175.8165.3158.3-101.4168.4000107.2
590S26.3Very low31.6Very low100 Ų100135.1 Ų135.170%0.69975%0.754SS**  cis-147.1-156.1-0.463.50000111.2
591Q28.7Very low31.6Very low180 Ų180134.8 Ų134.884%0.84175%0.754SS**  trans-156.8-177.9-178.3-81.2-152.324.200110.2
592P40.5Very low30.5Very low117 Ų117134.3 Ų134.376%0.7675%0.749SS**  cis-137.6-166.57.735.2-10.8000117.7
593L29.7Very low30.5Very low158 Ų158133.4 Ų133.483%0.82775%0.75SS**  trans-122.8173-178-74.1160000113.3
594P41.3Very low30.1Very low127 Ų127132.8 Ų132.883%0.82575%0.751SS**  -149.3-160.8120.138.3-18.6000117.4
595V29.4Very low30.1Very low121 Ų121131 Ų13173%0.73375%0.753SS**  trans-161.2159.2-133.4153.80000115.8
596M29Very low29.7Very low120 Ų120127.8 Ų127.859%0.59175%0.749SS**  trans122132.2136.2-116.2177.686.400126.6
597S29.7Very low29.5Very low53 Ų53127.8 Ų127.837%0.37175%0.752SS.*  trans87.2155.8133.669.60000125.9Q729 G730S597-Q729 WeakPolarHBondContact O-CA 3.41Å; S597-Q729 WeakPolarHBondContact O-CB 3.23Å; S597-G730 VanDerWaalsContact O-CA 3.29Å; S597-G730 WeakPolarHBondContact O-CA 3.44Å
598I31.6Very low29.4Very low110 Ų110125.8 Ų125.856%0.56475%0.747SS**  trans-116.7161.7-165.8-139169.9000114.6T731I598-T731 WeakPolarHBondContact CB-O 3.39Å; I598-T731 VanDerWaalsContact CG2-O 3.23Å; I598-T731 WeakPolarHBondContact CG2-O 3.46Å; I598-T731 PolarHBondContact N-O 2.93Å
599P34.3Very low29.2Very low122 Ų122128.4 Ų128.479%0.79276%0.755SS**  trans-150.2159.9130.136.8-19.8000117.4
600L24.3Very low29.2Very low156 Ų156124 Ų12482%0.81775%0.752SS**  trans-121.5137.7164.2179.381.1000109
601P32.9Very low29.2Very low119 Ų119124.1 Ų124.177%0.77375%0.753SS**  trans-93.9129.9177.434-30.9000113.5
602T24.5Very low29.1Very low118 Ų118121.9 Ų121.972%0.72475%0.752SS**  trans-111.8132.1161.3-66.90000108.9
603M29Very low28.3Very low188 Ų188122.2 Ų122.293%0.92676%0.756SS**  trans-138.9146.8162.7-82.6-72.710500108.3
604G25.9Very low28.2Very low67 Ų67119.7 Ų119.769%0.69175%0.752SS**  trans-167.4159.7177.600000112.4
605T27.2Very low27.3Very low138 Ų138122.6 Ų122.685%0.84776%0.755SS**  trans-158.71481789.20000112.4
606S24.3Very low27.1Very low100 Ų100122.3 Ų122.370%0.69975%0.753SS**  trans64.396.7146.5-54.40000121
607I25.8Very low26.8Very low160 Ų160125 Ų12582%0.82177%0.766SS**  -8.4134.4128.338.5167.7000117.6
608T27Very low26.5Very low131 Ų131126.8 Ų126.880%0.80478%0.784SS**  -179.9160.1117.1-72.70000111.5
609T25.8Very low26.3Very low136 Ų136129.1 Ų129.183%0.83480%0.798SS**  trans-60.2152.9-177.1540000116.3
610G26.5Very low26.2Very low82 Ų82129.8 Ų129.885%0.84580%0.802SS**  trans17312016000000117.5
611S26.5Very low26.1Very low103 Ų103125.9 Ų125.972%0.7280%0.8SS**  trans-67.2146.3179.848.20000118.5
612T25.5Very low25.9Very low134 Ų134126.8 Ų126.882%0.82280%0.797SS**  trans68.5150.2138.655.80000123.5
613S24.6Very low26Very low123 Ų123128.7 Ų128.786%0.8680%0.803SS**  trans101.1163.8155.5-1500000118.5
614S27Very low25.7Very low106 Ų106126.9 Ų126.974%0.74179%0.79SS**  trans-133.1137.6-161.7-53.60000113.9
615Q23.4Very low25.7Very low187 Ų187130.5 Ų130.587%0.87479%0.792SS**  trans-172.1137.6155.4-98.2149.238.100106.7
616V23.8Very low25.5Very low116 Ų116130.1 Ų130.170%0.70379%0.785SS**  cis97.8129.242.71680000112.5
617M23.3Very low25.5Very low176 Ų176131 Ų13187%0.86779%0.786SS**  trans71150175.6-81.1-176.8-72.700117.5
618A24.3Very low25.5Very low90 Ų90129.3 Ų129.374%0.74478%0.783SS**  cis-154.5169-5.600000112.7
619N26.1Very low25.3Very low160 Ų160128.1 Ų128.186%0.85678%0.78SS**  trans-83.8152.7165.6-62.3-57.7000110.6
620P32.1Very low25.3Very low135 Ų135127.4 Ų127.488%0.87778%0.78SS**  -141.8177.88537.7-21.2000113.2
621G23.7Very low25.2Very low74 Ų74129.4 Ų129.476%0.76378%0.776SS**  cis-169.5176.62.100000112.1
622L27.1Very low25.1Very low139 Ų139130.3 Ų130.373%0.72878%0.781SS**  trans-102.1149.5-171.6-66.5165.6000113.6F624L622-F624 HydrophobicContact CB-CD2 4.03Å; L622-F624 HydrophobicContact CB-CE2 3.86Å; L622-F624 HydrophobicContact CD1-CE2 3.93Å; L622-F624 HydrophobicContact CD1-CZ 4.08Å; L622-F624 HydrophobicContact CG-CE2 4.5Å
623N26.7Very low25.1Very low157 Ų157128.5 Ų128.584%0.8477%0.774SS**  trans-166.1115.6140.2-85.2-41.1000107.3
624F23.3Very low25.5Very low150 Ų150128.3 Ų128.366%0.65877%0.769SS**  cis91.9126.144.5-80.1-56.8000114.8L622L622-F624 HydrophobicContact CB-CD2 4.03Å; L622-F624 HydrophobicContact CB-CE2 3.86Å; L622-F624 HydrophobicContact CD1-CE2 3.93Å; L622-F624 HydrophobicContact CD1-CZ 4.08Å; L622-F624 HydrophobicContact CG-CE2 4.5Å
625I26.4Very low25.3Very low143 Ų143132.6 Ų132.673%0.73378%0.778SS**  trans77.2132.2138-78.5167.6000117.1
626N23.2Very low25.6Very low130 Ų130128.9 Ų128.970%0.69577%0.768SS**  cis-172.3162.7-2.5-142.44.9000114.2
627V24Very low25.6Very low118 Ų118131.6 Ų131.672%0.71578%0.778SS**  trans64.2153.7141.3146.40000117.2
628V25Very low25.8Very low125 Ų125130.8 Ų130.876%0.75877%0.774SS**  cis-127.6141.325.2-168.90000112.8
629S22.6Very low25.8Very low106 Ų106131.6 Ų131.674%0.74177%0.774SS**  trans-108.7137.3151.752.60000109.2
630S25.8Very low25.6Very low121 Ų121127.5 Ų127.585%0.84677%0.77SS**  trans-106.7140.4178.8-170.40000110.7
631V25Very low25.4Very low125 Ų125126.6 Ų126.676%0.75877%0.766SS**  trans-143.6117.7-171.9-177.10000110.5
632C24.3Very low25.5Very low121 Ų121130.9 Ų130.982%0.81877%0.772SS**  trans180148.2153.3-106.80000109.1
633S26.1Very low25.7Very low96 Ų96129 Ų12967%0.67177%0.768SS**  cis-171.5142.2-24.944.80000107.7
634P31.5Very low25.6Very low119 Ų119130.4 Ų130.477%0.77377%0.772SS**  trans-77.9159.2177.533.5-35.6000112.2
635Q24.7Very low25.9Very low196 Ų196131.1 Ų131.192%0.91678%0.782SS**  trans-114.7149.9159.5-71.6-167.7-5.400110.2
636T27.7Very low25.9Very low110 Ų110127.5 Ų127.568%0.67578%0.78SS**  trans-140.3139.8-174.8-61.90000109.2
637L24.9Very low26.7Very low173 Ų173127.9 Ų127.991%0.90679%0.789SS**  trans-116.2145.4157.8-86.5170.1000109.9
638M26.6Very low26.7Very low158 Ų158125.7 Ų125.778%0.77879%0.79SS**  trans-77138.3-168.7-72.2-63.9168.700110.9
639S25Very low26.9Very low107 Ų107127.7 Ų127.775%0.74880%0.796SS**  76.213761.3-165.70000113.4
640G23Very low27Very low75 Ų75130.4 Ų130.477%0.77380%0.802SS**  trans-172.239.2-167.900000114.7
641S27.6Very low27Very low115 Ų115131.8 Ų131.880%0.80480%0.799SS**PPolyproline II helixtrans-89.3126.3175.5-560000111.5
642N24.8Very low27.1Very low165 Ų165131.9 Ų131.988%0.88281%0.805SS**PPolyproline II helixtrans-79148.6174.1-94.2-39.1000112.3
643P32.6Very low27Very low99 Ų99129.4 Ų129.464%0.64380%0.801SS**PPolyproline II helixtrans-90.8160.1-159.435.1-37.8000115.5
644M23.7Very low27.1Very low186 Ų186133.4 Ų133.492%0.91681%0.813SS**  trans-112.1129.7157.7-79.4-8797.200108.7
645L29.9Very low26.7Very low166 Ų166135.2 Ų135.287%0.86982%0.815SS**  trans-121.5153171.5-84.5172.3000111.2
646G25.8Very low27.2Very low67 Ų67131.2 Ų131.269%0.69181%0.806SS**  trans-79.8179.6-175.700000115
647P40.9Very low28.2Very low137 Ų137131.7 Ų131.789%0.8981%0.811SS**  trans-89.7158.3-162.635.3-37.1000115.3
648G24.1Very low28.1Very low72 Ų72128.8 Ų128.874%0.74281%0.812SS**  trans-145.9156.1165.200000111
649L28.9Very low28Very low167 Ų167124.3 Ų124.387%0.87481%0.806SS**  trans-130.6120.7-174.9-70.1170.5000111.9
650N23.4Very low27.9Very low163 Ų163126.9 Ų126.987%0.87281%0.811SS**  trans-163.1-178.8136.4-127.7-79000113.8
651L26.4Very low28Very low151 Ų151131.2 Ų131.279%0.79181%0.813SS**  trans-119.2167.2-164.2-74.1161000114.4
652S26.4Very low27.8Very low126 Ų126131 Ų13188%0.88181%0.811SS**  trans92.9144.3156.5-37.90000117.5
653G23.8Very low27.7Very low70 Ų70128.7 Ų128.772%0.72280%0.803SS**  trans149.917.4152.300000125.5
654I27.4Very low27.3Very low180 Ų180131 Ų13192%0.92381%0.807SS**  trans64.7166.4153.6-62.8172.4000118.4
655L22.8Very low27.4Very low156 Ų156129.9 Ų129.982%0.81780%0.8SS**  trans-112.5-177.2-165-80.9166.9000112
656P35.4Very low27.1Very low113 Ų113127.7 Ų127.773%0.73480%0.798SS**  cis-132.7-125.1-31.434.8-9.9000113.7
657P48.7Very low27.1Very low120 Ų120128 Ų12878%0.77980%0.801SS**  trans-137.4162.8-130.542.2-19.5000120.2
658A22.5Very low26.3Very low111 Ų111125.8 Ų125.892%0.91780%0.795SS**  trans-175.5160.7152.600000109.2
659G23.9Very low26.4Very low64 Ų64131 Ų13166%0.6680%0.8SS**  cis165.2163.9-6.200000111.2
660L24.2Very low26.2Very low161 Ų161129.1 Ų129.184%0.84380%0.795SS**  trans68.9157.9172.9-48.6179.2000117.5
661M24.3Very low26.2Very low167 Ų167124.4 Ų124.482%0.82379%0.786SS**  174.9129.4-50.2-104.5176.7-162.300109
662S23.7Very low26.1Very low110 Ų110122.9 Ų122.977%0.76979%0.787SS**  trans-171.7124.3139.2-87.70000111.4
663T22.2Very low26.5Very low117 Ų117122.2 Ų122.272%0.71878%0.78SS**  64.1127.586-9.90000112.8
664M24.3Very low26.6Very low146 Ų146128.7 Ų128.772%0.71979%0.789SS**  cis-137.9152.325.1-43.4-158.76800116.7
665Q26.6Very low26.5Very low163 Ų163123.4 Ų123.476%0.76278%0.779SS**  trans37.7122.8138.9-73.7173.9-20.700120.8
666S24Very low26.6Very low120 Ų120123.6 Ų123.684%0.83978%0.78SS**  91138.666.7-163.20000111.2
667G24.1Very low26.2Very low73 Ų73125.6 Ų125.675%0.75378%0.784SS**  cis-124.2167.420.100000117.8
668A25Very low25.1Very low91 Ų91127.9 Ų127.975%0.75279%0.79SS**  trans-110.7165175.200000110.4
669Q25.4Very low25.3Very low183 Ų183127.6 Ų127.686%0.85578%0.782SS**  -144.6119.1119.2-74.8-145.417.100108.4
670T24.7Very low25.7Very low126 Ų126129.8 Ų129.877%0.77379%0.793SS**  75.5119.488.9-400000112.9
671G23.6Very low26.1Very low65 Ų65125.6 Ų125.667%0.6779%0.789SS**  cis156.6177.5-9.900000114.6
672S24.3Very low26.4Very low118 Ų118124.8 Ų124.883%0.82579%0.788SS**  trans72141.3167.2-138.70000118.3
673P35.8Very low26.8Very low112 Ų112130.5 Ų130.573%0.72779%0.792SS**  trans-97.8157.4-177.338.3-34.4000113.5
674F24.6Very low27.3Very low206 Ų206131.1 Ų131.190%0.90480%0.798SS**  trans-126.6119.1159.3-88.3-88.6000110
675G25.7Very low27.6Very low70 Ų70132 Ų13272%0.72281%0.805SS**  trans-82.9146167.400000110.6
676L26.6Very low27.9Very low160 Ų160131.5 Ų131.584%0.83881%0.807SS**  trans-129.2110.4171.6-74.5176.4000111
677N25.8Very low28.4Very low154 Ų154133 Ų13382%0.82481%0.805SS**  trans9.6120.5150.7-56.2-18.5000117.8
678N26.5Very low28.8Very low168 Ų168136.5 Ų136.590%0.89881%0.806SS**PPolyproline II helixtrans-78123.6173.8-170.421.5000111.1
679S25.8Very low29.2Very low106 Ų106140.7 Ų140.774%0.74181%0.81SS**PPolyproline II helixtrans-102.2134.8170.351.20000110.8
680A32.1Very low29.5Very low109 Ų109138.3 Ų138.390%0.90180%0.802SS**SBendtrans-70141.1-174.300000112.3
681G33.4Very low29.8Very low74 Ų74137.6 Ų137.676%0.76380%0.799SS**  trans168.2-8.5172.900000119.8
682L30.6Very low30.2Very low150 Ų150141.1 Ų141.179%0.78581%0.81SS**  trans-123.6140.5-174.8-67.7175.6000113.8
683R32.7Very low30.5Very low229 Ų229138.2 Ų138.286%0.86480%0.799SS**  trans-77.5146.9173.4-60.6-171.3-170.7-168.54.8110.7L685R683-L685 PolarHBondContact O-N 3.45Å
684P30.8Very low30.4Very low130 Ų130138.2 Ų138.284%0.84480%0.799SS**  trans-69.8103.8173.328.9-34000110.9
685L31.9Very low30.5Very low166 Ų166139.4 Ų139.487%0.86980%0.799SS**  trans-81.1145161.1-74.9171.9000109.4R683 L687R683-L685 PolarHBondContact O-N 3.45Å; L685-L687 PolarHBondContact O-N 2.68Å
686N33.4Very low30.6Very low151 Ų151143.1 Ų143.181%0.80780%0.801SS**  trans-66.5133.5179.2-90.6-102.1000110.8
687L32.9Very low30.5Very low152 Ų152143.1 Ų143.180%0.79680%0.801SS**  trans14.5114159.2-77.1149.3000117.2L685 Q689L685-L687 PolarHBondContact O-N 2.68Å; L687-Q689 VanDerWaalsContact C-N 3.27Å; L687-Q689 PolarHBondContact O-N 2.66Å
688L32.7Very low30.4Very low146 Ų146142.4 Ų142.476%0.76480%0.797SS**  trans-57.592.4149.9-85.2159.6000108.9I690L688-I690 HydrophobicContact CB-CG1 4.49Å; L688-I690 PolarHBondContact O-N 2.92Å
689Q33.1Very low30.3Very low180 Ų180138.9 Ų138.984%0.84179%0.785SS**  trans-78.773176.9-169167.41000110.3L687 P691L687-Q689 VanDerWaalsContact C-N 3.27Å; L687-Q689 PolarHBondContact O-N 2.66Å; Q689-P691 WeakPolarHBondContact O-CD 3.35Å
690I32.9Very low30.3Very low133 Ų133141.7 Ų141.768%0.68279%0.791SS**  trans-69123.1168-56.9174.2000107.5L688 P692L688-I690 HydrophobicContact CB-CG1 4.49Å; L688-I690 PolarHBondContact O-N 2.92Å; I690-P692 WeakPolarHBondContact O-CD 3.5Å
691P29.7Very low30Very low110 Ų110144.9 Ų144.971%0.71479%0.788SS**  trans-68.6126.5174.4-18.132.1000110.6Q689 G693Q689-P691 WeakPolarHBondContact O-CD 3.35Å; P691-G693 PolarHBondContact O-N 2.66Å; P691-G693 VanDerWaalsContact O-N 3.15Å
692P32.8Very low29.9Very low139 Ų139149.8 Ų149.890%0.90379%0.79SS**  trans-76.999.6170.430.5-31.6000109.5I690I690-P692 WeakPolarHBondContact O-CD 3.5Å
693G31.6Very low29.6Very low57 Ų57152 Ų15259%0.58880%0.797SS**  trans-144.8147.8174.700000110.7P691P691-G693 PolarHBondContact O-N 2.66Å; P691-G693 VanDerWaalsContact O-N 3.15Å
694P32.5Very low29.3Very low112 Ų112149.7 Ų149.773%0.72780%0.796SS**  trans-74.7145.9-170.229.8-35.4000113.1I696P694-I696 PolarHBondContact O-N 2.73Å; P694-I696 VanDerWaalsContact O-N 3.1Å
695Y28.1Very low29Very low232 Ų232152 Ų15291%0.9180%0.8SS**  trans-69.2100.1168.5-66.8-87.9000110.3L697Y695-L697 PolarHBondContact O-N 2.97Å
696I27Very low28.6Very low148 Ų148148.7 Ų148.776%0.75979%0.791SS**  trans-89.893.6169.1-58.9-178000108.8P694 N698P694-I696 PolarHBondContact O-N 2.73Å; P694-I696 VanDerWaalsContact O-N 3.1Å; I696-N698 PolarHBondContact O-N 2.93Å; I696-N698 VanDerWaalsContact O-N 3.16Å
697L23.8Very low28.1Very low159 Ų159149.2 Ų149.283%0.83279%0.789SS**  trans-69.497.2159.5-86156.9000108.3Y695 S699Y695-L697 PolarHBondContact O-N 2.97Å; L697-S699 VanDerWaalsContact C-N 3.29Å; L697-S699 PolarHBondContact O-N 2.88Å
698N23.9Very low27.6Very low140 Ų140151.1 Ų151.175%0.74979%0.791SS**  trans-80.880.8169.9-168.5-2.8000109.9I696 L700I696-N698 PolarHBondContact O-N 2.93Å; I696-N698 VanDerWaalsContact O-N 3.16Å; N698-L700 PolarHBondContact O-N 3Å
699S24.2Very low27.1Very low93 Ų93148.9 Ų148.965%0.6579%0.788SS**  trans-74.3101.7170.453.70000109.9L697 Q701L697-S699 VanDerWaalsContact C-N 3.29Å; L697-S699 PolarHBondContact O-N 2.88Å; S699-Q701 PolarHBondContact O-N 3.13Å
700L25.4Very low27.2Very low166 Ų166145.4 Ų145.487%0.86978%0.78SS**  trans-65.696.1175.6-167.789.1000110.4N698N698-L700 PolarHBondContact O-N 3Å
701Q27.4Very low26.8Very low176 Ų176146.7 Ų146.782%0.82278%0.784SS**  trans-107.6122.1175.8-168.4164.410.500110.7S699S699-Q701 PolarHBondContact O-N 3.13Å
702Q29.8Very low26.7Very low176 Ų176148.6 Ų148.682%0.82278%0.783SS**  trans-71.1141.6174.9-66.3176.6-13.400111.2
703Q25.4Very low26.3Very low197 Ų197146.3 Ų146.392%0.92177%0.77SS**  trans-148.9136.9144-120.3171.73.200110.5
704Q25.4Very low26Very low181 Ų181152.5 Ų152.585%0.84678%0.784SS**  trans-92.3149.4175.5-61.2172.2-48.900109.9
705L25.1Very low25.6Very low177 Ų177153.3 Ų153.393%0.92779%0.792SS**  trans-171.1172135.7-102.4159.8000110.5
706S22.8Very low25.4Very low98 Ų98146.3 Ų146.369%0.68578%0.783SS**  trans-134.5160.6-147-51.40000115.7
707Q24.2Very low25.3Very low162 Ų162145.9 Ų145.976%0.75779%0.787SS**  trans69.1144.8170.8-52.7179.9-10.200114.2
708F22.8Very low25.2Very low191 Ų191143.7 Ų143.784%0.83879%0.785SS**  cis-143.3174.534.8-101.1-94.1000114
709S21.5Very low25.1Very low100 Ų100142.4 Ų142.470%0.69979%0.787SS**  trans-119.2162.9165.8-154.10000108.6
710P35.7Very low26.1Very low106 Ų106143 Ų14369%0.68879%0.789SS**  -157.1162.777.841.9-22.2000118.9
711Q24.7Very low26Very low160 Ų160142.9 Ų142.975%0.74878%0.783SS**  trans64.2162.5141.5-78.3-179-17.800120.4
712Q26.2Very low25.9Very low151 Ų151141.4 Ų141.471%0.70678%0.777SS**  cis-154.5167.310.3-137.2174.246.100113.9
713S24.5Very low25.7Very low90 Ų90141.6 Ų141.663%0.62978%0.777SS**  trans29.8130152.1-60.60000122.8
714Q26.3Very low25.6Very low187 Ų187135.1 Ų135.187%0.87476%0.764SS**  cis85.5123.149.8-76-170.820.100117.2
715S24.3Very low25.6Very low129 Ų129135.6 Ų135.690%0.90277%0.766SS**  trans-176.4164141.951.70000111.5
716A23.1Very low25.6Very low86 Ų86135.2 Ų135.271%0.71176%0.762SS**  trans-156.8-174.7-174.300000113.8
717T24.4Very low25.6Very low138 Ų138136.2 Ų136.285%0.84777%0.769SS**  trans74.6154.7171.671.80000117
718S22.8Very low25.7Very low113 Ų113134.3 Ų134.379%0.7976%0.764SS**  cis-163.1169-11.937.20000112.9
719S21.7Very low25.9Very low113 Ų113130.1 Ų130.179%0.7975%0.747SS**  trans-81.3-162.8173.5-32.80000112.7
720P43.9Very low26.1Very low106 Ų106126.8 Ų126.869%0.68873%0.728SS**  cis-146.4-159.111.639.8-14.6000117.7
721Q23.9Very low25.7Very low163 Ų163125.1 Ų125.176%0.76272%0.716SS**  trans78.6153.4156.3-75.8-177.2-81.700121.2
722Q26.6Very low25.8Very low145 Ų145123.3 Ų123.368%0.67871%0.712SS**  cis-170.3168.6-30.6-140.9170.2-3.700112.3
723Q24.5Very low25.8Very low180 Ų180123.7 Ų123.784%0.84171%0.713SS**  trans66.7152.9165.1-65.1172-88.800118.8
724G24.3Very low25.7Very low62 Ų62124.2 Ų124.264%0.63972%0.717SS**  cis176.6157.5-8.500000114.4
725E23.8Very low25.7Very low190 Ų190123.4 Ų123.489%0.88872%0.718SS**  trans58.1137.3160.4-60.3172.611300120.2
726M25.1Very low25.6Very low169 Ų169120.3 Ų120.383%0.83371%0.706SS**  cis117.8124.5-2.9-169.9171.6-172.600115.2
727S24.5Very low25.8Very low119 Ų119124.4 Ų124.483%0.83272%0.716SS**  trans150.2149.6149-730000113.2
728D26Very low25.8Very low123 Ų123126.4 Ų126.466%0.65872%0.716SS**  cis-160.5158.5-35.4-162.120.2000112.6
729Q26.8Very low25.9Very low103 Ų103129.1 Ų129.148%0.48172%0.716SS.*  trans130-174.8160.2-74.6175.5100.200114.3S597S597-Q729 WeakPolarHBondContact O-CA 3.41Å; S597-Q729 WeakPolarHBondContact O-CB 3.23Å
730G26.3Very low25.9Very low30 Ų30130 Ų13031%0.30972%0.717SS.*  cis-178.6174.6-0.400000115.1S597S597-G730 VanDerWaalsContact O-CA 3.29Å; S597-G730 WeakPolarHBondContact O-CA 3.44Å
731T27.1Very low24.9Very low70 Ų70129.2 Ų129.243%0.42972%0.719SS.*  trans-145.3175.6-176.361.80000111.3I598I598-T731 WeakPolarHBondContact CB-O 3.39Å; I598-T731 VanDerWaalsContact CG2-O 3.23Å; I598-T731 WeakPolarHBondContact CG2-O 3.46Å; I598-T731 PolarHBondContact N-O 2.93Å
732D25.9Very low24.8Very low123 Ų123127.2 Ų127.266%0.65872%0.717SS**  cis-165.8168.720.1-142.8-9.2000119.2
733Q26.4Very low24.7Very low159 Ų159126.5 Ų126.574%0.74372%0.717SS**  trans72.2106.9146.2-86.4168.874.500126.6
734S22.5Very low24.7Very low101 Ų101124.3 Ų124.371%0.70671%0.711SS**  66.1113.6116.8-162.10000123.9
735L25.9Very low24.9Very low170 Ų170128.6 Ų128.689%0.8972%0.719SS**  177.7136.3112.4-102.4167.6000114.8
736G23.2Very low24.8Very low63 Ų63123 Ų12365%0.64971%0.712SS**  trans91.5138.513300000122.3
737N26.6Very low24.9Very low173 Ų173122.2 Ų122.293%0.92572%0.716SS**  trans80.5164151.3-66.9-17000121.6
738Q25Very low24.8Very low180 Ų180120.3 Ų120.384%0.84172%0.715SS**  trans-118.2176.2-163.5-60.5176.974.300111.5
739Q24.1Very low24.7Very low170 Ų170118.7 Ų118.779%0.79471%0.714SS**  trans92.5110161.6-55.6-174-3.400118.2
740T22.2Very low24.6Very low132 Ų132122.3 Ų122.381%0.8173%0.728SS**  52.5138.4110.2-40.50000120.4
741A23.1Very low24.6Very low88 Ų88128.7 Ų128.773%0.72775%0.752SS**  trans81.7152.1157.600000116.8
742V21.9Very low24.8Very low121 Ų121129.8 Ų129.873%0.73376%0.763SS**  cis-167.2153-9.194.40000114.5
743I24.6Very low25Very low131 Ų131129.8 Ų129.867%0.67277%0.769SS**  trans44.6140.4154.6-32.2159.5000122.1
744N24.6Very low24.8Very low133 Ų133130.8 Ų130.871%0.71177%0.774SS**  trans130.2149.5134-75.4-55.4000115.1
745L27Very low24.8Very low153 Ų153131.5 Ų131.580%0.80177%0.774SS**  cis-166158.2-35.2-130.3-175.2000106.9
746G23.1Very low24.7Very low73 Ų73128.1 Ų128.175%0.75377%0.771SS**  trans176.2104.1172.900000115.4
747V25.5Very low24.7Very low151 Ų151130.5 Ų130.592%0.91577%0.772SS**  trans-128.5132.6172175.60000108.4
748G24.1Very low24.5Very low79 Ų79129.9 Ų129.981%0.81477%0.768SS**  trans-160.5139177.500000111.4
749S22.2Very low24.5Very low90 Ų90125.7 Ų125.763%0.62976%0.759SS**  trans-132.4146.7-178.8170.30000108.6
750F25.5Very low24.7Very low179 Ų179125.5 Ų125.579%0.78576%0.758SS**  156.1152119.7-92.7-66.2000116.7
751M26.1Very low24.8Very low163 Ų163127.2 Ų127.280%0.80376%0.761SS**  trans83.1163.1149.5-77.7-60107.100121.3
752S30.6Very low24.9Very low94 Ų94126.6 Ų126.666%0.65776%0.764SS**  trans-113.5-170.8-158.560.10000112.6
753P31.2Very low25Very low122 Ų122127.6 Ų127.679%0.79278%0.775SS**  -136.5160.6125.337.9-29.2000114.6
754Q21.2Very low25.1Very low181 Ų181125.2 Ų125.285%0.84678%0.782SS**  trans-140.9134.7163.6-104.3-166.26.900112
755T24.1Very low25.2Very low116 Ų116126.4 Ų126.471%0.71279%0.788SS**  trans72.5105.3145.4-47.20000121.2V757T755-V757 HydrophobicContact CG2-CG2 3.7Å
756A23.6Very low25.2Very low98 Ų98126.6 Ų126.681%0.8179%0.789SS**  trans-149.4141.7141.600000108.6
757V23Very low25.4Very low113 Ų113127 Ų12769%0.68579%0.793SS**  cis97.2128.94.9-173.50000116T755T755-V757 HydrophobicContact CG2-CG2 3.7Å
758L23.1Very low25.6Very low160 Ų160126 Ų12684%0.83879%0.793SS**  trans69.2143.1-178.9-66.2167.4000117.1
759S25Very low25.7Very low93 Ų93125.4 Ų125.465%0.6579%0.787SS**  cis-169157.4-26.9-1310000114.6
760Q26.4Very low26.1Very low166 Ų166127.1 Ų127.178%0.77680%0.796SS**  trans71.4134.4146.2-77.6-173.92.100125.3
761L26Very low26.5Very low167 Ų167124.8 Ų124.887%0.87480%0.799SS**  trans68.9137.8144.4-92.673.7000122.4
762G23.4Very low26.6Very low76 Ų76124.8 Ų124.878%0.78480%0.801SS**  trans153.1110.5168.300000112.5
763C25.3Very low26.5Very low142 Ų142126 Ų12696%0.95981%0.807SS**  trans-106.2145.3172.7-58.70000109.9
764G25.3Very low26.3Very low80 Ų80125.5 Ų125.583%0.82581%0.806SS**  trans-179.1142.2176.300000113.3
765L27.5Very low26.7Very low159 Ų159123 Ų12383%0.83281%0.806SS**  trans-93.2163.3-176-73.8157.8000112.6
766D27Very low26.7Very low157 Ų157129.3 Ų129.384%0.8482%0.816SS**  trans57.4137.9152.9-56-33.2000121.1
767G26.8Very low26.9Very low80 Ų80133 Ų13383%0.82582%0.822SS**  trans153.7106.1170.300000113.9
768S29.5Very low27.2Very low131 Ų131137.1 Ų137.192%0.91683%0.833SS**  trans-74.9133.5174.955.30000112.3
769G26.6Very low27.5Very low67 Ų67138 Ų13869%0.69183%0.834SS**  trans-146.8141.2173.900000113.5
770P32Very low28Very low126 Ų126141.4 Ų141.482%0.81884%0.839SS**PPolyproline II helixtrans-77.5157.9175.232.8-34.9000112.3
771P32.2Very low28.3Very low129 Ų129141.2 Ų141.284%0.83884%0.838SS**PPolyproline II helixtrans-82.2137.9-166.531.3-35.8000115
772L28.9Very low28.7Very low163 Ų163140.8 Ų140.885%0.85383%0.831SS**PPolyproline II helixtrans-82.6157.1159.5-80.6165.3000110.9
773P29.6Very low29.8Very low121 Ų121141.2 Ų141.279%0.78682%0.82SS**PPolyproline II helixtrans-79.2143-17031-35.9000114.5
774S26.1Very low30.5Very low110 Ų110141.7 Ų141.777%0.76981%0.808SS**PPolyproline II helixtrans-78.4143.9178.5-41.40000113.3
775P28.7Very low31.7Very low130 Ų130142.8 Ų142.884%0.84479%0.794SS**PPolyproline II helixtrans-71.8132.9173.729.7-34.1000111.7
776R25.7Very low32.7Very low247 Ų247139.4 Ų139.493%0.93277%0.774SS**PPolyproline II helixtrans-81.3124.1172.8-97.3-176.1170.8174.1-2.4111.1
777L26.1Very low34Very low177 Ų177134.4 Ų134.493%0.92775%0.747SS**PPolyproline II helixtrans-64.8136.2161.2-82.5164.8000110.2
778Q29.6Very low35.3Very low198 Ų198136.2 Ų136.293%0.92573%0.734SS**PPolyproline II helixtrans-97.5116.8-178.4-164.117942.800109.5
779Q30.2Very low36.7Very low180 Ų180135.3 Ų135.384%0.84171%0.714SS**  trans-151.1156.4173.4-153.7172.399.500111.6
780Q35.3Very low38.3Very low163 Ų163133.1 Ų133.176%0.76269%0.686SS**  trans6084.1-178.4-63.7-162.2-96.100116.9
781H33.6Very low39.5Very low163 Ų163131.5 Ų131.576%0.75567%0.668SS**  trans-133.73.5147.9-88.374.9000112.6
782Q32.9Very low40.7Very low157 Ų157129.8 Ų129.873%0.73465%0.648SS**Hα-helixtrans-73.1-38.1-162.3-157.1168.315.400117.7Q784 I785 Q786Q782-Q784 PolarHBondContact O-N 3Å; Q782-I785 PolarHBondContact O-N 2.92Å; Q782-Q786 PolarHBondContact O-N 3.18Å
783P46.1Very low42.3Very low85 Ų85124.4 Ų124.455%0.55262%0.619SS**Hα-helixtrans-70-33.1-171.326.8-33.8000113.3I785 Q786 L787P783-I785 VanDerWaalsContact C-N 3.33Å; P783-I785 PolarHBondContact O-N 3.46Å; P783-Q786 PolarHBondContact O-N 2.68Å; P783-L787 PolarHBondContact O-N 3.24Å
784Q40.7Very low43.7Very low152 Ų152121.2 Ų121.271%0.7159%0.594SS**Hα-helixtrans-70.2-32.2-178.9-164.2164.52.800112Q782 Q788Q782-Q784 PolarHBondContact O-N 3Å; Q784-Q788 WeakPolarHBondContact O-CB 3.43Å; Q784-Q788 PolarHBondContact O-N 2.91Å
785I50Low45.1Very low104 Ų104121.1 Ų121.153%0.53358%0.581SS.*Hα-helixtrans-65.2-39174.9-61.4170.2000110.9Q782 P783 Q788 F789Q782-I785 PolarHBondContact O-N 2.92Å; P783-I785 VanDerWaalsContact C-N 3.33Å; P783-I785 PolarHBondContact O-N 3.46Å; I785-Q788 PolarHBondContact O-N 3Å; I785-F789 WeakPolarHBondContact O-CB 3.38Å; I785-F789 PolarHBondContact O-N 2.8Å
786Q48.5Very low46.4Very low88 Ų88120 Ų12041%0.41157%0.565SS.*Hα-helixtrans-63.8-45-179.6-160.772.717.500111.8Q782 P783 F789 L790Q782-Q786 PolarHBondContact O-N 3.18Å; P783-Q786 PolarHBondContact O-N 2.68Å; Q786-F789 PolarHBondContact O-N 2.87Å; Q786-L790 PolarHBondContact O-N 2.85Å; Q786-L790 VanDerWaalsContact O-N 3.11Å
787L55.4Low47.6Very low51 Ų51113 Ų11327%0.26754%0.543SS..Hα-helixtrans-70-36.1176.6-73.1165.3000112.4I126 P783 F789 L790 Q791I126-L787 HydrophobicContact CD1-CB 4.03Å; I126-L787 HydrophobicContact CD1-CD1 3.91Å; I126-L787 HydrophobicContact CD1-CD2 4.12Å; I126-L787 HydrophobicContact CD1-CG 4.24Å; P783-L787 PolarHBondContact O-N 3.24Å; L787-F789 VanDerWaalsContact C-N 3.34Å; L787-L790 WeakPolarHBondContact O-CB 3.19Å; L787-L790 PolarHBondContact O-N 3.16Å; L787-Q791 PolarHBondContact O-N 3.37Å
788Q54.6Low48.8Very low119 Ų119110.1 Ų110.156%0.55653%0.525SS*.Hα-helixtrans-69.9-31.4175.1-163.11643200112.2Q784 I785 Q791 H792Q784-Q788 WeakPolarHBondContact O-CB 3.43Å; Q784-Q788 PolarHBondContact O-N 2.91Å; I785-Q788 PolarHBondContact O-N 3Å; Q788-Q791 PolarHBondContact O-N 3.03Å; Q788-H792 WeakPolarHBondContact O-CB 3.27Å; Q788-H792 PolarHBondContact O-N 3.33Å
789F57.5Low49.5Very low112 Ų112106.8 Ų106.849%0.49151%0.511SS..Hα-helixtrans-65.7-41.2169.4-179.5-95.9000112I105 I785 Q786 L787 H792 Q793I105-F789 HydrophobicContact CD1-CD1 4.43Å; I105-F789 HydrophobicContact CD1-CE1 4.31Å; I785-F789 WeakPolarHBondContact O-CB 3.38Å; I785-F789 PolarHBondContact O-N 2.8Å; Q786-F789 PolarHBondContact O-N 2.87Å; L787-F789 VanDerWaalsContact C-N 3.34Å; F789-H792 PolarHBondContact O-N 3.4Å; F789-Q793 VanDerWaalsContact O-CB 3.31Å; F789-Q793 WeakPolarHBondContact O-CB 3.42Å; F789-Q793 PolarHBondContact O-N 3.1Å
790L60.3Low50Low20 Ų20102 Ų10211%0.10550%0.501CS..Hα-helixtrans-62-43.5174.5-177.166.8000111.8T104 I105 L107 Q786 L787 Q793 M794T104-L790 HydrophobicContact CG2-CD1 4.42Å; I105-L790 HydrophobicContact CD1-CD1 4.15Å; I105-L790 HydrophobicContact CG1-CD1 3.69Å; L107-L790 HydrophobicContact CD1-CD2 4.02Å; L107-L790 HydrophobicContact CD2-CD2 4.46Å; Q786-L790 PolarHBondContact O-N 2.85Å; Q786-L790 VanDerWaalsContact O-N 3.11Å; L787-L790 WeakPolarHBondContact O-CB 3.19Å; L787-L790 PolarHBondContact O-N 3.16Å; L790-Q793 PolarHBondContact O-N 3.18Å; L790-M794 WeakPolarHBondContact O-CB 3.5Å; L790-M794 WeakPolarHBondContact O-CG 3.22Å; L790-M794 PolarHBondContact O-N 2.63Å
791Q57.1Low50.2Low92 Ų92101.6 Ų101.643%0.4350%0.501SS..Hα-helixtrans-57.4-48.9172.2177.4-174.789.700111.4L787 Q788 M794 Q795L787-Q791 PolarHBondContact O-N 3.37Å; Q788-Q791 PolarHBondContact O-N 3.03Å; Q791-M794 PolarHBondContact O-N 3.4Å; Q791-Q795 PolarHBondContact O-N 2.91Å; Q791-Q795 VanDerWaalsContact O-N 3.1Å
792H58Low50.4Low93 Ų9397.2 Ų97.243%0.43150%0.501SS..Hα-helixtrans-67.8-36.8-178.2-16472.4000112.7Q788 F789 Q795 Q796Q788-H792 WeakPolarHBondContact O-CB 3.27Å; Q788-H792 PolarHBondContact O-N 3.33Å; F789-H792 PolarHBondContact O-N 3.4Å; H792-Q795 PolarHBondContact O-N 3.2Å; H792-Q796 PolarHBondContact CD2-NE2 3.44Å; H792-Q796 PolarHBondContact NE2-NE2 2.99Å; H792-Q796 WeakPolarHBondContact O-CG 3Å; H792-Q796 PolarHBondContact O-N 3.11Å
793Q63.1Low50.6Low51 Ų5194.1 Ų94.124%0.23850%0.502CS..Hα-helixtrans-64.2-46.3174.9-178.8-174.987.800111.8F789 L790 Q795 Q796 Q797F789-Q793 VanDerWaalsContact O-CB 3.31Å; F789-Q793 WeakPolarHBondContact O-CB 3.42Å; F789-Q793 PolarHBondContact O-N 3.1Å; L790-Q793 PolarHBondContact O-N 3.18Å; Q793-Q795 PolarHBondContact O-N 3.18Å; Q793-Q796 PolarHBondContact O-N 3.49Å; Q793-Q797 WeakPolarHBondContact O-CB 3.49Å; Q793-Q797 PolarHBondContact O-N 2.93Å
794M59.1Low49.7Very low53 Ų5394.1 Ų94.126%0.26151%0.509SS..Hα-helixtrans-57.1-37.6173.9-76.5-74-72.500111.6T104 L790 Q791 Q798T104-M794 HydrophobicContact CG2-SD 4.08Å; L790-M794 WeakPolarHBondContact O-CB 3.5Å; L790-M794 WeakPolarHBondContact O-CG 3.22Å; L790-M794 PolarHBondContact O-N 2.63Å; Q791-M794 PolarHBondContact O-N 3.4Å; M794-Q798 PolarHBondContact O-N 3.42Å
795Q55.4Low49.3Very low108 Ų10893.5 Ų93.551%0.50552%0.515SS..Hα-helixtrans-75.8-41.8179.5-162.8171.630.400113.2Q791 H792 Q793 Q797 Q798 M799Q791-Q795 PolarHBondContact O-N 2.91Å; Q791-Q795 VanDerWaalsContact O-N 3.1Å; H792-Q795 PolarHBondContact O-N 3.2Å; Q793-Q795 PolarHBondContact O-N 3.18Å; Q795-Q797 VanDerWaalsContact C-N 3.33Å; Q795-Q797 PolarHBondContact O-N 3.41Å; Q795-Q798 PolarHBondContact O-N 3.05Å; Q795-M799 PolarHBondContact O-N 3.06Å
796Q54.3Low48.5Very low107 Ų10794.1 Ų94.150%0.553%0.526SS..Hα-helixtrans-61.5-40.4174.5-75.4-167.611.600112H792 Q793 Q798 M799 A800H792-Q796 PolarHBondContact CD2-NE2 3.44Å; H792-Q796 PolarHBondContact NE2-NE2 2.99Å; H792-Q796 WeakPolarHBondContact O-CG 3Å; H792-Q796 PolarHBondContact O-N 3.11Å; Q793-Q796 PolarHBondContact O-N 3.49Å; Q796-Q798 VanDerWaalsContact C-N 3.26Å; Q796-Q798 PolarHBondContact O-N 3.21Å; Q796-M799 HydrophobicContact CG-CE 4.49Å; Q796-M799 PolarHBondContact O-N 2.83Å; Q796-M799 VanDerWaalsContact O-N 3.15Å; Q796-A800 PolarHBondContact O-N 2.71Å
797Q52.7Low47.7Very low99 Ų9998.4 Ų98.446%0.46355%0.546SS..Hα-helixtrans-67-26.5-179.4-164.5173.3103.100112.8Q793 Q795Q793-Q797 WeakPolarHBondContact O-CB 3.49Å; Q793-Q797 PolarHBondContact O-N 2.93Å; Q795-Q797 VanDerWaalsContact C-N 3.33Å; Q795-Q797 PolarHBondContact O-N 3.41Å
798Q51.3Low46.3Very low118 Ų118103.3 Ų103.355%0.55158%0.578SS**Hα-helixtrans-69.8-44.1170-69.1-178.422.300112M794 Q795 Q796 A800 M801M794-Q798 PolarHBondContact O-N 3.42Å; Q795-Q798 PolarHBondContact O-N 3.05Å; Q796-Q798 VanDerWaalsContact C-N 3.26Å; Q796-Q798 PolarHBondContact O-N 3.21Å; Q798-A800 VanDerWaalsContact C-N 3.34Å; Q798-A800 PolarHBondContact O-N 3.21Å; Q798-M801 PolarHBondContact O-N 2.74Å
799M43.7Very low45Very low128 Ų128100.7 Ų100.763%0.63158%0.583SS**Hα-helixtrans-65.2-36.3179.8-68.7-173.2-72.600112.5Q795 Q796 M801 G802Q795-M799 PolarHBondContact O-N 3.06Å; Q796-M799 HydrophobicContact CG-CE 4.49Å; Q796-M799 PolarHBondContact O-N 2.83Å; Q796-M799 VanDerWaalsContact O-N 3.15Å; M799-M801 PolarHBondContact O-N 2.7Å; M799-G802 PolarHBondContact O-N 3.22Å; M799-G802 VanDerWaalsContact O-N 3.1Å
800A39.9Very low43.8Very low78 Ų78100.4 Ų100.465%0.64560%0.602SS**Hα-helixtrans-61.5-23.6176.400000114.1Q796 Q798Q796-A800 PolarHBondContact O-N 2.71Å; Q798-A800 VanDerWaalsContact C-N 3.34Å; Q798-A800 PolarHBondContact O-N 3.21Å
801M40.4Very low42.3Very low155 Ų155105.5 Ų105.576%0.76464%0.636SS**THydrogen-bonded Turntrans-85.2-7.1178.1-70.9-102.9-76.600113.6Q798 M799Q798-M801 PolarHBondContact O-N 2.74Å; M799-M801 PolarHBondContact O-N 2.7Å
802G36.4Very low40.9Very low72 Ų72112.4 Ų112.474%0.74266%0.658SS**THydrogen-bonded Turntrans-81.1-9.8-179.600000115.5M799M799-G802 PolarHBondContact O-N 3.22Å; M799-G802 VanDerWaalsContact O-N 3.1Å
803A37.1Very low39.4Very low91 Ų91116.1 Ų116.175%0.75268%0.675SS**SBendtrans-132.747.2-162.600000114.7
804A29Very low37.7Very low86 Ų86122.7 Ų122.771%0.71171%0.706SS**  trans-150.5105.9169.500000113.4
805V31.6Very low36.2Very low138 Ų138126.5 Ų126.584%0.83673%0.732SS**  trans-132.9110163.9178.40000110.1
806P32.9Very low34.8Very low118 Ų118125.2 Ų125.277%0.76675%0.748SS**  trans-106138.4152.1-2.123000110.6
807Q31.9Very low33.5Very low178 Ų178125.9 Ų125.983%0.83276%0.764SS**  trans-80.1-172.7158.2-78.8-165.2-5.200110.6
808V26.1Very low32.4Very low153 Ų153129.7 Ų129.793%0.92778%0.782SS**  trans78.3129.1-176.3-1690000112.6
809G26.1Very low31.5Very low64 Ų64130.2 Ų130.266%0.6680%0.795SS**  cis-173.5160-4.900000110.8
810A33.3Very low30.8Very low107 Ų107134.9 Ų134.988%0.88481%0.806SS**PPolyproline II helixtrans-88.6135.6-177.200000112.6
811P29.7Very low30.3Very low127 Ų127136.6 Ų136.683%0.82581%0.814SS**PPolyproline II helixtrans-102.7140.8160.934.6-28.2000111.9
812R26.4Very low30Very low237 Ų237138.6 Ų138.689%0.89482%0.818SS**PPolyproline II helixtrans-95.6165.3172.1-167172.6175.5-175.5-1.6110
813Q27.6Very low29.8Very low170 Ų170146 Ų14679%0.79482%0.823SS**PPolyproline II helixtrans-48.5144.1-179.3-62.9167-24.500114.4
814H27.6Very low29.6Very low189 Ų189150.4 Ų150.488%0.87583%0.826SS**  trans-139.9161.9151.1-108.7-83.7000111.1
815T26.4Very low29.7Very low134 Ų134157.2 Ų157.282%0.82283%0.833SS**  trans-111.3145.4-160.739.90000114.4
816G25.7Very low29.6Very low80 Ų80156 Ų15683%0.82583%0.831SS**  trans91.298.513400000119.9
817S26.8Very low29.9Very low121 Ų121157 Ų15785%0.84684%0.835SS**  trans-158.6125.7143.858.80000111.6
818Q30.8Very low30.2Very low179 Ų179154.4 Ų154.484%0.83683%0.833SS**  trans-120139.1173.5-97.2-158.95.500111.8R820Q818-R820 PolarHBondContact O-N 3.13Å
819P32.9Very low30.6Very low129 Ų129156.3 Ų156.384%0.83883%0.832SS**  trans-87.573.2160.134.3-31.5000112.2S821P819-S821 PolarHBondContact O-N 3.44Å
820R27Very low31.5Very low226 Ų226158.6 Ų158.685%0.85384%0.836SS**  trans18.592.4146.4-161.7-179.3-162175.95.6118.7Q818Q818-R820 PolarHBondContact O-N 3.13Å
821S30.6Very low31.5Very low115 Ų115161.5 Ų161.580%0.80484%0.835SS**PPolyproline II helixtrans-75.8151.9163.7-178.40000112.7P819P819-S821 PolarHBondContact O-N 3.44Å
822K34.2Very low32.6Very low197 Ų197160.4 Ų160.486%0.85783%0.828SS**PPolyproline II helixtrans-98.3137.6178.8-79.7-175.2177.7177.30112.9
823R32.5Very low33.4Very low226 Ų226159 Ų15985%0.85383%0.829SS**PPolyproline II helixtrans-59.9164.9166.4-71.8174.4167.1177.9-4.6111.4
824K31.8Very low34.2Very low184 Ų184160.1 Ų160.180%0.886%0.855SS**  cis-15915215.5-142.6172.5-178.2-169.80113.7
825R31.4Very low34.5Very low230 Ų230158.7 Ų158.787%0.86885%0.854SS**  trans-44.6143158.5160.9-159-69.5-163.3-3.1115.6
826S30.6Very low34.9Very low112 Ų112160 Ų16078%0.78386%0.856SS**  trans-171.8128.1130.352.70000114.4
827T39.1Very low35.5Very low139 Ų139164.4 Ų164.485%0.85386%0.858SS**  trans-89.4153.4162.829.60000111.3
828P36.5Very low36Very low124 Ų124167 Ų16781%0.80586%0.858SS**  trans-128122.8160.635.4-21.1000114.4
829Q35.4Very low36.3Very low192 Ų192166.3 Ų166.390%0.89786%0.86SS**  trans-135.1154.5143.1-109.9-164.8-10.400105
830P45.9Very low36.5Very low113 Ų113168.7 Ų168.773%0.73486%0.861SS**  cis-134.6-177.933.142.9-27.4000115.1
831L33.5Very low37.2Very low168 Ų168164.6 Ų164.688%0.8886%0.862SS**  trans-158.1129.8152.1-112.3161.8000109.1
832P52Low37.7Very low104 Ų104168.5 Ų168.568%0.67587%0.866SS**  trans-107.5162.5-178.439.3-33.6000113.9
833K44Very low38Very low208 Ų208166.1 Ų166.190%0.90487%0.867SS**  trans64.2112.8168.1-60.1-178179.6-177.20117.4
834S43.2Very low38.5Very low193 Ų193160.6 Ų160.6100%1.3587%0.868SS**  -132.40105.5-172.60000109.3

Retrieved 834 of 834 residues in 754.3 ms (Link to these results)

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