A0A087XGX3_POEFO Loading...

Serine/threonine-protein kinase Sgk1

Protein kinase that may play an important role in cellular stress response. May be involved in the regulation of processes such as cell survival, neuronal excitability and renal sodium excretion.

AlphaFold DB , UniProt , Accession A0A087XGX3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 492 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
1M36.7Very low37.9Very low244 Ų244172.4 Ų172.4100%1.20289%0.886SS**  094.40-74-176.3176.900107.5
2L33.8Very low39.7Very low182 Ų182162.7 Ų162.795%0.95385%0.845SS**  trans-116.4116.5172.1-81.8159.3000106.1
3T37.3Very low41.8Very low137 Ų137160 Ų16084%0.8482%0.823SS**PPolyproline II helixtrans-81.4123.8-178.344.20000110.1
4D31.4Very low44.5Very low158 Ų158149.8 Ų149.885%0.84577%0.772SS**PPolyproline II helixtrans-62.3138.1166.4-93.6-39.3000110.9K6D4-K6 PolarHBondContact O-N 3.08Å
5P46.8Very low47.4Very low114 Ų114146.9 Ų146.974%0.7476%0.759SS**PPolyproline II helixtrans-79.1117.3170.730.6-27.6000109.5M7P5-M7 PolarHBondContact O-N 2.88Å; P5-M7 VanDerWaalsContact O-N 3.14Å
6K39.4Very low50Low204 Ų204138 Ų13889%0.88771%0.713SS**  trans-57.2114.5165.4-80-179.5173.6179.80109.1D4 E8D4-K6 PolarHBondContact O-N 3.08Å; K6-E8 PolarHBondContact O-N 3.48Å
7M35.2Very low52.2Low186 Ų186132.5 Ų132.592%0.91669%0.69SS**  trans-65.4119161.1-85.6-171.2-110.500108.6P5 E9P5-M7 PolarHBondContact O-N 2.88Å; P5-M7 VanDerWaalsContact O-N 3.14Å; M7-E9 PolarHBondContact O-N 2.99Å
8E34.7Very low54Low186 Ų186125.4 Ų125.487%0.86965%0.652SS**  trans-65.2120.4169.7-73.7178147.400110K6 Q10K6-E8 PolarHBondContact O-N 3.48Å; E8-Q10 PolarHBondContact O-N 3.24Å
9E38.5Very low54.8Low199 Ų199121.6 Ų121.693%0.9364%0.636SS**  trans-64.299.8165.4-105180160.900108.9M7 S11M7-E9 PolarHBondContact O-N 2.99Å; E9-S11 PolarHBondContact O-N 2.64Å; E9-S11 VanDerWaalsContact O-N 3.08Å
10Q38.9Very low55.6Low187 Ų187117.2 Ų117.287%0.87462%0.616SS**  trans-62.2111.7165.9-94.9176.5-5.400109.1E8 S12E8-Q10 PolarHBondContact O-N 3.24Å; Q10-S12 PolarHBondContact O-N 2.77Å
11S44.1Very low56.6Low99 Ų99114.7 Ų114.769%0.69260%0.601SS**  trans-60.2101.7173.263.40000109.8E9 F13E9-S11 PolarHBondContact O-N 2.64Å; E9-S11 VanDerWaalsContact O-N 3.08Å; S11-F13 PolarHBondContact O-N 2.75Å
12S60.4Low58.2Low56 Ų56107.3 Ų107.339%0.39257%0.566SS.*PPolyproline II helixtrans-69.7116.5175.655.40000109.9Q10 G41Q10-S12 PolarHBondContact O-N 2.77Å; S12-G41 VanDerWaalsContact CB-CA 3.42Å; S12-G41 WeakPolarHBondContact OG-CA 3.45Å; S12-G41 PolarHBondContact OG-N 3.16Å
13F66.2Low59.9Low128 Ų128103 Ų10356%0.56154%0.541SS*.PPolyproline II helixtrans-59.5142.8172.1-70.1-76000110.9S11 N15 P105S11-F13 PolarHBondContact O-N 2.75Å; F13-N15 PolarHBondContact O-N 2.79Å; F13-P105 HydrophobicContact CE1-CB 4.46Å; F13-P105 HydrophobicContact CE1-CG 3.96Å
14P80.4Confident61.3Low17 Ų1799.9 Ų99.911%0.1152%0.517CS..PPolyproline II helixtrans-65.9135.3176.9-14.226.6000111.9S39 V40 V102 M119P14-S39 CarbonylContact C-O 3.53Å; P14-S39 VanDerWaalsContact CA-O 3.24Å; P14-S39 WeakPolarHBondContact CA-O 3.47Å; P14-V40 HydrophobicContact CB-CG2 3.68Å; P14-V40 HydrophobicContact CG-CG2 3.97Å; P14-V102 HydrophobicContact CB-CB 4.06Å; P14-V102 HydrophobicContact CB-CG1 4.27Å; P14-V102 HydrophobicContact CG-CB 4.46Å; P14-V102 WeakPolarHBondContact O-CG2 3.45Å; P14-M119 HydrophobicContact CB-CE 3.47Å; P14-M119 VanDerWaalsContact CB-CE 3.47Å; P14-M119 HydrophobicContact CG-CE 3.53Å; P14-M119 HydrophobicContact CG-SD 4.31Å
15N86.8Confident62.7Low106 Ų106100.8 Ų100.857%0.56751%0.508SS*.EExtended strand (participates in β ladder)trans-103.5146.8166.8-170.112.2000109.9F13 V38 S39F13-N15 PolarHBondContact O-N 2.79Å; N15-V38 CarbonylContact O-C 3.46Å; N15-V38 WeakPolarHBondContact O-CA 3.38Å; N15-S39 PolarHBondContact N-O 3.44Å; N15-S39 PolarHBondContact O-N 3.48Å
16V89.1Confident62.7Low5 Ų599 Ų993%0.0349%0.493CS..EExtended strand (participates in β ladder)trans-142.2145.7-175.2-660000112.2M37 V38 H95 I98 K99 V102 L117V16-M37 CarbonylContact C-O 3.49Å; V16-M37 WeakPolarHBondContact CA-O 3.37Å; V16-V38 HydrophobicContact CG1-CG1 4.26Å; V16-V38 HydrophobicContact CG1-CG2 4.35Å; V16-H95 PolarHBondContact O-CE1 3.46Å; V16-I98 HydrophobicContact CB-CG2 3.92Å; V16-I98 HydrophobicContact CG1-CG2 3.86Å; V16-I98 HydrophobicContact CG2-CB 4.14Å; V16-I98 HydrophobicContact CG2-CG2 3.64Å; V16-K99 HydrophobicContact CG2-CB 4.28Å; V16-V102 HydrophobicContact CB-CG2 4.36Å; V16-V102 HydrophobicContact CG1-CB 4.42Å; V16-V102 HydrophobicContact CG1-CG1 3.75Å; V16-V102 HydrophobicContact CG1-CG2 4.02Å; V16-V102 HydrophobicContact CG2-CG1 4.45Å; V16-V102 HydrophobicContact CG2-CG2 3.52Å; V16-L117 HydrophobicContact CG1-CD1 4.35Å
17S87.1Confident64.3Low45 Ų4598.5 Ų98.532%0.31549%0.49SS..EExtended strand (participates in β ladder)trans-144.2158.8170.571.10000112.8V36 M37S17-V36 CarbonylContact O-C 3.58Å; S17-V36 WeakPolarHBondContact O-CA 3.43Å; S17-M37 PolarHBondContact N-O 2.9Å; S17-M37 PolarHBondContact O-N 3.42Å; S17-M37 WeakPolarHBondContact OG-CB 3.47Å
18I84.6Confident65.2Low4 Ų499 Ų992%0.02149%0.488CS..  trans-121.279.5172.7-51.8-175000108.1Y34 K35 V36 F54 R91 L94 H95 I98I18-Y34 HydrophobicContact CG2-CD1 4.07Å; I18-Y34 HydrophobicContact CG2-CG 4.38Å; I18-K35 WeakPolarHBondContact CA-O 3.34Å; I18-K35 WeakPolarHBondContact CG2-O 3.17Å; I18-V36 HydrophobicContact CD1-CG2 4.33Å; I18-V36 HydrophobicContact CG1-CG2 4.22Å; I18-F54 HydrophobicContact CD1-CE1 3.94Å; I18-F54 HydrophobicContact CD1-CZ 3.86Å; I18-R91 HydrophobicContact CB-CG 4.21Å; I18-R91 HydrophobicContact CG2-CG 3.69Å; I18-R91 PolarHBondContact O-NH1 2.86Å; I18-L94 HydrophobicContact CD1-CB 3.8Å; I18-H95 HydrophobicContact CB-CB 4.34Å; I18-H95 HydrophobicContact CD1-CB 4.26Å; I18-H95 HydrophobicContact CG1-CB 4.18Å; I18-I98 HydrophobicContact CD1-CD1 4.18Å
19P69.6Low66.2Low53 Ų5398.1 Ų98.134%0.34448%0.481SS..  trans-64.2-45.3-171.623.8-34.7000112.1K35 M37 R91P19-K35 WeakPolarHBondContact CD-O 3.48Å; P19-M37 HydrophobicContact CG-CG 3.73Å; P19-R91 PolarHBondContact O-NH1 2.89Å
20C71.7Confident67.8Low33 Ų3393.3 Ų93.322%0.22345%0.454CS..  trans-136.8171.4-172.963.80000112.7K35C20-K35 PolarHBondContact O-N 2.94Å
21H76.6Confident69.6Low66 Ų6686.1 Ų86.131%0.30642%0.419SS..EExtended strand (participates in β ladder)trans-143.9148174.265.4-82.8000109T32 V33 Y34 I87H21-T32 HydrophobicContact CB-CG2 3.92Å; H21-V33 CarbonylContact C-O 3.58Å; H21-V33 WeakPolarHBondContact CA-O 3.19Å; H21-V33 WeakPolarHBondContact CB-O 3.42Å; H21-Y34 HydrophobicContact CB-CD1 3.77Å; H21-Y34 HydrophobicContact CB-CE1 3.95Å; H21-I87 HydrophobicContact CB-CG2 4.45Å; H21-I87 WeakPolarHBondContact CD2-CG2 3.28Å; H21-I87 WeakPolarHBondContact NE2-CG2 3.3Å
22N69.6Low71.2Confident88 Ų8882 Ų8247%0.47139%0.39SS..EExtended strand (participates in β ladder)trans-124.1139.9177.4-68.454.2000109.3T32 V33N22-T32 WeakPolarHBondContact O-CA 3.09Å; N22-V33 PolarHBondContact N-O 2.93Å; N22-V33 PolarHBondContact O-N 3.32Å
23E70.6Confident72.2Confident92 Ų9279.8 Ų79.843%0.4337%0.374SS..EExtended strand (participates in β ladder)trans-78.6127.5165.8-170.4-177.5130.700109.1R30 F82E23-R30 IonicContact OE1-CZ 2.57Å; E23-R30 VanDerWaalsContact OE1-CZ 3.23Å; E23-R30 IonicContact OE1-NE 3.74Å; E23-R30 PolarHBondContact OE1-NE 2.97Å; E23-R30 IonicContact OE1-NH2 2.8Å; E23-R30 PolarHBondContact OE1-NH2 3.34Å; E23-R30 IonicContact OE2-CZ 3.88Å; E23-R30 IonicContact OE2-NE 2.68Å; E23-R30 IonicContact OE2-NH2 3.96Å; E23-R30 PolarHBondContact OE2-NH2 2.89Å; E23-F82 HydrophobicContact CG-CD1 3.81Å; E23-F82 HydrophobicContact CG-CE1 3.93Å; E23-F82 WeakPolarHBondContact OE2-CD1 3.37Å
24Q66.4Low72.9Confident71 Ų7173.7 Ų73.733%0.33235%0.347SS..EExtended strand (participates in β ladder)trans-120.6149.7174.5-70.2-166.9-9.200110.8R30 Y31 V33Q24-R30 CarbonylContact O-C 3.59Å; Q24-R30 WeakPolarHBondContact O-CA 3.06Å; Q24-Y31 HydrophobicContact CB-CD2 4.1Å; Q24-Y31 HydrophobicContact CB-CE2 3.56Å; Q24-Y31 HydrophobicContact CG-CE2 4.44Å; Q24-Y31 PolarHBondContact N-O 3.32Å; Q24-Y31 PolarHBondContact O-N 3.07Å; Q24-Y31 VanDerWaalsContact O-O 3.14Å; Q24-Y31 PolarHBondContact OE1-OH 3.49Å; Q24-V33 HydrophobicContact CB-CG2 4.21Å; Q24-V33 HydrophobicContact CG-CG2 3.89Å
25R60.5Low73Confident177 Ų17775.6 Ų75.667%0.66835%0.354SS*.EExtended strand (participates in β ladder)trans-122.2126.3176.9-151.6172.8-161.8173.74.5109.3R30R25-R30 HydrophobicContact CG-CG 3.89Å
26D46.6Very low73Confident76 Ų7670.6 Ų70.641%0.40633%0.327SS..EExtended strand (participates in β ladder)trans-121.6119.8170-176.610.6000108.5K28 K29 Y31D26-K28 PolarHBondContact O-N 2.85Å; D26-K28 VanDerWaalsContact O-N 3.07Å; D26-K29 PolarHBondContact N-O 3.37Å; D26-K29 PolarHBondContact O-N 3.2Å; D26-Y31 HydrophobicContact CB-CE1 3.71Å
27K73.6Confident72.6Confident194 Ų19472 Ų7284%0.84333%0.333SS*.THydrogen-bonded Turntrans51-112.1-169.2-56.3176-176.3-178.80111
28K52.3Low72.6Confident198 Ų19869.8 Ų69.886%0.86132%0.318SS*.THydrogen-bonded Turntrans-101.7-2.1177.4-67.3-173.8178.6-178.40113.8D26D26-K28 PolarHBondContact O-N 2.85Å; D26-K28 VanDerWaalsContact O-N 3.07Å
29K55.8Low72.5Confident166 Ų16671.1 Ų71.172%0.72233%0.328SS*.EExtended strand (participates in β ladder)trans-100.3121.3-177.1-68.1-174.5179.5-179.40110D26D26-K29 PolarHBondContact N-O 3.37Å; D26-K29 PolarHBondContact O-N 3.2Å
30R72.9Confident73.1Confident99 Ų9970.4 Ų70.437%0.37432%0.323SS..EExtended strand (participates in β ladder)trans-87.7145171.3-64.4167.166.4-165.4-0.3108.6E23 Q24 R25 F82E23-R30 IonicContact OE1-CZ 2.57Å; E23-R30 VanDerWaalsContact OE1-CZ 3.23Å; E23-R30 IonicContact OE1-NE 3.74Å; E23-R30 PolarHBondContact OE1-NE 2.97Å; E23-R30 IonicContact OE1-NH2 2.8Å; E23-R30 PolarHBondContact OE1-NH2 3.34Å; E23-R30 IonicContact OE2-CZ 3.88Å; E23-R30 IonicContact OE2-NE 2.68Å; E23-R30 IonicContact OE2-NH2 3.96Å; E23-R30 PolarHBondContact OE2-NH2 2.89Å; Q24-R30 CarbonylContact O-C 3.59Å; Q24-R30 WeakPolarHBondContact O-CA 3.06Å; R25-R30 HydrophobicContact CG-CG 3.89Å; R30-F82 HydrophobicContact CB-CD1 4.49Å; R30-F82 HydrophobicContact CB-CD2 4.49Å; R30-F82 HydrophobicContact CB-CE1 3.61Å; R30-F82 HydrophobicContact CB-CE2 3.62Å; R30-F82 HydrophobicContact CB-CZ 3.14Å; R30-F82 HydrophobicContact CG-CZ 4.42Å; R30-F82 VanDerWaalsContact NH2-CG 3.31Å; R30-F82 WeakPolarHBondContact O-CZ 3.25Å
31Y76.7Confident73.4Confident36 Ų3670.9 Ų70.914%0.14133%0.333CS..EExtended strand (participates in β ladder)trans-155.7152.4172.454.6-94.6000111.7Q24 D26 V33 R50 R360Q24-Y31 HydrophobicContact CB-CD2 4.1Å; Q24-Y31 HydrophobicContact CB-CE2 3.56Å; Q24-Y31 HydrophobicContact CG-CE2 4.44Å; Q24-Y31 PolarHBondContact N-O 3.32Å; Q24-Y31 PolarHBondContact O-N 3.07Å; Q24-Y31 VanDerWaalsContact O-O 3.14Å; Q24-Y31 PolarHBondContact OE1-OH 3.49Å; D26-Y31 HydrophobicContact CB-CE1 3.71Å; Y31-V33 HydrophobicContact CD2-CG2 3.76Å; Y31-V33 HydrophobicContact CE2-CG2 3.62Å; Y31-R50 VanDerWaalsContact CD2-CD 3.45Å; Y31-R50 HydrophobicContact CD2-CG 4.04Å; Y31-R50 HydrophobicContact CE2-CG 4.37Å; Y31-R360 PolarHBondContact OH-NH1 2.88Å; Y31-R360 PolarHBondContact OH-NH2 3.2Å
32T77.4Confident72.4Confident11 Ų1178.5 Ų78.57%0.06736%0.359CS..EExtended strand (participates in β ladder)trans-90.7136175.3-44.30000111H21 N22 Y34 I87H21-T32 HydrophobicContact CB-CG2 3.92Å; N22-T32 WeakPolarHBondContact O-CA 3.09Å; T32-Y34 HydrophobicContact CG2-CE1 4.12Å; T32-Y34 HydrophobicContact CG2-CE2 4.09Å; T32-I87 HydrophobicContact CG2-CG2 3.85Å
33V80.6Confident72.4Confident10 Ų1079.7 Ų79.76%0.06136%0.361CS..EExtended strand (participates in β ladder)trans-114.2136.2173.4-1730000109.1H21 N22 Q24 Y31 F48 R50H21-V33 CarbonylContact C-O 3.58Å; H21-V33 WeakPolarHBondContact CA-O 3.19Å; H21-V33 WeakPolarHBondContact CB-O 3.42Å; N22-V33 PolarHBondContact N-O 2.93Å; N22-V33 PolarHBondContact O-N 3.32Å; Q24-V33 HydrophobicContact CB-CG2 4.21Å; Q24-V33 HydrophobicContact CG-CG2 3.89Å; Y31-V33 HydrophobicContact CD2-CG2 3.76Å; Y31-V33 HydrophobicContact CE2-CG2 3.62Å; V33-F48 HydrophobicContact CG1-CB 3.69Å; V33-F48 HydrophobicContact CG1-CD1 3.96Å; V33-F48 HydrophobicContact CG1-CG 4.2Å; V33-R50 HydrophobicContact CG2-CG 4.1Å
34Y82Confident72.9Confident0 Ų080.9 Ų80.90%037%0.367CS..EExtended strand (participates in β ladder)trans-107.9130-179.9-59.6-85.1000109.6I18 H21 T32 F48 R49 F54 I87 R90 R91 L94I18-Y34 HydrophobicContact CG2-CD1 4.07Å; I18-Y34 HydrophobicContact CG2-CG 4.38Å; H21-Y34 HydrophobicContact CB-CD1 3.77Å; H21-Y34 HydrophobicContact CB-CE1 3.95Å; T32-Y34 HydrophobicContact CG2-CE1 4.12Å; T32-Y34 HydrophobicContact CG2-CE2 4.09Å; Y34-F48 WeakPolarHBondContact O-CA 3.4Å; Y34-R49 WeakPolarHBondContact CD2-O 3.42Å; Y34-R49 PolarHBondContact N-O 3.45Å; Y34-R49 PolarHBondContact O-N 2.57Å; Y34-F54 HydrophobicContact CD2-CE2 4.11Å; Y34-F54 HydrophobicContact CG-CE2 4.47Å; Y34-I87 HydrophobicContact CE1-CG2 4.38Å; Y34-R90 WeakPolarHBondContact OH-CD 3.48Å; Y34-R90 WeakPolarHBondContact OH-CG 3.44Å; Y34-R91 HydrophobicContact CD1-CB 4.18Å; Y34-R91 HydrophobicContact CD1-CG 4.06Å; Y34-R91 HydrophobicContact CE1-CB 3.86Å; Y34-R91 HydrophobicContact CE1-CG 4.25Å; Y34-L94 HydrophobicContact CD1-CD1 4.28Å; Y34-L94 HydrophobicContact CD2-CD1 3.73Å; Y34-L94 HydrophobicContact CE1-CD1 4.13Å; Y34-L94 HydrophobicContact CE2-CD1 3.59Å; Y34-L94 HydrophobicContact CG-CD1 4.1Å
35K82.4Confident73.6Confident58 Ų5880.4 Ų80.425%0.25236%0.362SS..EExtended strand (participates in β ladder)trans-81.6115.7170.3-172.4176.9-177.4177.50108I18 P19 C20 M37 F46 F48I18-K35 WeakPolarHBondContact CA-O 3.34Å; I18-K35 WeakPolarHBondContact CG2-O 3.17Å; P19-K35 WeakPolarHBondContact CD-O 3.48Å; C20-K35 PolarHBondContact O-N 2.94Å; K35-M37 HydrophobicContact CD-SD 4.45Å; K35-F46 HydrophobicContact CG-CB 4.07Å; K35-F46 HydrophobicContact CG-CD2 4.34Å; K35-F46 HydrophobicContact CG-CG 4.41Å; K35-F48 HydrophobicContact CB-CD1 4.05Å; K35-F48 HydrophobicContact CB-CE1 3.73Å; K35-F48 HydrophobicContact CD-CE1 4.24Å; K35-F48 HydrophobicContact CD-CZ 4.46Å; K35-F48 HydrophobicContact CG-CD1 4.39Å; K35-F48 HydrophobicContact CG-CE1 3.87Å; K35-F48 HydrophobicContact CG-CZ 4.38Å
36V86.6Confident74.6Confident0 Ų077 Ų770%035%0.352CS..EExtended strand (participates in β ladder)trans-102.4112.1176.5-176.30000108S17 I18 V38 F46 V47 R49 F54 I98 L117S17-V36 CarbonylContact O-C 3.58Å; S17-V36 WeakPolarHBondContact O-CA 3.43Å; I18-V36 HydrophobicContact CD1-CG2 4.33Å; I18-V36 HydrophobicContact CG1-CG2 4.22Å; V36-V38 HydrophobicContact CG1-CG2 4.18Å; V36-F46 CarbonylContact O-C 3.5Å; V36-F46 WeakPolarHBondContact O-CA 3.47Å; V36-V47 HydrophobicContact CB-CG1 3.82Å; V36-V47 HydrophobicContact CG1-CG1 4.39Å; V36-V47 PolarHBondContact N-O 3.33Å; V36-V47 PolarHBondContact O-N 3.29Å; V36-R49 HydrophobicContact CG2-CB 4.42Å; V36-R49 HydrophobicContact CG2-CG 4.37Å; V36-F54 HydrophobicContact CG2-CZ 3.81Å; V36-I98 HydrophobicContact CB-CD1 4.41Å; V36-I98 HydrophobicContact CG1-CD1 3.61Å; V36-I98 HydrophobicContact CG2-CD1 3.86Å; V36-L117 HydrophobicContact CG1-CD2 3.98Å
37M81.6Confident76.3Confident34 Ų3473.8 Ų73.817%0.16734%0.335CS..EExtended strand (participates in β ladder)trans-80.6136.2170.1-59.3-65.2-57.400109V16 S17 P19 K35 E44 F46V16-M37 CarbonylContact C-O 3.49Å; V16-M37 WeakPolarHBondContact CA-O 3.37Å; S17-M37 PolarHBondContact N-O 2.9Å; S17-M37 PolarHBondContact O-N 3.42Å; S17-M37 WeakPolarHBondContact OG-CB 3.47Å; P19-M37 HydrophobicContact CG-CG 3.73Å; K35-M37 HydrophobicContact CD-SD 4.45Å; M37-E44 HydrophobicContact CE-CG 3.95Å; M37-F46 HydrophobicContact SD-CB 3.62Å
38V87.3Confident76.8Confident0 Ų069.3 Ų69.30%032%0.316CS..EExtended strand (participates in β ladder)trans-129.9130.4178.7-171.20000108.4N15 V16 V36 V40 E44 W45 L117 M119N15-V38 CarbonylContact O-C 3.46Å; N15-V38 WeakPolarHBondContact O-CA 3.38Å; V16-V38 HydrophobicContact CG1-CG1 4.26Å; V16-V38 HydrophobicContact CG1-CG2 4.35Å; V36-V38 HydrophobicContact CG1-CG2 4.18Å; V38-V40 HydrophobicContact CG1-CG2 4.42Å; V38-E44 CarbonylContact O-C 3.52Å; V38-E44 VanDerWaalsContact O-CA 3.26Å; V38-E44 WeakPolarHBondContact O-CA 3.31Å; V38-W45 HydrophobicContact CB-CD2 4.09Å; V38-W45 HydrophobicContact CB-CH2 4.33Å; V38-W45 HydrophobicContact CB-CZ2 3.77Å; V38-W45 HydrophobicContact CG1-CH2 3.7Å; V38-W45 HydrophobicContact CG1-CZ2 3.36Å; V38-W45 HydrophobicContact CG1-CZ3 4.38Å; V38-W45 PolarHBondContact N-O 3.02Å; V38-W45 PolarHBondContact O-N 2.94Å; V38-L117 HydrophobicContact CG1-CB 4.44Å; V38-L117 HydrophobicContact CG2-CB 4.16Å; V38-L117 HydrophobicContact CG2-CD2 3.82Å; V38-L117 HydrophobicContact CG2-CG 4.49Å; V38-M119 HydrophobicContact CG1-CE 4.02Å
39S82.6Confident78.3Confident32 Ų3261.7 Ų61.722%0.22428%0.282CS..EExtended strand (participates in β ladder)trans-127.2123.5177.4172.80000109.6P14 N15 H43P14-S39 CarbonylContact C-O 3.53Å; P14-S39 VanDerWaalsContact CA-O 3.24Å; P14-S39 WeakPolarHBondContact CA-O 3.47Å; N15-S39 PolarHBondContact N-O 3.44Å; N15-S39 PolarHBondContact O-N 3.48Å; S39-H43 CarbonylContact C-O 3.53Å; S39-H43 VanDerWaalsContact CA-O 3.24Å; S39-H43 WeakPolarHBondContact CA-O 3.29Å
40V80.9Confident79.9Confident38 Ų3859 Ų5923%0.2327%0.267CS..EExtended strand (participates in β ladder)trans-127.6104.1174.8-1780000107.8P14 V38 R42 H43 W45 M119P14-V40 HydrophobicContact CB-CG2 3.68Å; P14-V40 HydrophobicContact CG-CG2 3.97Å; V38-V40 HydrophobicContact CG1-CG2 4.42Å; V40-R42 PolarHBondContact O-N 3.08Å; V40-R42 VanDerWaalsContact O-N 3.1Å; V40-H43 PolarHBondContact N-O 3.37Å; V40-H43 PolarHBondContact O-N 3.39Å; V40-W45 HydrophobicContact CB-CH2 4.13Å; V40-W45 HydrophobicContact CB-CZ3 4.21Å; V40-W45 HydrophobicContact CG2-CH2 3.59Å; V40-W45 HydrophobicContact CG2-CZ3 4.11Å; V40-M119 HydrophobicContact CG2-CE 4.49Å
41G78.3Confident80.5Confident42 Ų4255.6 Ų55.643%0.43326%0.255SS..THydrogen-bonded Turntrans65.2-111.3-177.900000110.8S12S12-G41 VanDerWaalsContact CB-CA 3.42Å; S12-G41 WeakPolarHBondContact OG-CA 3.45Å; S12-G41 PolarHBondContact OG-N 3.16Å
42R54.8Low80.9Confident227 Ų22756.6 Ų56.686%0.85727%0.27SS*.THydrogen-bonded Turntrans-94.6-9.1178.3-61.6-175.4-176.1-177.32.5113.9V40V40-R42 PolarHBondContact O-N 3.08Å; V40-R42 VanDerWaalsContact O-N 3.1Å
43H69.7Low81.5Confident112 Ų11259 Ų5952%0.51928%0.281SS..EExtended strand (participates in β ladder)trans-93.7133.1-176.7-55.690.7000109.8S39 V40 W45S39-H43 CarbonylContact C-O 3.53Å; S39-H43 VanDerWaalsContact CA-O 3.24Å; S39-H43 WeakPolarHBondContact CA-O 3.29Å; V40-H43 PolarHBondContact N-O 3.37Å; V40-H43 PolarHBondContact O-N 3.39Å; H43-W45 HydrophobicContact CB-CE3 4.29Å; H43-W45 HydrophobicContact CB-CZ3 4Å
44E80.8Confident82.1Confident117 Ų11758.5 Ų58.555%0.54728%0.278SS..EExtended strand (participates in β ladder)trans-133.7136.2172.8-175175.1-131.900109.5M37 V38M37-E44 HydrophobicContact CE-CG 3.95Å; V38-E44 CarbonylContact O-C 3.52Å; V38-E44 VanDerWaalsContact O-CA 3.26Å; V38-E44 WeakPolarHBondContact O-CA 3.31Å
45W82.8Confident82.5Confident61 Ų6159.8 Ų59.823%0.23129%0.285CS..EExtended strand (participates in β ladder)trans-148.7172.9175.865.398.1000109.7V38 V40 H43 L117 M119V38-W45 HydrophobicContact CB-CD2 4.09Å; V38-W45 HydrophobicContact CB-CH2 4.33Å; V38-W45 HydrophobicContact CB-CZ2 3.77Å; V38-W45 HydrophobicContact CG1-CH2 3.7Å; V38-W45 HydrophobicContact CG1-CZ2 3.36Å; V38-W45 HydrophobicContact CG1-CZ3 4.38Å; V38-W45 PolarHBondContact N-O 3.02Å; V38-W45 PolarHBondContact O-N 2.94Å; V40-W45 HydrophobicContact CB-CH2 4.13Å; V40-W45 HydrophobicContact CB-CZ3 4.21Å; V40-W45 HydrophobicContact CG2-CH2 3.59Å; V40-W45 HydrophobicContact CG2-CZ3 4.11Å; H43-W45 HydrophobicContact CB-CE3 4.29Å; H43-W45 HydrophobicContact CB-CZ3 4Å; W45-L117 VanDerWaalsContact CE2-O 3.29Å; W45-L117 WeakPolarHBondContact CZ2-O 3.46Å; W45-L117 PolarHBondContact NE1-O 3.34Å; W45-M119 HydrophobicContact CH2-CG 4.27Å; W45-M119 HydrophobicContact CZ2-CB 4.43Å; W45-M119 HydrophobicContact CZ2-CG 3.92Å
46F80.9Confident83Confident106 Ų10664.4 Ų64.447%0.46531%0.305SS..EExtended strand (participates in β ladder)trans-126.1156.6174.263.9-92.5000111.6K35 V36 M37 F48K35-F46 HydrophobicContact CG-CB 4.07Å; K35-F46 HydrophobicContact CG-CD2 4.34Å; K35-F46 HydrophobicContact CG-CG 4.41Å; V36-F46 CarbonylContact O-C 3.5Å; V36-F46 WeakPolarHBondContact O-CA 3.47Å; M37-F46 HydrophobicContact SD-CB 3.62Å; F46-F48 HydrophobicContact CD2-CD2 4.36Å; F46-F48 AromaticContact CD2-CE2 3.9Å; F46-F48 HydrophobicContact CD2-CE2 3.9Å; F46-F48 HydrophobicContact CD2-CZ 4.17Å; F46-F48 HydrophobicContact CE2-CD2 4.26Å; F46-F48 AromaticContact CE2-CE2 3.54Å; F46-F48 HydrophobicContact CE2-CE2 3.54Å; F46-F48 HydrophobicContact CE2-CZ 4Å
47V81.6Confident83.4Confident8 Ų864.9 Ų64.95%0.04831%0.307CS..EExtended strand (participates in β ladder)trans-141.1137.1175.967.80000110.6V36 R49 L118V36-V47 HydrophobicContact CB-CG1 3.82Å; V36-V47 HydrophobicContact CG1-CG1 4.39Å; V36-V47 PolarHBondContact N-O 3.33Å; V36-V47 PolarHBondContact O-N 3.29Å; V47-R49 HydrophobicContact CG1-CG 4.38Å; V47-R49 VanDerWaalsContact CG2-NH2 3.3Å; V47-L118 HydrophobicContact CB-CD1 4.31Å; V47-L118 HydrophobicContact CG2-CD1 3.83Å; V47-L118 HydrophobicContact CG2-CG 4.29Å
48F83.8Confident84.1Confident101 Ų10165.1 Ų65.144%0.44331%0.306SS..EExtended strand (participates in β ladder)trans-90.1130176.8-69.1-68.4000110.8V33 Y34 K35 F46V33-F48 HydrophobicContact CG1-CB 3.69Å; V33-F48 HydrophobicContact CG1-CD1 3.96Å; V33-F48 HydrophobicContact CG1-CG 4.2Å; Y34-F48 WeakPolarHBondContact O-CA 3.4Å; K35-F48 HydrophobicContact CB-CD1 4.05Å; K35-F48 HydrophobicContact CB-CE1 3.73Å; K35-F48 HydrophobicContact CD-CE1 4.24Å; K35-F48 HydrophobicContact CD-CZ 4.46Å; K35-F48 HydrophobicContact CG-CD1 4.39Å; K35-F48 HydrophobicContact CG-CE1 3.87Å; K35-F48 HydrophobicContact CG-CZ 4.38Å; F46-F48 HydrophobicContact CD2-CD2 4.36Å; F46-F48 AromaticContact CD2-CE2 3.9Å; F46-F48 HydrophobicContact CD2-CE2 3.9Å; F46-F48 HydrophobicContact CD2-CZ 4.17Å; F46-F48 HydrophobicContact CE2-CD2 4.26Å; F46-F48 AromaticContact CE2-CE2 3.54Å; F46-F48 HydrophobicContact CE2-CE2 3.54Å; F46-F48 HydrophobicContact CE2-CZ 4Å
49R85.6Confident84.4Confident38 Ų3867.2 Ų67.214%0.14332%0.318CS..EExtended strand (participates in β ladder)trans-137.7137.5-178.5-66-68.4178.7-111.57.9111.1Y34 V36 V47 E53 F54 F116Y34-R49 WeakPolarHBondContact CD2-O 3.42Å; Y34-R49 PolarHBondContact N-O 3.45Å; Y34-R49 PolarHBondContact O-N 2.57Å; V36-R49 HydrophobicContact CG2-CB 4.42Å; V36-R49 HydrophobicContact CG2-CG 4.37Å; V47-R49 HydrophobicContact CG1-CG 4.38Å; V47-R49 VanDerWaalsContact CG2-NH2 3.3Å; R49-E53 VanDerWaalsContact CD-OE1 3.29Å; R49-E53 WeakPolarHBondContact CD-OE1 3.22Å; R49-E53 IonicContact NE-OE1 3.21Å; R49-E53 IonicContact NH1-OE1 2.79Å; R49-F54 HydrophobicContact CB-CD2 4.03Å; R49-F54 HydrophobicContact CB-CE2 3.37Å; R49-F54 HydrophobicContact CB-CZ 4.03Å; R49-F54 HydrophobicContact CG-CE2 4.47Å; R49-F116 HydrophobicContact CB-CE2 4.34Å; R49-F116 HydrophobicContact CB-CZ 3.95Å; R49-F116 HydrophobicContact CG-CE1 4Å; R49-F116 HydrophobicContact CG-CE2 3.85Å; R49-F116 HydrophobicContact CG-CZ 3.53Å; R49-F116 VanDerWaalsContact CZ-O 3.27Å; R49-F116 PolarHBondContact NE-O 3.24Å; R49-F116 PolarHBondContact NH2-O 3.18Å
50R87.7Confident85Confident109 Ų10967.4 Ų67.441%0.41132%0.318SS..EExtended strand (participates in β ladder)trans-90155.3170.2-61.8-177.3-60.5166.2-0.3110.4Y31 V33 A52 E53 F54Y31-R50 VanDerWaalsContact CD2-CD 3.45Å; Y31-R50 HydrophobicContact CD2-CG 4.04Å; Y31-R50 HydrophobicContact CE2-CG 4.37Å; V33-R50 HydrophobicContact CG2-CG 4.1Å; R50-A52 PolarHBondContact O-N 2.96Å; R50-E53 WeakPolarHBondContact CB-OE2 3.28Å; R50-E53 PolarHBondContact N-OE2 3.46Å; R50-E53 IonicContact NE-OE2 2.79Å; R50-E53 WeakPolarHBondContact O-CB 3.48Å; R50-E53 PolarHBondContact O-N 2.83Å; R50-F54 WeakPolarHBondContact O-CD2 3.48Å; R50-F54 PolarHBondContact O-N 2.97Å
51Y86.1Confident85.6Confident28 Ų2865.6 Ų65.611%0.1131%0.307CS..Hα-helixtrans-48.8-38.4176.4177.8-84.8000113.3E53 F54 D55 P73 K75 R90 L94Y51-E53 PolarHBondContact O-N 3.39Å; Y51-F54 WeakPolarHBondContact O-CB 3.15Å; Y51-F54 PolarHBondContact O-N 2.86Å; Y51-D55 HydrophobicContact CD1-CB 4.41Å; Y51-D55 HydrophobicContact CE1-CB 3.98Å; Y51-D55 WeakPolarHBondContact O-CB 3.38Å; Y51-D55 PolarHBondContact O-N 3.2Å; Y51-P73 VanDerWaalsContact CE2-O 3.26Å; Y51-P73 WeakPolarHBondContact CE2-O 3.42Å; Y51-P73 VanDerWaalsContact CZ-O 3.31Å; Y51-P73 PolarHBondContact OH-O 3.37Å; Y51-K75 HydrophobicContact CD1-CG 4.39Å; Y51-K75 HydrophobicContact CE1-CD 4.19Å; Y51-K75 HydrophobicContact CE1-CG 3.41Å; Y51-K75 VanDerWaalsContact CE1-CG 3.41Å; Y51-K75 PolarHBondContact OH-N 3.23Å; Y51-R90 HydrophobicContact CD2-CG 4.15Å; Y51-L94 HydrophobicContact CD2-CD1 4.33Å; Y51-L94 HydrophobicContact CD2-CD2 4.21Å; Y51-L94 HydrophobicContact CE2-CD2 4.41Å
52A84.8Confident86.3Confident57 Ų5769.6 Ų69.647%0.47131%0.309SS..Hα-helixtrans-60.5-31.1178.300000113.5R50 K56R50-A52 PolarHBondContact O-N 2.96Å; A52-K56 WeakPolarHBondContact O-CB 3.26Å; A52-K56 PolarHBondContact O-N 3.09Å
53E91.2Very high88.1Confident61 Ų6167 Ų6729%0.28530%0.303SS..Hα-helixtrans-76.3-38.3177.8-62.7164.58000110.9R49 R50 Y51 K56 L57 F116R49-E53 VanDerWaalsContact CD-OE1 3.29Å; R49-E53 WeakPolarHBondContact CD-OE1 3.22Å; R49-E53 IonicContact NE-OE1 3.21Å; R49-E53 IonicContact NH1-OE1 2.79Å; R50-E53 WeakPolarHBondContact CB-OE2 3.28Å; R50-E53 PolarHBondContact N-OE2 3.46Å; R50-E53 IonicContact NE-OE2 2.79Å; R50-E53 WeakPolarHBondContact O-CB 3.48Å; R50-E53 PolarHBondContact O-N 2.83Å; Y51-E53 PolarHBondContact O-N 3.39Å; E53-K56 PolarHBondContact O-N 3.07Å; E53-L57 PolarHBondContact O-N 2.86Å; E53-F116 HydrophobicContact CB-CE2 3.97Å
54F92.3Very high89.2Confident0 Ų066.5 Ų66.50%030%0.302CS..Hα-helixtrans-62.4-44170.2-70.9-100.8000111.6I18 Y34 V36 R49 R50 Y51 K56 L57 Y58 L94 F97 I98 F116I18-F54 HydrophobicContact CD1-CE1 3.94Å; I18-F54 HydrophobicContact CD1-CZ 3.86Å; Y34-F54 HydrophobicContact CD2-CE2 4.11Å; Y34-F54 HydrophobicContact CG-CE2 4.47Å; V36-F54 HydrophobicContact CG2-CZ 3.81Å; R49-F54 HydrophobicContact CB-CD2 4.03Å; R49-F54 HydrophobicContact CB-CE2 3.37Å; R49-F54 HydrophobicContact CB-CZ 4.03Å; R49-F54 HydrophobicContact CG-CE2 4.47Å; R50-F54 WeakPolarHBondContact O-CD2 3.48Å; R50-F54 PolarHBondContact O-N 2.97Å; Y51-F54 WeakPolarHBondContact O-CB 3.15Å; Y51-F54 PolarHBondContact O-N 2.86Å; F54-K56 VanDerWaalsContact C-N 3.33Å; F54-K56 PolarHBondContact O-N 2.85Å; F54-L57 PolarHBondContact O-N 3.14Å; F54-Y58 VanDerWaalsContact O-CB 3.27Å; F54-Y58 WeakPolarHBondContact O-CB 3.4Å; F54-Y58 PolarHBondContact O-N 3.18Å; F54-L94 HydrophobicContact CB-CD2 3.79Å; F54-L94 HydrophobicContact CD1-CB 4.2Å; F54-L94 HydrophobicContact CD1-CD1 4.4Å; F54-L94 HydrophobicContact CD1-CD2 3.67Å; F54-L94 HydrophobicContact CD1-CG 4.3Å; F54-L94 HydrophobicContact CD2-CD1 4.07Å; F54-L94 HydrophobicContact CD2-CD2 4.35Å; F54-L94 HydrophobicContact CE1-CB 3.86Å; F54-L94 HydrophobicContact CE1-CD1 4.29Å; F54-L94 HydrophobicContact CE1-CD2 4.19Å; F54-L94 HydrophobicContact CE1-CG 4.33Å; F54-L94 HydrophobicContact CE2-CD1 4.05Å; F54-L94 HydrophobicContact CG-CD1 4.27Å; F54-L94 HydrophobicContact CG-CD2 3.73Å; F54-L94 HydrophobicContact CG-CG 4.48Å; F54-L94 HydrophobicContact CZ-CB 4.33Å; F54-L94 HydrophobicContact CZ-CD1 4.17Å; F54-F97 HydrophobicContact CD1-CD1 4.05Å; F54-F97 HydrophobicContact CD1-CE1 4.3Å; F54-I98 HydrophobicContact CD1-CD1 4.15Å; F54-I98 HydrophobicContact CD1-CG1 4.14Å; F54-I98 HydrophobicContact CE1-CD1 3.27Å; F54-I98 HydrophobicContact CE1-CG1 3.65Å; F54-I98 HydrophobicContact CZ-CD1 3.89Å; F54-F116 HydrophobicContact CD1-CE1 4.5Å; F54-F116 AromaticContact CD1-CZ 3.89Å; F54-F116 HydrophobicContact CD1-CZ 3.89Å; F54-F116 HydrophobicContact CD2-CZ 4.1Å; F54-F116 HydrophobicContact CE1-CE1 4.43Å; F54-F116 HydrophobicContact CE1-CZ 4.07Å; F54-F116 HydrophobicContact CE2-CZ 4.19Å; F54-F116 AromaticContact CG-CZ 3.94Å; F54-F116 HydrophobicContact CG-CZ 3.94Å; F54-F116 HydrophobicContact CZ-CZ 4.17Å
55D91.6Very high89.8Confident27 Ų2763 Ų6314%0.14428%0.284CS..Hα-helixtrans-62.7-39.5177-177.956.4000111.6Y51 N59 I72 K75Y51-D55 HydrophobicContact CD1-CB 4.41Å; Y51-D55 HydrophobicContact CE1-CB 3.98Å; Y51-D55 WeakPolarHBondContact O-CB 3.38Å; Y51-D55 PolarHBondContact O-N 3.2Å; D55-N59 WeakPolarHBondContact O-CB 3.45Å; D55-N59 PolarHBondContact O-N 2.77Å; D55-N59 PolarHBondContact O-ND2 3.5Å; D55-N59 PolarHBondContact OD1-ND2 3.04Å; D55-I72 HydrophobicContact CB-CD1 4.03Å; D55-K75 WeakPolarHBondContact OD2-CE 3.43Å; D55-K75 IonicContact OD2-NZ 3.72Å; D55-K75 PolarHBondContact OD2-NZ 3.43Å
56K93.1Very high90Very high154 Ų15464.6 Ų64.667%0.6730%0.303SS*.Hα-helixtrans-61.7-51.4172.9-173.8-179.2176.6-173.40111.1A52 E53 F54 Y58 N59 T60A52-K56 WeakPolarHBondContact O-CB 3.26Å; A52-K56 PolarHBondContact O-N 3.09Å; E53-K56 PolarHBondContact O-N 3.07Å; F54-K56 VanDerWaalsContact C-N 3.33Å; F54-K56 PolarHBondContact O-N 2.85Å; K56-Y58 VanDerWaalsContact C-N 3.35Å; K56-Y58 PolarHBondContact O-N 2.89Å; K56-N59 PolarHBondContact O-N 3.08Å; K56-T60 PolarHBondContact O-N 3.44Å; K56-T60 PolarHBondContact O-OG1 3.41Å
57L94.8Very high90.4Very high10 Ų1064.1 Ų64.15%0.05231%0.313CS..Hα-helixtrans-59.2-45.8178.4179.863.9000111.5E53 F54 N59 T60 L61 F97 I101 D112 V113 F116E53-L57 PolarHBondContact O-N 2.86Å; F54-L57 PolarHBondContact O-N 3.14Å; L57-N59 PolarHBondContact O-N 3.18Å; L57-T60 PolarHBondContact O-N 2.93Å; L57-L61 HydrophobicContact CD1-CD1 4.03Å; L57-L61 HydrophobicContact CD1-CG 4.1Å; L57-L61 HydrophobicContact CG-CD1 4Å; L57-L61 HydrophobicContact CG-CG 4.4Å; L57-L61 WeakPolarHBondContact O-CG 3.44Å; L57-L61 PolarHBondContact O-N 2.87Å; L57-F97 HydrophobicContact CD2-CE1 4.31Å; L57-I101 HydrophobicContact CD2-CD1 4.31Å; L57-D112 HydrophobicContact CD1-CB 3.82Å; L57-V113 HydrophobicContact CD1-CG2 4.05Å; L57-F116 HydrophobicContact CB-CD2 4.25Å; L57-F116 HydrophobicContact CB-CE2 4.47Å; L57-F116 HydrophobicContact CD2-CB 3.99Å; L57-F116 HydrophobicContact CD2-CD1 3.76Å; L57-F116 HydrophobicContact CD2-CD2 3.94Å; L57-F116 HydrophobicContact CD2-CE1 4.18Å; L57-F116 HydrophobicContact CD2-CE2 4.32Å; L57-F116 HydrophobicContact CD2-CG 3.64Å; L57-F116 HydrophobicContact CD2-CZ 4.44Å
58Y95.7Very high90.5Very high39 Ų3965.9 Ų65.915%0.15332%0.321CS..Hα-helixtrans-55.5-49.1175.9168.8-110.6000112.1F54 K56 T60 L61 R62 L70 I72 F97F54-Y58 VanDerWaalsContact O-CB 3.27Å; F54-Y58 WeakPolarHBondContact O-CB 3.4Å; F54-Y58 PolarHBondContact O-N 3.18Å; K56-Y58 VanDerWaalsContact C-N 3.35Å; K56-Y58 PolarHBondContact O-N 2.89Å; Y58-T60 VanDerWaalsContact C-N 3.32Å; Y58-T60 PolarHBondContact O-N 2.82Å; Y58-L61 PolarHBondContact O-N 3.09Å; Y58-R62 HydrophobicContact CE2-CB 4.34Å; Y58-R62 WeakPolarHBondContact O-CB 3.19Å; Y58-R62 PolarHBondContact O-N 3.15Å; Y58-R62 WeakPolarHBondContact OH-CD 3.3Å; Y58-L70 HydrophobicContact CD2-CB 4.11Å; Y58-L70 HydrophobicContact CE2-CB 3.87Å; Y58-L70 VanDerWaalsContact CE2-O 3.25Å; Y58-L70 WeakPolarHBondContact CE2-O 3.42Å; Y58-L70 PolarHBondContact OH-O 2.79Å; Y58-I72 HydrophobicContact CD1-CD1 3.69Å; Y58-I72 HydrophobicContact CD1-CG1 3.82Å; Y58-I72 HydrophobicContact CD2-CG1 4.41Å; Y58-I72 HydrophobicContact CD2-CG2 3.94Å; Y58-I72 HydrophobicContact CE1-CD1 4.46Å; Y58-I72 HydrophobicContact CE1-CG1 4.2Å; Y58-I72 HydrophobicContact CG-CD1 3.85Å; Y58-I72 HydrophobicContact CG-CG1 3.91Å; Y58-I72 HydrophobicContact CG-CG2 3.89Å; Y58-F97 AromaticContact CD2-CE2 3.83Å; Y58-F97 HydrophobicContact CD2-CE2 3.83Å; Y58-F97 HydrophobicContact CD2-CZ 4.38Å; Y58-F97 HydrophobicContact CG-CE2 4.43Å
59N93.2Very high90.7Very high45 Ų4566.6 Ų66.624%0.24133%0.33CS..Hα-helixtrans-66.4-35.2-179.4-77.9-59.4000112.4D55 K56 L57 R62 K63D55-N59 WeakPolarHBondContact O-CB 3.45Å; D55-N59 PolarHBondContact O-N 2.77Å; D55-N59 PolarHBondContact O-ND2 3.5Å; D55-N59 PolarHBondContact OD1-ND2 3.04Å; K56-N59 PolarHBondContact O-N 3.08Å; L57-N59 PolarHBondContact O-N 3.18Å; N59-R62 PolarHBondContact OD1-NH2 2.88Å; N59-K63 VanDerWaalsContact O-CG 3.32Å; N59-K63 WeakPolarHBondContact O-CG 3.46Å; N59-K63 PolarHBondContact O-N 2.82Å
60T94.6Very high90.9Very high36 Ų3665.3 Ų65.322%0.22133%0.325CS..Hα-helixtrans-62.4-53.5172.5-60.90000110.8K56 L57 Y58 R62 K63 Q64 D112K56-T60 PolarHBondContact O-N 3.44Å; K56-T60 PolarHBondContact O-OG1 3.41Å; L57-T60 PolarHBondContact O-N 2.93Å; Y58-T60 VanDerWaalsContact C-N 3.32Å; Y58-T60 PolarHBondContact O-N 2.82Å; T60-R62 PolarHBondContact O-N 3.3Å; T60-K63 PolarHBondContact O-N 3.5Å; T60-Q64 PolarHBondContact O-N 3.15Å; T60-D112 WeakPolarHBondContact CG2-OD2 3.23Å
61L94.2Very high91Very high0 Ų068 Ų680%034%0.34CS..Hα-helixtrans-67.3-37.4-177.3-64.7178.9000112.6L57 Y58 K63 Q64 F65 L70 I101 L107 H110 V113L57-L61 HydrophobicContact CD1-CD1 4.03Å; L57-L61 HydrophobicContact CD1-CG 4.1Å; L57-L61 HydrophobicContact CG-CD1 4Å; L57-L61 HydrophobicContact CG-CG 4.4Å; L57-L61 WeakPolarHBondContact O-CG 3.44Å; L57-L61 PolarHBondContact O-N 2.87Å; Y58-L61 PolarHBondContact O-N 3.09Å; L61-K63 VanDerWaalsContact C-N 3.31Å; L61-K63 PolarHBondContact O-N 3.1Å; L61-Q64 PolarHBondContact O-N 3.03Å; L61-F65 HydrophobicContact CD2-CD2 4.35Å; L61-F65 HydrophobicContact CD2-CE2 4.3Å; L61-F65 WeakPolarHBondContact O-CB 3.21Å; L61-F65 PolarHBondContact O-N 3.11Å; L61-L70 HydrophobicContact CB-CD1 3.8Å; L61-L70 HydrophobicContact CD1-CD1 4.25Å; L61-I101 HydrophobicContact CD1-CD1 3.43Å; L61-I101 VanDerWaalsContact CD1-CD1 3.43Å; L61-I101 HydrophobicContact CD1-CG1 3.89Å; L61-I101 HydrophobicContact CD1-CG2 4.45Å; L61-L107 HydrophobicContact CD2-CD2 4.15Å; L61-H110 HydrophobicContact CD2-CB 4.47Å; L61-V113 HydrophobicContact CD1-CG2 3.79Å; L61-V113 HydrophobicContact CD2-CG2 4.07Å; L61-V113 HydrophobicContact CG-CG2 4.45Å
62R93.6Very high91.4Very high126 Ų12668 Ų6848%0.47534%0.342SS..Hα-helixtrans-62.1-37.1177.7-177.5179.369.2139-3.4112.5Y58 N59 T60 P66Y58-R62 HydrophobicContact CE2-CB 4.34Å; Y58-R62 WeakPolarHBondContact O-CB 3.19Å; Y58-R62 PolarHBondContact O-N 3.15Å; Y58-R62 WeakPolarHBondContact OH-CD 3.3Å; N59-R62 PolarHBondContact OD1-NH2 2.88Å; T60-R62 PolarHBondContact O-N 3.3Å; R62-P66 WeakPolarHBondContact O-CA 3.34Å
63K92.5Very high91.6Very high171 Ų17166.7 Ų66.774%0.74333%0.329SS*.Hα-helixtrans-68.6-38.4177.4-75.4176.5-179.4-176.10111.8N59 T60 L61N59-K63 VanDerWaalsContact O-CG 3.32Å; N59-K63 WeakPolarHBondContact O-CG 3.46Å; N59-K63 PolarHBondContact O-N 2.82Å; T60-K63 PolarHBondContact O-N 3.5Å; L61-K63 VanDerWaalsContact C-N 3.31Å; L61-K63 PolarHBondContact O-N 3.1Å
64Q92.7Very high90.9Very high103 Ų10367.5 Ų67.548%0.48135%0.346SS..Hα-helixtrans-84.5-30.1-176.8-62.8-170.93800113T60 L61 P66 H110T60-Q64 PolarHBondContact O-N 3.15Å; L61-Q64 PolarHBondContact O-N 3.03Å; Q64-P66 VanDerWaalsContact C-CD 3.49Å; Q64-H110 PolarHBondContact OE1-NE2 2.83Å
65F92.3Very high90.1Very high42 Ų4273.2 Ų73.218%0.18437%0.37CS..  trans-129.963.4-175.9-55-83.9000111.8L61 S67 M68 L107 H110L61-F65 HydrophobicContact CD2-CD2 4.35Å; L61-F65 HydrophobicContact CD2-CE2 4.3Å; L61-F65 WeakPolarHBondContact O-CB 3.21Å; L61-F65 PolarHBondContact O-N 3.11Å; F65-S67 PolarHBondContact O-N 2.92Å; F65-M68 HydrophobicContact CB-CB 4.26Å; F65-M68 HydrophobicContact CB-CG 3.71Å; F65-M68 WeakPolarHBondContact O-CB 3.41Å; F65-M68 PolarHBondContact O-N 2.81Å; F65-M68 VanDerWaalsContact O-N 3.13Å; F65-L107 HydrophobicContact CB-CD2 4.32Å; F65-L107 HydrophobicContact CD1-CD2 4.3Å; F65-L107 HydrophobicContact CD2-CD2 3.44Å; F65-L107 VanDerWaalsContact CD2-CD2 3.44Å; F65-L107 HydrophobicContact CE2-CD2 3.73Å; F65-L107 HydrophobicContact CG-CD2 3.76Å; F65-L107 HydrophobicContact CZ-CD2 4.26Å; F65-H110 AromaticContact CE2-CD2 3.68Å
66P87.6Confident89.2Confident95 Ų9576 Ų7662%0.61738%0.379SS*.G310 helixtrans-63-28.1-174.825-34.3000113.5R62 Q64 M68R62-P66 WeakPolarHBondContact O-CA 3.34Å; Q64-P66 VanDerWaalsContact C-CD 3.49Å; P66-M68 VanDerWaalsContact C-N 3.26Å; P66-M68 PolarHBondContact O-N 2.8Å
67S88.6Confident87.4Confident96 Ų9675.2 Ų75.267%0.67138%0.381SS*.G310 helixtrans-70.8-16.4177.954.80000114.2F65 N69F65-S67 PolarHBondContact O-N 2.92Å; S67-N69 VanDerWaalsContact C-N 3.25Å; S67-N69 PolarHBondContact O-N 3.28Å
68M84.6Confident85Confident46 Ų4683.3 Ų83.323%0.22742%0.416CS..G310 helixtrans-76.8-10-175.4-68.1-66.6169.300113.7F65 P66 L70 R100F65-M68 HydrophobicContact CB-CB 4.26Å; F65-M68 HydrophobicContact CB-CG 3.71Å; F65-M68 WeakPolarHBondContact O-CB 3.41Å; F65-M68 PolarHBondContact O-N 2.81Å; F65-M68 VanDerWaalsContact O-N 3.13Å; P66-M68 VanDerWaalsContact C-N 3.26Å; P66-M68 PolarHBondContact O-N 2.8Å; M68-L70 HydrophobicContact CB-CD2 4.49Å; M68-L70 HydrophobicContact CB-CG 4.12Å; M68-L70 PolarHBondContact O-N 3.32Å; M68-L70 VanDerWaalsContact O-N 3.12Å; M68-R100 PolarHBondContact O-NH2 3.5Å
69N87Confident83.2Confident116 Ų11684.2 Ų84.262%0.6244%0.437SS*.  trans47.442.4177.5-72.8-45.8000113.2S67S67-N69 VanDerWaalsContact C-N 3.25Å; S67-N69 PolarHBondContact O-N 3.28Å
70L90.4Very high82Confident11 Ų1186.3 Ų86.36%0.05845%0.448CS..  trans-62.4147.6176.8-63.3176.2000110.1Y58 L61 M68 F97 R100 I101 L107Y58-L70 HydrophobicContact CD2-CB 4.11Å; Y58-L70 HydrophobicContact CE2-CB 3.87Å; Y58-L70 VanDerWaalsContact CE2-O 3.25Å; Y58-L70 WeakPolarHBondContact CE2-O 3.42Å; Y58-L70 PolarHBondContact OH-O 2.79Å; L61-L70 HydrophobicContact CB-CD1 3.8Å; L61-L70 HydrophobicContact CD1-CD1 4.25Å; M68-L70 HydrophobicContact CB-CD2 4.49Å; M68-L70 HydrophobicContact CB-CG 4.12Å; M68-L70 PolarHBondContact O-N 3.32Å; M68-L70 VanDerWaalsContact O-N 3.12Å; L70-F97 HydrophobicContact CB-CE2 4.38Å; L70-F97 HydrophobicContact CD1-CE2 4.38Å; L70-R100 HydrophobicContact CD2-CG 4.16Å; L70-I101 HydrophobicContact CD2-CG1 4.47Å; L70-L107 HydrophobicContact CD1-CD1 4.25Å; L70-L107 HydrophobicContact CD2-CD1 4.22Å
71K90.6Very high80.6Confident164 Ų16487.2 Ų87.271%0.71345%0.451SS*.  trans-136144.7177.6-63.4-176.1-178.4-179.10109.7F97K71-F97 WeakPolarHBondContact O-CD2 3.38Å
72I93.2Very high79.6Confident29 Ų2989 Ų8915%0.14946%0.459CS..  trans-128.4156165.561.9169.3000108.8D55 Y58 F97D55-I72 HydrophobicContact CB-CD1 4.03Å; Y58-I72 HydrophobicContact CD1-CD1 3.69Å; Y58-I72 HydrophobicContact CD1-CG1 3.82Å; Y58-I72 HydrophobicContact CD2-CG1 4.41Å; Y58-I72 HydrophobicContact CD2-CG2 3.94Å; Y58-I72 HydrophobicContact CE1-CD1 4.46Å; Y58-I72 HydrophobicContact CE1-CG1 4.2Å; Y58-I72 HydrophobicContact CG-CD1 3.85Å; Y58-I72 HydrophobicContact CG-CG1 3.91Å; Y58-I72 HydrophobicContact CG-CG2 3.89Å; I72-F97 HydrophobicContact CG2-CB 4.02Å; I72-F97 HydrophobicContact CG2-CD1 3.76Å; I72-F97 HydrophobicContact CG2-CD2 3.43Å; I72-F97 VanDerWaalsContact CG2-CD2 3.43Å; I72-F97 HydrophobicContact CG2-CE1 4Å; I72-F97 HydrophobicContact CG2-CE2 3.7Å; I72-F97 HydrophobicContact CG2-CG 3.45Å; I72-F97 VanDerWaalsContact CG2-CG 3.45Å; I72-F97 HydrophobicContact CG2-CZ 3.95Å
73P89.4Confident78.9Confident30 Ų3085.9 Ų85.920%0.19545%0.452CS..PPolyproline II helixtrans-54141.5171.6-25.835.4000111.2Y51 R90 L94Y51-P73 VanDerWaalsContact CE2-O 3.26Å; Y51-P73 WeakPolarHBondContact CE2-O 3.42Å; Y51-P73 VanDerWaalsContact CZ-O 3.31Å; Y51-P73 PolarHBondContact OH-O 3.37Å; P73-R90 HydrophobicContact CB-CG 4.24Å; P73-R90 HydrophobicContact CG-CG 4.45Å; P73-L94 HydrophobicContact CG-CG 4.44Å
74A77Confident78.2Confident78 Ų7882.5 Ų82.565%0.64545%0.447SS*.PPolyproline II helixtrans-67155.5-179.200000112.8R76A74-R76 PolarHBondContact O-N 3.33Å
75K76.1Confident77.7Confident119 Ų11982.1 Ų82.152%0.51745%0.446SS..PPolyproline II helixtrans-66.7127.4164.9-71.2178.5-174.8169.60108.1Y51 D55 I77Y51-K75 HydrophobicContact CD1-CG 4.39Å; Y51-K75 HydrophobicContact CE1-CD 4.19Å; Y51-K75 HydrophobicContact CE1-CG 3.41Å; Y51-K75 VanDerWaalsContact CE1-CG 3.41Å; Y51-K75 PolarHBondContact OH-N 3.23Å; D55-K75 WeakPolarHBondContact OD2-CE 3.43Å; D55-K75 IonicContact OD2-NZ 3.72Å; D55-K75 PolarHBondContact OD2-NZ 3.43Å; K75-I77 PolarHBondContact O-N 3.33Å
76R71.8Confident77.1Confident86 Ų8681.6 Ų81.633%0.32544%0.443SS..  trans-84.1108.3172.3179.7176.1-166.4171.811.5107.8A74 F78 D80 N81 D83 F86A74-R76 PolarHBondContact O-N 3.33Å; R76-F78 WeakPolarHBondContact CG-O 3.36Å; R76-F78 PolarHBondContact NE-O 3.25Å; R76-D80 PolarHBondContact NH1-O 2.94Å; R76-N81 PolarHBondContact O-ND2 2.57Å; R76-D83 IonicContact NH1-OD1 3.19Å; R76-F86 HydrophobicContact CB-CE1 3.78Å; R76-F86 HydrophobicContact CB-CE2 3.87Å; R76-F86 HydrophobicContact CB-CZ 3.25Å; R76-F86 HydrophobicContact CG-CE1 4.36Å; R76-F86 HydrophobicContact CG-CE2 4.37Å; R76-F86 HydrophobicContact CG-CZ 4.05Å
77I56Low76.9Confident138 Ų13877.5 Ų77.571%0.70842%0.416SS*.  trans-88.5-20.8-175.7-56.5173.4000110.7K75K75-I77 PolarHBondContact O-N 3.33Å
78F44.7Very low76.6Confident180 Ų18078.4 Ų78.479%0.78941%0.408SS*.SBendtrans-133.6139177.6-58.8-81.1000111.3R76R76-F78 WeakPolarHBondContact CG-O 3.36Å; R76-F78 PolarHBondContact NE-O 3.25Å
79G57.8Low76.7Confident57 Ų5781.8 Ų81.859%0.58842%0.423SS*.SBendtrans95.3175.7-177.200000114.4N81G79-N81 PolarHBondContact O-N 3.33Å
80D66.9Low76.8Confident90 Ų9077.1 Ų77.148%0.48140%0.397SS..  trans-71.7119.5-177-165.8-3.5000111.3R76 F82R76-D80 PolarHBondContact NH1-O 2.94Å; D80-F82 PolarHBondContact O-N 3.28Å; D80-F82 WeakPolarHBondContact OD1-CB 3.5Å; D80-F82 WeakPolarHBondContact OD1-CD2 2.99Å; D80-F82 PolarHBondContact OD1-N 3.45Å
81N65.9Low76.9Confident55 Ų5579.8 Ų79.829%0.29441%0.406SS..THydrogen-bonded Turntrans-75.3-6.5175.5-89.2-64.8000112.7R76 G79 R90R76-N81 PolarHBondContact O-ND2 2.57Å; G79-N81 PolarHBondContact O-N 3.33Å; N81-R90 PolarHBondContact OD1-NH2 2.99Å
82F73.6Confident76.8Confident37 Ų3774.7 Ų74.716%0.16240%0.395CS..THydrogen-bonded Turntrans-108.17.1179.4-56.4-77.5000113.7E23 R30 D80 P84E23-F82 HydrophobicContact CG-CD1 3.81Å; E23-F82 HydrophobicContact CG-CE1 3.93Å; E23-F82 WeakPolarHBondContact OE2-CD1 3.37Å; R30-F82 HydrophobicContact CB-CD1 4.49Å; R30-F82 HydrophobicContact CB-CD2 4.49Å; R30-F82 HydrophobicContact CB-CE1 3.61Å; R30-F82 HydrophobicContact CB-CE2 3.62Å; R30-F82 HydrophobicContact CB-CZ 3.14Å; R30-F82 HydrophobicContact CG-CZ 4.42Å; R30-F82 VanDerWaalsContact NH2-CG 3.31Å; R30-F82 WeakPolarHBondContact O-CZ 3.25Å; D80-F82 PolarHBondContact O-N 3.28Å; D80-F82 WeakPolarHBondContact OD1-CB 3.5Å; D80-F82 WeakPolarHBondContact OD1-CD2 2.99Å; D80-F82 PolarHBondContact OD1-N 3.45Å; F82-P84 WeakPolarHBondContact O-CD 3.46Å
83D78.1Confident76.8Confident60 Ų6074.4 Ų74.432%0.32140%0.399SS..  trans-56.8124171.7171.3-112.2000110.5R76 E85 F86 I87R76-D83 IonicContact NH1-OD1 3.19Å; D83-E85 VanDerWaalsContact C-N 3.32Å; D83-E85 PolarHBondContact O-N 3.37Å; D83-F86 HydrophobicContact CB-CB 3.87Å; D83-F86 WeakPolarHBondContact O-CB 3.43Å; D83-F86 PolarHBondContact O-N 3.11Å; D83-F86 WeakPolarHBondContact OD1-CB 3.02Å; D83-F86 PolarHBondContact OD1-N 3.39Å; D83-I87 WeakPolarHBondContact O-CG1 3.26Å; D83-I87 PolarHBondContact O-N 3.46Å
84P78.4Confident77Confident100 Ų10073 Ų7365%0.64939%0.39SS*.Hα-helixtrans-59.2-39.4-173.4-27.334.9000113.9F82 I87 K88F82-P84 WeakPolarHBondContact O-CD 3.46Å; P84-I87 PolarHBondContact O-N 3.08Å; P84-K88 WeakPolarHBondContact O-CB 3.32Å; P84-K88 PolarHBondContact O-N 3.31Å
85E81Confident77.8Confident95 Ų9571.8 Ų71.844%0.44437%0.371SS..Hα-helixtrans-69-41.5179.7-174.752.7-144.800110.7D83 I87 K88 Q89D83-E85 VanDerWaalsContact C-N 3.32Å; D83-E85 PolarHBondContact O-N 3.37Å; E85-I87 PolarHBondContact O-N 3.35Å; E85-K88 WeakPolarHBondContact O-CB 3.48Å; E85-K88 PolarHBondContact O-N 2.99Å; E85-Q89 WeakPolarHBondContact O-CG 3.44Å; E85-Q89 PolarHBondContact O-N 2.82Å; E85-Q89 PolarHBondContact OE1-NE2 3.33Å; E85-Q89 VanDerWaalsContact OE1-NE2 3.08Å
86F81.2Confident78.6Confident32 Ų3271.1 Ų71.114%0.1437%0.37CS..Hα-helixtrans-61-42.5172.6178.6-113.4000113.2R76 D83 K88 Q89 R90R76-F86 HydrophobicContact CB-CE1 3.78Å; R76-F86 HydrophobicContact CB-CE2 3.87Å; R76-F86 HydrophobicContact CB-CZ 3.25Å; R76-F86 HydrophobicContact CG-CE1 4.36Å; R76-F86 HydrophobicContact CG-CE2 4.37Å; R76-F86 HydrophobicContact CG-CZ 4.05Å; D83-F86 HydrophobicContact CB-CB 3.87Å; D83-F86 WeakPolarHBondContact O-CB 3.43Å; D83-F86 PolarHBondContact O-N 3.11Å; D83-F86 WeakPolarHBondContact OD1-CB 3.02Å; D83-F86 PolarHBondContact OD1-N 3.39Å; F86-K88 VanDerWaalsContact C-N 3.35Å; F86-Q89 PolarHBondContact O-N 2.89Å; F86-R90 VanDerWaalsContact CE1-NH1 3.35Å; F86-R90 VanDerWaalsContact O-CB 3.28Å; F86-R90 WeakPolarHBondContact O-CB 3.33Å; F86-R90 PolarHBondContact O-N 2.81Å
87I81.9Confident79.7Confident9 Ų967.2 Ų67.25%0.04636%0.355CS..Hα-helixtrans-66.5-40.1177-62164.3000110.7H21 T32 Y34 D83 P84 E85 R90 R91H21-I87 HydrophobicContact CB-CG2 4.45Å; H21-I87 WeakPolarHBondContact CD2-CG2 3.28Å; H21-I87 WeakPolarHBondContact NE2-CG2 3.3Å; T32-I87 HydrophobicContact CG2-CG2 3.85Å; Y34-I87 HydrophobicContact CE1-CG2 4.38Å; D83-I87 WeakPolarHBondContact O-CG1 3.26Å; D83-I87 PolarHBondContact O-N 3.46Å; P84-I87 PolarHBondContact O-N 3.08Å; E85-I87 PolarHBondContact O-N 3.35Å; I87-R90 PolarHBondContact O-N 2.85Å; I87-R91 WeakPolarHBondContact O-CB 3.45Å; I87-R91 PolarHBondContact O-N 2.95Å
88K83.6Confident81.5Confident115 Ų11560.8 Ų60.850%0.532%0.322SS..Hα-helixtrans-59.2-47.4175.4-175-178.6177.5-175.50111.6P84 E85 F86 R91 A92P84-K88 WeakPolarHBondContact O-CB 3.32Å; P84-K88 PolarHBondContact O-N 3.31Å; E85-K88 WeakPolarHBondContact O-CB 3.48Å; E85-K88 PolarHBondContact O-N 2.99Å; F86-K88 VanDerWaalsContact C-N 3.35Å; K88-R91 PolarHBondContact O-N 3.46Å; K88-A92 PolarHBondContact O-N 2.88Å; K88-A92 VanDerWaalsContact O-N 3.08Å
89Q86.3Confident83.8Confident117 Ų11756.7 Ų56.755%0.54730%0.304SS..Hα-helixtrans-64.3-43.3176.4-70.4175.11300112.2E85 F86 R91 A92 G93E85-Q89 WeakPolarHBondContact O-CG 3.44Å; E85-Q89 PolarHBondContact O-N 2.82Å; E85-Q89 PolarHBondContact OE1-NE2 3.33Å; E85-Q89 VanDerWaalsContact OE1-NE2 3.08Å; F86-Q89 PolarHBondContact O-N 2.89Å; Q89-R91 PolarHBondContact O-N 3.36Å; Q89-A92 PolarHBondContact O-N 2.79Å; Q89-G93 PolarHBondContact O-N 2.94Å
90R89.3Confident85.5Confident17 Ų1759.2 Ų59.26%0.06430%0.296CS..Hα-helixtrans-61.4-44.4176.2-178.1-179.8-84.5167.3-10.2111.2Y34 Y51 P73 N81 F86 I87 A92 G93 L94Y34-R90 WeakPolarHBondContact OH-CD 3.48Å; Y34-R90 WeakPolarHBondContact OH-CG 3.44Å; Y51-R90 HydrophobicContact CD2-CG 4.15Å; P73-R90 HydrophobicContact CB-CG 4.24Å; P73-R90 HydrophobicContact CG-CG 4.45Å; N81-R90 PolarHBondContact OD1-NH2 2.99Å; F86-R90 VanDerWaalsContact CE1-NH1 3.35Å; F86-R90 VanDerWaalsContact O-CB 3.28Å; F86-R90 WeakPolarHBondContact O-CB 3.33Å; F86-R90 PolarHBondContact O-N 2.81Å; I87-R90 PolarHBondContact O-N 2.85Å; R90-A92 PolarHBondContact O-N 3.16Å; R90-G93 PolarHBondContact O-N 2.87Å; R90-L94 HydrophobicContact CG-CD1 4.22Å; R90-L94 HydrophobicContact CG-CG 4.42Å; R90-L94 VanDerWaalsContact O-CG 3.3Å; R90-L94 WeakPolarHBondContact O-CG 3.12Å; R90-L94 PolarHBondContact O-N 3.07Å
91R91.6Very high86.7Confident67 Ų6755 Ų5525%0.25327%0.273SS..Hα-helixtrans-58.2-47.1176.1-173.9177.762.686.5-1.4111.5I18 P19 Y34 I87 K88 Q89 G93 L94 H95I18-R91 HydrophobicContact CB-CG 4.21Å; I18-R91 HydrophobicContact CG2-CG 3.69Å; I18-R91 PolarHBondContact O-NH1 2.86Å; P19-R91 PolarHBondContact O-NH1 2.89Å; Y34-R91 HydrophobicContact CD1-CB 4.18Å; Y34-R91 HydrophobicContact CD1-CG 4.06Å; Y34-R91 HydrophobicContact CE1-CB 3.86Å; Y34-R91 HydrophobicContact CE1-CG 4.25Å; I87-R91 WeakPolarHBondContact O-CB 3.45Å; I87-R91 PolarHBondContact O-N 2.95Å; K88-R91 PolarHBondContact O-N 3.46Å; Q89-R91 PolarHBondContact O-N 3.36Å; R91-G93 PolarHBondContact O-N 3.35Å; R91-L94 PolarHBondContact O-N 2.88Å; R91-H95 WeakPolarHBondContact O-CB 3.21Å; R91-H95 PolarHBondContact O-N 2.78Å
92A89.5Confident87.9Confident57 Ų5752.5 Ų52.547%0.47126%0.26SS..Hα-helixtrans-59.6-44.6178.800000112.1K88 Q89 R90 H95 E96K88-A92 PolarHBondContact O-N 2.88Å; K88-A92 VanDerWaalsContact O-N 3.08Å; Q89-A92 PolarHBondContact O-N 2.79Å; R90-A92 PolarHBondContact O-N 3.16Å; A92-H95 WeakPolarHBondContact O-CB 3.19Å; A92-H95 PolarHBondContact O-N 3.26Å; A92-E96 PolarHBondContact O-N 2.77Å; A92-E96 VanDerWaalsContact O-N 3.08Å
93G91.9Very high88.7Confident24 Ų2455 Ų5525%0.24728%0.279CS..Hα-helixtrans-71.8-30.5177.900000114.2Q89 R90 R91 F97Q89-G93 PolarHBondContact O-N 2.94Å; R90-G93 PolarHBondContact O-N 2.87Å; R91-G93 PolarHBondContact O-N 3.35Å; G93-F97 WeakPolarHBondContact O-CB 3.35Å; G93-F97 PolarHBondContact O-N 2.99Å; G93-F97 VanDerWaalsContact O-N 3.11Å
94L94.4Very high89.3Confident0 Ų054 Ų540%027%0.273CS..Hα-helixtrans-68.9-36.1170.9-68.8-179.9000111.9I18 Y34 Y51 F54 P73 R90 R91 F97 I98I18-L94 HydrophobicContact CD1-CB 3.8Å; Y34-L94 HydrophobicContact CD1-CD1 4.28Å; Y34-L94 HydrophobicContact CD2-CD1 3.73Å; Y34-L94 HydrophobicContact CE1-CD1 4.13Å; Y34-L94 HydrophobicContact CE2-CD1 3.59Å; Y34-L94 HydrophobicContact CG-CD1 4.1Å; Y51-L94 HydrophobicContact CD2-CD1 4.33Å; Y51-L94 HydrophobicContact CD2-CD2 4.21Å; Y51-L94 HydrophobicContact CE2-CD2 4.41Å; F54-L94 HydrophobicContact CB-CD2 3.79Å; F54-L94 HydrophobicContact CD1-CB 4.2Å; F54-L94 HydrophobicContact CD1-CD1 4.4Å; F54-L94 HydrophobicContact CD1-CD2 3.67Å; F54-L94 HydrophobicContact CD1-CG 4.3Å; F54-L94 HydrophobicContact CD2-CD1 4.07Å; F54-L94 HydrophobicContact CD2-CD2 4.35Å; F54-L94 HydrophobicContact CE1-CB 3.86Å; F54-L94 HydrophobicContact CE1-CD1 4.29Å; F54-L94 HydrophobicContact CE1-CD2 4.19Å; F54-L94 HydrophobicContact CE1-CG 4.33Å; F54-L94 HydrophobicContact CE2-CD1 4.05Å; F54-L94 HydrophobicContact CG-CD1 4.27Å; F54-L94 HydrophobicContact CG-CD2 3.73Å; F54-L94 HydrophobicContact CG-CG 4.48Å; F54-L94 HydrophobicContact CZ-CB 4.33Å; F54-L94 HydrophobicContact CZ-CD1 4.17Å; P73-L94 HydrophobicContact CG-CG 4.44Å; R90-L94 HydrophobicContact CG-CD1 4.22Å; R90-L94 HydrophobicContact CG-CG 4.42Å; R90-L94 VanDerWaalsContact O-CG 3.3Å; R90-L94 WeakPolarHBondContact O-CG 3.12Å; R90-L94 PolarHBondContact O-N 3.07Å; R91-L94 PolarHBondContact O-N 2.88Å; L94-F97 PolarHBondContact O-N 3.48Å; L94-I98 PolarHBondContact O-N 2.91Å; L94-I98 VanDerWaalsContact O-N 3.12Å
95H93.3Very high89.7Confident52 Ų5252.8 Ų52.824%0.24127%0.265CS..Hα-helixtrans-61.7-48.8174.7173.568.1000111V16 I18 R91 A92 F97 I98 K99V16-H95 PolarHBondContact O-CE1 3.46Å; I18-H95 HydrophobicContact CB-CB 4.34Å; I18-H95 HydrophobicContact CD1-CB 4.26Å; I18-H95 HydrophobicContact CG1-CB 4.18Å; R91-H95 WeakPolarHBondContact O-CB 3.21Å; R91-H95 PolarHBondContact O-N 2.78Å; A92-H95 WeakPolarHBondContact O-CB 3.19Å; A92-H95 PolarHBondContact O-N 3.26Å; H95-F97 VanDerWaalsContact C-N 3.29Å; H95-F97 PolarHBondContact O-N 3.29Å; H95-I98 PolarHBondContact O-N 3.2Å; H95-K99 WeakPolarHBondContact O-CB 3.46Å; H95-K99 PolarHBondContact O-N 2.83Å
96E93.9Very high90.1Very high106 Ų10653.9 Ų53.950%0.49527%0.27SS..Hα-helixtrans-61.5-38.6178-173.455.5-151.400112.1A92 K99 R100A92-E96 PolarHBondContact O-N 2.77Å; A92-E96 VanDerWaalsContact O-N 3.08Å; E96-K99 PolarHBondContact O-N 3.21Å; E96-R100 WeakPolarHBondContact O-CB 3.48Å; E96-R100 PolarHBondContact O-N 3.44Å
97F95.3Very high90.6Very high4 Ų452.4 Ų52.42%0.01826%0.264CS..Hα-helixtrans-60.2-51.6175.8169.5-110.6000113F54 L57 Y58 L70 K71 I72 G93 L94 H95 R100 I101F54-F97 HydrophobicContact CD1-CD1 4.05Å; F54-F97 HydrophobicContact CD1-CE1 4.3Å; L57-F97 HydrophobicContact CD2-CE1 4.31Å; Y58-F97 AromaticContact CD2-CE2 3.83Å; Y58-F97 HydrophobicContact CD2-CE2 3.83Å; Y58-F97 HydrophobicContact CD2-CZ 4.38Å; Y58-F97 HydrophobicContact CG-CE2 4.43Å; L70-F97 HydrophobicContact CB-CE2 4.38Å; L70-F97 HydrophobicContact CD1-CE2 4.38Å; K71-F97 WeakPolarHBondContact O-CD2 3.38Å; I72-F97 HydrophobicContact CG2-CB 4.02Å; I72-F97 HydrophobicContact CG2-CD1 3.76Å; I72-F97 HydrophobicContact CG2-CD2 3.43Å; I72-F97 VanDerWaalsContact CG2-CD2 3.43Å; I72-F97 HydrophobicContact CG2-CE1 4Å; I72-F97 HydrophobicContact CG2-CE2 3.7Å; I72-F97 HydrophobicContact CG2-CG 3.45Å; I72-F97 VanDerWaalsContact CG2-CG 3.45Å; I72-F97 HydrophobicContact CG2-CZ 3.95Å; G93-F97 WeakPolarHBondContact O-CB 3.35Å; G93-F97 PolarHBondContact O-N 2.99Å; G93-F97 VanDerWaalsContact O-N 3.11Å; L94-F97 PolarHBondContact O-N 3.48Å; H95-F97 VanDerWaalsContact C-N 3.29Å; H95-F97 PolarHBondContact O-N 3.29Å; F97-R100 PolarHBondContact O-N 3.26Å; F97-I101 HydrophobicContact CD1-CD1 4.1Å; F97-I101 HydrophobicContact CD2-CD1 3.94Å; F97-I101 HydrophobicContact CE1-CD1 3.58Å; F97-I101 HydrophobicContact CE2-CD1 3.38Å; F97-I101 HydrophobicContact CE2-CG1 4.29Å; F97-I101 HydrophobicContact CG-CD1 4.29Å; F97-I101 HydrophobicContact CZ-CD1 3.19Å; F97-I101 HydrophobicContact CZ-CG1 4.49Å; F97-I101 WeakPolarHBondContact O-CG1 3.43Å; F97-I101 PolarHBondContact O-N 3.05Å
98I93.9Very high91Very high3 Ų352.6 Ų52.62%0.01527%0.266CS..Hα-helixtrans-66.7-41.8179.1-58.1-177.1000110.1V16 I18 V36 F54 L94 H95 R100 I101 V102 F116 L117V16-I98 HydrophobicContact CB-CG2 3.92Å; V16-I98 HydrophobicContact CG1-CG2 3.86Å; V16-I98 HydrophobicContact CG2-CB 4.14Å; V16-I98 HydrophobicContact CG2-CG2 3.64Å; I18-I98 HydrophobicContact CD1-CD1 4.18Å; V36-I98 HydrophobicContact CB-CD1 4.41Å; V36-I98 HydrophobicContact CG1-CD1 3.61Å; V36-I98 HydrophobicContact CG2-CD1 3.86Å; F54-I98 HydrophobicContact CD1-CD1 4.15Å; F54-I98 HydrophobicContact CD1-CG1 4.14Å; F54-I98 HydrophobicContact CE1-CD1 3.27Å; F54-I98 HydrophobicContact CE1-CG1 3.65Å; F54-I98 HydrophobicContact CZ-CD1 3.89Å; L94-I98 PolarHBondContact O-N 2.91Å; L94-I98 VanDerWaalsContact O-N 3.12Å; H95-I98 PolarHBondContact O-N 3.2Å; I98-R100 VanDerWaalsContact C-N 3.26Å; I98-R100 PolarHBondContact O-N 3.15Å; I98-I101 WeakPolarHBondContact O-CB 3.34Å; I98-I101 PolarHBondContact O-N 3.35Å; I98-V102 HydrophobicContact CG2-CG1 4.18Å; I98-V102 PolarHBondContact O-N 3.05Å; I98-F116 HydrophobicContact CD1-CE1 3.87Å; I98-F116 HydrophobicContact CG1-CE1 4.49Å; I98-L117 HydrophobicContact CD1-CD2 4.45Å; I98-L117 HydrophobicContact CG2-CD1 4.17Å; I98-L117 HydrophobicContact CG2-CD2 3.99Å
99K93.1Very high91.2Very high93 Ų9350.4 Ų50.440%0.40427%0.265SS..Hα-helixtrans-54.6-44.5178.2-171.6178.1-179-177.90111.4V16 H95 E96 I101 V102 T103V16-K99 HydrophobicContact CG2-CB 4.28Å; H95-K99 WeakPolarHBondContact O-CB 3.46Å; H95-K99 PolarHBondContact O-N 2.83Å; E96-K99 PolarHBondContact O-N 3.21Å; K99-I101 VanDerWaalsContact C-N 3.34Å; K99-I101 PolarHBondContact O-N 3.36Å; K99-V102 WeakPolarHBondContact O-CG2 3.43Å; K99-V102 PolarHBondContact O-N 3.34Å; K99-T103 VanDerWaalsContact O-CG2 3.26Å; K99-T103 WeakPolarHBondContact O-CG2 3.47Å; K99-T103 PolarHBondContact O-N 2.89Å; K99-T103 VanDerWaalsContact O-N 3.1Å; K99-T103 PolarHBondContact O-OG1 2.88Å
100R92.3Very high91.6Very high111 Ų11145.7 Ų45.742%0.41924%0.243SC..Hα-helixtrans-66.6-31.8177-173.8170.1176.4160.2-2.9113.9M68 L70 E96 F97 I98 T103M68-R100 PolarHBondContact O-NH2 3.5Å; L70-R100 HydrophobicContact CD2-CG 4.16Å; E96-R100 WeakPolarHBondContact O-CB 3.48Å; E96-R100 PolarHBondContact O-N 3.44Å; F97-R100 PolarHBondContact O-N 3.26Å; I98-R100 VanDerWaalsContact C-N 3.26Å; I98-R100 PolarHBondContact O-N 3.15Å; R100-T103 PolarHBondContact O-OG1 3.07Å
101I93.3Very high91.6Very high2 Ų249.3 Ų49.31%0.0127%0.269CS..Hα-helixtrans-71-45176.2-75.7168000110.7L57 L61 L70 F97 I98 K99 N104 L107 S108 V113L57-I101 HydrophobicContact CD2-CD1 4.31Å; L61-I101 HydrophobicContact CD1-CD1 3.43Å; L61-I101 VanDerWaalsContact CD1-CD1 3.43Å; L61-I101 HydrophobicContact CD1-CG1 3.89Å; L61-I101 HydrophobicContact CD1-CG2 4.45Å; L70-I101 HydrophobicContact CD2-CG1 4.47Å; F97-I101 HydrophobicContact CD1-CD1 4.1Å; F97-I101 HydrophobicContact CD2-CD1 3.94Å; F97-I101 HydrophobicContact CE1-CD1 3.58Å; F97-I101 HydrophobicContact CE2-CD1 3.38Å; F97-I101 HydrophobicContact CE2-CG1 4.29Å; F97-I101 HydrophobicContact CG-CD1 4.29Å; F97-I101 HydrophobicContact CZ-CD1 3.19Å; F97-I101 HydrophobicContact CZ-CG1 4.49Å; F97-I101 WeakPolarHBondContact O-CG1 3.43Å; F97-I101 PolarHBondContact O-N 3.05Å; I98-I101 WeakPolarHBondContact O-CB 3.34Å; I98-I101 PolarHBondContact O-N 3.35Å; K99-I101 VanDerWaalsContact C-N 3.34Å; K99-I101 PolarHBondContact O-N 3.36Å; I101-N104 PolarHBondContact O-N 3.13Å; I101-L107 HydrophobicContact CG1-CD1 4.34Å; I101-L107 HydrophobicContact CG2-CB 4.08Å; I101-L107 WeakPolarHBondContact O-CB 3.3Å; I101-S108 PolarHBondContact O-N 3.01Å; I101-V113 HydrophobicContact CG2-CB 4.11Å; I101-V113 HydrophobicContact CG2-CG1 3.41Å; I101-V113 VanDerWaalsContact CG2-CG1 3.41Å; I101-V113 HydrophobicContact CG2-CG2 3.51Å
102V91.2Very high91.6Very high2 Ų249.6 Ų49.61%0.01228%0.275CS..Hα-helixtrans-77.3-25.1-175.6-61.20000113.9P14 V16 I98 K99 N104 S108 L117 M119P14-V102 HydrophobicContact CB-CB 4.06Å; P14-V102 HydrophobicContact CB-CG1 4.27Å; P14-V102 HydrophobicContact CG-CB 4.46Å; P14-V102 WeakPolarHBondContact O-CG2 3.45Å; V16-V102 HydrophobicContact CB-CG2 4.36Å; V16-V102 HydrophobicContact CG1-CB 4.42Å; V16-V102 HydrophobicContact CG1-CG1 3.75Å; V16-V102 HydrophobicContact CG1-CG2 4.02Å; V16-V102 HydrophobicContact CG2-CG1 4.45Å; V16-V102 HydrophobicContact CG2-CG2 3.52Å; I98-V102 HydrophobicContact CG2-CG1 4.18Å; I98-V102 PolarHBondContact O-N 3.05Å; K99-V102 WeakPolarHBondContact O-CG2 3.43Å; K99-V102 PolarHBondContact O-N 3.34Å; V102-N104 VanDerWaalsContact C-N 3.28Å; V102-S108 WeakPolarHBondContact O-CB 3.28Å; V102-L117 HydrophobicContact CG1-CD1 3.46Å; V102-L117 VanDerWaalsContact CG1-CD1 3.46Å; V102-M119 HydrophobicContact CG1-CE 4.14Å
103T89.7Confident91.7Very high90 Ų9046.9 Ų46.955%0.55225%0.253SS*.THydrogen-bonded Turntrans-77.2-13.8173.853.70000113.3K99 R100K99-T103 VanDerWaalsContact O-CG2 3.26Å; K99-T103 WeakPolarHBondContact O-CG2 3.47Å; K99-T103 PolarHBondContact O-N 2.89Å; K99-T103 VanDerWaalsContact O-N 3.1Å; K99-T103 PolarHBondContact O-OG1 2.88Å; R100-T103 PolarHBondContact O-OG1 3.07Å
104N89.6Confident91.7Very high37 Ų3749.4 Ų49.420%0.19826%0.255CS..SBendtrans-96.3116.8175.1-175.6-54.1000110.2I101 V102 Q106 L107 S108I101-N104 PolarHBondContact O-N 3.13Å; V102-N104 VanDerWaalsContact C-N 3.28Å; N104-Q106 VanDerWaalsContact C-N 3.29Å; N104-Q106 PolarHBondContact O-N 3.12Å; N104-Q106 WeakPolarHBondContact OD1-CB 3.4Å; N104-Q106 PolarHBondContact OD1-N 2.68Å; N104-L107 HydrophobicContact CB-CB 4.16Å; N104-L107 HydrophobicContact CB-CD1 4.03Å; N104-L107 HydrophobicContact CB-CG 4.16Å; N104-L107 PolarHBondContact O-N 3.32Å; N104-L107 VanDerWaalsContact O-N 3.14Å; N104-L107 PolarHBondContact OD1-N 3.38Å; N104-S108 WeakPolarHBondContact O-CB 3.48Å; N104-S108 PolarHBondContact O-N 3.19Å; N104-S108 PolarHBondContact O-OG 3.32Å
105P87.6Confident91.4Very high75 Ų7553 Ų5349%0.48728%0.28SS..Hα-helixtrans-58.5-33.9-176-24.232.2000115.1F13 S108 S109F13-P105 HydrophobicContact CE1-CB 4.46Å; F13-P105 HydrophobicContact CE1-CG 3.96Å; P105-S108 WeakPolarHBondContact CA-OG 3.48Å; P105-S108 PolarHBondContact O-OG 3.22Å; P105-S109 WeakPolarHBondContact O-CB 3.45Å; P105-S109 PolarHBondContact O-N 3.28Å; P105-S109 PolarHBondContact O-OG 3.41Å
106Q89.2Confident91.3Very high118 Ų11851.4 Ų51.455%0.55127%0.272SS*.Hα-helixtrans-73.4-36.2179.6-67.7-175.5-1600111.7N104 S109N104-Q106 VanDerWaalsContact C-N 3.29Å; N104-Q106 PolarHBondContact O-N 3.12Å; N104-Q106 WeakPolarHBondContact OD1-CB 3.4Å; N104-Q106 PolarHBondContact OD1-N 2.68Å; Q106-S109 PolarHBondContact O-OG 3.44Å
107L91.2Very high91.1Very high1 Ų146.4 Ų46.41%0.00525%0.249CC..Hα-helixtrans-80.3-38.2178.3-60.5177000111.3L61 F65 L70 I101 N104 S109 H110 V113L61-L107 HydrophobicContact CD2-CD2 4.15Å; F65-L107 HydrophobicContact CB-CD2 4.32Å; F65-L107 HydrophobicContact CD1-CD2 4.3Å; F65-L107 HydrophobicContact CD2-CD2 3.44Å; F65-L107 VanDerWaalsContact CD2-CD2 3.44Å; F65-L107 HydrophobicContact CE2-CD2 3.73Å; F65-L107 HydrophobicContact CG-CD2 3.76Å; F65-L107 HydrophobicContact CZ-CD2 4.26Å; L70-L107 HydrophobicContact CD1-CD1 4.25Å; L70-L107 HydrophobicContact CD2-CD1 4.22Å; I101-L107 HydrophobicContact CG1-CD1 4.34Å; I101-L107 HydrophobicContact CG2-CB 4.08Å; I101-L107 WeakPolarHBondContact O-CB 3.3Å; N104-L107 HydrophobicContact CB-CB 4.16Å; N104-L107 HydrophobicContact CB-CD1 4.03Å; N104-L107 HydrophobicContact CB-CG 4.16Å; N104-L107 PolarHBondContact O-N 3.32Å; N104-L107 VanDerWaalsContact O-N 3.14Å; N104-L107 PolarHBondContact OD1-N 3.38Å; L107-S109 VanDerWaalsContact C-N 3.27Å; L107-S109 PolarHBondContact O-N 3.12Å; L107-H110 WeakPolarHBondContact O-CB 3.2Å; L107-H110 PolarHBondContact O-N 3.47Å; L107-H110 VanDerWaalsContact O-N 3.08Å; L107-V113 VanDerWaalsContact O-CB 3.26Å; L107-V113 WeakPolarHBondContact O-CB 3.45Å; L107-V113 VanDerWaalsContact O-CG2 3.24Å; L107-V113 WeakPolarHBondContact O-CG2 3.1Å
108S90.8Very high90.7Very high13 Ų1348.5 Ų48.59%0.09126%0.26CS..Hα-helixtrans-66.3-29.1179.871.40000113.2I101 V102 N104 P105 R114I101-S108 PolarHBondContact O-N 3.01Å; V102-S108 WeakPolarHBondContact O-CB 3.28Å; N104-S108 WeakPolarHBondContact O-CB 3.48Å; N104-S108 PolarHBondContact O-N 3.19Å; N104-S108 PolarHBondContact O-OG 3.32Å; P105-S108 WeakPolarHBondContact CA-OG 3.48Å; P105-S108 PolarHBondContact O-OG 3.22Å; S108-R114 WeakPolarHBondContact O-CG 3.37Å
109S88.9Confident90.1Very high70 Ų7049.6 Ų49.649%0.4927%0.266SS..THydrogen-bonded Turntrans-85.2-6.6173.556.10000113.8P105 Q106 L107 R114P105-S109 WeakPolarHBondContact O-CB 3.45Å; P105-S109 PolarHBondContact O-N 3.28Å; P105-S109 PolarHBondContact O-OG 3.41Å; Q106-S109 PolarHBondContact O-OG 3.44Å; L107-S109 VanDerWaalsContact C-N 3.27Å; L107-S109 PolarHBondContact O-N 3.12Å; S109-R114 WeakPolarHBondContact O-CD 3.47Å
110H93Very high89.3Confident18 Ų1849.8 Ų49.88%0.08327%0.271CS..SBendtrans-67.3134.2-177.7-169.8-83.2000112L61 Q64 F65 L107 D112 V113 R114L61-H110 HydrophobicContact CD2-CB 4.47Å; Q64-H110 PolarHBondContact OE1-NE2 2.83Å; F65-H110 AromaticContact CE2-CD2 3.68Å; L107-H110 WeakPolarHBondContact O-CB 3.2Å; L107-H110 PolarHBondContact O-N 3.47Å; L107-H110 VanDerWaalsContact O-N 3.08Å; H110-D112 IonicContact CE1-OD2 3.83Å; H110-D112 PolarHBondContact CE1-OD2 2.85Å; H110-D112 PolarHBondContact ND1-N 2.96Å; H110-D112 IonicContact ND1-OD2 3.59Å; H110-D112 PolarHBondContact O-N 2.93Å; H110-V113 HydrophobicContact CB-CB 4.29Å; H110-V113 HydrophobicContact CB-CG2 4.1Å; H110-V113 WeakPolarHBondContact O-CB 3.21Å; H110-V113 PolarHBondContact O-N 2.84Å; H110-R114 WeakPolarHBondContact O-CG 3.38Å; H110-R114 PolarHBondContact O-N 3.1Å
111P89.7Confident88Confident93 Ų9353.5 Ų53.560%0.60429%0.285SS*.Hα-helixtrans-54.4-43.9-175.3-28.234.7000114.6V113 R114 S115P111-V113 VanDerWaalsContact C-N 3.29Å; P111-V113 PolarHBondContact O-N 2.86Å; P111-R114 PolarHBondContact O-N 3.24Å; P111-S115 VanDerWaalsContact O-CB 3.25Å; P111-S115 WeakPolarHBondContact O-CB 3.39Å; P111-S115 PolarHBondContact O-N 2.98Å
112D91Very high85.6Confident72 Ų7262.2 Ų62.239%0.38532%0.323SS..Hα-helixtrans-65.1-31.2177.3-71.4-67.4000113.1L57 T60 H110 F116L57-D112 HydrophobicContact CD1-CB 3.82Å; T60-D112 WeakPolarHBondContact CG2-OD2 3.23Å; H110-D112 IonicContact CE1-OD2 3.83Å; H110-D112 PolarHBondContact CE1-OD2 2.85Å; H110-D112 PolarHBondContact ND1-N 2.96Å; H110-D112 IonicContact ND1-OD2 3.59Å; H110-D112 PolarHBondContact O-N 2.93Å; D112-F116 WeakPolarHBondContact O-CB 3.26Å; D112-F116 PolarHBondContact O-N 3.4Å
113V92.2Very high83.2Confident0 Ų068 Ų680%035%0.349CS..Hα-helixtrans-73.8-46.2177171.80000109.7L57 L61 I101 L107 H110 P111 S115 F116 L117L57-V113 HydrophobicContact CD1-CG2 4.05Å; L61-V113 HydrophobicContact CD1-CG2 3.79Å; L61-V113 HydrophobicContact CD2-CG2 4.07Å; L61-V113 HydrophobicContact CG-CG2 4.45Å; I101-V113 HydrophobicContact CG2-CB 4.11Å; I101-V113 HydrophobicContact CG2-CG1 3.41Å; I101-V113 VanDerWaalsContact CG2-CG1 3.41Å; I101-V113 HydrophobicContact CG2-CG2 3.51Å; L107-V113 VanDerWaalsContact O-CB 3.26Å; L107-V113 WeakPolarHBondContact O-CB 3.45Å; L107-V113 VanDerWaalsContact O-CG2 3.24Å; L107-V113 WeakPolarHBondContact O-CG2 3.1Å; H110-V113 HydrophobicContact CB-CB 4.29Å; H110-V113 HydrophobicContact CB-CG2 4.1Å; H110-V113 WeakPolarHBondContact O-CB 3.21Å; H110-V113 PolarHBondContact O-N 2.84Å; P111-V113 VanDerWaalsContact C-N 3.29Å; P111-V113 PolarHBondContact O-N 2.86Å; V113-S115 VanDerWaalsContact C-N 3.32Å; V113-S115 PolarHBondContact O-N 2.71Å; V113-F116 PolarHBondContact O-N 3.02Å; V113-L117 HydrophobicContact CG1-CD1 3.95Å; V113-L117 WeakPolarHBondContact O-CB 3.47Å; V113-L117 WeakPolarHBondContact O-CG 3.47Å; V113-L117 PolarHBondContact O-N 2.88Å
114R91.3Very high80.4Confident77 Ų7771.5 Ų71.529%0.29136%0.36SS..Hα-helixtrans-61.8-40.4176.7-61.618068.476.5-1.7111.7S108 S109 H110 P111 L117 L118 M119 D120S108-R114 WeakPolarHBondContact O-CG 3.37Å; S109-R114 WeakPolarHBondContact O-CD 3.47Å; H110-R114 WeakPolarHBondContact O-CG 3.38Å; H110-R114 PolarHBondContact O-N 3.1Å; P111-R114 PolarHBondContact O-N 3.24Å; R114-L117 CarbonylContact O-C 3.27Å; R114-L118 CarbonylContact O-C 3.59Å; R114-L118 WeakPolarHBondContact O-CA 3.27Å; R114-L118 PolarHBondContact O-N 2.9Å; R114-M119 HydrophobicContact CB-CB 4.07Å; R114-M119 HydrophobicContact CB-SD 4.49Å; R114-M119 HydrophobicContact CG-CB 4.39Å; R114-M119 HydrophobicContact CG-SD 4.17Å; R114-M119 PolarHBondContact O-N 2.79Å; R114-D120 WeakPolarHBondContact CB-OD2 3.38Å; R114-D120 IonicContact CZ-OD1 3.3Å; R114-D120 IonicContact CZ-OD2 3.75Å; R114-D120 VanDerWaalsContact NE-CG 3.28Å; R114-D120 IonicContact NE-OD1 2.66Å; R114-D120 PolarHBondContact NE-OD1 2.67Å; R114-D120 IonicContact NE-OD2 2.68Å; R114-D120 PolarHBondContact NE-OD2 2.79Å; R114-D120 IonicContact NH2-OD1 3.37Å; R114-D120 PolarHBondContact NH2-OD1 3.44Å
115S88.8Confident77.9Confident76 Ų7676.3 Ų76.353%0.53139%0.385SS..Hα-helixtrans-67.5-46.4173.5-176.50000112.2P111 V113 L117 L118P111-S115 VanDerWaalsContact O-CB 3.25Å; P111-S115 WeakPolarHBondContact O-CB 3.39Å; P111-S115 PolarHBondContact O-N 2.98Å; V113-S115 VanDerWaalsContact C-N 3.32Å; V113-S115 PolarHBondContact O-N 2.71Å; S115-L117 PolarHBondContact O-N 3.4Å; S115-L118 PolarHBondContact O-N 3.46Å; S115-L118 VanDerWaalsContact O-N 3.08Å
116F91.1Very high75.1Confident18 Ų1876.8 Ų76.88%0.07939%0.39CS..Hα-helixtrans-59.4-36.5178.1-179.3-89.1000112.1R49 E53 F54 L57 I98 D112 V113R49-F116 HydrophobicContact CB-CE2 4.34Å; R49-F116 HydrophobicContact CB-CZ 3.95Å; R49-F116 HydrophobicContact CG-CE1 4Å; R49-F116 HydrophobicContact CG-CE2 3.85Å; R49-F116 HydrophobicContact CG-CZ 3.53Å; R49-F116 VanDerWaalsContact CZ-O 3.27Å; R49-F116 PolarHBondContact NE-O 3.24Å; R49-F116 PolarHBondContact NH2-O 3.18Å; E53-F116 HydrophobicContact CB-CE2 3.97Å; F54-F116 HydrophobicContact CD1-CE1 4.5Å; F54-F116 AromaticContact CD1-CZ 3.89Å; F54-F116 HydrophobicContact CD1-CZ 3.89Å; F54-F116 HydrophobicContact CD2-CZ 4.1Å; F54-F116 HydrophobicContact CE1-CE1 4.43Å; F54-F116 HydrophobicContact CE1-CZ 4.07Å; F54-F116 HydrophobicContact CE2-CZ 4.19Å; F54-F116 AromaticContact CG-CZ 3.94Å; F54-F116 HydrophobicContact CG-CZ 3.94Å; F54-F116 HydrophobicContact CZ-CZ 4.17Å; L57-F116 HydrophobicContact CB-CD2 4.25Å; L57-F116 HydrophobicContact CB-CE2 4.47Å; L57-F116 HydrophobicContact CD2-CB 3.99Å; L57-F116 HydrophobicContact CD2-CD1 3.76Å; L57-F116 HydrophobicContact CD2-CD2 3.94Å; L57-F116 HydrophobicContact CD2-CE1 4.18Å; L57-F116 HydrophobicContact CD2-CE2 4.32Å; L57-F116 HydrophobicContact CD2-CG 3.64Å; L57-F116 HydrophobicContact CD2-CZ 4.44Å; I98-F116 HydrophobicContact CD1-CE1 3.87Å; I98-F116 HydrophobicContact CG1-CE1 4.49Å; D112-F116 WeakPolarHBondContact O-CB 3.26Å; D112-F116 PolarHBondContact O-N 3.4Å; V113-F116 PolarHBondContact O-N 3.02Å
117L90.1Very high72.3Confident1 Ų176.5 Ų76.51%0.00539%0.392CS..THydrogen-bonded Turntrans-962.2178.3-62176.1000113.4V16 V36 V38 W45 I98 V102 V113 R114 S115 M119V16-L117 HydrophobicContact CG1-CD1 4.35Å; V36-L117 HydrophobicContact CG1-CD2 3.98Å; V38-L117 HydrophobicContact CG1-CB 4.44Å; V38-L117 HydrophobicContact CG2-CB 4.16Å; V38-L117 HydrophobicContact CG2-CD2 3.82Å; V38-L117 HydrophobicContact CG2-CG 4.49Å; W45-L117 VanDerWaalsContact CE2-O 3.29Å; W45-L117 WeakPolarHBondContact CZ2-O 3.46Å; W45-L117 PolarHBondContact NE1-O 3.34Å; I98-L117 HydrophobicContact CD1-CD2 4.45Å; I98-L117 HydrophobicContact CG2-CD1 4.17Å; I98-L117 HydrophobicContact CG2-CD2 3.99Å; V102-L117 HydrophobicContact CG1-CD1 3.46Å; V102-L117 VanDerWaalsContact CG1-CD1 3.46Å; V113-L117 HydrophobicContact CG1-CD1 3.95Å; V113-L117 WeakPolarHBondContact O-CB 3.47Å; V113-L117 WeakPolarHBondContact O-CG 3.47Å; V113-L117 PolarHBondContact O-N 2.88Å; R114-L117 CarbonylContact O-C 3.27Å; S115-L117 PolarHBondContact O-N 3.4Å; L117-M119 VanDerWaalsContact C-N 3.27Å; L117-M119 HydrophobicContact CB-CE 3.85Å; L117-M119 HydrophobicContact CB-CG 3.91Å; L117-M119 HydrophobicContact CB-SD 4.26Å; L117-M119 HydrophobicContact CD1-CE 3.32Å; L117-M119 HydrophobicContact CD1-SD 4.33Å; L117-M119 HydrophobicContact CG-CE 4.2Å; L117-M119 PolarHBondContact O-N 3.14Å
118L85.8Confident69.6Low49 Ų4978.7 Ų78.726%0.25741%0.411SS..THydrogen-bonded Turntrans55.133.2-177.2-57.9175.9000115.2V47 R114 S115 D120V47-L118 HydrophobicContact CB-CD1 4.31Å; V47-L118 HydrophobicContact CG2-CD1 3.83Å; V47-L118 HydrophobicContact CG2-CG 4.29Å; R114-L118 CarbonylContact O-C 3.59Å; R114-L118 WeakPolarHBondContact O-CA 3.27Å; R114-L118 PolarHBondContact O-N 2.9Å; S115-L118 PolarHBondContact O-N 3.46Å; S115-L118 VanDerWaalsContact O-N 3.08Å; L118-D120 VanDerWaalsContact C-N 3.3Å; L118-D120 PolarHBondContact O-N 3.19Å
119M81.6Confident67.1Low25 Ų2581.5 Ų81.512%0.12343%0.43CS..THydrogen-bonded Turntrans-69.5-19.5-177.1-67.2174.8167.200115P14 V38 V40 W45 V102 R114 L117P14-M119 HydrophobicContact CB-CE 3.47Å; P14-M119 VanDerWaalsContact CB-CE 3.47Å; P14-M119 HydrophobicContact CG-CE 3.53Å; P14-M119 HydrophobicContact CG-SD 4.31Å; V38-M119 HydrophobicContact CG1-CE 4.02Å; V40-M119 HydrophobicContact CG2-CE 4.49Å; W45-M119 HydrophobicContact CH2-CG 4.27Å; W45-M119 HydrophobicContact CZ2-CB 4.43Å; W45-M119 HydrophobicContact CZ2-CG 3.92Å; V102-M119 HydrophobicContact CG1-CE 4.14Å; R114-M119 HydrophobicContact CB-CB 4.07Å; R114-M119 HydrophobicContact CB-SD 4.49Å; R114-M119 HydrophobicContact CG-CB 4.39Å; R114-M119 HydrophobicContact CG-SD 4.17Å; R114-M119 PolarHBondContact O-N 2.79Å; L117-M119 VanDerWaalsContact C-N 3.27Å; L117-M119 HydrophobicContact CB-CE 3.85Å; L117-M119 HydrophobicContact CB-CG 3.91Å; L117-M119 HydrophobicContact CB-SD 4.26Å; L117-M119 HydrophobicContact CD1-CE 3.32Å; L117-M119 HydrophobicContact CD1-SD 4.33Å; L117-M119 HydrophobicContact CG-CE 4.2Å; L117-M119 PolarHBondContact O-N 3.14Å
120D76.9Confident64.5Low97 Ų9785.8 Ų85.852%0.51944%0.442SS..THydrogen-bonded Turntrans-96.20.6-176-72.2-48.3000114.2R114 L118 K122R114-D120 WeakPolarHBondContact CB-OD2 3.38Å; R114-D120 IonicContact CZ-OD1 3.3Å; R114-D120 IonicContact CZ-OD2 3.75Å; R114-D120 VanDerWaalsContact NE-CG 3.28Å; R114-D120 IonicContact NE-OD1 2.66Å; R114-D120 PolarHBondContact NE-OD1 2.67Å; R114-D120 IonicContact NE-OD2 2.68Å; R114-D120 PolarHBondContact NE-OD2 2.79Å; R114-D120 IonicContact NH2-OD1 3.37Å; R114-D120 PolarHBondContact NH2-OD1 3.44Å; L118-D120 VanDerWaalsContact C-N 3.3Å; L118-D120 PolarHBondContact O-N 3.19Å; D120-K122 PolarHBondContact O-N 3.03Å
121R64.9Low61.9Low190 Ų19087.2 Ų87.272%0.71745%0.451SS*.  trans-77.690.8175.9-74.4-165.3-176.4-1712.1110.3
122K42.5Very low59.6Low185 Ų18588 Ų8880%0.80445%0.446SS*.  trans-71.3128.2165.7-88-173.5178-173.90111.2D120D120-K122 PolarHBondContact O-N 3.03Å
123H40.4Very low57.2Low122 Ų12288.3 Ų88.357%0.56545%0.448SS*.SBendtrans5467.5153.4-63.5-84.5000120.6D127H123-D127 IonicContact CE1-OD2 2.72Å; H123-D127 IonicContact ND1-OD2 3.9Å; H123-D127 PolarHBondContact ND1-OD2 2.75Å; H123-D127 VanDerWaalsContact ND1-OD2 3.08Å
124Q32.7Very low54.9Low164 Ų16492.8 Ų92.877%0.76647%0.472SS*.SBendtrans-143.44.2155-78.3-163.1-12.900116.4
125L36Very low52.4Low138 Ų13895.9 Ų95.972%0.72349%0.487SS*.SBendtrans-130.16.4-179.3-70.4166.7000114.3
126S30Very low49.8Very low85 Ų85100.3 Ų100.359%0.59451%0.505SS*.SBendtrans-14622.5-179.471.30000114.7
127D29Very low47Very low112 Ų112103.4 Ų103.460%0.59953%0.529SS*.  trans-107.678.3168.1-113.7-34.3000108.7H123H123-D127 IonicContact CE1-OD2 2.72Å; H123-D127 IonicContact ND1-OD2 3.9Å; H123-D127 PolarHBondContact ND1-OD2 2.75Å; H123-D127 VanDerWaalsContact ND1-OD2 3.08Å
128A35.4Very low44.3Very low48 Ų48108.8 Ų108.840%0.39757%0.567SS.*  trans-12066.7169.700000107.4
129S37.5Very low41.7Very low71 Ų71110.3 Ų110.350%0.49758%0.578SS.*  trans-16033168.977.70000115.2
130E35.3Very low39.4Very low161 Ų161115.4 Ų115.475%0.75262%0.616SS**  trans-121.990.2156.6-68.3-168.4178.400107.6E132E130-E132 PolarHBondContact O-N 3.21Å
131D38.3Very low37.3Very low48 Ų48120 Ų12026%0.25763%0.627SS.*  trans-60.589.8160.6-74.7-49.2000107.4D133D131-D133 PolarHBondContact O-N 3.26Å
132E40.9Very low35.9Very low110 Ų110118.6 Ų118.651%0.51463%0.633SS.*G310 helixtrans-67.3-20.8170.1-80.5-92.6131.400111.2E130 D134 K135E130-E132 PolarHBondContact O-N 3.21Å; E132-D134 VanDerWaalsContact C-N 3.26Å; E132-D134 PolarHBondContact O-N 3.4Å; E132-K135 PolarHBondContact O-N 3.27Å; E132-K135 IonicContact OE1-NZ 3.72Å; E132-K135 PolarHBondContact OE1-NZ 2.91Å
133D40.9Very low35.5Very low77 Ų77116.1 Ų116.141%0.41263%0.627SS.*G310 helixtrans-70.4-15.7-178.4-68.7-27.5000113.9D131 S315D131-D133 PolarHBondContact O-N 3.26Å; D133-S315 PolarHBondContact OD1-OG 3.35Å; D133-S315 WeakPolarHBondContact OD2-CB 3.45Å; D133-S315 PolarHBondContact OD2-N 3.32Å; D133-S315 PolarHBondContact OD2-OG 2.93Å
134D43.2Very low35.3Very low95 Ų95116.6 Ų116.651%0.50863%0.634SS.*G310 helixtrans-91.3-2.9179.9-95.7-15.8000113.9E132 N136 S137E132-D134 VanDerWaalsContact C-N 3.26Å; E132-D134 PolarHBondContact O-N 3.4Å; D134-N136 VanDerWaalsContact C-N 3.25Å; D134-N136 PolarHBondContact O-N 3.04Å; D134-S137 PolarHBondContact O-N 2.82Å
135K39.3Very low35.7Very low142 Ų142111.8 Ų111.862%0.61761%0.613SS**THydrogen-bonded Turntrans-69.6-15.1-176.2-84-179.2179.9166.10114.8E132E132-K135 PolarHBondContact O-N 3.27Å; E132-K135 IonicContact OE1-NZ 3.72Å; E132-K135 PolarHBondContact OE1-NZ 2.91Å
136N33.5Very low35.8Very low168 Ų168106.9 Ų106.990%0.89860%0.596SS**THydrogen-bonded Turntrans-105.74.9179.9-94.1-0000115.5D134D134-N136 VanDerWaalsContact C-N 3.25Å; D134-N136 PolarHBondContact O-N 3.04Å
137S33.2Very low36.3Very low84 Ų84109.5 Ų109.559%0.58761%0.611SS**  trans-11272.4168-171.50000109.7D134 T139D134-S137 PolarHBondContact O-N 2.82Å; S137-T139 PolarHBondContact O-N 2.86Å
138S32.8Very low37Very low114 Ų114106 Ų10680%0.79760%0.595SS**  trans-70.773.317261.30000110.8
139T30.7Very low37.1Very low80 Ų80105 Ų10549%0.49159%0.59SS.*  trans-138.799.6143.856.50000108.7S137 R141S137-T139 PolarHBondContact O-N 2.86Å; T139-R141 PolarHBondContact O-N 3.17Å
140S34.5Very low37.5Very low133 Ų133105.9 Ų105.993%0.9359%0.589SS**  trans-6075.9158.5-50.50000109
141R33.1Very low38.4Very low194 Ų194104.3 Ų104.373%0.73259%0.593SS**  trans-85111162.5-64.9-173.8-147.41696.6105.1T139 I143T139-R141 PolarHBondContact O-N 3.17Å; R141-I143 VanDerWaalsContact C-N 3.35Å; R141-I143 PolarHBondContact O-N 2.96Å
142N34.9Very low39.5Very low159 Ų159108.2 Ų108.285%0.8561%0.61SS**  trans-42.1109.4153.4-80.3-27.9000106.7N144N142-N144 PolarHBondContact O-N 3.19Å
143I32.8Very low41Very low134 Ų134104.1 Ų104.169%0.68759%0.594SS**  trans-70.790.2178.7-53.7179.9000105.2R141 L145R141-I143 VanDerWaalsContact C-N 3.35Å; R141-I143 PolarHBondContact O-N 2.96Å; I143-L145 HydrophobicContact CG2-CD2 3.41Å; I143-L145 VanDerWaalsContact CG2-CD2 3.41Å; I143-L145 HydrophobicContact CG2-CG 3.78Å; I143-L145 PolarHBondContact O-N 2.95Å; I143-L145 VanDerWaalsContact O-N 3.12Å
144N37.5Very low43Very low132 Ų132105.6 Ų105.671%0.70660%0.597SS**  trans-76.895.2171.9-171.7-12.5000107.2N142 G146N142-N144 PolarHBondContact O-N 3.19Å; N144-G146 PolarHBondContact O-N 3.03Å; N144-G146 VanDerWaalsContact O-N 3.08Å; N144-G146 PolarHBondContact OD1-N 3.39Å
145L40.1Very low45Very low62 Ų62101.6 Ų101.633%0.32558%0.576SS.*  trans-74.215.3-174.2-67.4168.1000114.1I143 M204I143-L145 HydrophobicContact CG2-CD2 3.41Å; I143-L145 VanDerWaalsContact CG2-CD2 3.41Å; I143-L145 HydrophobicContact CG2-CG 3.78Å; I143-L145 PolarHBondContact O-N 2.95Å; I143-L145 VanDerWaalsContact O-N 3.12Å; L145-M204 HydrophobicContact CD1-CE 3.73Å
146G38.1Very low47.3Very low35 Ų3598.4 Ų98.436%0.36157%0.568SS.*  trans69174-179.600000114N144 S148N144-G146 PolarHBondContact O-N 3.03Å; N144-G146 VanDerWaalsContact O-N 3.08Å; N144-G146 PolarHBondContact OD1-N 3.39Å; G146-S148 PolarHBondContact O-N 3.39Å; G146-S148 VanDerWaalsContact O-N 3.07Å
147P42.2Very low49.9Very low141 Ų14192.9 Ų92.992%0.91654%0.539SS*.SBendtrans-76.894.7176.730.5-29.6000109
148S41.8Very low52.7Low38 Ų3889.1 Ų89.127%0.26651%0.512SS..  trans-96.4116.4177.631.60000111.9G146 R207 G480 S482G146-S148 PolarHBondContact O-N 3.39Å; G146-S148 VanDerWaalsContact O-N 3.07Å; S148-R207 PolarHBondContact OG-NH2 2.92Å; S148-G480 PolarHBondContact OG-O 2.79Å; S148-S482 CarbonylContact C-O 3.55Å; S148-S482 VanDerWaalsContact CB-O 3.25Å; S148-S482 WeakPolarHBondContact CB-O 3.48Å; S148-S482 CarbonylContact O-C 3.53Å; S148-S482 PolarHBondContact OG-O 2.56Å
149G39.1Very low55.5Low28 Ų2886.4 Ų86.429%0.28949%0.489SS..SBendtrans69.1119.8145.500000119.9
150N45.5Very low58.5Low88 Ų8883.7 Ų83.747%0.47147%0.47SS..  trans-7.2112.1179.4-165.1-3.3000117.1Q152 A484N150-Q152 PolarHBondContact O-N 3.23Å; N150-Q152 WeakPolarHBondContact OD1-CB 3.5Å; N150-Q152 WeakPolarHBondContact OD1-CG 3.45Å; N150-Q152 PolarHBondContact OD1-N 3.08Å; N150-A484 HydrophobicContact CB-CB 3.99Å
151P54.6Low61.3Low128 Ų12880.8 Ų80.883%0.83144%0.444SS*.THydrogen-bonded Turntrans-64.70.8175.127.9-34.7000114.3
152Q59.8Low64.1Low131 Ų13175.4 Ų75.461%0.61243%0.426SS*.THydrogen-bonded Turntrans-89.1-12.4-175.7-64.5-167.25.600115.8N150 K154N150-Q152 PolarHBondContact O-N 3.23Å; N150-Q152 WeakPolarHBondContact OD1-CB 3.5Å; N150-Q152 WeakPolarHBondContact OD1-CG 3.45Å; N150-Q152 PolarHBondContact OD1-N 3.08Å; Q152-K154 WeakPolarHBondContact O-CE 3.2Å; Q152-K154 WeakPolarHBondContact O-CG 3.36Å; Q152-K154 PolarHBondContact O-N 2.89Å
153A73.3Confident66.8Low23 Ų2367.9 Ų67.919%0.1939%0.385CS..  trans-69.2120.7175.800000110.1D157 F226A153-D157 WeakPolarHBondContact CA-OD2 3.47Å; A153-F226 HydrophobicContact CB-CB 4.34Å; A153-F226 HydrophobicContact CB-CD1 3.94Å; A153-F226 HydrophobicContact CB-CG 4.23Å
154K83.3Confident69.5Low109 Ų10962.1 Ų62.147%0.47436%0.356SS..  trans-131.2158-175.7-23.9-174.1-177.41750110.3Q152 T156 D157Q152-K154 WeakPolarHBondContact O-CE 3.2Å; Q152-K154 WeakPolarHBondContact O-CG 3.36Å; Q152-K154 PolarHBondContact O-N 2.89Å; K154-T156 PolarHBondContact O-N 2.84Å; K154-T156 VanDerWaalsContact O-N 3.11Å; K154-D157 PolarHBondContact N-OD2 2.84Å; K154-D157 WeakPolarHBondContact O-CB 3.39Å; K154-D157 PolarHBondContact O-N 2.91Å
155P85.3Confident71.9Confident11 Ų1156.4 Ų56.47%0.07133%0.328CS..G310 helixtrans-52.9-35.1172-23.632.5000112.8D157 F158 F160 F226 T228 Y233P155-D157 PolarHBondContact O-N 2.8Å; P155-D157 VanDerWaalsContact O-N 3.15Å; P155-F158 PolarHBondContact O-N 3.19Å; P155-F158 VanDerWaalsContact O-N 3.1Å; P155-F160 HydrophobicContact CB-CE2 4.34Å; P155-F160 WeakPolarHBondContact O-CE2 3.35Å; P155-F226 HydrophobicContact CG-CE2 3.94Å; P155-T228 HydrophobicContact CG-CG2 3.82Å; P155-Y233 HydrophobicContact CB-CE1 4.29Å; P155-Y233 HydrophobicContact CG-CE1 4.06Å; P155-Y233 HydrophobicContact CG-CE2 4.08Å
156T87.9Confident73.9Confident74 Ų7460.3 Ų60.345%0.45434%0.342SS..G310 helixtrans-66.8-11.7-179.1540000114.8K154 F158K154-T156 PolarHBondContact O-N 2.84Å; K154-T156 VanDerWaalsContact O-N 3.11Å; T156-F158 PolarHBondContact O-N 2.84Å
157D87.3Confident75.5Confident53 Ų5360.8 Ų60.828%0.28335%0.347SS..G310 helixtrans-77.6-8.9175.1-55.9-26.5000111.9A153 K154 P155 R178A153-D157 WeakPolarHBondContact CA-OD2 3.47Å; K154-D157 PolarHBondContact N-OD2 2.84Å; K154-D157 WeakPolarHBondContact O-CB 3.39Å; K154-D157 PolarHBondContact O-N 2.91Å; P155-D157 PolarHBondContact O-N 2.8Å; P155-D157 VanDerWaalsContact O-N 3.15Å; D157-R178 PolarHBondContact O-N 3.33Å
158F91.1Very high76.9Confident5 Ų558.2 Ų58.22%0.02233%0.333CS..EExtended strand (participates in β ladder)trans-123.1134.7-175.4-58.3-92.5000111.4P155 T156 F160 A175 K176 R177 Y184 Y224 F226 V235P155-F158 PolarHBondContact O-N 3.19Å; P155-F158 VanDerWaalsContact O-N 3.1Å; T156-F158 PolarHBondContact O-N 2.84Å; F158-F160 HydrophobicContact CB-CD2 4.47Å; F158-F160 HydrophobicContact CB-CE2 4.02Å; F158-F160 HydrophobicContact CB-CZ 4.28Å; F158-A175 HydrophobicContact CB-CB 4.11Å; F158-A175 HydrophobicContact CD1-CB 4.5Å; F158-K176 CarbonylContact C-O 3.56Å; F158-K176 WeakPolarHBondContact CA-O 3.4Å; F158-R177 HydrophobicContact CD1-CB 3.82Å; F158-R177 HydrophobicContact CD1-CG 4.28Å; F158-R177 HydrophobicContact CE1-CB 3.76Å; F158-R177 HydrophobicContact CE1-CG 3.97Å; F158-R177 HydrophobicContact CZ-CG 4.43Å; F158-Y184 HydrophobicContact CD1-CD2 4.47Å; F158-Y184 HydrophobicContact CE1-CD2 4.07Å; F158-Y184 HydrophobicContact CE1-CE2 4.49Å; F158-Y224 HydrophobicContact CZ-CD2 4.09Å; F158-Y224 HydrophobicContact CZ-CE2 4.46Å; F158-F226 HydrophobicContact CD2-CZ 4.41Å; F158-F226 AromaticContact CE2-CE1 3.86Å; F158-F226 HydrophobicContact CE2-CE1 3.86Å; F158-F226 HydrophobicContact CE2-CZ 4.12Å; F158-V235 HydrophobicContact CE1-CG1 3.85Å; F158-V235 HydrophobicContact CE1-CG2 4.28Å; F158-V235 HydrophobicContact CE2-CG2 4.32Å; F158-V235 HydrophobicContact CZ-CG1 4.1Å; F158-V235 HydrophobicContact CZ-CG2 3.85Å
159D92.8Very high78.7Confident56 Ų5658.3 Ų58.330%0.29933%0.329SS..EExtended strand (participates in β ladder)trans-88106.4166-65.1-42.3000108.7L161 A175 K176 R178D159-L161 HydrophobicContact CB-CD2 4.14Å; D159-L161 WeakPolarHBondContact O-CG 3.45Å; D159-L161 PolarHBondContact O-N 3.32Å; D159-A175 CarbonylContact O-C 3.49Å; D159-A175 WeakPolarHBondContact O-CA 3.19Å; D159-K176 PolarHBondContact N-O 2.64Å; D159-K176 PolarHBondContact O-N 2.96Å; D159-R178 IonicContact OD1-CZ 4Å; D159-R178 IonicContact OD1-NE 2.77Å; D159-R178 PolarHBondContact OD1-NE 3.26Å; D159-R178 IonicContact OD1-NH2 3.7Å; D159-R178 PolarHBondContact OD1-NH2 3.28Å; D159-R178 WeakPolarHBondContact OD2-CG 3.17Å; D159-R178 IonicContact OD2-NE 3.67Å
160F93.7Very high81Confident23 Ų2357.6 Ų57.610%0.10132%0.321CS..EExtended strand (participates in β ladder)trans-77.6114.6177.3-66.5-93.1000110.2P155 F158 F173 A175 V186 V188 Y233 V454 I458P155-F160 HydrophobicContact CB-CE2 4.34Å; P155-F160 WeakPolarHBondContact O-CE2 3.35Å; F158-F160 HydrophobicContact CB-CD2 4.47Å; F158-F160 HydrophobicContact CB-CE2 4.02Å; F158-F160 HydrophobicContact CB-CZ 4.28Å; F160-F173 HydrophobicContact CD1-CB 3.72Å; F160-F173 HydrophobicContact CD1-CD1 4.5Å; F160-F173 HydrophobicContact CD1-CD2 4.41Å; F160-F173 AromaticContact CD1-CG 3.97Å; F160-F173 HydrophobicContact CD1-CG 3.97Å; F160-F173 HydrophobicContact CE1-CB 4.34Å; F160-A175 HydrophobicContact CD1-CB 4.01Å; F160-A175 HydrophobicContact CE1-CB 4.31Å; F160-A175 HydrophobicContact CG-CB 4.38Å; F160-V186 HydrophobicContact CE1-CB 3.95Å; F160-V186 HydrophobicContact CE1-CG1 3.84Å; F160-V186 HydrophobicContact CE1-CG2 4.32Å; F160-V186 HydrophobicContact CZ-CG1 4.3Å; F160-V188 HydrophobicContact CE1-CG2 4.36Å; F160-Y233 HydrophobicContact CZ-CE1 4.28Å; F160-V454 HydrophobicContact CB-CG1 3.75Å; F160-I458 HydrophobicContact CD1-CG2 3.68Å; F160-I458 HydrophobicContact CD2-CG2 3.61Å; F160-I458 HydrophobicContact CE1-CG2 3.52Å; F160-I458 HydrophobicContact CE2-CG2 3.46Å; F160-I458 VanDerWaalsContact CE2-CG2 3.46Å; F160-I458 HydrophobicContact CG-CG2 3.72Å; F160-I458 HydrophobicContact CZ-CG2 3.41Å; F160-I458 VanDerWaalsContact CZ-CG2 3.41Å
161L92.4Very high83.1Confident72 Ų7255.3 Ų55.338%0.37731%0.307SS..EExtended strand (participates in β ladder)trans-97.8-49.8-168.4-54.2-178.7000112.2D159 L174 K176 Y183 V454D159-L161 HydrophobicContact CB-CD2 4.14Å; D159-L161 WeakPolarHBondContact O-CG 3.45Å; D159-L161 PolarHBondContact O-N 3.32Å; L161-L174 HydrophobicContact CB-CG 4.36Å; L161-L174 HydrophobicContact CD1-CD2 4.43Å; L161-L174 HydrophobicContact CD1-CG 4.3Å; L161-L174 PolarHBondContact N-O 2.8Å; L161-K176 HydrophobicContact CD1-CB 4.17Å; L161-Y183 HydrophobicContact CD1-CD1 4.09Å; L161-Y183 HydrophobicContact CD1-CE1 3.63Å; L161-V454 WeakPolarHBondContact O-CG2 3.33Å
162K93.3Very high85Confident82 Ų8250.9 Ų50.936%0.35728%0.278SS..EExtended strand (participates in β ladder)trans-147.2147.5-172.5-73-64.5-164.5164.50112I164 F173 L174 I442 T450K162-I164 HydrophobicContact CB-CG2 4.39Å; K162-F173 CarbonylContact O-C 3.27Å; K162-F173 VanDerWaalsContact O-CA 3.22Å; K162-F173 WeakPolarHBondContact O-CA 3.39Å; K162-L174 HydrophobicContact CB-CB 4.34Å; K162-L174 PolarHBondContact N-O 2.83Å; K162-L174 PolarHBondContact O-N 3.11Å; K162-I442 HydrophobicContact CB-CD1 4.3Å; K162-I442 HydrophobicContact CD-CD1 4.36Å; K162-I442 HydrophobicContact CG-CD1 3.8Å; K162-T450 WeakPolarHBondContact CD-O 3.19Å; K162-T450 PolarHBondContact NZ-O 3.01Å
163V92Very high86.6Confident0 Ų044.9 Ų44.90%025%0.25CC..EExtended strand (participates in β ladder)trans-75.9127.6163-176.10000107.2K171 F173 F449 T450 E452V163-K171 HydrophobicContact CG1-CD 4.44Å; V163-F173 HydrophobicContact CG2-CD1 3.96Å; V163-F173 HydrophobicContact CG2-CE1 3.59Å; V163-F449 WeakPolarHBondContact CB-O 3.24Å; V163-F449 HydrophobicContact CG1-CB 4.37Å; V163-F449 CarbonylContact O-C 3.37Å; V163-F449 VanDerWaalsContact O-C 3.27Å; V163-T450 WeakPolarHBondContact O-CA 3.33Å; V163-T450 PolarHBondContact O-N 3.15Å; V163-E452 HydrophobicContact CB-CB 4.26Å; V163-E452 HydrophobicContact CG2-CB 4.16Å; V163-E452 HydrophobicContact CG2-CG 4.33Å
164I89.3Confident87.7Confident13 Ų1344 Ų447%0.06724%0.242CC..EExtended strand (participates in β ladder)trans-119.2-7-179.660.3173.5000112.6K162 V172 L174 A185 F238 I442 F445K162-I164 HydrophobicContact CB-CG2 4.39Å; I164-V172 HydrophobicContact CD1-CG1 3.99Å; I164-V172 HydrophobicContact CG1-CB 4.14Å; I164-V172 HydrophobicContact CG1-CG1 3.83Å; I164-V172 WeakPolarHBondContact CG1-O 3.38Å; I164-V172 PolarHBondContact N-O 2.81Å; I164-L174 HydrophobicContact CD1-CB 4.33Å; I164-L174 HydrophobicContact CG2-CB 3.77Å; I164-A185 HydrophobicContact CD1-CB 4.13Å; I164-F238 HydrophobicContact CD1-CD2 4.05Å; I164-F238 HydrophobicContact CD1-CE2 3.88Å; I164-I442 HydrophobicContact CG2-CG2 4.23Å; I164-F445 HydrophobicContact CB-CD1 3.72Å; I164-F445 HydrophobicContact CB-CE1 3.8Å; I164-F445 HydrophobicContact CB-CG 4.41Å; I164-F445 HydrophobicContact CD1-CE1 4.09Å; I164-F445 HydrophobicContact CD1-CZ 4.42Å; I164-F445 HydrophobicContact CG1-CE1 4.36Å; I164-F445 HydrophobicContact CG2-CD1 4.27Å; I164-F445 HydrophobicContact CG2-CE1 4.38Å; I164-F445 WeakPolarHBondContact O-CD1 3.41Å
165G86.8Confident88.3Confident12 Ų1238.8 Ų38.812%0.12422%0.219CC..EExtended strand (participates in β ladder)trans-171.2165.3174.500000112.8V172G165-V172 PolarHBondContact N-O 2.76Å; G165-V172 PolarHBondContact O-N 3.2Å
166K82.1Confident88.7Confident144 Ų14441.8 Ų41.863%0.62623%0.231SC*.EExtended strand (participates in β ladder)trans-137.9128.5178.5-173.9176.4178-177.50110K171 F449K166-K171 HydrophobicContact CG-CG 4.34Å; K166-F449 HydrophobicContact CB-CD1 4.46Å; K166-F449 HydrophobicContact CB-CE1 4.18Å
167G72.9Confident88.9Confident45 Ų4540.9 Ų40.946%0.46422%0.219SC..EExtended strand (participates in β ladder)trans-117.3179179.200000112.8F169 G170G167-F169 PolarHBondContact O-N 2.88Å; G167-G170 PolarHBondContact N-O 2.92Å; G167-G170 PolarHBondContact O-N 3.31Å; G167-G170 VanDerWaalsContact O-O 3.09Å
168S71.2Confident89Confident87 Ų8746.2 Ų46.261%0.60824%0.235SC*.THydrogen-bonded Turntrans-58.7-29.6-177.9-62.80000114.6R197S168-R197 PolarHBondContact O-NH1 3Å
169F79.1Confident88.7Confident41 Ų4153.1 Ų53.118%0.1827%0.267CS..THydrogen-bonded Turntrans-119.60.9-173-47.7-72.8000113.5G167 L189 Q190 V193 I194 R197 E199 I203G167-F169 PolarHBondContact O-N 2.88Å; F169-L189 HydrophobicContact CB-CD2 4.2Å; F169-L189 WeakPolarHBondContact O-CA 3.43Å; F169-Q190 PolarHBondContact O-N 3.09Å; F169-V193 HydrophobicContact CD1-CG1 4.14Å; F169-I194 HydrophobicContact CB-CG1 4.14Å; F169-I194 HydrophobicContact CD1-CG1 4.36Å; F169-I194 HydrophobicContact CG-CG1 4.33Å; F169-R197 HydrophobicContact CE1-CB 4.29Å; F169-E199 HydrophobicContact CE1-CB 4.02Å; F169-E199 HydrophobicContact CE1-CG 3.66Å; F169-E199 HydrophobicContact CZ-CB 3.97Å; F169-E199 HydrophobicContact CZ-CG 3.56Å; F169-I203 HydrophobicContact CD2-CD1 4.45Å
170G86.8Confident88.4Confident13 Ų1353.1 Ų53.113%0.13427%0.267CS..EExtended strand (participates in β ladder)trans176.5-164.2-165.400000115.3G167 V188G167-G170 PolarHBondContact N-O 2.92Å; G167-G170 PolarHBondContact O-N 3.31Å; G167-G170 VanDerWaalsContact O-O 3.09Å; G170-V188 CarbonylContact C-O 3.54Å; G170-V188 WeakPolarHBondContact CA-O 3.13Å
171K91.4Very high88.1Confident39 Ų3953.3 Ų53.317%0.1728%0.276CS..EExtended strand (participates in β ladder)trans-134.1156.2-178.7-68.7-176.3178.3-163.90110.4V163 K166 F173 V188 E452V163-K171 HydrophobicContact CG1-CD 4.44Å; K166-K171 HydrophobicContact CG-CG 4.34Å; K171-F173 HydrophobicContact CB-CD2 4.34Å; K171-F173 HydrophobicContact CB-CE2 3.48Å; K171-F173 VanDerWaalsContact CB-CE2 3.48Å; K171-F173 HydrophobicContact CB-CZ 3.56Å; K171-F173 HydrophobicContact CD-CE1 4.49Å; K171-F173 HydrophobicContact CD-CZ 3.84Å; K171-F173 HydrophobicContact CG-CZ 4.36Å; K171-V188 PolarHBondContact N-O 3.47Å; K171-V188 PolarHBondContact O-N 2.82Å; K171-E452 IonicContact NZ-OE1 3.28Å; K171-E452 PolarHBondContact NZ-OE1 3.23Å; K171-E452 IonicContact NZ-OE2 3.58Å; K171-E452 PolarHBondContact NZ-OE2 3.39Å
172V92.6Very high88.1Confident36 Ų3656 Ų5622%0.21828%0.284CS..EExtended strand (participates in β ladder)trans-111.2131.7174.4-1690000108.2I164 G165 A185 V186 K187I164-V172 HydrophobicContact CD1-CG1 3.99Å; I164-V172 HydrophobicContact CG1-CB 4.14Å; I164-V172 HydrophobicContact CG1-CG1 3.83Å; I164-V172 WeakPolarHBondContact CG1-O 3.38Å; I164-V172 PolarHBondContact N-O 2.81Å; G165-V172 PolarHBondContact N-O 2.76Å; G165-V172 PolarHBondContact O-N 3.2Å; V172-A185 HydrophobicContact CG1-CB 4.17Å; V172-V186 WeakPolarHBondContact CA-O 3.48Å; V172-K187 HydrophobicContact CG2-CB 4.26Å; V172-K187 HydrophobicContact CG2-CG 4.28Å
173F94.9Very high88.1Confident5 Ų555 Ų552%0.02228%0.279CS..EExtended strand (participates in β ladder)trans-120138.5-177.1-59.8-91.7000110.8F160 K162 V163 K171 A175 A185 V186 V188 V454 I458F160-F173 HydrophobicContact CD1-CB 3.72Å; F160-F173 HydrophobicContact CD1-CD1 4.5Å; F160-F173 HydrophobicContact CD1-CD2 4.41Å; F160-F173 AromaticContact CD1-CG 3.97Å; F160-F173 HydrophobicContact CD1-CG 3.97Å; F160-F173 HydrophobicContact CE1-CB 4.34Å; K162-F173 CarbonylContact O-C 3.27Å; K162-F173 VanDerWaalsContact O-CA 3.22Å; K162-F173 WeakPolarHBondContact O-CA 3.39Å; V163-F173 HydrophobicContact CG2-CD1 3.96Å; V163-F173 HydrophobicContact CG2-CE1 3.59Å; K171-F173 HydrophobicContact CB-CD2 4.34Å; K171-F173 HydrophobicContact CB-CE2 3.48Å; K171-F173 VanDerWaalsContact CB-CE2 3.48Å; K171-F173 HydrophobicContact CB-CZ 3.56Å; K171-F173 HydrophobicContact CD-CE1 4.49Å; K171-F173 HydrophobicContact CD-CZ 3.84Å; K171-F173 HydrophobicContact CG-CZ 4.36Å; F173-A175 PolarHBondContact O-N 2.76Å; F173-A185 CarbonylContact O-C 3.48Å; F173-A185 WeakPolarHBondContact O-CA 3.39Å; F173-V186 PolarHBondContact N-O 2.98Å; F173-V186 PolarHBondContact O-N 3.45Å; F173-V188 HydrophobicContact CD2-CB 4.3Å; F173-V188 HydrophobicContact CD2-CG2 3.69Å; F173-V188 HydrophobicContact CE2-CB 3.96Å; F173-V188 HydrophobicContact CE2-CG2 3.79Å; F173-V454 HydrophobicContact CD1-CG1 4.31Å; F173-V454 HydrophobicContact CD1-CG2 4.46Å; F173-V454 HydrophobicContact CE1-CG1 4.32Å; F173-I458 HydrophobicContact CD1-CD1 3.8Å; F173-I458 HydrophobicContact CD2-CD1 4.41Å; F173-I458 HydrophobicContact CE1-CD1 3.15Å; F173-I458 HydrophobicContact CE1-CG1 4.38Å; F173-I458 HydrophobicContact CE2-CD1 3.88Å; F173-I458 HydrophobicContact CE2-CG1 4.41Å; F173-I458 HydrophobicContact CG-CD1 4.39Å; F173-I458 HydrophobicContact CZ-CD1 3.22Å; F173-I458 HydrophobicContact CZ-CG1 4.03Å
174L95.6Very high88.3Confident4 Ų455.3 Ų55.32%0.02128%0.28CS..EExtended strand (participates in β ladder)trans-71.6121.2157.817260.2000107.5L161 K162 I164 Y183 F238 I442L161-L174 HydrophobicContact CB-CG 4.36Å; L161-L174 HydrophobicContact CD1-CD2 4.43Å; L161-L174 HydrophobicContact CD1-CG 4.3Å; L161-L174 PolarHBondContact N-O 2.8Å; K162-L174 HydrophobicContact CB-CB 4.34Å; K162-L174 PolarHBondContact N-O 2.83Å; K162-L174 PolarHBondContact O-N 3.11Å; I164-L174 HydrophobicContact CD1-CB 4.33Å; I164-L174 HydrophobicContact CG2-CB 3.77Å; L174-Y183 HydrophobicContact CD1-CD1 3.92Å; L174-Y183 HydrophobicContact CD1-CG 4.36Å; L174-F238 HydrophobicContact CD1-CD1 3.82Å; L174-F238 HydrophobicContact CD1-CD2 3.82Å; L174-F238 HydrophobicContact CD1-CE1 3.78Å; L174-F238 HydrophobicContact CD1-CE2 3.8Å; L174-F238 HydrophobicContact CD1-CG 3.85Å; L174-F238 HydrophobicContact CD1-CZ 3.79Å; L174-F238 HydrophobicContact CD2-CZ 4.23Å; L174-F238 HydrophobicContact CG-CZ 4.5Å; L174-I442 HydrophobicContact CD2-CG2 3.78Å
175A95.4Very high88.6Confident0 Ų055.2 Ų55.20%028%0.281CS..EExtended strand (participates in β ladder)trans-131.1146.9176.100000111.3F158 D159 F160 F173 Y183 Y184 V186F158-A175 HydrophobicContact CB-CB 4.11Å; F158-A175 HydrophobicContact CD1-CB 4.5Å; D159-A175 CarbonylContact O-C 3.49Å; D159-A175 WeakPolarHBondContact O-CA 3.19Å; F160-A175 HydrophobicContact CD1-CB 4.01Å; F160-A175 HydrophobicContact CE1-CB 4.31Å; F160-A175 HydrophobicContact CG-CB 4.38Å; F173-A175 PolarHBondContact O-N 2.76Å; A175-Y183 CarbonylContact O-C 3.52Å; A175-Y183 WeakPolarHBondContact O-CA 3.48Å; A175-Y184 PolarHBondContact N-O 2.68Å; A175-Y184 PolarHBondContact O-N 2.99Å; A175-V186 HydrophobicContact CB-CB 4.49Å; A175-V186 HydrophobicContact CB-CG2 3.62Å
176K94.5Very high89Confident73 Ų7354.7 Ų54.732%0.31728%0.275SS..EExtended strand (participates in β ladder)trans-106123.5173.5-172.2-179.6-175177.30108.9F158 D159 L161 R178 G181 K182 Y183F158-K176 CarbonylContact C-O 3.56Å; F158-K176 WeakPolarHBondContact CA-O 3.4Å; D159-K176 PolarHBondContact N-O 2.64Å; D159-K176 PolarHBondContact O-N 2.96Å; L161-K176 HydrophobicContact CD1-CB 4.17Å; K176-R178 PolarHBondContact O-N 2.7Å; K176-G181 VanDerWaalsContact CE-CA 3.45Å; K176-G181 WeakPolarHBondContact CE-O 3.36Å; K176-K182 CarbonylContact C-O 3.46Å; K176-K182 WeakPolarHBondContact CA-O 3.33Å; K176-Y183 HydrophobicContact CB-CD1 3.96Å; K176-Y183 HydrophobicContact CB-CE1 3.88Å; K176-Y183 HydrophobicContact CD-CE1 3.92Å; K176-Y183 HydrophobicContact CG-CD1 4.23Å; K176-Y183 HydrophobicContact CG-CE1 3.99Å
177R92.2Very high89.6Confident56 Ų5649.5 Ų49.521%0.21125%0.253CS..EExtended strand (participates in β ladder)trans-73.2131.1175-177.3176.8176.1-147.38.2109.3F158 H179 D180 G181 K182 Y184 Y224F158-R177 HydrophobicContact CD1-CB 3.82Å; F158-R177 HydrophobicContact CD1-CG 4.28Å; F158-R177 HydrophobicContact CE1-CB 3.76Å; F158-R177 HydrophobicContact CE1-CG 3.97Å; F158-R177 HydrophobicContact CZ-CG 4.43Å; R177-H179 VanDerWaalsContact C-N 3.34Å; R177-H179 PolarHBondContact O-N 3.34Å; R177-D180 WeakPolarHBondContact CB-OD1 3.14Å; R177-D180 WeakPolarHBondContact CD-OD2 2.96Å; R177-D180 IonicContact CZ-OD2 3.69Å; R177-D180 IonicContact NE-OD2 2.75Å; R177-D180 IonicContact NH1-OD2 2.77Å; R177-D180 PolarHBondContact NH1-OD2 3.39Å; R177-G181 WeakPolarHBondContact O-CA 3.43Å; R177-G181 PolarHBondContact O-N 3.32Å; R177-K182 PolarHBondContact N-O 3.22Å; R177-Y184 HydrophobicContact CB-CD2 3.95Å; R177-Y184 HydrophobicContact CB-CE2 3.58Å; R177-Y224 PolarHBondContact NH1-OH 2.7Å; R177-Y224 PolarHBondContact NH2-OH 3.36Å
178R90.2Very high90.6Very high164 Ų16447.8 Ų47.862%0.61923%0.233SC*.THydrogen-bonded Turntrans-66.3-35.7-172.9-71.7-179.6169.6-158.9-3.5113.5D157 D159 K176D157-R178 PolarHBondContact O-N 3.33Å; D159-R178 IonicContact OD1-CZ 4Å; D159-R178 IonicContact OD1-NE 2.77Å; D159-R178 PolarHBondContact OD1-NE 3.26Å; D159-R178 IonicContact OD1-NH2 3.7Å; D159-R178 PolarHBondContact OD1-NH2 3.28Å; D159-R178 WeakPolarHBondContact OD2-CG 3.17Å; D159-R178 IonicContact OD2-NE 3.67Å; K176-R178 PolarHBondContact O-N 2.7Å
179H84.6Confident91.6Very high150 Ų15043.9 Ų43.969%0.69421%0.205SC*.THydrogen-bonded Turntrans-69.1-50.2-173.9-179.6-91.8000113R177R177-H179 VanDerWaalsContact C-N 3.34Å; R177-H179 PolarHBondContact O-N 3.34Å
180D84.6Confident92.1Very high57 Ų5747 Ų4731%0.30522%0.221SC..THydrogen-bonded Turntrans-106.4-8.8-174.956.621.8000113.3R177 K182 Y184R177-D180 WeakPolarHBondContact CB-OD1 3.14Å; R177-D180 WeakPolarHBondContact CD-OD2 2.96Å; R177-D180 IonicContact CZ-OD2 3.69Å; R177-D180 IonicContact NE-OD2 2.75Å; R177-D180 IonicContact NH1-OD2 2.77Å; R177-D180 PolarHBondContact NH1-OD2 3.39Å; D180-K182 HydrophobicContact CB-CD 4.46Å; D180-K182 HydrophobicContact CB-CG 4.24Å; D180-K182 PolarHBondContact O-N 2.79Å; D180-K182 WeakPolarHBondContact OD1-CB 3.47Å; D180-K182 PolarHBondContact OD1-N 3.19Å; D180-Y184 PolarHBondContact OD2-OH 2.79Å
181G88.9Confident92.1Very high27 Ų2746.4 Ų46.428%0.27822%0.215SC..  trans68.811.8-177.200000114.6K176 R177K176-G181 VanDerWaalsContact CE-CA 3.45Å; K176-G181 WeakPolarHBondContact CE-O 3.36Å; R177-G181 WeakPolarHBondContact O-CA 3.43Å; R177-G181 PolarHBondContact O-N 3.32Å
182K91.4Very high91.8Very high127 Ų12752.1 Ų52.155%0.55224%0.239SC*.  trans-77.9149.3179.6-67.7-178.7179.81780111.4K176 R177 D180 Y184K176-K182 CarbonylContact C-O 3.46Å; K176-K182 WeakPolarHBondContact CA-O 3.33Å; R177-K182 PolarHBondContact N-O 3.22Å; D180-K182 HydrophobicContact CB-CD 4.46Å; D180-K182 HydrophobicContact CB-CG 4.24Å; D180-K182 PolarHBondContact O-N 2.79Å; D180-K182 WeakPolarHBondContact OD1-CB 3.47Å; D180-K182 PolarHBondContact OD1-N 3.19Å; K182-Y184 HydrophobicContact CB-CD2 4.5Å; K182-Y184 HydrophobicContact CB-CE2 3.64Å; K182-Y184 WeakPolarHBondContact O-CD2 3.46Å
183Y94.4Very high91.5Very high62 Ų6252.1 Ų52.124%0.24324%0.239CC..EExtended strand (participates in β ladder)trans-93.8140177.3-65-78.3000111L161 L174 A175 K176L161-Y183 HydrophobicContact CD1-CD1 4.09Å; L161-Y183 HydrophobicContact CD1-CE1 3.63Å; L174-Y183 HydrophobicContact CD1-CD1 3.92Å; L174-Y183 HydrophobicContact CD1-CG 4.36Å; A175-Y183 CarbonylContact O-C 3.52Å; A175-Y183 WeakPolarHBondContact O-CA 3.48Å; K176-Y183 HydrophobicContact CB-CD1 3.96Å; K176-Y183 HydrophobicContact CB-CE1 3.88Å; K176-Y183 HydrophobicContact CD-CE1 3.92Å; K176-Y183 HydrophobicContact CG-CD1 4.23Å; K176-Y183 HydrophobicContact CG-CE1 3.99Å
184Y95.1Very high91Very high7 Ų751.9 Ų51.93%0.02724%0.238CC..EExtended strand (participates in β ladder)trans-137.2153.6-177.2-63.9-81000110.9F158 A175 R177 D180 K182 H223 V235F158-Y184 HydrophobicContact CD1-CD2 4.47Å; F158-Y184 HydrophobicContact CE1-CD2 4.07Å; F158-Y184 HydrophobicContact CE1-CE2 4.49Å; A175-Y184 PolarHBondContact N-O 2.68Å; A175-Y184 PolarHBondContact O-N 2.99Å; R177-Y184 HydrophobicContact CB-CD2 3.95Å; R177-Y184 HydrophobicContact CB-CE2 3.58Å; D180-Y184 PolarHBondContact OD2-OH 2.79Å; K182-Y184 HydrophobicContact CB-CD2 4.5Å; K182-Y184 HydrophobicContact CB-CE2 3.64Å; K182-Y184 WeakPolarHBondContact O-CD2 3.46Å; Y184-H223 HydrophobicContact CD1-CB 4.44Å; Y184-H223 AromaticContact CD1-CD2 3.93Å; Y184-H223 HydrophobicContact CE1-CB 4.02Å; Y184-H223 AromaticContact CE1-CD2 3.68Å; Y184-H223 AromaticContact CE1-CE1 3.91Å; Y184-H223 AromaticContact CE1-CG 3.5Å; Y184-H223 VanDerWaalsContact CE1-CG 3.5Å; Y184-H223 AromaticContact CE1-ND1 3.64Å; Y184-H223 AromaticContact CE1-NE2 3.92Å; Y184-V235 HydrophobicContact CD1-CG1 3.63Å; Y184-V235 HydrophobicContact CD2-CG1 4.3Å; Y184-V235 HydrophobicContact CE1-CG1 4.35Å; Y184-V235 HydrophobicContact CG-CG1 3.58Å
185A95.6Very high90.2Very high11 Ų1154.3 Ų54.39%0.09125%0.251CS..EExtended strand (participates in β ladder)trans-93.4112.1164.400000108.9I164 V172 F173 L236 F238I164-A185 HydrophobicContact CD1-CB 4.13Å; V172-A185 HydrophobicContact CG1-CB 4.17Å; F173-A185 CarbonylContact O-C 3.48Å; F173-A185 WeakPolarHBondContact O-CA 3.39Å; A185-L236 HydrophobicContact CB-CB 4.43Å; A185-L236 PolarHBondContact N-O 3.01Å; A185-L236 WeakPolarHBondContact O-CB 3.15Å; A185-L236 PolarHBondContact O-N 3.25Å; A185-F238 HydrophobicContact CB-CD2 4.46Å
186V95.2Very high89.5Confident0 Ų059.4 Ų59.40%028%0.278CS..EExtended strand (participates in β ladder)trans-102.4106.1-179-172.20000109.9F160 V172 F173 A175 V188 Y233 F234 V235F160-V186 HydrophobicContact CE1-CB 3.95Å; F160-V186 HydrophobicContact CE1-CG1 3.84Å; F160-V186 HydrophobicContact CE1-CG2 4.32Å; F160-V186 HydrophobicContact CZ-CG1 4.3Å; V172-V186 WeakPolarHBondContact CA-O 3.48Å; F173-V186 PolarHBondContact N-O 2.98Å; F173-V186 PolarHBondContact O-N 3.45Å; A175-V186 HydrophobicContact CB-CB 4.49Å; A175-V186 HydrophobicContact CB-CG2 3.62Å; V186-V188 HydrophobicContact CG1-CG2 3.89Å; V186-Y233 HydrophobicContact CG1-CD1 4Å; V186-F234 CarbonylContact C-O 3.57Å; V186-F234 VanDerWaalsContact CA-O 3.28Å; V186-F234 WeakPolarHBondContact CA-O 3.38Å; V186-V235 HydrophobicContact CG1-CG2 4.36Å; V186-V235 HydrophobicContact CG2-CG1 4.32Å; V186-V235 HydrophobicContact CG2-CG2 4.28Å
187K94.4Very high88.7Confident36 Ų3661.3 Ų61.316%0.15728%0.284CS..EExtended strand (participates in β ladder)trans-83.9111.2174-179.6177.6-178.7-179.90108.6V172 L189 E206 Y233 F234 D300V172-K187 HydrophobicContact CG2-CB 4.26Å; V172-K187 HydrophobicContact CG2-CG 4.28Å; K187-L189 HydrophobicContact CD-CD2 4.4Å; K187-L189 HydrophobicContact CG-CD2 3.78Å; K187-L189 HydrophobicContact CG-CG 4.35Å; K187-E206 IonicContact NZ-OE1 2.79Å; K187-E206 PolarHBondContact NZ-OE1 3.27Å; K187-E206 IonicContact NZ-OE2 3.23Å; K187-E206 PolarHBondContact NZ-OE2 2.97Å; K187-Y233 WeakPolarHBondContact O-CA 3.47Å; K187-F234 HydrophobicContact CB-CB 4.22Å; K187-F234 PolarHBondContact N-O 3.2Å; K187-F234 PolarHBondContact O-N 2.89Å; K187-D300 IonicContact NZ-OD1 2.94Å; K187-D300 PolarHBondContact NZ-OD1 3.44Å
188V93.9Very high88.1Confident9 Ų966.8 Ų66.86%0.05531%0.309CS..EExtended strand (participates in β ladder)trans-107.9117.7-177.5-173.40000109.6F160 G170 K171 F173 V186 K231 L232 Y233F160-V188 HydrophobicContact CE1-CG2 4.36Å; G170-V188 CarbonylContact C-O 3.54Å; G170-V188 WeakPolarHBondContact CA-O 3.13Å; K171-V188 PolarHBondContact N-O 3.47Å; K171-V188 PolarHBondContact O-N 2.82Å; F173-V188 HydrophobicContact CD2-CB 4.3Å; F173-V188 HydrophobicContact CD2-CG2 3.69Å; F173-V188 HydrophobicContact CE2-CB 3.96Å; F173-V188 HydrophobicContact CE2-CG2 3.79Å; V186-V188 HydrophobicContact CG1-CG2 3.89Å; V188-K231 HydrophobicContact CG1-CB 4.14Å; V188-K231 HydrophobicContact CG1-CD 3.75Å; V188-K231 HydrophobicContact CG1-CG 4.25Å; V188-L232 CarbonylContact C-O 3.47Å; V188-L232 WeakPolarHBondContact CA-O 3.28Å; V188-Y233 HydrophobicContact CB-CD1 4.4Å; V188-Y233 HydrophobicContact CB-CE1 4.35Å; V188-Y233 HydrophobicContact CG1-CD1 4.14Å; V188-Y233 HydrophobicContact CG1-CE1 3.73Å; V188-Y233 HydrophobicContact CG2-CD1 3.63Å; V188-Y233 HydrophobicContact CG2-CE1 3.68Å
189L92.1Very high87.7Confident4 Ų461 Ų612%0.02129%0.289CS..EExtended strand (participates in β ladder)trans-114.2144.7-176-47.7-178.9000111.5F169 K187 I194 I203 K231 L232 F234F169-L189 HydrophobicContact CB-CD2 4.2Å; F169-L189 WeakPolarHBondContact O-CA 3.43Å; K187-L189 HydrophobicContact CD-CD2 4.4Å; K187-L189 HydrophobicContact CG-CD2 3.78Å; K187-L189 HydrophobicContact CG-CG 4.35Å; L189-I194 HydrophobicContact CB-CD1 3.8Å; L189-I194 HydrophobicContact CD1-CD1 4.26Å; L189-I203 HydrophobicContact CD1-CD1 3.65Å; L189-I203 HydrophobicContact CD1-CG1 4.36Å; L189-I203 HydrophobicContact CD1-CG2 4.21Å; L189-K231 CarbonylContact O-C 3.56Å; L189-K231 WeakPolarHBondContact O-CA 3.19Å; L189-K231 WeakPolarHBondContact O-CB 3.42Å; L189-L232 HydrophobicContact CB-CB 4.38Å; L189-L232 PolarHBondContact N-O 3.36Å; L189-L232 PolarHBondContact O-N 2.93Å; L189-F234 HydrophobicContact CD1-CD2 4.32Å; L189-F234 HydrophobicContact CD1-CE2 3.78Å
190Q89.9Confident87.6Confident106 Ų10657.3 Ų57.350%0.49527%0.272SS..EExtended strand (participates in β ladder)trans-91.4118179.3-63.9-178.433.300111.4F169 K192 V193 I194F169-Q190 PolarHBondContact O-N 3.09Å; Q190-K192 VanDerWaalsContact C-N 3.28Å; Q190-K192 PolarHBondContact O-N 2.96Å; Q190-V193 HydrophobicContact CB-CB 4.16Å; Q190-V193 HydrophobicContact CB-CG2 3.77Å; Q190-V193 PolarHBondContact O-N 2.81Å; Q190-I194 WeakPolarHBondContact O-CG1 3.46Å; Q190-I194 PolarHBondContact O-N 3.48Å; Q190-I194 VanDerWaalsContact O-N 3.14Å
191K87.6Confident87.4Confident2 Ų261.4 Ų61.41%0.00929%0.287CS..Hα-helixtrans-54-45-179.3-72-173.3175.9-166.20112.1V193 I194 L195 Q227 T228 D230 L232 A474 D475 F478K191-V193 VanDerWaalsContact C-N 3.3Å; K191-V193 PolarHBondContact O-N 3.31Å; K191-I194 PolarHBondContact O-N 3.39Å; K191-L195 WeakPolarHBondContact O-CG 3.22Å; K191-L195 PolarHBondContact O-N 2.87Å; K191-Q227 VanDerWaalsContact CE-OE1 3.31Å; K191-T228 WeakPolarHBondContact CE-O 3.24Å; K191-T228 PolarHBondContact NZ-O 3.26Å; K191-D230 PolarHBondContact N-O 3.28Å; K191-L232 HydrophobicContact CD-CD2 4.5Å; K191-L232 HydrophobicContact CG-CD2 4.2Å; K191-L232 HydrophobicContact CG-CG 4.09Å; K191-A474 HydrophobicContact CD-CB 4.5Å; K191-D475 IonicContact NZ-OD1 3.13Å; K191-D475 PolarHBondContact NZ-OD1 3.37Å; K191-F478 HydrophobicContact CB-CE2 4Å; K191-F478 HydrophobicContact CD-CD2 3.91Å; K191-F478 HydrophobicContact CD-CE2 4.14Å; K191-F478 HydrophobicContact CG-CD2 3.96Å; K191-F478 HydrophobicContact CG-CE2 3.79Å
192K85.8Confident86.9Confident158 Ų15862.8 Ų62.869%0.68729%0.286SS*.Hα-helixtrans-57.9-40.3178.8-174.7175.5-179.8176.90112.6Q190 N196Q190-K192 VanDerWaalsContact C-N 3.28Å; Q190-K192 PolarHBondContact O-N 2.96Å; K192-N196 VanDerWaalsContact O-CB 3.24Å; K192-N196 WeakPolarHBondContact O-CB 3.29Å; K192-N196 PolarHBondContact O-N 3.44Å; K192-N196 VanDerWaalsContact O-N 3.07Å; K192-N196 PolarHBondContact O-ND2 3.36Å; K192-N196 VanDerWaalsContact O-ND2 3.17Å
193V86.2Confident86.6Confident37 Ų3757 Ų5722%0.22426%0.261CS..Hα-helixtrans-70.5-41.9179.9-178.40000110.5F169 Q190 K191 R197F169-V193 HydrophobicContact CD1-CG1 4.14Å; Q190-V193 HydrophobicContact CB-CB 4.16Å; Q190-V193 HydrophobicContact CB-CG2 3.77Å; Q190-V193 PolarHBondContact O-N 2.81Å; K191-V193 VanDerWaalsContact C-N 3.3Å; K191-V193 PolarHBondContact O-N 3.31Å; V193-R197 WeakPolarHBondContact O-CG 3.22Å; V193-R197 PolarHBondContact O-N 2.98Å
194I82.6Confident86Confident0 Ų055 Ų550%025%0.254CS..Hα-helixtrans-61.4-51.4177.7-62.9162.6000110.6F169 L189 Q190 K191 N196 R197 K198 E199 Q200 I203 L232 F478F169-I194 HydrophobicContact CB-CG1 4.14Å; F169-I194 HydrophobicContact CD1-CG1 4.36Å; F169-I194 HydrophobicContact CG-CG1 4.33Å; L189-I194 HydrophobicContact CB-CD1 3.8Å; L189-I194 HydrophobicContact CD1-CD1 4.26Å; Q190-I194 WeakPolarHBondContact O-CG1 3.46Å; Q190-I194 PolarHBondContact O-N 3.48Å; Q190-I194 VanDerWaalsContact O-N 3.14Å; K191-I194 PolarHBondContact O-N 3.39Å; I194-N196 PolarHBondContact O-N 2.84Å; I194-R197 CarbonylContact O-C 3.49Å; I194-R197 PolarHBondContact O-N 3.33Å; I194-R197 VanDerWaalsContact O-N 3.14Å; I194-K198 PolarHBondContact O-N 3.22Å; I194-E199 HydrophobicContact CG2-CB 4Å; I194-E199 PolarHBondContact O-N 3.26Å; I194-Q200 HydrophobicContact CG2-CB 4.46Å; I194-I203 HydrophobicContact CD1-CG1 4.1Å; I194-I203 HydrophobicContact CG1-CG1 4.29Å; I194-I203 HydrophobicContact CG2-CG1 4.01Å; I194-L232 HydrophobicContact CD1-CD1 3.78Å; I194-F478 HydrophobicContact CB-CZ 4.15Å; I194-F478 HydrophobicContact CD1-CZ 4.34Å; I194-F478 HydrophobicContact CG2-CE1 4.04Å; I194-F478 HydrophobicContact CG2-CZ 3.72Å
195L80.3Confident85.4Confident54 Ų5456.1 Ų56.128%0.28327%0.265SS..Hα-helixtrans-63.3-42.4-178.8-67.5170.4000111.8K191 R197 K198 A474 A477 F478K191-L195 WeakPolarHBondContact O-CG 3.22Å; K191-L195 PolarHBondContact O-N 2.87Å; L195-R197 PolarHBondContact O-N 3.14Å; L195-K198 PolarHBondContact O-N 3.26Å; L195-A474 HydrophobicContact CD1-CB 3.57Å; L195-A477 HydrophobicContact CD2-CB 3.79Å; L195-F478 HydrophobicContact CD1-CE2 4.32Å; L195-F478 HydrophobicContact CD2-CE2 4.1Å; L195-F478 HydrophobicContact CD2-CZ 4.15Å; L195-F478 HydrophobicContact CG-CE2 4.1Å; L195-F478 HydrophobicContact CG-CZ 4.27Å
196N79.9Confident85Confident108 Ų10856 Ų5658%0.57826%0.262SS*.Hα-helixtrans-61.2-27.2176.7-75.7-14.1000113.3K192 I194K192-N196 VanDerWaalsContact O-CB 3.24Å; K192-N196 WeakPolarHBondContact O-CB 3.29Å; K192-N196 PolarHBondContact O-N 3.44Å; K192-N196 VanDerWaalsContact O-N 3.07Å; K192-N196 PolarHBondContact O-ND2 3.36Å; K192-N196 VanDerWaalsContact O-ND2 3.17Å; I194-N196 PolarHBondContact O-N 2.84Å
197R77.9Confident84.6Confident113 Ų11356.1 Ų56.143%0.42626%0.263SS..Hα-helixtrans-97.6-1.9177.4-68.6-179.2174.5-171.53.5113.3S168 F169 V193 I194 L195 E199S168-R197 PolarHBondContact O-NH1 3Å; F169-R197 HydrophobicContact CE1-CB 4.29Å; V193-R197 WeakPolarHBondContact O-CG 3.22Å; V193-R197 PolarHBondContact O-N 2.98Å; I194-R197 CarbonylContact O-C 3.49Å; I194-R197 PolarHBondContact O-N 3.33Å; I194-R197 VanDerWaalsContact O-N 3.14Å; L195-R197 PolarHBondContact O-N 3.14Å; R197-E199 VanDerWaalsContact C-N 3.28Å; R197-E199 HydrophobicContact CB-CG 3.72Å; R197-E199 PolarHBondContact O-N 2.86Å
198K80.6Confident84.1Confident170 Ų17056.2 Ų56.274%0.73927%0.265SS*.THydrogen-bonded Turntrans59.931.9-176.2-55.5-179.2178.3179.40114.3I194 L195I194-K198 PolarHBondContact O-N 3.22Å; L195-K198 PolarHBondContact O-N 3.26Å
199E80.6Confident83.7Confident44 Ų4455.8 Ų55.821%0.20626%0.262CS..  trans-93.98.5-173.1-68.6-73.3165.800113.6F169 I194 R197 K201 H202 I203F169-E199 HydrophobicContact CE1-CB 4.02Å; F169-E199 HydrophobicContact CE1-CG 3.66Å; F169-E199 HydrophobicContact CZ-CB 3.97Å; F169-E199 HydrophobicContact CZ-CG 3.56Å; I194-E199 HydrophobicContact CG2-CB 4Å; I194-E199 PolarHBondContact O-N 3.26Å; R197-E199 VanDerWaalsContact C-N 3.28Å; R197-E199 HydrophobicContact CB-CG 3.72Å; R197-E199 PolarHBondContact O-N 2.86Å; E199-K201 VanDerWaalsContact C-N 3.34Å; E199-K201 PolarHBondContact O-N 3.04Å; E199-H202 PolarHBondContact O-N 3.2Å; E199-H202 IonicContact OE2-CE1 3.83Å; E199-H202 IonicContact OE2-CG 3.77Å; E199-H202 IonicContact OE2-ND1 3.69Å; E199-H202 PolarHBondContact OE2-ND1 2.9Å; E199-I203 WeakPolarHBondContact O-CG1 2.75Å; E199-I203 PolarHBondContact O-N 3.4Å; E199-I203 VanDerWaalsContact O-N 3.13Å
200Q83.1Confident83.4Confident71 Ų7156 Ų5633%0.33226%0.264SS..Hα-helixtrans-55.5-46-176.4175.8-159-26.600112.4I194 H202 I203 M204 A477 F478I194-Q200 HydrophobicContact CG2-CB 4.46Å; Q200-H202 VanDerWaalsContact C-N 3.34Å; Q200-H202 PolarHBondContact O-N 3.07Å; Q200-I203 PolarHBondContact O-N 2.78Å; Q200-M204 WeakPolarHBondContact O-CG 3.21Å; Q200-M204 PolarHBondContact O-N 2.75Å; Q200-A477 HydrophobicContact CG-CB 4.4Å; Q200-A477 WeakPolarHBondContact CG-O 3.45Å; Q200-A477 PolarHBondContact NE2-O 3.41Å; Q200-F478 HydrophobicContact CB-CE1 4.05Å; Q200-F478 HydrophobicContact CB-CZ 4.3Å; Q200-F478 HydrophobicContact CG-CD1 4.09Å; Q200-F478 HydrophobicContact CG-CE1 3.68Å; Q200-F478 HydrophobicContact CG-CZ 4.16Å
201K79.6Confident83Confident143 Ų14352.8 Ų52.862%0.62225%0.249SC*.Hα-helixtrans-60.6-43.4-178.8-70.6-173.1178.4-174.90111.6E199 M204 A205E199-K201 VanDerWaalsContact C-N 3.34Å; E199-K201 PolarHBondContact O-N 3.04Å; K201-M204 PolarHBondContact O-N 3.5Å; K201-A205 WeakPolarHBondContact O-CB 3.32Å; K201-A205 PolarHBondContact O-N 2.82Å
202H78.4Confident82.4Confident56 Ų5657.5 Ų57.526%0.25927%0.27SS..Hα-helixtrans-64.9-42.3178.7-61.4142.2000111.9E199 Q200 M204 A205 E206E199-H202 PolarHBondContact O-N 3.2Å; E199-H202 IonicContact OE2-CE1 3.83Å; E199-H202 IonicContact OE2-CG 3.77Å; E199-H202 IonicContact OE2-ND1 3.69Å; E199-H202 PolarHBondContact OE2-ND1 2.9Å; Q200-H202 VanDerWaalsContact C-N 3.34Å; Q200-H202 PolarHBondContact O-N 3.07Å; H202-M204 PolarHBondContact O-N 3.28Å; H202-A205 PolarHBondContact O-N 2.96Å; H202-E206 PolarHBondContact O-N 2.83Å
203I85.7Confident81.2Confident6 Ų654.4 Ų54.43%0.03126%0.261CS..Hα-helixtrans-64.1-39.7176.5-62.7-55.4000112.1F169 L189 I194 E199 Q200 R207 L232 F234 F481F169-I203 HydrophobicContact CD2-CD1 4.45Å; L189-I203 HydrophobicContact CD1-CD1 3.65Å; L189-I203 HydrophobicContact CD1-CG1 4.36Å; L189-I203 HydrophobicContact CD1-CG2 4.21Å; I194-I203 HydrophobicContact CD1-CG1 4.1Å; I194-I203 HydrophobicContact CG1-CG1 4.29Å; I194-I203 HydrophobicContact CG2-CG1 4.01Å; E199-I203 WeakPolarHBondContact O-CG1 2.75Å; E199-I203 PolarHBondContact O-N 3.4Å; E199-I203 VanDerWaalsContact O-N 3.13Å; Q200-I203 PolarHBondContact O-N 2.78Å; I203-R207 PolarHBondContact O-N 2.95Å; I203-R207 VanDerWaalsContact O-N 3.13Å; I203-L232 HydrophobicContact CG2-CD1 3.71Å; I203-F234 HydrophobicContact CG2-CE2 4.17Å; I203-F234 HydrophobicContact CG2-CZ 4.07Å; I203-F481 HydrophobicContact CG2-CE2 4.08Å
204M82.6Confident80.2Confident21 Ų2153 Ų5310%0.10325%0.253CS..Hα-helixtrans-69-36.1175.7-67.8-60.5-68.100111.8L145 Q200 K201 H202 R207 N208 F478 L479 F481L145-M204 HydrophobicContact CD1-CE 3.73Å; Q200-M204 WeakPolarHBondContact O-CG 3.21Å; Q200-M204 PolarHBondContact O-N 2.75Å; K201-M204 PolarHBondContact O-N 3.5Å; H202-M204 PolarHBondContact O-N 3.28Å; M204-R207 PolarHBondContact O-N 2.79Å; M204-N208 WeakPolarHBondContact O-CB 3.31Å; M204-N208 PolarHBondContact O-N 2.91Å; M204-N208 PolarHBondContact O-ND2 2.79Å; M204-N208 PolarHBondContact O-OD1 2.86Å; M204-F478 HydrophobicContact CG-CD1 4.47Å; M204-F478 HydrophobicContact SD-CD1 4.15Å; M204-L479 WeakPolarHBondContact CE-O 3.44Å; M204-F481 HydrophobicContact CE-CB 4.49Å; M204-F481 HydrophobicContact SD-CB 4.15Å; M204-F481 HydrophobicContact SD-CD2 3.83Å
205A81.4Confident79.9Confident30 Ų3061.3 Ų61.325%0.24829%0.289CS..Hα-helixtrans-65.9-45.8174.300000112K201 H202 R207 N208 V209K201-A205 WeakPolarHBondContact O-CB 3.32Å; K201-A205 PolarHBondContact O-N 2.82Å; H202-A205 PolarHBondContact O-N 2.96Å; A205-R207 VanDerWaalsContact C-N 3.28Å; A205-R207 PolarHBondContact O-N 2.93Å; A205-N208 PolarHBondContact O-N 2.73Å; A205-V209 WeakPolarHBondContact O-CG2 3.49Å; A205-V209 PolarHBondContact O-N 2.9Å
206E87.5Confident80.4Confident7 Ų759.4 Ų59.43%0.03328%0.278CS..Hα-helixtrans-53.4-47.6173.9-177.8-179.2-177.500110.6K187 H202 V209 L210 F301K187-E206 IonicContact NZ-OE1 2.79Å; K187-E206 PolarHBondContact NZ-OE1 3.27Å; K187-E206 IonicContact NZ-OE2 3.23Å; K187-E206 PolarHBondContact NZ-OE2 2.97Å; H202-E206 PolarHBondContact O-N 2.83Å; E206-V209 PolarHBondContact O-N 3.27Å; E206-L210 HydrophobicContact CG-CD1 4.21Å; E206-L210 WeakPolarHBondContact O-CB 3.44Å; E206-L210 WeakPolarHBondContact O-CG 3.38Å; E206-L210 PolarHBondContact O-N 2.92Å; E206-L210 VanDerWaalsContact O-N 3.08Å; E206-F301 HydrophobicContact CG-CB 4.23Å
207R87.1Confident81.2Confident4 Ų456.5 Ų56.52%0.01527%0.265CS..Hα-helixtrans-59.4-48.2174.8-175.7-166.4164.1-11014.5112.2S148 I203 M204 A205 V209 L210 L211 S225 F234 G480 F481 S482S148-R207 PolarHBondContact OG-NH2 2.92Å; I203-R207 PolarHBondContact O-N 2.95Å; I203-R207 VanDerWaalsContact O-N 3.13Å; M204-R207 PolarHBondContact O-N 2.79Å; A205-R207 VanDerWaalsContact C-N 3.28Å; A205-R207 PolarHBondContact O-N 2.93Å; R207-V209 VanDerWaalsContact C-N 3.32Å; R207-V209 PolarHBondContact O-N 3.41Å; R207-L210 WeakPolarHBondContact O-CB 3.44Å; R207-L210 PolarHBondContact O-N 3.21Å; R207-L211 HydrophobicContact CG-CD1 4.04Å; R207-L211 HydrophobicContact CG-CG 4.25Å; R207-L211 VanDerWaalsContact NH1-CD1 3.35Å; R207-L211 WeakPolarHBondContact O-CB 3.43Å; R207-L211 VanDerWaalsContact O-CG 3.32Å; R207-L211 WeakPolarHBondContact O-CG 3.19Å; R207-L211 PolarHBondContact O-N 2.85Å; R207-S225 PolarHBondContact NE-OG 3.3Å; R207-F234 HydrophobicContact CB-CE1 3.66Å; R207-F234 HydrophobicContact CB-CZ 4.1Å; R207-F234 HydrophobicContact CG-CE1 4.11Å; R207-G480 PolarHBondContact NH1-O 2.72Å; R207-G480 PolarHBondContact NH2-O 3.27Å; R207-F481 HydrophobicContact CB-CE2 4.3Å; R207-F481 WeakPolarHBondContact CD-O 3.18Å; R207-F481 HydrophobicContact CG-CE2 4.44Å; R207-F481 VanDerWaalsContact NE-C 3.31Å; R207-F481 PolarHBondContact NE-O 2.82Å; R207-F481 PolarHBondContact NH2-O 2.96Å; R207-S482 PolarHBondContact NH2-O 3.17Å
208N83.8Confident82.1Confident37 Ų3751.1 Ų51.120%0.19825%0.245CC..Hα-helixtrans-63.8-39.9-176.2-69.5-16.4000111.8M204 A205 L211 K212M204-N208 WeakPolarHBondContact O-CB 3.31Å; M204-N208 PolarHBondContact O-N 2.91Å; M204-N208 PolarHBondContact O-ND2 2.79Å; M204-N208 PolarHBondContact O-OD1 2.86Å; A205-N208 PolarHBondContact O-N 2.73Å; N208-L211 PolarHBondContact O-N 3.14Å; N208-K212 WeakPolarHBondContact O-CG 3.48Å; N208-K212 PolarHBondContact O-N 3.31Å
209V84.3Confident82.8Confident0 Ų043.4 Ų43.40%021%0.212CC..Hα-helixtrans-56.9-52.6172.3167.30000110.1A205 E206 R207 L211 K212 V214 I278 F301 C304 E306A205-V209 WeakPolarHBondContact O-CG2 3.49Å; A205-V209 PolarHBondContact O-N 2.9Å; E206-V209 PolarHBondContact O-N 3.27Å; R207-V209 VanDerWaalsContact C-N 3.32Å; R207-V209 PolarHBondContact O-N 3.41Å; V209-L211 PolarHBondContact O-N 3.07Å; V209-K212 PolarHBondContact O-N 3.42Å; V209-V214 WeakPolarHBondContact O-CG2 3.47Å; V209-I278 HydrophobicContact CG1-CD1 4.27Å; V209-I278 HydrophobicContact CG1-CG2 4.22Å; V209-I278 HydrophobicContact CG2-CD1 4.41Å; V209-I278 HydrophobicContact CG2-CG2 4.24Å; V209-F301 HydrophobicContact CG1-CB 3.99Å; V209-F301 HydrophobicContact CG1-CD1 3.75Å; V209-F301 HydrophobicContact CG1-CE1 4.47Å; V209-F301 HydrophobicContact CG1-CG 4Å; V209-C304 HydrophobicContact CG1-CB 4.39Å; V209-C304 HydrophobicContact CG2-CB 3.88Å; V209-E306 HydrophobicContact CG2-CG 3.44Å; V209-E306 VanDerWaalsContact CG2-CG 3.44Å
210L85.8Confident83.4Confident10 Ų1041.5 Ų41.55%0.05220%0.203CC..Hα-helixtrans-59.8-31.2178.5-77169.7000113.2E206 R207 V220 L222 F234 L236 F301E206-L210 HydrophobicContact CG-CD1 4.21Å; E206-L210 WeakPolarHBondContact O-CB 3.44Å; E206-L210 WeakPolarHBondContact O-CG 3.38Å; E206-L210 PolarHBondContact O-N 2.92Å; E206-L210 VanDerWaalsContact O-N 3.08Å; R207-L210 WeakPolarHBondContact O-CB 3.44Å; R207-L210 PolarHBondContact O-N 3.21Å; L210-V220 HydrophobicContact CD2-CG1 4.47Å; L210-L222 HydrophobicContact CB-CB 3.81Å; L210-L222 HydrophobicContact CB-CD2 3.65Å; L210-L222 HydrophobicContact CB-CG 4.3Å; L210-L222 HydrophobicContact CD1-CD2 4.44Å; L210-L222 HydrophobicContact CD2-CB 4.29Å; L210-L222 HydrophobicContact CG-CB 4.44Å; L210-F234 HydrophobicContact CD1-CD1 3.95Å; L210-F234 HydrophobicContact CD1-CE1 4.12Å; L210-L236 HydrophobicContact CD1-CD2 4.06Å; L210-L236 HydrophobicContact CD2-CD2 4.34Å; L210-F301 HydrophobicContact CD2-CD2 3.44Å; L210-F301 VanDerWaalsContact CD2-CD2 3.44Å; L210-F301 HydrophobicContact CD2-CE2 3.56Å; L210-F301 HydrophobicContact CD2-CG 4.41Å; L210-F301 HydrophobicContact CG-CD2 4Å
211L81.6Confident83.8Confident37 Ų3739 Ų3919%0.19420%0.196CC..Hα-helixtrans-81.7-18.4-179-77.3-176000115.9R207 N208 V209 N213 L222 Y483R207-L211 HydrophobicContact CG-CD1 4.04Å; R207-L211 HydrophobicContact CG-CG 4.25Å; R207-L211 VanDerWaalsContact NH1-CD1 3.35Å; R207-L211 WeakPolarHBondContact O-CB 3.43Å; R207-L211 VanDerWaalsContact O-CG 3.32Å; R207-L211 WeakPolarHBondContact O-CG 3.19Å; R207-L211 PolarHBondContact O-N 2.85Å; N208-L211 PolarHBondContact O-N 3.14Å; V209-L211 PolarHBondContact O-N 3.07Å; L211-N213 PolarHBondContact O-N 3.21Å; L211-L222 HydrophobicContact CD2-CD2 3.64Å; L211-L222 HydrophobicContact CG-CD2 3.94Å; L211-Y483 HydrophobicContact CD1-CD2 4.49Å; L211-Y483 HydrophobicContact CD1-CG 4.42Å; L211-Y483 HydrophobicContact CD2-CD1 3.23Å; L211-Y483 HydrophobicContact CD2-CD2 3.44Å; L211-Y483 VanDerWaalsContact CD2-CD2 3.44Å; L211-Y483 HydrophobicContact CD2-CE1 3.5Å; L211-Y483 VanDerWaalsContact CD2-CE1 3.5Å; L211-Y483 HydrophobicContact CD2-CE2 3.71Å; L211-Y483 HydrophobicContact CD2-CG 3.18Å; L211-Y483 HydrophobicContact CG-CG 4.44Å
212K76.3Confident84.3Confident101 Ų10133.1 Ų33.144%0.43917%0.172SC..THydrogen-bonded Turntrans-68.124.5-178.1-81.9177.2175.3172.80113.9N208 V209 V214 I278 E306N208-K212 WeakPolarHBondContact O-CG 3.48Å; N208-K212 PolarHBondContact O-N 3.31Å; V209-K212 PolarHBondContact O-N 3.42Å; K212-V214 VanDerWaalsContact C-N 3.35Å; K212-I278 HydrophobicContact CD-CD1 4.26Å; K212-E306 VanDerWaalsContact CD-OE1 3.32Å; K212-E306 WeakPolarHBondContact CD-OE1 3.28Å; K212-E306 WeakPolarHBondContact CE-OE1 3.39Å; K212-E306 VanDerWaalsContact NZ-CD 3.32Å; K212-E306 IonicContact NZ-OE1 3.71Å; K212-E306 PolarHBondContact NZ-OE1 2.92Å; K212-E306 IonicContact NZ-OE2 2.87Å
213N60.1Low84.7Confident93 Ų9333 Ų3350%0.49717%0.171SC..THydrogen-bonded Turntrans53.851.3-176.2-85.1-30.5000111.2L211 K215 Y272L211-N213 PolarHBondContact O-N 3.21Å; N213-K215 PolarHBondContact O-N 3.07Å; N213-Y272 PolarHBondContact O-OH 3.02Å
214V65.9Low84.8Confident9 Ų934 Ų346%0.05518%0.175CC..  trans-64.377168.4-176.90000108.2V209 K212 H216 L219 Y272 L273V209-V214 WeakPolarHBondContact O-CG2 3.47Å; K212-V214 VanDerWaalsContact C-N 3.35Å; V214-H216 VanDerWaalsContact C-N 3.27Å; V214-H216 PolarHBondContact O-N 3.25Å; V214-L219 HydrophobicContact CG1-CB 3.54Å; V214-L219 HydrophobicContact CG1-CD1 3.13Å; V214-L219 HydrophobicContact CG1-CG 3.91Å; V214-Y272 HydrophobicContact CB-CE1 4.37Å; V214-Y272 HydrophobicContact CG1-CD1 4.5Å; V214-Y272 HydrophobicContact CG1-CE1 3.96Å; V214-L273 HydrophobicContact CG1-CD2 4.42Å
215K74.7Confident85.1Confident173 Ų17333.1 Ų33.175%0.75217%0.17SC*.  trans-99.448.3179.6-67.1-169178.4-1710109.4N213N213-K215 PolarHBondContact O-N 3.07Å
216H92.6Very high85.4Confident14 Ų1432 Ų327%0.06516%0.16CC..  trans-92.7135.2173.2-161.7-91.6000108.6V214 F218 L219 S268 Y272V214-H216 VanDerWaalsContact C-N 3.27Å; V214-H216 PolarHBondContact O-N 3.25Å; H216-F218 AromaticContact CE1-CD2 3.51Å; H216-F218 AromaticContact ND1-CD2 3.87Å; H216-F218 PolarHBondContact O-N 2.78Å; H216-L219 HydrophobicContact CB-CB 4.1Å; H216-L219 HydrophobicContact CB-CD1 3.6Å; H216-L219 HydrophobicContact CB-CG 3.8Å; H216-L219 PolarHBondContact O-N 3.43Å; H216-L219 VanDerWaalsContact O-N 3.1Å; H216-S268 PolarHBondContact CE1-OG 2.83Å; H216-S268 PolarHBondContact NE2-OG 3.08Å; H216-S268 VanDerWaalsContact NE2-OG 3.16Å; H216-Y272 HydrophobicContact CB-CD1 3.78Å; H216-Y272 HydrophobicContact CB-CE1 4.07Å; H216-Y272 HydrophobicContact CB-CG 4.13Å; H216-Y272 AromaticContact CD2-CD2 3.95Å; H216-Y272 AromaticContact CD2-CG 3.6Å
217P95.3Very high85.4Confident47 Ų4734 Ų3431%0.30517%0.169SC..THydrogen-bonded Turntrans-57.7-17.1-176.425.1-39.5000115E424 K426P217-E424 WeakPolarHBondContact CG-O 3.48Å; P217-K426 HydrophobicContact CB-CG 4.4Å; P217-K426 WeakPolarHBondContact O-CE 3.46Å
218F97.3Very high85.3Confident0 Ų034.6 Ų34.60%017%0.174CC..THydrogen-bonded Turntrans-115.815.4-174.9-50.7-44.6000113.4H216 E265 A269 H295 I296 V297 L298 L423 K426H216-F218 AromaticContact CE1-CD2 3.51Å; H216-F218 AromaticContact ND1-CD2 3.87Å; H216-F218 PolarHBondContact O-N 2.78Å; F218-E265 HydrophobicContact CD1-CB 4.25Å; F218-E265 HydrophobicContact CD1-CG 4.34Å; F218-E265 HydrophobicContact CD2-CB 3.73Å; F218-E265 HydrophobicContact CD2-CG 4.2Å; F218-E265 WeakPolarHBondContact CD2-O 3.41Å; F218-E265 HydrophobicContact CE1-CB 4.26Å; F218-E265 HydrophobicContact CE1-CG 3.88Å; F218-E265 VanDerWaalsContact CE1-OE1 3.22Å; F218-E265 WeakPolarHBondContact CE1-OE1 3.46Å; F218-E265 HydrophobicContact CE2-CB 3.79Å; F218-E265 HydrophobicContact CE2-CG 3.76Å; F218-E265 HydrophobicContact CG-CB 4.01Å; F218-E265 HydrophobicContact CZ-CB 4.05Å; F218-E265 HydrophobicContact CZ-CG 3.58Å; F218-E265 WeakPolarHBondContact CZ-OE1 3.25Å; F218-A269 HydrophobicContact CB-CB 4.07Å; F218-H295 HydrophobicContact CD1-CB 4.43Å; F218-H295 HydrophobicContact CE1-CB 4.19Å; F218-I296 WeakPolarHBondContact CA-O 3.42Å; F218-I296 HydrophobicContact CB-CD1 3.71Å; F218-I296 HydrophobicContact CB-CG1 4.34Å; F218-I296 WeakPolarHBondContact CD1-O 3.3Å; F218-I296 HydrophobicContact CG-CD1 4.38Å; F218-V297 WeakPolarHBondContact O-CA 3.29Å; F218-L298 PolarHBondContact O-N 3.49Å; F218-L423 HydrophobicContact CE2-CG 4.29Å; F218-L423 HydrophobicContact CZ-CG 4.28Å; F218-L423 WeakPolarHBondContact CZ-O 3.2Å; F218-K426 HydrophobicContact CE1-CG 4.08Å
219L95.7Very high85.1Confident8 Ų835.3 Ų35.34%0.04218%0.179CC..BIsolated β-bridgetrans-121.3138.8176-65.4178.2000108.7V214 H216 G221 A269 Y272 L273 L298 F301V214-L219 HydrophobicContact CG1-CB 3.54Å; V214-L219 HydrophobicContact CG1-CD1 3.13Å; V214-L219 HydrophobicContact CG1-CG 3.91Å; H216-L219 HydrophobicContact CB-CB 4.1Å; H216-L219 HydrophobicContact CB-CD1 3.6Å; H216-L219 HydrophobicContact CB-CG 3.8Å; H216-L219 PolarHBondContact O-N 3.43Å; H216-L219 VanDerWaalsContact O-N 3.1Å; L219-G221 PolarHBondContact O-N 3.36Å; L219-A269 HydrophobicContact CD2-CB 3.77Å; L219-A269 HydrophobicContact CG-CB 4.08Å; L219-Y272 HydrophobicContact CD1-CD1 3.69Å; L219-Y272 HydrophobicContact CD1-CE1 4.2Å; L219-L273 HydrophobicContact CD1-CD1 4.39Å; L219-L273 HydrophobicContact CD1-CD2 3.84Å; L219-L273 HydrophobicContact CD1-CG 3.87Å; L219-L273 HydrophobicContact CD2-CD1 4.23Å; L219-L298 HydrophobicContact CD2-CB 3.71Å; L219-L298 HydrophobicContact CD2-CD1 3.77Å; L219-L298 HydrophobicContact CD2-CG 3.94Å; L219-F301 HydrophobicContact CB-CZ 4.21Å; L219-F301 HydrophobicContact CD2-CE1 4.19Å; L219-F301 HydrophobicContact CD2-CZ 4Å
220V93.7Very high85Confident5 Ų538.7 Ų38.73%0.0320%0.197CC..PPolyproline II helixtrans-66.6130.8178.766.20000110.9L210 L236 D237 V297 L298 T299 F301L210-V220 HydrophobicContact CD2-CG1 4.47Å; V220-L236 HydrophobicContact CG2-CB 4Å; V220-D237 HydrophobicContact CG2-CB 4.02Å; V220-V297 HydrophobicContact CB-CG1 3.9Å; V220-L298 WeakPolarHBondContact CG1-O 3.43Å; V220-L298 PolarHBondContact N-O 2.99Å; V220-T299 HydrophobicContact CB-CG2 4.11Å; V220-T299 HydrophobicContact CG1-CG2 4.17Å; V220-F301 HydrophobicContact CG1-CD2 4.19Å; V220-F301 HydrophobicContact CG1-CE2 3.48Å; V220-F301 VanDerWaalsContact CG1-CE2 3.48Å; V220-F301 HydrophobicContact CG1-CZ 4.42Å
221G90.5Very high85.2Confident18 Ų1839 Ų3919%0.18620%0.198CC..PPolyproline II helixtrans-85.2143.9178.300000112.9L219 L236 D237L219-G221 PolarHBondContact O-N 3.36Å; G221-L236 VanDerWaalsContact O-CA 3.28Å; G221-L236 WeakPolarHBondContact O-CA 3.46Å; G221-D237 VanDerWaalsContact CA-OD2 3.22Å; G221-D237 WeakPolarHBondContact CA-OD2 3.24Å; G221-D237 PolarHBondContact N-OD2 2.87Å; G221-D237 PolarHBondContact O-N 3.18Å; G221-D237 VanDerWaalsContact O-N 3.09Å
222L90.4Very high85.7Confident20 Ų2037.2 Ų37.211%0.10519%0.189CC..EExtended strand (participates in β ladder)trans-97119.1169.1176.468000110.2L210 L211 Y224 F234 L236L210-L222 HydrophobicContact CB-CB 3.81Å; L210-L222 HydrophobicContact CB-CD2 3.65Å; L210-L222 HydrophobicContact CB-CG 4.3Å; L210-L222 HydrophobicContact CD1-CD2 4.44Å; L210-L222 HydrophobicContact CD2-CB 4.29Å; L210-L222 HydrophobicContact CG-CB 4.44Å; L211-L222 HydrophobicContact CD2-CD2 3.64Å; L211-L222 HydrophobicContact CG-CD2 3.94Å; L222-Y224 WeakPolarHBondContact CD1-O 3.47Å; L222-F234 HydrophobicContact CD1-CB 4.21Å; L222-F234 HydrophobicContact CD1-CD1 4.01Å; L222-L236 HydrophobicContact CB-CD2 4.18Å; L222-L236 HydrophobicContact CD1-CD2 3.74Å
223H87.3Confident86.5Confident53 Ų5332.5 Ų32.525%0.24517%0.168CC..EExtended strand (participates in β ladder)trans-92.1-42.9176.4-68.8-96.6000112.1Y184 V235 D237 P485Y184-H223 HydrophobicContact CD1-CB 4.44Å; Y184-H223 AromaticContact CD1-CD2 3.93Å; Y184-H223 HydrophobicContact CE1-CB 4.02Å; Y184-H223 AromaticContact CE1-CD2 3.68Å; Y184-H223 AromaticContact CE1-CE1 3.91Å; Y184-H223 AromaticContact CE1-CG 3.5Å; Y184-H223 VanDerWaalsContact CE1-CG 3.5Å; Y184-H223 AromaticContact CE1-ND1 3.64Å; Y184-H223 AromaticContact CE1-NE2 3.92Å; H223-V235 HydrophobicContact CB-CG1 4.33Å; H223-V235 PolarHBondContact N-O 3.36Å; H223-D237 IonicContact CD2-OD1 3.08Å; H223-D237 IonicContact CE1-OD1 3.8Å; H223-D237 IonicContact NE2-OD1 2.66Å; H223-D237 PolarHBondContact NE2-OD1 2.91Å; H223-P485 WeakPolarHBondContact O-CD 3.44Å; H223-P485 VanDerWaalsContact O-CG 3.31Å; H223-P485 WeakPolarHBondContact O-CG 3.38Å
224Y87.1Confident88Confident28 Ų2828 Ų2811%0.1115%0.145CC..EExtended strand (participates in β ladder)trans-145.2143.6178.8-52.7-83.6000109.1F158 R177 L222 V235 Y483 A484F158-Y224 HydrophobicContact CZ-CD2 4.09Å; F158-Y224 HydrophobicContact CZ-CE2 4.46Å; R177-Y224 PolarHBondContact NH1-OH 2.7Å; R177-Y224 PolarHBondContact NH2-OH 3.36Å; L222-Y224 WeakPolarHBondContact CD1-O 3.47Å; Y224-V235 HydrophobicContact CD2-CB 3.88Å; Y224-V235 HydrophobicContact CD2-CG1 3.84Å; Y224-V235 HydrophobicContact CD2-CG2 4.21Å; Y224-V235 HydrophobicContact CG-CB 4.38Å; Y224-V235 HydrophobicContact CG-CG2 4.47Å; Y224-V235 PolarHBondContact N-O 3.47Å; Y224-V235 PolarHBondContact O-N 3.34Å; Y224-Y483 WeakPolarHBondContact CA-O 3.39Å; Y224-A484 HydrophobicContact CD1-CB 3.83Å; Y224-A484 HydrophobicContact CE1-CB 4.11Å
225S89.4Confident89.3Confident1 Ų127.6 Ų27.61%0.00714%0.142CC..EExtended strand (participates in β ladder)trans-124.6127.9159.266.10000107.9R207 Y233 F481 S482 Y483R207-S225 PolarHBondContact NE-OG 3.3Å; S225-Y233 CarbonylContact C-O 3.57Å; S225-Y233 WeakPolarHBondContact CA-O 3.01Å; S225-F481 WeakPolarHBondContact CB-O 3.2Å; S225-F481 PolarHBondContact OG-O 3.03Å; S225-S482 CarbonylContact O-C 3.57Å; S225-S482 WeakPolarHBondContact O-CA 3.32Å; S225-Y483 PolarHBondContact N-O 3.29Å; S225-Y483 PolarHBondContact O-N 3.34Å; S225-Y483 VanDerWaalsContact O-O 3.12Å; S225-Y483 WeakPolarHBondContact OG-CB 3.49Å
226F88.3Confident90.2Very high7 Ų720.4 Ų20.43%0.03111%0.111CC..EExtended strand (participates in β ladder)trans-147.1167.8178.562.8-93000110.2A153 P155 F158 Y233 V235 F481A153-F226 HydrophobicContact CB-CB 4.34Å; A153-F226 HydrophobicContact CB-CD1 3.94Å; A153-F226 HydrophobicContact CB-CG 4.23Å; P155-F226 HydrophobicContact CG-CE2 3.94Å; F158-F226 HydrophobicContact CD2-CZ 4.41Å; F158-F226 AromaticContact CE2-CE1 3.86Å; F158-F226 HydrophobicContact CE2-CE1 3.86Å; F158-F226 HydrophobicContact CE2-CZ 4.12Å; F226-Y233 AromaticContact CD2-CD2 3.74Å; F226-Y233 HydrophobicContact CD2-CD2 3.74Å; F226-Y233 HydrophobicContact CD2-CE2 4.5Å; F226-Y233 AromaticContact CD2-CG 3.9Å; F226-Y233 HydrophobicContact CD2-CG 3.9Å; F226-Y233 HydrophobicContact CE1-CG 4.38Å; F226-Y233 AromaticContact CE2-CD1 3.79Å; F226-Y233 HydrophobicContact CE2-CD1 3.79Å; F226-Y233 AromaticContact CE2-CD2 3.46Å; F226-Y233 HydrophobicContact CE2-CD2 3.46Å; F226-Y233 VanDerWaalsContact CE2-CD2 3.46Å; F226-Y233 HydrophobicContact CE2-CE1 4.35Å; F226-Y233 HydrophobicContact CE2-CE2 4.05Å; F226-Y233 AromaticContact CE2-CG 3.33Å; F226-Y233 HydrophobicContact CE2-CG 3.33Å; F226-Y233 AromaticContact CZ-CD1 3.81Å; F226-Y233 HydrophobicContact CZ-CD1 3.81Å; F226-Y233 HydrophobicContact CZ-CD2 4.23Å; F226-Y233 AromaticContact CZ-CG 3.62Å; F226-Y233 HydrophobicContact CZ-CG 3.62Å; F226-Y233 PolarHBondContact N-O 2.85Å; F226-Y233 WeakPolarHBondContact O-CB 3.24Å; F226-Y233 PolarHBondContact O-N 2.79Å; F226-V235 HydrophobicContact CD1-CG2 4.38Å; F226-V235 HydrophobicContact CE1-CG2 3.68Å; F226-F481 VanDerWaalsContact O-CE1 3.29Å; F226-F481 WeakPolarHBondContact O-CE1 3.35Å
227Q86.7Confident90.2Very high48 Ų4822.6 Ų22.622%0.22412%0.124CC..EExtended strand (participates in β ladder)trans-136.3155.9-175.561.8-177.5-50.800111.7K191 K231 L232 F478 F481K191-Q227 VanDerWaalsContact CE-OE1 3.31Å; Q227-K231 WeakPolarHBondContact CA-O 3.26Å; Q227-L232 HydrophobicContact CB-CD2 3.6Å; Q227-F478 PolarHBondContact NE2-O 3.04Å; Q227-F481 HydrophobicContact CB-CD1 4.24Å
228T84.1Confident90.2Very high18 Ų1821.7 Ų21.711%0.1112%0.115CC..  trans-118.7179.7167.655.70000108.1P155 K191 D230 K231 Y233 T461P155-T228 HydrophobicContact CG-CG2 3.82Å; K191-T228 WeakPolarHBondContact CE-O 3.24Å; K191-T228 PolarHBondContact NZ-O 3.26Å; T228-D230 PolarHBondContact O-N 2.9Å; T228-D230 PolarHBondContact OG1-OD1 3.26Å; T228-K231 PolarHBondContact N-O 2.92Å; T228-K231 WeakPolarHBondContact OG1-CB 3.21Å; T228-K231 PolarHBondContact OG1-N 3.14Å; T228-K231 VanDerWaalsContact OG1-N 3.17Å; T228-K231 PolarHBondContact OG1-O 3.12Å; T228-Y233 HydrophobicContact CG2-CE2 3.76Å; T228-T461 HydrophobicContact CG2-CG2 3.62Å
229T79.7Confident90.1Very high52 Ų5222.3 Ų22.332%0.31912%0.119SC..SBendtrans-58-30.8178.551.30000113.2
230D83.3Confident89.9Confident70 Ų7022.3 Ų22.337%0.37412%0.119SC..SBendtrans-116.7-13.5-175.470.3-24.6000115.2K191 T228K191-D230 PolarHBondContact N-O 3.28Å; T228-D230 PolarHBondContact O-N 2.9Å; T228-D230 PolarHBondContact OG1-OD1 3.26Å
231K89.8Confident89.9Confident16 Ų1622 Ų227%0.0712%0.117CC..EExtended strand (participates in β ladder)trans-137.6151.4-171.5-61.9170.6-161.396.30114V188 L189 Q227 T228 Y233 S457V188-K231 HydrophobicContact CG1-CB 4.14Å; V188-K231 HydrophobicContact CG1-CD 3.75Å; V188-K231 HydrophobicContact CG1-CG 4.25Å; L189-K231 CarbonylContact O-C 3.56Å; L189-K231 WeakPolarHBondContact O-CA 3.19Å; L189-K231 WeakPolarHBondContact O-CB 3.42Å; Q227-K231 WeakPolarHBondContact CA-O 3.26Å; T228-K231 PolarHBondContact N-O 2.92Å; T228-K231 WeakPolarHBondContact OG1-CB 3.21Å; T228-K231 PolarHBondContact OG1-N 3.14Å; T228-K231 VanDerWaalsContact OG1-N 3.17Å; T228-K231 PolarHBondContact OG1-O 3.12Å; K231-Y233 HydrophobicContact CB-CD2 4.4Å; K231-Y233 HydrophobicContact CB-CE2 3.62Å; K231-Y233 WeakPolarHBondContact CD-OH 3.49Å; K231-S457 PolarHBondContact NZ-O 2.91Å
232L91.2Very high89.9Confident0 Ų021.3 Ų21.30%011%0.109CC..EExtended strand (participates in β ladder)trans-107.5144.7167.6-55.8178000109.5V188 L189 K191 I194 I203 Q227 F478 F481V188-L232 CarbonylContact C-O 3.47Å; V188-L232 WeakPolarHBondContact CA-O 3.28Å; L189-L232 HydrophobicContact CB-CB 4.38Å; L189-L232 PolarHBondContact N-O 3.36Å; L189-L232 PolarHBondContact O-N 2.93Å; K191-L232 HydrophobicContact CD-CD2 4.5Å; K191-L232 HydrophobicContact CG-CD2 4.2Å; K191-L232 HydrophobicContact CG-CG 4.09Å; I194-L232 HydrophobicContact CD1-CD1 3.78Å; I203-L232 HydrophobicContact CG2-CD1 3.71Å; Q227-L232 HydrophobicContact CB-CD2 3.6Å; L232-F478 HydrophobicContact CD1-CD1 3.64Å; L232-F478 HydrophobicContact CD1-CD2 4.44Å; L232-F478 HydrophobicContact CD1-CE1 3.68Å; L232-F478 HydrophobicContact CD1-CG 4.05Å; L232-F478 HydrophobicContact CD1-CZ 4.15Å; L232-F478 HydrophobicContact CD2-CB 4.06Å; L232-F478 HydrophobicContact CD2-CD1 4.37Å; L232-F478 HydrophobicContact CD2-CD2 4.28Å; L232-F478 HydrophobicContact CD2-CG 3.98Å; L232-F481 HydrophobicContact CB-CE1 3.91Å; L232-F481 HydrophobicContact CB-CE2 4.27Å; L232-F481 HydrophobicContact CB-CZ 3.77Å; L232-F481 HydrophobicContact CD1-CD2 4.24Å; L232-F481 HydrophobicContact CD1-CE2 4.01Å; L232-F481 HydrophobicContact CD1-CZ 4.36Å; L232-F481 HydrophobicContact CD2-CD1 3.95Å; L232-F481 HydrophobicContact CD2-CD2 4.31Å; L232-F481 HydrophobicContact CD2-CE1 4.17Å; L232-F481 HydrophobicContact CD2-CG 4.05Å; L232-F481 HydrophobicContact CD2-CZ 4.45Å; L232-F481 HydrophobicContact CG-CE2 4.5Å; L232-F481 HydrophobicContact CG-CZ 4.42Å
233Y92.6Very high90Very high2 Ų223.9 Ų23.91%0.00812%0.121CC..EExtended strand (participates in β ladder)trans-128124.4-177.9-62.4-104.2000109.4P155 F160 V186 K187 V188 S225 F226 T228 K231 I458 F481P155-Y233 HydrophobicContact CB-CE1 4.29Å; P155-Y233 HydrophobicContact CG-CE1 4.06Å; P155-Y233 HydrophobicContact CG-CE2 4.08Å; F160-Y233 HydrophobicContact CZ-CE1 4.28Å; V186-Y233 HydrophobicContact CG1-CD1 4Å; K187-Y233 WeakPolarHBondContact O-CA 3.47Å; V188-Y233 HydrophobicContact CB-CD1 4.4Å; V188-Y233 HydrophobicContact CB-CE1 4.35Å; V188-Y233 HydrophobicContact CG1-CD1 4.14Å; V188-Y233 HydrophobicContact CG1-CE1 3.73Å; V188-Y233 HydrophobicContact CG2-CD1 3.63Å; V188-Y233 HydrophobicContact CG2-CE1 3.68Å; S225-Y233 CarbonylContact C-O 3.57Å; S225-Y233 WeakPolarHBondContact CA-O 3.01Å; F226-Y233 AromaticContact CD2-CD2 3.74Å; F226-Y233 HydrophobicContact CD2-CD2 3.74Å; F226-Y233 HydrophobicContact CD2-CE2 4.5Å; F226-Y233 AromaticContact CD2-CG 3.9Å; F226-Y233 HydrophobicContact CD2-CG 3.9Å; F226-Y233 HydrophobicContact CE1-CG 4.38Å; F226-Y233 AromaticContact CE2-CD1 3.79Å; F226-Y233 HydrophobicContact CE2-CD1 3.79Å; F226-Y233 AromaticContact CE2-CD2 3.46Å; F226-Y233 HydrophobicContact CE2-CD2 3.46Å; F226-Y233 VanDerWaalsContact CE2-CD2 3.46Å; F226-Y233 HydrophobicContact CE2-CE1 4.35Å; F226-Y233 HydrophobicContact CE2-CE2 4.05Å; F226-Y233 AromaticContact CE2-CG 3.33Å; F226-Y233 HydrophobicContact CE2-CG 3.33Å; F226-Y233 AromaticContact CZ-CD1 3.81Å; F226-Y233 HydrophobicContact CZ-CD1 3.81Å; F226-Y233 HydrophobicContact CZ-CD2 4.23Å; F226-Y233 AromaticContact CZ-CG 3.62Å; F226-Y233 HydrophobicContact CZ-CG 3.62Å; F226-Y233 PolarHBondContact N-O 2.85Å; F226-Y233 WeakPolarHBondContact O-CB 3.24Å; F226-Y233 PolarHBondContact O-N 2.79Å; T228-Y233 HydrophobicContact CG2-CE2 3.76Å; K231-Y233 HydrophobicContact CB-CD2 4.4Å; K231-Y233 HydrophobicContact CB-CE2 3.62Å; K231-Y233 WeakPolarHBondContact CD-OH 3.49Å; Y233-I458 HydrophobicContact CE1-CG2 4.49Å; Y233-I458 PolarHBondContact OH-O 2.74Å; Y233-I458 VanDerWaalsContact OH-O 3.09Å; Y233-F481 WeakPolarHBondContact O-CE1 3.29Å
234F92.6Very high90.4Very high0 Ų021.4 Ų21.40%011%0.109CC..EExtended strand (participates in β ladder)trans-107.1123.4162.8-62.5-99.1000108.2V186 K187 L189 I203 R207 L210 L222 L236 F481V186-F234 CarbonylContact C-O 3.57Å; V186-F234 VanDerWaalsContact CA-O 3.28Å; V186-F234 WeakPolarHBondContact CA-O 3.38Å; K187-F234 HydrophobicContact CB-CB 4.22Å; K187-F234 PolarHBondContact N-O 3.2Å; K187-F234 PolarHBondContact O-N 2.89Å; L189-F234 HydrophobicContact CD1-CD2 4.32Å; L189-F234 HydrophobicContact CD1-CE2 3.78Å; I203-F234 HydrophobicContact CG2-CE2 4.17Å; I203-F234 HydrophobicContact CG2-CZ 4.07Å; R207-F234 HydrophobicContact CB-CE1 3.66Å; R207-F234 HydrophobicContact CB-CZ 4.1Å; R207-F234 HydrophobicContact CG-CE1 4.11Å; L210-F234 HydrophobicContact CD1-CD1 3.95Å; L210-F234 HydrophobicContact CD1-CE1 4.12Å; L222-F234 HydrophobicContact CD1-CB 4.21Å; L222-F234 HydrophobicContact CD1-CD1 4.01Å; F234-L236 HydrophobicContact CB-CD2 4.27Å; F234-L236 HydrophobicContact CB-CG 4.21Å; F234-F481 HydrophobicContact CD1-CZ 4.28Å; F234-F481 AromaticContact CD2-CZ 3.92Å; F234-F481 HydrophobicContact CD2-CZ 3.92Å; F234-F481 AromaticContact CE1-CE2 3.96Å; F234-F481 HydrophobicContact CE1-CE2 3.96Å; F234-F481 AromaticContact CE1-CZ 3.92Å; F234-F481 HydrophobicContact CE1-CZ 3.92Å; F234-F481 AromaticContact CE2-CE2 3.75Å; F234-F481 HydrophobicContact CE2-CE2 3.75Å; F234-F481 AromaticContact CE2-CZ 3.52Å; F234-F481 HydrophobicContact CE2-CZ 3.52Å; F234-F481 HydrophobicContact CG-CZ 4.29Å; F234-F481 AromaticContact CZ-CE2 3.41Å; F234-F481 HydrophobicContact CZ-CE2 3.41Å; F234-F481 VanDerWaalsContact CZ-CE2 3.41Å; F234-F481 AromaticContact CZ-CZ 3.54Å; F234-F481 HydrophobicContact CZ-CZ 3.54Å
235V92.9Very high90.6Very high0 Ų023.2 Ų23.20%012%0.118CC..EExtended strand (participates in β ladder)trans-101.7106.9174.5-174.50000107.5F158 Y184 V186 H223 Y224 F226F158-V235 HydrophobicContact CE1-CG1 3.85Å; F158-V235 HydrophobicContact CE1-CG2 4.28Å; F158-V235 HydrophobicContact CE2-CG2 4.32Å; F158-V235 HydrophobicContact CZ-CG1 4.1Å; F158-V235 HydrophobicContact CZ-CG2 3.85Å; Y184-V235 HydrophobicContact CD1-CG1 3.63Å; Y184-V235 HydrophobicContact CD2-CG1 4.3Å; Y184-V235 HydrophobicContact CE1-CG1 4.35Å; Y184-V235 HydrophobicContact CG-CG1 3.58Å; V186-V235 HydrophobicContact CG1-CG2 4.36Å; V186-V235 HydrophobicContact CG2-CG1 4.32Å; V186-V235 HydrophobicContact CG2-CG2 4.28Å; H223-V235 HydrophobicContact CB-CG1 4.33Å; H223-V235 PolarHBondContact N-O 3.36Å; Y224-V235 HydrophobicContact CD2-CB 3.88Å; Y224-V235 HydrophobicContact CD2-CG1 3.84Å; Y224-V235 HydrophobicContact CD2-CG2 4.21Å; Y224-V235 HydrophobicContact CG-CB 4.38Å; Y224-V235 HydrophobicContact CG-CG2 4.47Å; Y224-V235 PolarHBondContact N-O 3.47Å; Y224-V235 PolarHBondContact O-N 3.34Å; F226-V235 HydrophobicContact CD1-CG2 4.38Å; F226-V235 HydrophobicContact CE1-CG2 3.68Å
236L93.8Very high90.5Very high21 Ų2127.4 Ų27.411%0.1114%0.136CC..EExtended strand (participates in β ladder)trans-111.5165.2-172.4-55.8172.9000110.7A185 L210 V220 G221 L222 F234 F238A185-L236 HydrophobicContact CB-CB 4.43Å; A185-L236 PolarHBondContact N-O 3.01Å; A185-L236 WeakPolarHBondContact O-CB 3.15Å; A185-L236 PolarHBondContact O-N 3.25Å; L210-L236 HydrophobicContact CD1-CD2 4.06Å; L210-L236 HydrophobicContact CD2-CD2 4.34Å; V220-L236 HydrophobicContact CG2-CB 4Å; G221-L236 VanDerWaalsContact O-CA 3.28Å; G221-L236 WeakPolarHBondContact O-CA 3.46Å; L222-L236 HydrophobicContact CB-CD2 4.18Å; L222-L236 HydrophobicContact CD1-CD2 3.74Å; F234-L236 HydrophobicContact CB-CD2 4.27Å; F234-L236 HydrophobicContact CB-CG 4.21Å; L236-F238 PolarHBondContact O-N 2.97Å
237D93.1Very high90.7Very high60 Ų6027.1 Ų27.132%0.32114%0.135SC..EExtended strand (participates in β ladder)trans-53.2137.4167.8-66.6-46000111V220 G221 H223 V239V220-D237 HydrophobicContact CG2-CB 4.02Å; G221-D237 VanDerWaalsContact CA-OD2 3.22Å; G221-D237 WeakPolarHBondContact CA-OD2 3.24Å; G221-D237 PolarHBondContact N-OD2 2.87Å; G221-D237 PolarHBondContact O-N 3.18Å; G221-D237 VanDerWaalsContact O-N 3.09Å; H223-D237 IonicContact CD2-OD1 3.08Å; H223-D237 IonicContact CE1-OD1 3.8Å; H223-D237 IonicContact NE2-OD1 2.66Å; H223-D237 PolarHBondContact NE2-OD1 2.91Å; D237-V239 HydrophobicContact CB-CG2 4.41Å
238F94.9Very high91Very high29 Ų2924.9 Ų24.913%0.12713%0.125CC..  trans-87.4116.9170.1179.8-122.5000110I164 L174 A185 L236 N240 S439 I442 F445I164-F238 HydrophobicContact CD1-CD2 4.05Å; I164-F238 HydrophobicContact CD1-CE2 3.88Å; L174-F238 HydrophobicContact CD1-CD1 3.82Å; L174-F238 HydrophobicContact CD1-CD2 3.82Å; L174-F238 HydrophobicContact CD1-CE1 3.78Å; L174-F238 HydrophobicContact CD1-CE2 3.8Å; L174-F238 HydrophobicContact CD1-CG 3.85Å; L174-F238 HydrophobicContact CD1-CZ 3.79Å; L174-F238 HydrophobicContact CD2-CZ 4.23Å; L174-F238 HydrophobicContact CG-CZ 4.5Å; A185-F238 HydrophobicContact CB-CD2 4.46Å; L236-F238 PolarHBondContact O-N 2.97Å; F238-N240 HydrophobicContact CD1-CB 4.29Å; F238-N240 HydrophobicContact CE1-CB 3.6Å; F238-N240 HydrophobicContact CE2-CB 4.49Å; F238-N240 HydrophobicContact CZ-CB 3.7Å; F238-S439 WeakPolarHBondContact CD1-O 3.48Å; F238-S439 VanDerWaalsContact CE1-O 3.3Å; F238-S439 WeakPolarHBondContact CE1-O 3.16Å; F238-I442 HydrophobicContact CZ-CG2 4.22Å; F238-F445 HydrophobicContact CD2-CZ 4.49Å; F238-F445 HydrophobicContact CE2-CE1 4.48Å; F238-F445 AromaticContact CE2-CE2 3.9Å; F238-F445 HydrophobicContact CE2-CE2 3.9Å; F238-F445 AromaticContact CE2-CZ 3.53Å; F238-F445 HydrophobicContact CE2-CZ 3.53Å; F238-F445 AromaticContact CZ-CE2 3.92Å; F238-F445 HydrophobicContact CZ-CE2 3.92Å; F238-F445 HydrophobicContact CZ-CZ 4.04Å
239V94.2Very high91.2Very high12 Ų1228.8 Ų28.87%0.07314%0.142CC..  trans-115.6115.2-178.2-175.50000108.5D237 L289 L290 D291 V297 F445D237-V239 HydrophobicContact CB-CG2 4.41Å; V239-L289 HydrophobicContact CB-CB 4.16Å; V239-L289 HydrophobicContact CB-CD1 3.84Å; V239-L289 HydrophobicContact CG1-CB 3.56Å; V239-L289 HydrophobicContact CG1-CD1 4.19Å; V239-L290 VanDerWaalsContact CG1-C 3.5Å; V239-L290 WeakPolarHBondContact CG1-O 3.32Å; V239-D291 HydrophobicContact CG1-CB 4.27Å; V239-V297 HydrophobicContact CG1-CB 4.33Å; V239-V297 HydrophobicContact CG1-CG2 4.16Å; V239-V297 HydrophobicContact CG2-CB 4.22Å; V239-V297 HydrophobicContact CG2-CG1 4.11Å; V239-V297 HydrophobicContact CG2-CG2 4.19Å; V239-F445 WeakPolarHBondContact O-CZ 3.4Å
240N92.3Very high91.6Very high8 Ų833 Ų334%0.04315%0.152CC..  trans-115.15.1-162.565.6-13000115.8F238 G242 H292 V436 C438 D441 N444 F445F238-N240 HydrophobicContact CD1-CB 4.29Å; F238-N240 HydrophobicContact CE1-CB 3.6Å; F238-N240 HydrophobicContact CE2-CB 4.49Å; F238-N240 HydrophobicContact CZ-CB 3.7Å; N240-G242 PolarHBondContact O-N 2.61Å; N240-H292 WeakPolarHBondContact OD1-CB 3.3Å; N240-V436 WeakPolarHBondContact ND2-CG1 3.2Å; N240-C438 PolarHBondContact ND2-O 2.92Å; N240-D441 WeakPolarHBondContact CB-O 3.27Å; N240-N444 PolarHBondContact O-ND2 3.08Å; N240-F445 HydrophobicContact CB-CE2 4.35Å
241G92.9Very high92.1Very high0 Ų032.9 Ų32.90%015%0.149CC..SBendtrans-77.3-7.4171.900000113.6H247 L290G241-H247 PolarHBondContact O-NE2 3.23Å; G241-L290 CarbonylContact C-O 3.55Å; G241-L290 WeakPolarHBondContact CA-O 3.37Å; G241-L290 PolarHBondContact N-O 2.75Å
242G91.6Very high92.2Very high2 Ų241.7 Ų41.72%0.02118%0.182CC..  trans84.2175.1177.400000114N240 L289 L290N240-G242 PolarHBondContact O-N 2.61Å; G242-L289 CarbonylContact O-C 3.49Å; G242-L289 WeakPolarHBondContact O-CA 3.42Å; G242-L290 PolarHBondContact O-N 3Å
243E91.9Very high92.5Very high75 Ų7544.6 Ų44.635%0.3520%0.2SC..BIsolated β-bridgetrans-69.6141.1-179.5-63.8169.2-16400111.7F245 F246 H247 L289E243-F245 HydrophobicContact CB-CB 4.25Å; E243-F245 PolarHBondContact O-N 3.43Å; E243-F246 HydrophobicContact CB-CB 4.47Å; E243-F246 WeakPolarHBondContact O-CB 3.34Å; E243-F246 PolarHBondContact O-N 2.69Å; E243-H247 PolarHBondContact O-CD2 3.47Å; E243-H247 PolarHBondContact O-N 2.85Å; E243-L289 HydrophobicContact CB-CD2 4.21Å; E243-L289 HydrophobicContact CG-CD2 3.58Å
244L95.1Very high92.7Very high0 Ų044.8 Ų44.80%020%0.201CC..Hα-helixtrans-57.7-36.2171.7-171.171.1000110.5F246 H247 L248 F254 Y262 M266 P285 I288 L290 M350L244-F246 VanDerWaalsContact C-N 3.34Å; L244-F246 PolarHBondContact O-N 3.42Å; L244-H247 PolarHBondContact O-N 2.72Å; L244-L248 WeakPolarHBondContact O-CB 3.42Å; L244-L248 PolarHBondContact O-N 3.49Å; L244-F254 HydrophobicContact CD1-CE2 3.68Å; L244-F254 HydrophobicContact CD1-CZ 4.16Å; L244-F254 HydrophobicContact CG-CE2 4.2Å; L244-Y262 HydrophobicContact CD1-CD2 3.81Å; L244-Y262 HydrophobicContact CD1-CE2 3.71Å; L244-M266 HydrophobicContact CD2-CE 3.67Å; L244-P285 HydrophobicContact CB-CB 4.43Å; L244-P285 PolarHBondContact N-O 3.05Å; L244-I288 HydrophobicContact CB-CB 4Å; L244-I288 HydrophobicContact CB-CG2 4.03Å; L244-I288 WeakPolarHBondContact CB-O 3.47Å; L244-I288 HydrophobicContact CD2-CB 4.3Å; L244-I288 HydrophobicContact CD2-CD1 4.13Å; L244-I288 HydrophobicContact CD2-CG2 4.04Å; L244-I288 PolarHBondContact N-O 3.09Å; L244-L290 HydrophobicContact CD1-CD2 4.32Å; L244-M350 HydrophobicContact CD2-SD 4.09Å
245F92Very high93Very high66 Ų6648.5 Ų48.529%0.28922%0.224SC..Hα-helixtrans-51-50.3172.4-177.4-103.5000112.1E243 H247 L248 Q249 P285 E286E243-F245 HydrophobicContact CB-CB 4.25Å; E243-F245 PolarHBondContact O-N 3.43Å; F245-H247 PolarHBondContact O-N 2.95Å; F245-L248 PolarHBondContact O-N 2.79Å; F245-Q249 HydrophobicContact CD1-CG 4.1Å; F245-Q249 HydrophobicContact CD2-CG 4.23Å; F245-Q249 HydrophobicContact CE1-CG 3.71Å; F245-Q249 HydrophobicContact CE2-CG 3.86Å; F245-Q249 HydrophobicContact CG-CG 4.34Å; F245-Q249 HydrophobicContact CZ-CG 3.58Å; F245-Q249 WeakPolarHBondContact O-CB 3.32Å; F245-Q249 VanDerWaalsContact O-CG 3.29Å; F245-Q249 WeakPolarHBondContact O-CG 3.47Å; F245-Q249 PolarHBondContact O-N 2.79Å; F245-P285 HydrophobicContact CB-CB 3.79Å; F245-P285 HydrophobicContact CD2-CB 4.27Å; F245-P285 PolarHBondContact N-O 3.34Å; F245-P285 VanDerWaalsContact N-O 3.08Å; F245-E286 HydrophobicContact CB-CG 4.04Å; F245-E286 HydrophobicContact CD1-CG 4.47Å; F245-E286 HydrophobicContact CD2-CG 4.21Å; F245-E286 HydrophobicContact CG-CG 3.99Å
246F88.6Confident93.2Very high89 Ų8950.5 Ų50.539%0.3923%0.234SC..Hα-helixtrans-59.5-46.2-179.5172.1-98.7000112E243 L244 R250E243-F246 HydrophobicContact CB-CB 4.47Å; E243-F246 WeakPolarHBondContact O-CB 3.34Å; E243-F246 PolarHBondContact O-N 2.69Å; L244-F246 VanDerWaalsContact C-N 3.34Å; L244-F246 PolarHBondContact O-N 3.42Å; F246-R250 PolarHBondContact O-N 3.17Å; F246-R250 VanDerWaalsContact O-N 3.14Å
247H91.1Very high93.4Very high1 Ų153.4 Ų53.41%0.00526%0.256CS..Hα-helixtrans-65.5-41.7178.6-65.9-70.6000111.8G241 E243 L244 F245 R250 E251 F254 F432G241-H247 PolarHBondContact O-NE2 3.23Å; E243-H247 PolarHBondContact O-CD2 3.47Å; E243-H247 PolarHBondContact O-N 2.85Å; L244-H247 PolarHBondContact O-N 2.72Å; F245-H247 PolarHBondContact O-N 2.95Å; H247-R250 PolarHBondContact O-N 3.26Å; H247-E251 PolarHBondContact O-N 3.07Å; H247-F254 HydrophobicContact CB-CE1 4.32Å; H247-F254 HydrophobicContact CB-CZ 3.93Å; H247-F432 AromaticContact CE1-CE1 3.68Å; H247-F432 AromaticContact CE1-CZ 3.68Å; H247-F432 AromaticContact ND1-CE1 3.68Å; H247-F432 AromaticContact ND1-CZ 3.5Å
248L92.8Very high93.7Very high2 Ų251.1 Ų51.11%0.0124%0.243CC..Hα-helixtrans-67.2-41.2179.5-175.756.3000111.8L244 F245 R250 E251 R252 F254 E349 M350L244-L248 WeakPolarHBondContact O-CB 3.42Å; L244-L248 PolarHBondContact O-N 3.49Å; F245-L248 PolarHBondContact O-N 2.79Å; L248-R250 VanDerWaalsContact C-N 3.3Å; L248-R250 PolarHBondContact O-N 3.3Å; L248-E251 PolarHBondContact O-N 2.62Å; L248-R252 CarbonylContact O-C 3.49Å; L248-R252 WeakPolarHBondContact O-CA 3.35Å; L248-R252 PolarHBondContact O-N 3.2Å; L248-F254 HydrophobicContact CB-CE1 4.34Å; L248-F254 HydrophobicContact CB-CE2 4.12Å; L248-F254 HydrophobicContact CB-CZ 3.76Å; L248-F254 HydrophobicContact CD1-CD1 4.25Å; L248-F254 HydrophobicContact CD1-CD2 4.17Å; L248-F254 HydrophobicContact CD1-CE1 4.19Å; L248-F254 HydrophobicContact CD1-CE2 4.09Å; L248-F254 HydrophobicContact CD1-CG 4.24Å; L248-F254 HydrophobicContact CD1-CZ 4.11Å; L248-E349 HydrophobicContact CD2-CB 4.45Å; L248-E349 HydrophobicContact CD2-CG 3.8Å; L248-M350 HydrophobicContact CD2-CG 4.29Å
249Q88.6Confident93.8Very high99 Ų9949.7 Ų49.746%0.46324%0.237SC..Hα-helixtrans-62.2-38.4175.4-72-58.8-46.200112.1F245F245-Q249 HydrophobicContact CD1-CG 4.1Å; F245-Q249 HydrophobicContact CD2-CG 4.23Å; F245-Q249 HydrophobicContact CE1-CG 3.71Å; F245-Q249 HydrophobicContact CE2-CG 3.86Å; F245-Q249 HydrophobicContact CG-CG 4.34Å; F245-Q249 HydrophobicContact CZ-CG 3.58Å; F245-Q249 WeakPolarHBondContact O-CB 3.32Å; F245-Q249 VanDerWaalsContact O-CG 3.29Å; F245-Q249 WeakPolarHBondContact O-CG 3.47Å; F245-Q249 PolarHBondContact O-N 2.79Å
250R88.4Confident94.1Very high142 Ų14250.8 Ų50.854%0.53624%0.241SC..Hα-helixtrans-68.8-42.7178.5-17118067.8-170.6-3.6112.3F246 H247 L248F246-R250 PolarHBondContact O-N 3.17Å; F246-R250 VanDerWaalsContact O-N 3.14Å; H247-R250 PolarHBondContact O-N 3.26Å; L248-R250 VanDerWaalsContact C-N 3.3Å; L248-R250 PolarHBondContact O-N 3.3Å
251E93Very high94.4Very high67 Ų6751 Ų5131%0.31324%0.241SC..Hα-helixtrans-91.4-11.8-176.2-67.6177.5-132.100113.6H247 L248 T253 F254 R258H247-E251 PolarHBondContact O-N 3.07Å; L248-E251 PolarHBondContact O-N 2.62Å; E251-T253 PolarHBondContact O-N 2.94Å; E251-F254 HydrophobicContact CB-CD1 4.29Å; E251-F254 HydrophobicContact CB-CE1 4.13Å; E251-R258 IonicContact OE1-CZ 3.89Å; E251-R258 IonicContact OE1-NH1 3.95Å; E251-R258 PolarHBondContact OE1-NH1 3.16Å; E251-R258 IonicContact OE1-NH2 3.01Å; E251-R258 IonicContact OE2-NH1 3.13Å; E251-R258 PolarHBondContact OE2-NH1 2.93Å
252R92.6Very high94.6Very high200 Ų20051 Ų5176%0.75524%0.241SC*.SBendtrans66.2-40-173.9-52.8-179.9179.2171.52.9115.1L248 G353L248-R252 CarbonylContact O-C 3.49Å; L248-R252 WeakPolarHBondContact O-CA 3.35Å; L248-R252 PolarHBondContact O-N 3.2Å; R252-G353 WeakPolarHBondContact O-CA 3.45Å
253T96.8Very high95Very high62 Ų6250.9 Ų50.938%0.3824%0.24SC..SBendtrans-150.5149.5178.854.30000108.9E251 M350E251-T253 PolarHBondContact O-N 2.94Å; T253-M350 CarbonylContact C-O 3.45Å; T253-M350 WeakPolarHBondContact CA-O 3.46Å
254F98.1Very high95.3Very high6 Ų647.3 Ų47.33%0.02622%0.223CC..  trans-98.2149.1170.6-62.4-30.5000111.9L244 H247 L248 E251 R258 Y262 M350L244-F254 HydrophobicContact CD1-CE2 3.68Å; L244-F254 HydrophobicContact CD1-CZ 4.16Å; L244-F254 HydrophobicContact CG-CE2 4.2Å; H247-F254 HydrophobicContact CB-CE1 4.32Å; H247-F254 HydrophobicContact CB-CZ 3.93Å; L248-F254 HydrophobicContact CB-CE1 4.34Å; L248-F254 HydrophobicContact CB-CE2 4.12Å; L248-F254 HydrophobicContact CB-CZ 3.76Å; L248-F254 HydrophobicContact CD1-CD1 4.25Å; L248-F254 HydrophobicContact CD1-CD2 4.17Å; L248-F254 HydrophobicContact CD1-CE1 4.19Å; L248-F254 HydrophobicContact CD1-CE2 4.09Å; L248-F254 HydrophobicContact CD1-CG 4.24Å; L248-F254 HydrophobicContact CD1-CZ 4.11Å; E251-F254 HydrophobicContact CB-CD1 4.29Å; E251-F254 HydrophobicContact CB-CE1 4.13Å; F254-R258 HydrophobicContact CB-CB 4.29Å; F254-R258 HydrophobicContact CB-CG 4.2Å; F254-R258 HydrophobicContact CD2-CG 4.42Å; F254-R258 HydrophobicContact CG-CG 4.27Å; F254-Y262 HydrophobicContact CD2-CD2 4.42Å; F254-Y262 HydrophobicContact CD2-CE2 4.37Å; F254-Y262 HydrophobicContact CE2-CD2 4.41Å; F254-Y262 HydrophobicContact CE2-CE2 4.18Å; F254-M350 HydrophobicContact CD2-CB 4Å; F254-M350 HydrophobicContact CD2-CG 3.69Å; F254-M350 HydrophobicContact CD2-SD 3.69Å; F254-M350 HydrophobicContact CE2-CG 4.06Å; F254-M350 HydrophobicContact CE2-SD 4.04Å; F254-M350 PolarHBondContact N-O 2.66Å
255P97.8Very high95.5Very high77 Ų7747.3 Ų47.350%0.522%0.223SC..  trans-56.7146.5165.5-22.433.2000111.3S257 R258 A259P255-S257 PolarHBondContact O-N 3.23Å; P255-S257 VanDerWaalsContact O-N 3.15Å; P255-R258 WeakPolarHBondContact O-CA 3.47Å; P255-R258 WeakPolarHBondContact O-CB 3.39Å; P255-R258 PolarHBondContact O-N 3.37Å; P255-A259 PolarHBondContact O-N 2.86Å
256E98.2Very high95.8Very high42 Ų4244.1 Ų44.120%0.19621%0.209CC..Hα-helixtrans-56.6-34.8-178.3-175.2179.2131.700113R258 A259 K260 L351 S381 A384 F414E256-R258 VanDerWaalsContact C-N 3.33Å; E256-R258 PolarHBondContact O-N 3.33Å; E256-A259 PolarHBondContact O-N 3.29Å; E256-K260 WeakPolarHBondContact O-CB 3.4Å; E256-K260 PolarHBondContact O-N 3.38Å; E256-L351 HydrophobicContact CB-CD2 4.05Å; E256-L351 HydrophobicContact CG-CD2 4.27Å; E256-S381 VanDerWaalsContact CD-OG 3.28Å; E256-S381 VanDerWaalsContact OE1-CB 3.32Å; E256-S381 WeakPolarHBondContact OE1-CB 3.3Å; E256-S381 PolarHBondContact OE1-OG 3.24Å; E256-S381 WeakPolarHBondContact OE2-CB 3.16Å; E256-S381 PolarHBondContact OE2-N 3Å; E256-S381 PolarHBondContact OE2-OG 2.96Å; E256-A384 HydrophobicContact CG-CB 4.48Å; E256-F414 HydrophobicContact CG-CE2 3.84Å; E256-F414 HydrophobicContact CG-CZ 4.21Å
257S97.8Very high96.3Very high83 Ų8339.9 Ų39.958%0.5819%0.191SC*.Hα-helixtrans-62.1-39.3175.452.80000112.6P255 F261P255-S257 PolarHBondContact O-N 3.23Å; P255-S257 VanDerWaalsContact O-N 3.15Å; S257-F261 PolarHBondContact O-N 3.08Å
258R98.3Very high96.7Very high11 Ų1140 Ų404%0.04219%0.191CC..Hα-helixtrans-70.4-46.2176178.3171.6-174-167.3-2.5111.4E251 F254 P255 E256 K260 F261 Y262 P431 F432E251-R258 IonicContact OE1-CZ 3.89Å; E251-R258 IonicContact OE1-NH1 3.95Å; E251-R258 PolarHBondContact OE1-NH1 3.16Å; E251-R258 IonicContact OE1-NH2 3.01Å; E251-R258 IonicContact OE2-NH1 3.13Å; E251-R258 PolarHBondContact OE2-NH1 2.93Å; F254-R258 HydrophobicContact CB-CB 4.29Å; F254-R258 HydrophobicContact CB-CG 4.2Å; F254-R258 HydrophobicContact CD2-CG 4.42Å; F254-R258 HydrophobicContact CG-CG 4.27Å; P255-R258 WeakPolarHBondContact O-CA 3.47Å; P255-R258 WeakPolarHBondContact O-CB 3.39Å; P255-R258 PolarHBondContact O-N 3.37Å; E256-R258 VanDerWaalsContact C-N 3.33Å; E256-R258 PolarHBondContact O-N 3.33Å; R258-K260 VanDerWaalsContact C-N 3.32Å; R258-K260 PolarHBondContact O-N 2.7Å; R258-F261 PolarHBondContact O-N 3.28Å; R258-Y262 HydrophobicContact CG-CD2 4Å; R258-Y262 HydrophobicContact CG-CE2 3.52Å; R258-Y262 VanDerWaalsContact NE-CE2 3.27Å; R258-Y262 PolarHBondContact NE-OH 2.77Å; R258-Y262 VanDerWaalsContact NE-OH 3.14Å; R258-Y262 PolarHBondContact NH2-OH 3.02Å; R258-Y262 PolarHBondContact O-N 3.24Å; R258-Y262 VanDerWaalsContact O-N 3.15Å; R258-P431 HydrophobicContact CB-CB 4.22Å; R258-P431 HydrophobicContact CB-CG 4Å; R258-P431 HydrophobicContact CG-CB 4.47Å; R258-P431 HydrophobicContact CG-CG 3.9Å; R258-F432 VanDerWaalsContact CZ-CG 3.46Å
259A98.6Very high96.9Very high0 Ų039.9 Ų39.90%019%0.191CC..Hα-helixtrans-59.1-43.5175.300000111.5P255 E256 F261 Y262 I263 L347 M350 L351P255-A259 PolarHBondContact O-N 2.86Å; E256-A259 PolarHBondContact O-N 3.29Å; A259-F261 PolarHBondContact O-N 3.38Å; A259-Y262 PolarHBondContact O-N 3.44Å; A259-I263 WeakPolarHBondContact O-CB 3.15Å; A259-I263 VanDerWaalsContact O-CG1 3.28Å; A259-I263 WeakPolarHBondContact O-CG1 3.26Å; A259-I263 PolarHBondContact O-N 3.08Å; A259-L347 HydrophobicContact CB-CD1 4.02Å; A259-M350 HydrophobicContact CB-CB 4Å; A259-M350 HydrophobicContact CB-CE 4.04Å; A259-M350 HydrophobicContact CB-SD 4.37Å; A259-L351 HydrophobicContact CB-CD2 3.96Å; A259-L351 HydrophobicContact CB-CG 4.42Å
260K98.8Very high97.3Very high35 Ų3535.1 Ų35.115%0.15217%0.169CC..Hα-helixtrans-58.4-46.6177-178.7-179.5-56.4-162.60112.6E256 R258 A264 F414 F415 I418E256-K260 WeakPolarHBondContact O-CB 3.4Å; E256-K260 PolarHBondContact O-N 3.38Å; R258-K260 VanDerWaalsContact C-N 3.32Å; R258-K260 PolarHBondContact O-N 2.7Å; K260-A264 WeakPolarHBondContact O-CB 3.37Å; K260-A264 PolarHBondContact O-N 3.31Å; K260-F414 HydrophobicContact CB-CE1 3.7Å; K260-F414 HydrophobicContact CB-CE2 4.44Å; K260-F414 HydrophobicContact CB-CZ 3.59Å; K260-F414 HydrophobicContact CD-CE1 4.46Å; K260-F414 VanDerWaalsContact CD-O 3.32Å; K260-F414 WeakPolarHBondContact CD-O 3.35Å; K260-F414 WeakPolarHBondContact CE-O 3.46Å; K260-F414 HydrophobicContact CG-CD1 4.12Å; K260-F414 HydrophobicContact CG-CE1 3.64Å; K260-F414 HydrophobicContact CG-CZ 3.93Å; K260-F414 PolarHBondContact NZ-O 2.9Å; K260-F415 HydrophobicContact CG-CD1 4.28Å; K260-I418 HydrophobicContact CD-CG1 4.47Å; K260-I418 HydrophobicContact CG-CG1 4.47Å
261F98.8Very high97.7Very high11 Ų1128.7 Ų28.75%0.04815%0.147CC..Hα-helixtrans-59.1-53.2178.7179.9-93.3000110.8S257 R258 A259 I263 A264 E265 H295 L423 I428 P430 P431S257-F261 PolarHBondContact O-N 3.08Å; R258-F261 PolarHBondContact O-N 3.28Å; A259-F261 PolarHBondContact O-N 3.38Å; F261-I263 PolarHBondContact O-N 2.86Å; F261-A264 WeakPolarHBondContact O-CB 3.41Å; F261-A264 PolarHBondContact O-N 3.39Å; F261-E265 VanDerWaalsContact CE1-CD 3.45Å; F261-E265 HydrophobicContact CE1-CG 4.33Å; F261-E265 VanDerWaalsContact CE1-OE1 3.26Å; F261-E265 WeakPolarHBondContact CE1-OE1 3.45Å; F261-E265 HydrophobicContact CZ-CG 4.5Å; F261-E265 WeakPolarHBondContact CZ-OE1 3.41Å; F261-E265 PolarHBondContact O-N 3.33Å; F261-E265 VanDerWaalsContact O-N 3.16Å; F261-H295 AromaticContact CZ-CE1 3.93Å; F261-H295 AromaticContact CZ-ND1 3.71Å; F261-L423 HydrophobicContact CD2-CD1 4.26Å; F261-L423 HydrophobicContact CE2-CD1 3.97Å; F261-I428 HydrophobicContact CD2-CG2 4.02Å; F261-I428 HydrophobicContact CE2-CB 4.04Å; F261-I428 HydrophobicContact CE2-CG2 3.68Å; F261-P430 HydrophobicContact CE1-CB 4.09Å; F261-P430 HydrophobicContact CE1-CG 4.33Å; F261-P430 HydrophobicContact CZ-CB 4.18Å; F261-P430 HydrophobicContact CZ-CG 4.08Å; F261-P431 HydrophobicContact CB-CG 3.96Å; F261-P431 HydrophobicContact CD1-CG 3.97Å; F261-P431 HydrophobicContact CG-CG 4.02Å
262Y98.8Very high97.8Very high0 Ų028.4 Ų28.40%014%0.143CC..Hα-helixtrans-64.7-41.3-179.8-62-32.4000113.2L244 F254 R258 A259 A264 E265 M266 L290 G294 I296 M350L244-Y262 HydrophobicContact CD1-CD2 3.81Å; L244-Y262 HydrophobicContact CD1-CE2 3.71Å; F254-Y262 HydrophobicContact CD2-CD2 4.42Å; F254-Y262 HydrophobicContact CD2-CE2 4.37Å; F254-Y262 HydrophobicContact CE2-CD2 4.41Å; F254-Y262 HydrophobicContact CE2-CE2 4.18Å; R258-Y262 HydrophobicContact CG-CD2 4Å; R258-Y262 HydrophobicContact CG-CE2 3.52Å; R258-Y262 VanDerWaalsContact NE-CE2 3.27Å; R258-Y262 PolarHBondContact NE-OH 2.77Å; R258-Y262 VanDerWaalsContact NE-OH 3.14Å; R258-Y262 PolarHBondContact NH2-OH 3.02Å; R258-Y262 PolarHBondContact O-N 3.24Å; R258-Y262 VanDerWaalsContact O-N 3.15Å; A259-Y262 PolarHBondContact O-N 3.44Å; Y262-A264 VanDerWaalsContact C-N 3.27Å; Y262-A264 PolarHBondContact O-N 3.39Å; Y262-E265 PolarHBondContact O-N 2.7Å; Y262-M266 VanDerWaalsContact O-CG 3.23Å; Y262-M266 WeakPolarHBondContact O-CG 3.13Å; Y262-M266 PolarHBondContact O-N 3.08Å; Y262-L290 HydrophobicContact CE1-CD2 3.87Å; Y262-G294 WeakPolarHBondContact CE1-O 3.46Å; Y262-I296 HydrophobicContact CD1-CG2 3.48Å; Y262-I296 VanDerWaalsContact CD1-CG2 3.48Å; Y262-I296 HydrophobicContact CE1-CG2 4.15Å; Y262-I296 HydrophobicContact CG-CG2 3.88Å; Y262-M350 HydrophobicContact CD2-SD 4Å
263I98.8Very high97.9Very high0 Ų018.9 Ų18.90%011%0.107CC..Hα-helixtrans-62.9-35.7175.8-69.5-51.9000111.5A259 F261 M266 A267 L343 V346 L347 M350 F415A259-I263 WeakPolarHBondContact O-CB 3.15Å; A259-I263 VanDerWaalsContact O-CG1 3.28Å; A259-I263 WeakPolarHBondContact O-CG1 3.26Å; A259-I263 PolarHBondContact O-N 3.08Å; F261-I263 PolarHBondContact O-N 2.86Å; I263-M266 HydrophobicContact CD1-CE 4.47Å; I263-M266 HydrophobicContact CD1-SD 3.91Å; I263-A267 WeakPolarHBondContact O-CB 3.41Å; I263-A267 PolarHBondContact O-N 3.4Å; I263-L343 HydrophobicContact CD1-CD1 3.84Å; I263-L343 HydrophobicContact CD1-CG 4.29Å; I263-L343 HydrophobicContact CG2-CD1 4.02Å; I263-L343 HydrophobicContact CG2-CD2 4.06Å; I263-L343 HydrophobicContact CG2-CG 4.02Å; I263-V346 HydrophobicContact CD1-CG1 4.28Å; I263-L347 HydrophobicContact CD1-CB 3.82Å; I263-L347 HydrophobicContact CG1-CB 3.81Å; I263-L347 HydrophobicContact CG1-CD1 3.82Å; I263-L347 HydrophobicContact CG1-CG 4.23Å; I263-M350 HydrophobicContact CD1-CE 3.33Å; I263-M350 HydrophobicContact CG1-CE 3.43Å; I263-M350 VanDerWaalsContact CG1-CE 3.43Å; I263-F415 HydrophobicContact CB-CE1 4.44Å; I263-F415 HydrophobicContact CG2-CE1 3.92Å; I263-F415 HydrophobicContact CG2-CZ 3.62Å
264A98.9Very high97.8Very high0 Ų016.8 Ų16.80%09%0.093CC..Hα-helixtrans-64.1-44.9176.300000111.2K260 F261 Y262 A267 S268 F415 I418 W420 L423K260-A264 WeakPolarHBondContact O-CB 3.37Å; K260-A264 PolarHBondContact O-N 3.31Å; F261-A264 WeakPolarHBondContact O-CB 3.41Å; F261-A264 PolarHBondContact O-N 3.39Å; Y262-A264 VanDerWaalsContact C-N 3.27Å; Y262-A264 PolarHBondContact O-N 3.39Å; A264-A267 PolarHBondContact O-N 3.06Å; A264-S268 WeakPolarHBondContact O-CB 3.39Å; A264-S268 PolarHBondContact O-N 3.34Å; A264-F415 HydrophobicContact CB-CD1 3.99Å; A264-F415 HydrophobicContact CB-CE1 3.99Å; A264-I418 HydrophobicContact CB-CG1 4.41Å; A264-I418 HydrophobicContact CB-CG2 4.25Å; A264-W420 HydrophobicContact CB-CH2 4.03Å; A264-W420 HydrophobicContact CB-CZ3 4.09Å; A264-W420 VanDerWaalsContact O-CZ3 3.31Å; A264-W420 WeakPolarHBondContact O-CZ3 3.26Å; A264-L423 HydrophobicContact CB-CD2 3.61Å
265E98.8Very high97.6Very high0 Ų020 Ų200%012%0.117CC..Hα-helixtrans-63.9-43.8177.3-64.1-172.8146.600112F218 F261 Y262 A267 S268 A269 H295 I296 L423F218-E265 HydrophobicContact CD1-CB 4.25Å; F218-E265 HydrophobicContact CD1-CG 4.34Å; F218-E265 HydrophobicContact CD2-CB 3.73Å; F218-E265 HydrophobicContact CD2-CG 4.2Å; F218-E265 WeakPolarHBondContact CD2-O 3.41Å; F218-E265 HydrophobicContact CE1-CB 4.26Å; F218-E265 HydrophobicContact CE1-CG 3.88Å; F218-E265 VanDerWaalsContact CE1-OE1 3.22Å; F218-E265 WeakPolarHBondContact CE1-OE1 3.46Å; F218-E265 HydrophobicContact CE2-CB 3.79Å; F218-E265 HydrophobicContact CE2-CG 3.76Å; F218-E265 HydrophobicContact CG-CB 4.01Å; F218-E265 HydrophobicContact CZ-CB 4.05Å; F218-E265 HydrophobicContact CZ-CG 3.58Å; F218-E265 WeakPolarHBondContact CZ-OE1 3.25Å; F261-E265 VanDerWaalsContact CE1-CD 3.45Å; F261-E265 HydrophobicContact CE1-CG 4.33Å; F261-E265 VanDerWaalsContact CE1-OE1 3.26Å; F261-E265 WeakPolarHBondContact CE1-OE1 3.45Å; F261-E265 HydrophobicContact CZ-CG 4.5Å; F261-E265 WeakPolarHBondContact CZ-OE1 3.41Å; F261-E265 PolarHBondContact O-N 3.33Å; F261-E265 VanDerWaalsContact O-N 3.16Å; Y262-E265 PolarHBondContact O-N 2.7Å; E265-A267 PolarHBondContact O-N 3.27Å; E265-S268 PolarHBondContact O-N 2.79Å; E265-A269 WeakPolarHBondContact O-CB 3.22Å; E265-A269 PolarHBondContact O-N 2.94Å; E265-H295 IonicContact OE1-CE1 3.87Å; E265-H295 IonicContact OE1-CG 2.68Å; E265-H295 IonicContact OE1-ND1 2.78Å; E265-H295 PolarHBondContact OE1-ND1 3.16Å; E265-I296 HydrophobicContact CB-CD1 4.12Å; E265-I296 HydrophobicContact CB-CG1 3.39Å; E265-I296 HydrophobicContact CG-CG1 4.38Å; E265-I296 WeakPolarHBondContact OE2-CG1 3.45Å; E265-I296 PolarHBondContact OE2-N 2.93Å; E265-L423 HydrophobicContact CG-CD1 3.84Å; E265-L423 HydrophobicContact CG-CD2 4.26Å; E265-L423 HydrophobicContact CG-CG 4.11Å
266M98.8Very high97.3Very high0 Ų019 Ų190%011%0.106CC..Hα-helixtrans-60.8-44.6174.8-67176.1-152.100111.7L244 Y262 I263 S268 A269 L270 L283 I288 I296 L298 L343 V346 M350L244-M266 HydrophobicContact CD2-CE 3.67Å; Y262-M266 VanDerWaalsContact O-CG 3.23Å; Y262-M266 WeakPolarHBondContact O-CG 3.13Å; Y262-M266 PolarHBondContact O-N 3.08Å; I263-M266 HydrophobicContact CD1-CE 4.47Å; I263-M266 HydrophobicContact CD1-SD 3.91Å; M266-S268 VanDerWaalsContact C-N 3.35Å; M266-S268 PolarHBondContact O-N 2.72Å; M266-A269 PolarHBondContact O-N 3.04Å; M266-L270 WeakPolarHBondContact O-CG 3.26Å; M266-L270 PolarHBondContact O-N 2.83Å; M266-L283 HydrophobicContact SD-CD2 4.45Å; M266-I288 HydrophobicContact CE-CD1 3.66Å; M266-I288 HydrophobicContact CE-CG2 4.06Å; M266-I288 HydrophobicContact SD-CD1 3.73Å; M266-I296 HydrophobicContact CE-CG2 4.38Å; M266-I296 HydrophobicContact CG-CD1 3.99Å; M266-I296 HydrophobicContact CG-CG1 4.26Å; M266-L298 HydrophobicContact CG-CD2 4.29Å; M266-L343 HydrophobicContact CB-CD1 3.59Å; M266-L343 HydrophobicContact SD-CD1 4.22Å; M266-V346 HydrophobicContact CE-CG1 4.07Å; M266-V346 HydrophobicContact SD-CG1 4Å; M266-M350 HydrophobicContact CE-CE 4.42Å
267A98.8Very high96.9Very high0 Ų023.2 Ų23.20%012%0.121CC..Hα-helixtrans-64.1-40.4179.800000112I263 A264 E265 L270 G271 W340 L343 F406 I409 W420I263-A267 WeakPolarHBondContact O-CB 3.41Å; I263-A267 PolarHBondContact O-N 3.4Å; A264-A267 PolarHBondContact O-N 3.06Å; E265-A267 PolarHBondContact O-N 3.27Å; A267-L270 PolarHBondContact O-N 3.28Å; A267-G271 PolarHBondContact O-N 3.1Å; A267-W340 HydrophobicContact CB-CZ3 4.12Å; A267-L343 HydrophobicContact CB-CD2 3.92Å; A267-F406 VanDerWaalsContact C-CE2 3.41Å; A267-F406 HydrophobicContact CB-CD2 4.26Å; A267-F406 HydrophobicContact CB-CE2 3.84Å; A267-F406 VanDerWaalsContact O-CD2 3.28Å; A267-F406 WeakPolarHBondContact O-CD2 3.24Å; A267-F406 WeakPolarHBondContact O-CE2 3.43Å; A267-I409 HydrophobicContact CB-CG2 3.96Å; A267-W420 HydrophobicContact CB-CH2 4.37Å
268S98.5Very high96.6Very high2 Ų219.3 Ų19.31%0.0149%0.094CC..Hα-helixtrans-61-45.5173.8172.30000111.2H216 A264 E265 M266 G271 Y272 E424H216-S268 PolarHBondContact CE1-OG 2.83Å; H216-S268 PolarHBondContact NE2-OG 3.08Å; H216-S268 VanDerWaalsContact NE2-OG 3.16Å; A264-S268 WeakPolarHBondContact O-CB 3.39Å; A264-S268 PolarHBondContact O-N 3.34Å; E265-S268 PolarHBondContact O-N 2.79Å; M266-S268 VanDerWaalsContact C-N 3.35Å; M266-S268 PolarHBondContact O-N 2.72Å; S268-G271 PolarHBondContact O-N 3.04Å; S268-Y272 PolarHBondContact O-N 3.04Å; S268-E424 VanDerWaalsContact OG-CG 3.28Å; S268-E424 WeakPolarHBondContact OG-CG 3.44Å; S268-E424 PolarHBondContact OG-OE1 3.34Å; S268-E424 VanDerWaalsContact OG-OE1 3.09Å
269A97.6Very high96.4Very high0 Ų018.9 Ų18.90%09%0.093CC..Hα-helixtrans-62.3-44.2176.600000113.4F218 L219 E265 M266 Y272 L273 L298F218-A269 HydrophobicContact CB-CB 4.07Å; L219-A269 HydrophobicContact CD2-CB 3.77Å; L219-A269 HydrophobicContact CG-CB 4.08Å; E265-A269 WeakPolarHBondContact O-CB 3.22Å; E265-A269 PolarHBondContact O-N 2.94Å; M266-A269 PolarHBondContact O-N 3.04Å; A269-Y272 PolarHBondContact O-N 3.42Å; A269-L273 WeakPolarHBondContact O-CG 3.15Å; A269-L273 PolarHBondContact O-N 2.51Å; A269-L273 VanDerWaalsContact O-N 3.11Å; A269-L298 HydrophobicContact CB-CD1 3.81Å; A269-L298 HydrophobicContact CB-CG 4.28Å
270L97.6Very high96.2Very high0 Ų018.9 Ų18.90%09%0.093CC..Hα-helixtrans-65.3-46.1176.5-71173.3000111.8M266 A267 Y272 L273 H274 Y280 L283 L298 D339 W340 L343M266-L270 WeakPolarHBondContact O-CG 3.26Å; M266-L270 PolarHBondContact O-N 2.83Å; A267-L270 PolarHBondContact O-N 3.28Å; L270-Y272 PolarHBondContact O-N 2.77Å; L270-L273 WeakPolarHBondContact O-CB 3.44Å; L270-L273 PolarHBondContact O-N 2.68Å; L270-H274 PolarHBondContact O-CD2 3.29Å; L270-H274 VanDerWaalsContact O-CD2 3.27Å; L270-H274 VanDerWaalsContact O-CG 3.26Å; L270-H274 PolarHBondContact O-N 3.45Å; L270-Y280 HydrophobicContact CD2-CD1 4.35Å; L270-Y280 HydrophobicContact CD2-CG 4.27Å; L270-L283 HydrophobicContact CD1-CD2 4.17Å; L270-L298 HydrophobicContact CD2-CD1 4.48Å; L270-D339 HydrophobicContact CD1-CB 4.15Å; L270-D339 HydrophobicContact CD2-CB 3.98Å; L270-W340 HydrophobicContact CB-CH2 3.91Å; L270-W340 HydrophobicContact CB-CZ3 3.97Å; L270-W340 HydrophobicContact CD1-CE3 4.23Å; L270-W340 HydrophobicContact CD1-CZ3 3.95Å; L270-L343 HydrophobicContact CD1-CB 4.4Å; L270-L343 HydrophobicContact CD1-CD1 4.31Å
271G96.7Very high96Very high7 Ų718.1 Ų18.17%0.0729%0.089CC..Hα-helixtrans-58.3-38.2176.300000112.5A267 S268 H274 S275A267-G271 PolarHBondContact O-N 3.1Å; S268-G271 PolarHBondContact O-N 3.04Å; G271-H274 PolarHBondContact O-N 2.91Å; G271-S275 PolarHBondContact O-N 3.13Å
272Y95.8Very high95.7Very high61 Ų6118 Ų1824%0.2399%0.089CC..Hα-helixtrans-62.6-46.8172.3176-97.6000112.3N213 V214 H216 L219 S268 A269 L270 H274 S275 L276N213-Y272 PolarHBondContact O-OH 3.02Å; V214-Y272 HydrophobicContact CB-CE1 4.37Å; V214-Y272 HydrophobicContact CG1-CD1 4.5Å; V214-Y272 HydrophobicContact CG1-CE1 3.96Å; H216-Y272 HydrophobicContact CB-CD1 3.78Å; H216-Y272 HydrophobicContact CB-CE1 4.07Å; H216-Y272 HydrophobicContact CB-CG 4.13Å; H216-Y272 AromaticContact CD2-CD2 3.95Å; H216-Y272 AromaticContact CD2-CG 3.6Å; L219-Y272 HydrophobicContact CD1-CD1 3.69Å; L219-Y272 HydrophobicContact CD1-CE1 4.2Å; S268-Y272 PolarHBondContact O-N 3.04Å; A269-Y272 PolarHBondContact O-N 3.42Å; L270-Y272 PolarHBondContact O-N 2.77Å; Y272-H274 PolarHBondContact O-N 2.99Å; Y272-S275 WeakPolarHBondContact O-CB 3.35Å; Y272-S275 PolarHBondContact O-N 3.2Å; Y272-S275 PolarHBondContact O-OG 3.14Å; Y272-L276 HydrophobicContact CD1-CD1 4.3Å; Y272-L276 HydrophobicContact CE1-CD1 3.6Å; Y272-L276 HydrophobicContact CE2-CD1 4.44Å; Y272-L276 PolarHBondContact O-N 3.47Å
273L94.4Very high95.6Very high0 Ų018 Ų180%09%0.089CC..Hα-helixtrans-60.5-44.2176-69.8173.6000112V214 L219 A269 L270 S275 L276 Y277 I278 Y280 F301V214-L273 HydrophobicContact CG1-CD2 4.42Å; L219-L273 HydrophobicContact CD1-CD1 4.39Å; L219-L273 HydrophobicContact CD1-CD2 3.84Å; L219-L273 HydrophobicContact CD1-CG 3.87Å; L219-L273 HydrophobicContact CD2-CD1 4.23Å; A269-L273 WeakPolarHBondContact O-CG 3.15Å; A269-L273 PolarHBondContact O-N 2.51Å; A269-L273 VanDerWaalsContact O-N 3.11Å; L270-L273 WeakPolarHBondContact O-CB 3.44Å; L270-L273 PolarHBondContact O-N 2.68Å; L273-S275 VanDerWaalsContact C-N 3.28Å; L273-S275 PolarHBondContact O-N 3.33Å; L273-L276 CarbonylContact O-C 3.6Å; L273-L276 WeakPolarHBondContact O-CA 3.29Å; L273-L276 WeakPolarHBondContact O-CB 3.04Å; L273-L276 PolarHBondContact O-N 2.76Å; L273-Y277 PolarHBondContact O-N 3.34Å; L273-I278 CarbonylContact C-O 3.57Å; L273-I278 VanDerWaalsContact C-O 3.27Å; L273-I278 HydrophobicContact CB-CB 4.27Å; L273-I278 HydrophobicContact CB-CG2 4.48Å; L273-I278 HydrophobicContact CD2-CB 4.41Å; L273-I278 HydrophobicContact CD2-CD1 4.5Å; L273-I278 HydrophobicContact CD2-CG2 4.19Å; L273-I278 PolarHBondContact O-N 3.45Å; L273-Y280 HydrophobicContact CD1-CD2 4.06Å; L273-Y280 HydrophobicContact CD1-CG 4.39Å; L273-F301 HydrophobicContact CD1-CE1 4.14Å; L273-F301 HydrophobicContact CD2-CE1 4.23Å
274H94.9Very high95.4Very high17 Ų1719.5 Ų19.58%0.07910%0.095CC..Hα-helixtrans-61.7-36.9177.7-63.8178.4000111.6L270 G271 Y272 L276 Y277 I278 D339 W340 D405L270-H274 PolarHBondContact O-CD2 3.29Å; L270-H274 VanDerWaalsContact O-CD2 3.27Å; L270-H274 VanDerWaalsContact O-CG 3.26Å; L270-H274 PolarHBondContact O-N 3.45Å; G271-H274 PolarHBondContact O-N 2.91Å; Y272-H274 PolarHBondContact O-N 2.99Å; H274-L276 PolarHBondContact O-N 3.06Å; H274-Y277 PolarHBondContact O-N 3.09Å; H274-I278 PolarHBondContact CD2-O 2.9Å; H274-I278 PolarHBondContact N-O 3.15Å; H274-D339 IonicContact NE2-OD2 3.32Å; H274-D339 PolarHBondContact NE2-OD2 2.96Å; H274-D339 VanDerWaalsContact NE2-OD2 3.13Å; H274-W340 AromaticContact CE1-CE2 3.68Å; H274-W340 AromaticContact CE1-CZ2 3.65Å; H274-W340 AromaticContact CE1-NE1 3.81Å; H274-W340 AromaticContact ND1-CE2 3.88Å; H274-W340 AromaticContact ND1-CZ2 3.55Å; H274-W340 AromaticContact ND1-NE1 3.96Å; H274-D405 WeakPolarHBondContact CB-OD2 3.4Å; H274-D405 IonicContact CE1-OD1 3.97Å; H274-D405 IonicContact CG-OD1 2.68Å; H274-D405 IonicContact CG-OD2 3.68Å; H274-D405 IonicContact ND1-OD1 2.8Å; H274-D405 PolarHBondContact ND1-OD1 2.9Å; H274-D405 IonicContact ND1-OD2 3.94Å; H274-D405 PolarHBondContact ND1-OD2 3.24Å
275S93Very high95.3Very high75 Ų7519.5 Ų19.552%0.52410%0.095SC..Hα-helixtrans-62.9-20.4174.283.30000113.7G271 Y272 L273G271-S275 PolarHBondContact O-N 3.13Å; Y272-S275 WeakPolarHBondContact O-CB 3.35Å; Y272-S275 PolarHBondContact O-N 3.2Å; Y272-S275 PolarHBondContact O-OG 3.14Å; L273-S275 VanDerWaalsContact C-N 3.28Å; L273-S275 PolarHBondContact O-N 3.33Å
276L91.1Very high94.9Very high54 Ų5422.5 Ų22.528%0.28311%0.109SC..THydrogen-bonded Turntrans-98.39174.5-59.8179000112.9Y272 L273 H274 I278Y272-L276 HydrophobicContact CD1-CD1 4.3Å; Y272-L276 HydrophobicContact CE1-CD1 3.6Å; Y272-L276 HydrophobicContact CE2-CD1 4.44Å; Y272-L276 PolarHBondContact O-N 3.47Å; L273-L276 CarbonylContact O-C 3.6Å; L273-L276 WeakPolarHBondContact O-CA 3.29Å; L273-L276 WeakPolarHBondContact O-CB 3.04Å; L273-L276 PolarHBondContact O-N 2.76Å; H274-L276 PolarHBondContact O-N 3.06Å; L276-I278 VanDerWaalsContact C-N 3.31Å; L276-I278 HydrophobicContact CB-CD1 3.96Å; L276-I278 HydrophobicContact CB-CG1 4.25Å; L276-I278 HydrophobicContact CD1-CD1 4.5Å; L276-I278 PolarHBondContact O-N 2.94Å
277Y90.6Very high94.7Very high131 Ų13123.1 Ų23.151%0.51411%0.112SC..THydrogen-bonded Turntrans59.939.4-175.2-49.2-65.7000113L273 H274 E306 G307 I308L273-Y277 PolarHBondContact O-N 3.34Å; H274-Y277 PolarHBondContact O-N 3.09Å; Y277-E306 CarbonylContact O-C 3.51Å; Y277-G307 PolarHBondContact O-N 3.41Å; Y277-I308 PolarHBondContact O-N 3Å
278I90.8Very high94.7Very high1 Ų123.1 Ų23.11%0.00511%0.112CC..EExtended strand (participates in β ladder)trans-117.6122.6178.2-60.4168.3000108.7V209 K212 L273 H274 L276 C304 K305 E306V209-I278 HydrophobicContact CG1-CD1 4.27Å; V209-I278 HydrophobicContact CG1-CG2 4.22Å; V209-I278 HydrophobicContact CG2-CD1 4.41Å; V209-I278 HydrophobicContact CG2-CG2 4.24Å; K212-I278 HydrophobicContact CD-CD1 4.26Å; L273-I278 CarbonylContact C-O 3.57Å; L273-I278 VanDerWaalsContact C-O 3.27Å; L273-I278 HydrophobicContact CB-CB 4.27Å; L273-I278 HydrophobicContact CB-CG2 4.48Å; L273-I278 HydrophobicContact CD2-CB 4.41Å; L273-I278 HydrophobicContact CD2-CD1 4.5Å; L273-I278 HydrophobicContact CD2-CG2 4.19Å; L273-I278 PolarHBondContact O-N 3.45Å; H274-I278 PolarHBondContact CD2-O 2.9Å; H274-I278 PolarHBondContact N-O 3.15Å; L276-I278 VanDerWaalsContact C-N 3.31Å; L276-I278 HydrophobicContact CB-CD1 3.96Å; L276-I278 HydrophobicContact CB-CG1 4.25Å; L276-I278 HydrophobicContact CD1-CD1 4.5Å; L276-I278 PolarHBondContact O-N 2.94Å; I278-C304 HydrophobicContact CG2-CB 4.08Å; I278-K305 WeakPolarHBondContact CA-O 3.21Å; I278-E306 HydrophobicContact CG1-CG 4.36Å
279V93.6Very high94.6Very high2 Ų224.4 Ų24.41%0.01212%0.119CC..EExtended strand (participates in β ladder)trans-99.4131.8171.5-168.90000108.8R281 C304 K305 I308 N336 V338 D339V279-R281 HydrophobicContact CB-CG 4.09Å; V279-R281 HydrophobicContact CG1-CG 3.54Å; V279-C304 CarbonylContact O-C 3.49Å; V279-C304 WeakPolarHBondContact O-CA 3.49Å; V279-K305 PolarHBondContact N-O 3.49Å; V279-K305 PolarHBondContact O-N 3.45Å; V279-I308 HydrophobicContact CG2-CB 3.9Å; V279-I308 HydrophobicContact CG2-CG1 4.17Å; V279-I308 HydrophobicContact CG2-CG2 4Å; V279-N336 HydrophobicContact CG2-CB 4.03Å; V279-V338 HydrophobicContact CG1-CG2 3.87Å; V279-D339 VanDerWaalsContact CG1-OD2 3.3Å; V279-D339 WeakPolarHBondContact CG1-OD2 3.41Å
280Y94.6Very high94.5Very high1 Ų124.4 Ų24.40%0.00412%0.119CC..  trans-80.2-45.6-172.6-175.9-106.7000113.6L270 L273 D282 L283 N287 T299 F301 D339L270-Y280 HydrophobicContact CD2-CD1 4.35Å; L270-Y280 HydrophobicContact CD2-CG 4.27Å; L273-Y280 HydrophobicContact CD1-CD2 4.06Å; L273-Y280 HydrophobicContact CD1-CG 4.39Å; Y280-D282 VanDerWaalsContact CE1-C 3.42Å; Y280-D282 WeakPolarHBondContact CE1-O 3.33Å; Y280-D282 PolarHBondContact O-N 3.46Å; Y280-D282 VanDerWaalsContact O-N 3.11Å; Y280-L283 HydrophobicContact CD1-CB 3.93Å; Y280-L283 HydrophobicContact CD1-CD1 4.39Å; Y280-L283 HydrophobicContact CE1-CB 3.96Å; Y280-L283 HydrophobicContact CE1-CD1 4.09Å; Y280-N287 WeakPolarHBondContact OH-CB 3.42Å; Y280-T299 PolarHBondContact OH-O 3.38Å; Y280-F301 AromaticContact CD2-CD1 3.96Å; Y280-F301 HydrophobicContact CD2-CD1 3.96Å; Y280-F301 HydrophobicContact CD2-CE1 4.14Å; Y280-F301 AromaticContact CE2-CD1 3.93Å; Y280-F301 HydrophobicContact CE2-CD1 3.93Å; Y280-F301 HydrophobicContact CE2-CE1 4.07Å; Y280-D339 WeakPolarHBondContact CB-OD2 3.39Å; Y280-D339 PolarHBondContact N-OD2 3.2Å
281R94.5Very high94.4Very high19 Ų1925.1 Ų25.17%0.07212%0.123CC..  trans65.5-3.3170.7-52.6-169.9-64.7176.4-1.6118.3V279 L303 C304 C318 Y334 V338 D339V279-R281 HydrophobicContact CB-CG 4.09Å; V279-R281 HydrophobicContact CG1-CG 3.54Å; R281-L303 PolarHBondContact NE-O 2.88Å; R281-L303 PolarHBondContact NH2-O 3.46Å; R281-C304 PolarHBondContact NH2-O 3.41Å; R281-C318 VanDerWaalsContact CZ-SG 3.56Å; R281-Y334 WeakPolarHBondContact CD-OH 3.33Å; R281-Y334 HydrophobicContact CG-CE2 4.43Å; R281-Y334 PolarHBondContact NH1-OH 3.14Å; R281-V338 HydrophobicContact CG-CG2 4.24Å; R281-D339 WeakPolarHBondContact CA-OD1 3.45Å; R281-D339 PolarHBondContact N-OD1 2.8Å
282D92.5Very high94.2Very high9 Ų929.7 Ų29.75%0.04814%0.142CC..  trans-138.543.1179.1-159.838.7000113.3Y280 K284 N287 L303 T320Y280-D282 VanDerWaalsContact CE1-C 3.42Å; Y280-D282 WeakPolarHBondContact CE1-O 3.33Å; Y280-D282 PolarHBondContact O-N 3.46Å; Y280-D282 VanDerWaalsContact O-N 3.11Å; D282-K284 PolarHBondContact O-N 3.15Å; D282-K284 IonicContact OD1-NZ 3.98Å; D282-K284 PolarHBondContact OD1-NZ 3.31Å; D282-K284 VanDerWaalsContact OD2-CE 3.3Å; D282-K284 WeakPolarHBondContact OD2-CE 3.16Å; D282-K284 IonicContact OD2-NZ 2.64Å; D282-K284 PolarHBondContact OD2-NZ 3.43Å; D282-N287 PolarHBondContact O-ND2 2.85Å; D282-N287 PolarHBondContact OD2-ND2 3.45Å; D282-L303 HydrophobicContact CB-CB 4.17Å; D282-L303 HydrophobicContact CB-CD1 3.77Å; D282-L303 HydrophobicContact CB-CG 4.44Å; D282-T320 PolarHBondContact OD1-N 3.29Å; D282-T320 PolarHBondContact OD1-OG1 3.18Å
283L97.4Very high94.1Very high0 Ų031.4 Ų31.40%015%0.153CC..  trans-73.7113.9174.8-170.184.6000111M266 L270 Y280 I288 L298 C342 L343 V346M266-L283 HydrophobicContact SD-CD2 4.45Å; L270-L283 HydrophobicContact CD1-CD2 4.17Å; Y280-L283 HydrophobicContact CD1-CB 3.93Å; Y280-L283 HydrophobicContact CD1-CD1 4.39Å; Y280-L283 HydrophobicContact CE1-CB 3.96Å; Y280-L283 HydrophobicContact CE1-CD1 4.09Å; L283-I288 HydrophobicContact CD1-CD1 4.03Å; L283-I288 HydrophobicContact CD1-CG1 4.24Å; L283-I288 HydrophobicContact CG-CD1 4.31Å; L283-L298 HydrophobicContact CD1-CD1 4.1Å; L283-L298 HydrophobicContact CD1-CD2 3.69Å; L283-C342 HydrophobicContact CB-CB 3.73Å; L283-C342 HydrophobicContact CD2-CB 4.27Å; L283-L343 HydrophobicContact CD2-CB 4.13Å; L283-L343 HydrophobicContact CD2-CD1 4.04Å; L283-V346 HydrophobicContact CD2-CG2 4.28Å; L283-V346 HydrophobicContact CG-CG2 4.33Å
284K95.4Very high94.2Very high30 Ų3031.4 Ų31.413%0.1315%0.153CC..SBendtrans-154.9159178.363.3-173.7168.9-155.70110.3D282 E286 N287 I288 T320 Y323D282-K284 PolarHBondContact O-N 3.15Å; D282-K284 IonicContact OD1-NZ 3.98Å; D282-K284 PolarHBondContact OD1-NZ 3.31Å; D282-K284 VanDerWaalsContact OD2-CE 3.3Å; D282-K284 WeakPolarHBondContact OD2-CE 3.16Å; D282-K284 IonicContact OD2-NZ 2.64Å; D282-K284 PolarHBondContact OD2-NZ 3.43Å; K284-E286 WeakPolarHBondContact CB-OE2 3.47Å; K284-E286 HydrophobicContact CD-CB 4.37Å; K284-E286 WeakPolarHBondContact CD-OE2 3.29Å; K284-E286 HydrophobicContact CG-CB 4.27Å; K284-E286 VanDerWaalsContact CG-OE2 3.29Å; K284-E286 WeakPolarHBondContact CG-OE2 3.11Å; K284-E286 PolarHBondContact O-N 3.32Å; K284-E286 VanDerWaalsContact O-N 3.09Å; K284-N287 VanDerWaalsContact CE-CG 3.41Å; K284-N287 VanDerWaalsContact CE-ND2 3.32Å; K284-N287 WeakPolarHBondContact CE-ND2 3.02Å; K284-N287 VanDerWaalsContact CE-OD1 3.22Å; K284-N287 WeakPolarHBondContact CE-OD1 3.26Å; K284-N287 HydrophobicContact CG-CB 4.24Å; K284-N287 PolarHBondContact O-N 3.09Å; K284-I288 VanDerWaalsContact O-CD1 3.3Å; K284-I288 WeakPolarHBondContact O-CD1 3.48Å; K284-I288 VanDerWaalsContact O-CG1 3.29Å; K284-I288 WeakPolarHBondContact O-CG1 3.32Å; K284-T320 HydrophobicContact CD-CG2 4.11Å; K284-T320 VanDerWaalsContact CD-OG1 3.29Å; K284-T320 WeakPolarHBondContact CD-OG1 3.4Å; K284-T320 PolarHBondContact NZ-OG1 2.53Å; K284-Y323 HydrophobicContact CB-CD1 4.46Å; K284-Y323 HydrophobicContact CB-CD2 3.83Å; K284-Y323 HydrophobicContact CB-CE1 4.33Å; K284-Y323 HydrophobicContact CB-CE2 3.64Å; K284-Y323 HydrophobicContact CB-CG 4.25Å
285P95.4Very high94.4Very high1 Ų130.8 Ų30.81%0.00615%0.15CC..G310 helixtrans-56.8-25.8-177.2-25.336000115.3L244 F245 Y323 E349L244-P285 HydrophobicContact CB-CB 4.43Å; L244-P285 PolarHBondContact N-O 3.05Å; F245-P285 HydrophobicContact CB-CB 3.79Å; F245-P285 HydrophobicContact CD2-CB 4.27Å; F245-P285 PolarHBondContact N-O 3.34Å; F245-P285 VanDerWaalsContact N-O 3.08Å; P285-Y323 WeakPolarHBondContact CD-OH 3.41Å; P285-E349 VanDerWaalsContact CG-OE2 3.26Å; P285-E349 WeakPolarHBondContact CG-OE2 3.23Å
286E92.2Very high94.6Very high63 Ų6327.2 Ų27.229%0.29413%0.125SC..G310 helixtrans-72.2-31.2178.2-60.492.4146.900112.9F245 K284 I288F245-E286 HydrophobicContact CB-CG 4.04Å; F245-E286 HydrophobicContact CD1-CG 4.47Å; F245-E286 HydrophobicContact CD2-CG 4.21Å; F245-E286 HydrophobicContact CG-CG 3.99Å; K284-E286 WeakPolarHBondContact CB-OE2 3.47Å; K284-E286 HydrophobicContact CD-CB 4.37Å; K284-E286 WeakPolarHBondContact CD-OE2 3.29Å; K284-E286 HydrophobicContact CG-CB 4.27Å; K284-E286 VanDerWaalsContact CG-OE2 3.29Å; K284-E286 WeakPolarHBondContact CG-OE2 3.11Å; K284-E286 PolarHBondContact O-N 3.32Å; K284-E286 VanDerWaalsContact O-N 3.09Å; E286-I288 VanDerWaalsContact C-N 3.29Å
287N94.5Very high94.9Very high12 Ų1225.1 Ų25.16%0.06411%0.114CC..G310 helixtrans-89.42179.4-70.4-2000112.7Y280 D282 K284 T299Y280-N287 WeakPolarHBondContact OH-CB 3.42Å; D282-N287 PolarHBondContact O-ND2 2.85Å; D282-N287 PolarHBondContact OD2-ND2 3.45Å; K284-N287 VanDerWaalsContact CE-CG 3.41Å; K284-N287 VanDerWaalsContact CE-ND2 3.32Å; K284-N287 WeakPolarHBondContact CE-ND2 3.02Å; K284-N287 VanDerWaalsContact CE-OD1 3.22Å; K284-N287 WeakPolarHBondContact CE-OD1 3.26Å; K284-N287 HydrophobicContact CG-CB 4.24Å; K284-N287 PolarHBondContact O-N 3.09Å; N287-T299 PolarHBondContact O-N 3.26Å; N287-T299 PolarHBondContact O-OG1 2.85Å
288I97.5Very high95.2Very high0 Ų018.9 Ų18.90%09%0.089CC..EExtended strand (participates in β ladder)trans-110.6111.7-177.5-57.6162.7000107.6L244 M266 L283 K284 E286 I296 L298 V346L244-I288 HydrophobicContact CB-CB 4Å; L244-I288 HydrophobicContact CB-CG2 4.03Å; L244-I288 WeakPolarHBondContact CB-O 3.47Å; L244-I288 HydrophobicContact CD2-CB 4.3Å; L244-I288 HydrophobicContact CD2-CD1 4.13Å; L244-I288 HydrophobicContact CD2-CG2 4.04Å; L244-I288 PolarHBondContact N-O 3.09Å; M266-I288 HydrophobicContact CE-CD1 3.66Å; M266-I288 HydrophobicContact CE-CG2 4.06Å; M266-I288 HydrophobicContact SD-CD1 3.73Å; L283-I288 HydrophobicContact CD1-CD1 4.03Å; L283-I288 HydrophobicContact CD1-CG1 4.24Å; L283-I288 HydrophobicContact CG-CD1 4.31Å; K284-I288 VanDerWaalsContact O-CD1 3.3Å; K284-I288 WeakPolarHBondContact O-CD1 3.48Å; K284-I288 VanDerWaalsContact O-CG1 3.29Å; K284-I288 WeakPolarHBondContact O-CG1 3.32Å; E286-I288 VanDerWaalsContact C-N 3.29Å; I288-I296 HydrophobicContact CG2-CB 3.9Å; I288-I296 HydrophobicContact CG2-CG2 4.03Å; I288-L298 HydrophobicContact CG1-CD2 3.75Å; I288-L298 HydrophobicContact CG2-CD2 4.43Å; I288-V346 HydrophobicContact CD1-CG1 4.23Å
289L96.2Very high95.3Very high29 Ų2920 Ų2015%0.15210%0.096CC..EExtended strand (participates in β ladder)trans-97.6156.5175.7-57.9-172.7000110.4V239 G242 E243 I296 V297 T299V239-L289 HydrophobicContact CB-CB 4.16Å; V239-L289 HydrophobicContact CB-CD1 3.84Å; V239-L289 HydrophobicContact CG1-CB 3.56Å; V239-L289 HydrophobicContact CG1-CD1 4.19Å; G242-L289 CarbonylContact O-C 3.49Å; G242-L289 WeakPolarHBondContact O-CA 3.42Å; E243-L289 HydrophobicContact CB-CD2 4.21Å; E243-L289 HydrophobicContact CG-CD2 3.58Å; L289-I296 CarbonylContact O-C 3.6Å; L289-I296 VanDerWaalsContact O-CA 3.3Å; L289-I296 WeakPolarHBondContact O-CA 3.47Å; L289-V297 PolarHBondContact N-O 3.38Å; L289-V297 PolarHBondContact O-N 3.36Å; L289-T299 HydrophobicContact CB-CG2 4.41Å; L289-T299 HydrophobicContact CD1-CG2 3.64Å; L289-T299 HydrophobicContact CG-CG2 3.74Å
290L96.8Very high94.9Very high0 Ų023 Ų230%011%0.112CC..EExtended strand (participates in β ladder)trans-100.9135165.6-61.6-179.1000109.6V239 G241 G242 L244 Y262 H295 I296 F432 P434V239-L290 VanDerWaalsContact CG1-C 3.5Å; V239-L290 WeakPolarHBondContact CG1-O 3.32Å; G241-L290 CarbonylContact C-O 3.55Å; G241-L290 WeakPolarHBondContact CA-O 3.37Å; G241-L290 PolarHBondContact N-O 2.75Å; G242-L290 PolarHBondContact O-N 3Å; L244-L290 HydrophobicContact CD1-CD2 4.32Å; Y262-L290 HydrophobicContact CE1-CD2 3.87Å; L290-H295 CarbonylContact C-O 3.49Å; L290-H295 WeakPolarHBondContact CA-O 3.22Å; L290-I296 HydrophobicContact CD2-CG2 3.89Å; L290-F432 HydrophobicContact CD1-CD1 3.86Å; L290-F432 HydrophobicContact CD1-CE1 3.8Å; L290-P434 HydrophobicContact CB-CG 3.9Å; L290-P434 HydrophobicContact CD1-CG 4.19Å
291D94.6Very high94.6Very high15 Ų1523.1 Ų23.18%0.0811%0.113CC..  trans-74.4174166.772.517.7000111.7V239 E293 G294 H295 V297 K426 P434V239-D291 HydrophobicContact CG1-CB 4.27Å; D291-E293 PolarHBondContact O-N 2.68Å; D291-E293 PolarHBondContact OD1-N 3.41Å; D291-G294 PolarHBondContact O-N 3.17Å; D291-G294 VanDerWaalsContact O-N 3.11Å; D291-G294 PolarHBondContact OD1-N 3.18Å; D291-H295 PolarHBondContact N-O 3.13Å; D291-H295 IonicContact OD1-CD2 2.62Å; D291-H295 PolarHBondContact OD1-N 3.32Å; D291-H295 IonicContact OD2-CD2 3.82Å; D291-V297 HydrophobicContact CB-CG2 4.38Å; D291-K426 IonicContact OD2-NZ 2.85Å; D291-K426 PolarHBondContact OD2-NZ 3.23Å; D291-P434 WeakPolarHBondContact O-CG 3.46Å
292H92.7Very high94Very high104 Ų10423.1 Ų23.148%0.48112%0.119SC..SBendtrans-61.6-21.3-17969.5-67.1000114.4N240 T433 V436N240-H292 WeakPolarHBondContact OD1-CB 3.3Å; H292-T433 WeakPolarHBondContact O-CG2 3.46Å; H292-V436 HydrophobicContact CB-CB 4.44Å; H292-V436 HydrophobicContact CB-CG1 4.18Å
293E94.6Very high93.5Very high97 Ų9725.4 Ų25.445%0.45313%0.131SC..SBendtrans-88.6-26.1177.5-63.318094.600111.1D291 P430 T433D291-E293 PolarHBondContact O-N 2.68Å; D291-E293 PolarHBondContact OD1-N 3.41Å; E293-P430 WeakPolarHBondContact O-CG 3.29Å; E293-T433 PolarHBondContact O-OG1 2.9Å
294G96.4Very high93Very high0 Ų026 Ų260%013%0.134CC..SBendtrans112.112.1176.500000114.6Y262 D291 F432Y262-G294 WeakPolarHBondContact CE1-O 3.46Å; D291-G294 PolarHBondContact O-N 3.17Å; D291-G294 VanDerWaalsContact O-N 3.11Å; D291-G294 PolarHBondContact OD1-N 3.18Å; G294-F432 WeakPolarHBondContact CA-O 3.33Å
295H98.2Very high92.5Very high4 Ų426.9 Ų26.92%0.01914%0.138CC..  trans-79.6150.1172.4-62.6-82.2000110.8F218 F261 E265 L290 D291 P430F218-H295 HydrophobicContact CD1-CB 4.43Å; F218-H295 HydrophobicContact CE1-CB 4.19Å; F261-H295 AromaticContact CZ-CE1 3.93Å; F261-H295 AromaticContact CZ-ND1 3.71Å; E265-H295 IonicContact OE1-CE1 3.87Å; E265-H295 IonicContact OE1-CG 2.68Å; E265-H295 IonicContact OE1-ND1 2.78Å; E265-H295 PolarHBondContact OE1-ND1 3.16Å; L290-H295 CarbonylContact C-O 3.49Å; L290-H295 WeakPolarHBondContact CA-O 3.22Å; D291-H295 PolarHBondContact N-O 3.13Å; D291-H295 IonicContact OD1-CD2 2.62Å; D291-H295 PolarHBondContact OD1-N 3.32Å; D291-H295 IonicContact OD2-CD2 3.82Å; H295-P430 WeakPolarHBondContact NE2-CG 3.49Å
296I98Very high92Very high0 Ų029.1 Ų29.10%015%0.149CC..EExtended strand (participates in β ladder)trans-74.7149.1175.771.495.4000111.5F218 Y262 E265 M266 I288 L289 L290 L298F218-I296 WeakPolarHBondContact CA-O 3.42Å; F218-I296 HydrophobicContact CB-CD1 3.71Å; F218-I296 HydrophobicContact CB-CG1 4.34Å; F218-I296 WeakPolarHBondContact CD1-O 3.3Å; F218-I296 HydrophobicContact CG-CD1 4.38Å; Y262-I296 HydrophobicContact CD1-CG2 3.48Å; Y262-I296 VanDerWaalsContact CD1-CG2 3.48Å; Y262-I296 HydrophobicContact CE1-CG2 4.15Å; Y262-I296 HydrophobicContact CG-CG2 3.88Å; E265-I296 HydrophobicContact CB-CD1 4.12Å; E265-I296 HydrophobicContact CB-CG1 3.39Å; E265-I296 HydrophobicContact CG-CG1 4.38Å; E265-I296 WeakPolarHBondContact OE2-CG1 3.45Å; E265-I296 PolarHBondContact OE2-N 2.93Å; M266-I296 HydrophobicContact CE-CG2 4.38Å; M266-I296 HydrophobicContact CG-CD1 3.99Å; M266-I296 HydrophobicContact CG-CG1 4.26Å; I288-I296 HydrophobicContact CG2-CB 3.9Å; I288-I296 HydrophobicContact CG2-CG2 4.03Å; L289-I296 CarbonylContact O-C 3.6Å; L289-I296 VanDerWaalsContact O-CA 3.3Å; L289-I296 WeakPolarHBondContact O-CA 3.47Å; L290-I296 HydrophobicContact CD2-CG2 3.89Å; I296-L298 HydrophobicContact CD1-CD2 3.84Å; I296-L298 HydrophobicContact CD1-CG 4.08Å
297V97.4Very high91.4Very high9 Ų928.5 Ų28.56%0.05516%0.16CC..EExtended strand (participates in β ladder)trans-133.5116.6168.1-175.50000107.8F218 V220 V239 L289 D291F218-V297 WeakPolarHBondContact O-CA 3.29Å; V220-V297 HydrophobicContact CB-CG1 3.9Å; V239-V297 HydrophobicContact CG1-CB 4.33Å; V239-V297 HydrophobicContact CG1-CG2 4.16Å; V239-V297 HydrophobicContact CG2-CB 4.22Å; V239-V297 HydrophobicContact CG2-CG1 4.11Å; V239-V297 HydrophobicContact CG2-CG2 4.19Å; L289-V297 PolarHBondContact N-O 3.38Å; L289-V297 PolarHBondContact O-N 3.36Å; D291-V297 HydrophobicContact CB-CG2 4.38Å
298L96.5Very high90.6Very high0 Ų028.7 Ų28.70%016%0.16CC..EExtended strand (participates in β ladder)trans-73.1136.2171.9-51.4-173.2000109.6F218 L219 V220 M266 A269 L270 L283 I288 I296F218-L298 PolarHBondContact O-N 3.49Å; L219-L298 HydrophobicContact CD2-CB 3.71Å; L219-L298 HydrophobicContact CD2-CD1 3.77Å; L219-L298 HydrophobicContact CD2-CG 3.94Å; V220-L298 WeakPolarHBondContact CG1-O 3.43Å; V220-L298 PolarHBondContact N-O 2.99Å; M266-L298 HydrophobicContact CG-CD2 4.29Å; A269-L298 HydrophobicContact CB-CD1 3.81Å; A269-L298 HydrophobicContact CB-CG 4.28Å; L270-L298 HydrophobicContact CD2-CD1 4.48Å; L283-L298 HydrophobicContact CD1-CD1 4.1Å; L283-L298 HydrophobicContact CD1-CD2 3.69Å; I288-L298 HydrophobicContact CG1-CD2 3.75Å; I288-L298 HydrophobicContact CG2-CD2 4.43Å; I296-L298 HydrophobicContact CD1-CD2 3.84Å; I296-L298 HydrophobicContact CD1-CG 4.08Å
299T92.3Very high89.6Confident24 Ų2430.2 Ų30.215%0.14717%0.171CC..  trans-126.2177.8-178.465.20000111.4V220 Y280 N287 L289V220-T299 HydrophobicContact CB-CG2 4.11Å; V220-T299 HydrophobicContact CG1-CG2 4.17Å; Y280-T299 PolarHBondContact OH-O 3.38Å; N287-T299 PolarHBondContact O-N 3.26Å; N287-T299 PolarHBondContact O-OG1 2.85Å; L289-T299 HydrophobicContact CB-CG2 4.41Å; L289-T299 HydrophobicContact CD1-CG2 3.64Å; L289-T299 HydrophobicContact CG-CG2 3.74Å
300D86Confident88.2Confident66 Ų6635.7 Ų35.735%0.35320%0.196SC..  trans53.680.1175.7-156.810.1000115.7K187 G302K187-D300 IonicContact NZ-OD1 2.94Å; K187-D300 PolarHBondContact NZ-OD1 3.44Å; D300-G302 PolarHBondContact O-N 3.24Å
301F87.1Confident87Confident3 Ų341.6 Ų41.61%0.01323%0.232CC..G310 helixtrans-85.915.8177.1-61.3-89.8000113.2E206 V209 L210 L219 V220 L273 Y280 L303 C304E206-F301 HydrophobicContact CG-CB 4.23Å; V209-F301 HydrophobicContact CG1-CB 3.99Å; V209-F301 HydrophobicContact CG1-CD1 3.75Å; V209-F301 HydrophobicContact CG1-CE1 4.47Å; V209-F301 HydrophobicContact CG1-CG 4Å; L210-F301 HydrophobicContact CD2-CD2 3.44Å; L210-F301 VanDerWaalsContact CD2-CD2 3.44Å; L210-F301 HydrophobicContact CD2-CE2 3.56Å; L210-F301 HydrophobicContact CD2-CG 4.41Å; L210-F301 HydrophobicContact CG-CD2 4Å; L219-F301 HydrophobicContact CB-CZ 4.21Å; L219-F301 HydrophobicContact CD2-CE1 4.19Å; L219-F301 HydrophobicContact CD2-CZ 4Å; V220-F301 HydrophobicContact CG1-CD2 4.19Å; V220-F301 HydrophobicContact CG1-CE2 3.48Å; V220-F301 VanDerWaalsContact CG1-CE2 3.48Å; V220-F301 HydrophobicContact CG1-CZ 4.42Å; L273-F301 HydrophobicContact CD1-CE1 4.14Å; L273-F301 HydrophobicContact CD2-CE1 4.23Å; Y280-F301 AromaticContact CD2-CD1 3.96Å; Y280-F301 HydrophobicContact CD2-CD1 3.96Å; Y280-F301 HydrophobicContact CD2-CE1 4.14Å; Y280-F301 AromaticContact CE2-CD1 3.93Å; Y280-F301 HydrophobicContact CE2-CD1 3.93Å; Y280-F301 HydrophobicContact CE2-CE1 4.07Å; F301-L303 PolarHBondContact O-N 3.08Å; F301-L303 VanDerWaalsContact O-N 3.16Å; F301-C304 HydrophobicContact CB-CB 4.47Å; F301-C304 VanDerWaalsContact CD1-SG 3.54Å; F301-C304 WeakPolarHBondContact O-CB 3.47Å; F301-C304 PolarHBondContact O-N 3.1Å; F301-C304 VanDerWaalsContact O-N 3.09Å
302G82.1Confident86.5Confident19 Ų1944.1 Ų44.120%0.19625%0.246CC..G310 helixtrans-61.9-23.1-175.500000114.5D300D300-G302 PolarHBondContact O-N 3.24Å
303L82.3Confident86.3Confident58 Ų5842 Ų4230%0.30424%0.24SC..G310 helixtrans-104.16.5178.1-64.5-175.2000113.6R281 D282 F301 C318R281-L303 PolarHBondContact NE-O 2.88Å; R281-L303 PolarHBondContact NH2-O 3.46Å; D282-L303 HydrophobicContact CB-CB 4.17Å; D282-L303 HydrophobicContact CB-CD1 3.77Å; D282-L303 HydrophobicContact CB-CG 4.44Å; F301-L303 PolarHBondContact O-N 3.08Å; F301-L303 VanDerWaalsContact O-N 3.16Å; L303-C318 HydrophobicContact CD1-CB 4.47Å; L303-C318 HydrophobicContact CD2-CB 4.29Å
304C86.6Confident85.9Confident11 Ų1137.5 Ų37.57%0.07422%0.219CC..  trans-63.1150.1177.7-72.10000112.7V209 I278 V279 R281 F301V209-C304 HydrophobicContact CG1-CB 4.39Å; V209-C304 HydrophobicContact CG2-CB 3.88Å; I278-C304 HydrophobicContact CG2-CB 4.08Å; V279-C304 CarbonylContact O-C 3.49Å; V279-C304 WeakPolarHBondContact O-CA 3.49Å; R281-C304 PolarHBondContact NH2-O 3.41Å; F301-C304 HydrophobicContact CB-CB 4.47Å; F301-C304 VanDerWaalsContact CD1-SG 3.54Å; F301-C304 WeakPolarHBondContact O-CB 3.47Å; F301-C304 PolarHBondContact O-N 3.1Å; F301-C304 VanDerWaalsContact O-N 3.09Å
305K84.8Confident85.3Confident49 Ų4939.4 Ų39.421%0.21323%0.233CC..EExtended strand (participates in β ladder)trans-120.9124169.4-167.371.7173.7-172.90109.3I278 V279 I308 T314I278-K305 WeakPolarHBondContact CA-O 3.21Å; V279-K305 PolarHBondContact N-O 3.49Å; V279-K305 PolarHBondContact O-N 3.45Å; K305-I308 HydrophobicContact CB-CG1 4.18Å; K305-I308 HydrophobicContact CG-CD1 3.84Å; K305-I308 HydrophobicContact CG-CG1 3.66Å; K305-T314 HydrophobicContact CG-CG2 4.41Å
306E84.6Confident84.4Confident48 Ų4840.3 Ų40.322%0.22424%0.238CC..EExtended strand (participates in β ladder)trans-91.9159175.1-52.2-170.1104.500111.2V209 K212 Y277 I278 I308V209-E306 HydrophobicContact CG2-CG 3.44Å; V209-E306 VanDerWaalsContact CG2-CG 3.44Å; K212-E306 VanDerWaalsContact CD-OE1 3.32Å; K212-E306 WeakPolarHBondContact CD-OE1 3.28Å; K212-E306 WeakPolarHBondContact CE-OE1 3.39Å; K212-E306 VanDerWaalsContact NZ-CD 3.32Å; K212-E306 IonicContact NZ-OE1 3.71Å; K212-E306 PolarHBondContact NZ-OE1 2.92Å; K212-E306 IonicContact NZ-OE2 2.87Å; Y277-E306 CarbonylContact O-C 3.51Å; I278-E306 HydrophobicContact CG1-CG 4.36Å; E306-I308 VanDerWaalsContact C-N 3.32Å
307G80.1Confident83.8Confident51 Ų5143.5 Ų43.553%0.52625%0.252SS..SBendtrans75.920.9171.200000113.7Y277Y277-G307 PolarHBondContact O-N 3.41Å
308I78.8Confident83Confident15 Ų1543.9 Ų43.98%0.07726%0.256CS..  trans-94.397.4174-54.5-60.2000107.7Y277 V279 K305 E306 D312Y277-I308 PolarHBondContact O-N 3Å; V279-I308 HydrophobicContact CG2-CB 3.9Å; V279-I308 HydrophobicContact CG2-CG1 4.17Å; V279-I308 HydrophobicContact CG2-CG2 4Å; K305-I308 HydrophobicContact CB-CG1 4.18Å; K305-I308 HydrophobicContact CG-CD1 3.84Å; K305-I308 HydrophobicContact CG-CG1 3.66Å; E306-I308 VanDerWaalsContact C-N 3.32Å; I308-D312 HydrophobicContact CG2-CB 4.28Å
309S75.3Confident82.2Confident32 Ų3245.1 Ų45.122%0.22427%0.268CS..  trans-74.5172.6167.377.40000111.3T311 D312S309-T311 PolarHBondContact O-N 2.97Å; S309-T311 PolarHBondContact OG-OG1 2.91Å; S309-D312 WeakPolarHBondContact CB-OD2 3.23Å; S309-D312 PolarHBondContact N-OD2 3.06Å; S309-D312 PolarHBondContact O-N 3.34Å; S309-D312 PolarHBondContact OG-OD2 3.47Å
310Q66.1Low81.7Confident144 Ų14445.1 Ų45.167%0.67327%0.268SS*.THydrogen-bonded Turntrans-58.2-19.6178.5-68.7-178.3-4.400113.8
311T72.8Confident81.8Confident125 Ų12544 Ų4477%0.76726%0.264SS*.THydrogen-bonded Turntrans-99.5-10.1177.353.90000113.6S309S309-T311 PolarHBondContact O-N 2.97Å; S309-T311 PolarHBondContact OG-OG1 2.91Å
312D83.1Confident82Confident68 Ų6846.7 Ų46.736%0.36428%0.277SS..  trans-92.8157.3-177-59-40.3000110.6I308 S309I308-D312 HydrophobicContact CG2-CB 4.28Å; S309-D312 WeakPolarHBondContact CB-OD2 3.23Å; S309-D312 PolarHBondContact N-OD2 3.06Å; S309-D312 PolarHBondContact O-N 3.34Å; S309-D312 PolarHBondContact OG-OD2 3.47Å
313T88.6Confident82.7Confident59 Ų5946.3 Ų46.336%0.36227%0.269SS..  trans-138.2163.7176.154.80000110.3P333 Y334T313-P333 HydrophobicContact CG2-CB 4.24Å; T313-P333 WeakPolarHBondContact OG1-CB 3.48Å; T313-Y334 CarbonylContact C-O 3.55Å; T313-Y334 WeakPolarHBondContact CA-O 3.32Å; T313-Y334 WeakPolarHBondContact CB-O 3.46Å
314T86.2Confident83.3Confident2 Ų243.8 Ų43.81%0.01226%0.256CS..BIsolated β-bridgetrans-129.6153.8169.4-170.80000109.8K305 T316 P333 Y334K305-T314 HydrophobicContact CG-CG2 4.41Å; T314-T316 PolarHBondContact OG1-OG1 3.16Å; T314-P333 WeakPolarHBondContact O-CA 3.38Å; T314-Y334 HydrophobicContact CG2-CD2 3.98Å; T314-Y334 HydrophobicContact CG2-CE1 4.21Å; T314-Y334 HydrophobicContact CG2-CE2 3.42Å; T314-Y334 VanDerWaalsContact CG2-CE2 3.42Å; T314-Y334 PolarHBondContact N-O 3.16Å; T314-Y334 VanDerWaalsContact O-CD1 3.27Å; T314-Y334 WeakPolarHBondContact O-CD1 3.5Å; T314-Y334 WeakPolarHBondContact O-CE1 3.48Å; T314-Y334 PolarHBondContact O-N 3.4Å
315S84.2Confident83.8Confident41 Ų4143.4 Ų43.429%0.28725%0.254SS..  trans-113.21.3-178.461.60000114.1D133 F317D133-S315 PolarHBondContact OD1-OG 3.35Å; D133-S315 WeakPolarHBondContact OD2-CB 3.45Å; D133-S315 PolarHBondContact OD2-N 3.32Å; D133-S315 PolarHBondContact OD2-OG 2.93Å; S315-F317 PolarHBondContact O-N 3.15Å
316T80.4Confident84.5Confident22 Ų2241 Ų4114%0.13524%0.244CC..  trans-60.6123.1-176.8-44.60000111.1T314 C318 Y334T314-T316 PolarHBondContact OG1-OG1 3.16Å; T316-C318 HydrophobicContact CG2-CB 4.39Å; T316-C318 PolarHBondContact O-N 3.43Å; T316-Y334 VanDerWaalsContact O-CE1 3.25Å; T316-Y334 WeakPolarHBondContact O-CE1 3.4Å; T316-Y334 PolarHBondContact O-OH 2.94Å
317F84.6Confident85.1Confident67 Ų6738.9 Ų38.929%0.29423%0.234SC..  trans-78100.9171.9-171.5-84.2000109.9S315 L324 V328 L329 K331S315-F317 PolarHBondContact O-N 3.15Å; F317-L324 HydrophobicContact CE1-CD1 4.25Å; F317-L324 HydrophobicContact CZ-CD1 3.79Å; F317-V328 HydrophobicContact CD2-CG1 4.06Å; F317-V328 WeakPolarHBondContact CD2-O 3.39Å; F317-V328 HydrophobicContact CE2-CG1 4.36Å; F317-L329 HydrophobicContact CE2-CD2 4.24Å; F317-L329 HydrophobicContact CZ-CD2 4.21Å; F317-K331 HydrophobicContact CD2-CG 4.43Å
318C80.2Confident85.8Confident18 Ų1836.9 Ų36.912%0.12221%0.211CC..  trans-146169.3178.565.40000111.7R281 L303 T316 L324R281-C318 VanDerWaalsContact CZ-SG 3.56Å; L303-C318 HydrophobicContact CD1-CB 4.47Å; L303-C318 HydrophobicContact CD2-CB 4.29Å; T316-C318 HydrophobicContact CG2-CB 4.39Å; T316-C318 PolarHBondContact O-N 3.43Å; C318-L324 WeakPolarHBondContact O-CD2 3.48Å
319G79.9Confident86.5Confident25 Ų2537.3 Ų37.326%0.25821%0.213SC..SBendtrans110.4176.9-176.900000112.6
320T83Confident87.4Confident25 Ų2540.5 Ų40.515%0.15322%0.22CC..  trans-93.1130.5-176.1-59.70000110.5D282 K284 E322 Y323 L324D282-T320 PolarHBondContact OD1-N 3.29Å; D282-T320 PolarHBondContact OD1-OG1 3.18Å; K284-T320 HydrophobicContact CD-CG2 4.11Å; K284-T320 VanDerWaalsContact CD-OG1 3.29Å; K284-T320 WeakPolarHBondContact CD-OG1 3.4Å; K284-T320 PolarHBondContact NZ-OG1 2.53Å; T320-E322 VanDerWaalsContact C-N 3.25Å; T320-E322 WeakPolarHBondContact CG2-OE2 3.47Å; T320-E322 PolarHBondContact O-N 3.19Å; T320-Y323 HydrophobicContact CG2-CD2 3.91Å; T320-Y323 HydrophobicContact CG2-CE2 4.23Å; T320-Y323 PolarHBondContact O-N 3.5Å; T320-L324 PolarHBondContact O-N 3.23Å
321P88.1Confident88.6Confident41 Ų4140.7 Ų40.727%0.26622%0.219SC..THydrogen-bonded Turntrans-47.5-40.4-168.3-33.137.5000116Y323 M365 Y366P321-Y323 VanDerWaalsContact C-N 3.26Å; P321-Y323 PolarHBondContact O-N 2.73Å; P321-M365 HydrophobicContact CB-CE 3.64Å; P321-Y366 HydrophobicContact CB-CE1 3.99Å
322E90.9Very high89.5Confident60 Ų6039 Ų3928%0.2820%0.203SC..THydrogen-bonded Turntrans-69.1-20.9-178.4-66.480.6175.400113.9T320 P355 Y358 M365T320-E322 VanDerWaalsContact C-N 3.25Å; T320-E322 WeakPolarHBondContact CG2-OE2 3.47Å; T320-E322 PolarHBondContact O-N 3.19Å; E322-P355 HydrophobicContact CB-CB 4.28Å; E322-P355 HydrophobicContact CB-CG 3.97Å; E322-P355 HydrophobicContact CG-CG 4.41Å; E322-Y358 HydrophobicContact CG-CD2 3.92Å; E322-Y358 HydrophobicContact CG-CE2 4.18Å; E322-M365 HydrophobicContact CB-SD 4.36Å; E322-M365 HydrophobicContact CG-CE 4.09Å; E322-M365 HydrophobicContact CG-SD 3.85Å
323Y96.3Very high89.9Confident11 Ų1138.8 Ų38.84%0.04320%0.204CC..THydrogen-bonded Turntrans-115.1-1.1-174.8-53.7-89.8000112.7K284 P285 T320 P321 A325 W341 C342 V346 E349 P355K284-Y323 HydrophobicContact CB-CD1 4.46Å; K284-Y323 HydrophobicContact CB-CD2 3.83Å; K284-Y323 HydrophobicContact CB-CE1 4.33Å; K284-Y323 HydrophobicContact CB-CE2 3.64Å; K284-Y323 HydrophobicContact CB-CG 4.25Å; P285-Y323 WeakPolarHBondContact CD-OH 3.41Å; T320-Y323 HydrophobicContact CG2-CD2 3.91Å; T320-Y323 HydrophobicContact CG2-CE2 4.23Å; T320-Y323 PolarHBondContact O-N 3.5Å; P321-Y323 VanDerWaalsContact C-N 3.26Å; P321-Y323 PolarHBondContact O-N 2.73Å; Y323-A325 PolarHBondContact O-N 2.88Å; Y323-W341 VanDerWaalsContact O-CD1 3.25Å; Y323-W341 PolarHBondContact O-NE1 3.17Å; Y323-C342 PolarHBondContact O-SG 3.47Å; Y323-C342 VanDerWaalsContact O-SG 3.42Å; Y323-V346 HydrophobicContact CD1-CG2 4.22Å; Y323-V346 HydrophobicContact CE1-CG2 4.02Å; Y323-E349 WeakPolarHBondContact CE1-OE2 3.47Å; Y323-E349 PolarHBondContact OH-OE2 3.11Å; Y323-P355 HydrophobicContact CE1-CG 4.4Å
324L95.3Very high90.1Very high6 Ų636.1 Ų36.13%0.03119%0.188CC..  trans-60.2131.1178.9-69.9178.1000111.6F317 C318 T320 V328 L329 W341 Y366 I369F317-L324 HydrophobicContact CE1-CD1 4.25Å; F317-L324 HydrophobicContact CZ-CD1 3.79Å; C318-L324 WeakPolarHBondContact O-CD2 3.48Å; T320-L324 PolarHBondContact O-N 3.23Å; L324-V328 HydrophobicContact CD2-CG1 4.07Å; L324-L329 HydrophobicContact CB-CD2 4.03Å; L324-L329 HydrophobicContact CB-CG 4.08Å; L324-L329 HydrophobicContact CD1-CD2 3.59Å; L324-L329 HydrophobicContact CG-CD2 4.45Å; L324-W341 PolarHBondContact O-NE1 3.4Å; L324-Y366 HydrophobicContact CD1-CE1 4.31Å; L324-I369 WeakPolarHBondContact O-CG2 3.1Å
325A97.6Very high90.5Very high2 Ų237.2 Ų37.22%0.01719%0.194CC..  trans-72.4152.8174.400000111.8Y323 E327 V328 L329 V338 W341Y323-A325 PolarHBondContact O-N 2.88Å; A325-E327 VanDerWaalsContact C-N 3.31Å; A325-E327 HydrophobicContact CB-CG 4.41Å; A325-E327 PolarHBondContact O-N 3.4Å; A325-V328 HydrophobicContact CB-CG2 4.24Å; A325-V328 PolarHBondContact O-N 3.38Å; A325-V328 VanDerWaalsContact O-N 3.11Å; A325-L329 PolarHBondContact O-N 2.7Å; A325-L329 VanDerWaalsContact O-N 3.15Å; A325-V338 HydrophobicContact CB-CB 4.26Å; A325-V338 HydrophobicContact CB-CG1 4.05Å; A325-W341 HydrophobicContact CB-CB 3.96Å; A325-W341 HydrophobicContact CB-CD2 4.24Å; A325-W341 HydrophobicContact CB-CG 3.71Å
326P98.1Very high91Very high0 Ų036.3 Ų36.30%019%0.186CC..Hα-helixtrans-57.1-38.9-177.9-28.337.7000114.3L329 R330 W341 I369 L370 K394P326-L329 PolarHBondContact O-N 3.02Å; P326-R330 WeakPolarHBondContact O-CG 3.48Å; P326-R330 PolarHBondContact O-N 2.83Å; P326-W341 HydrophobicContact CG-CE3 4.21Å; P326-W341 HydrophobicContact CG-CH2 3.55Å; P326-W341 HydrophobicContact CG-CZ2 4.01Å; P326-W341 HydrophobicContact CG-CZ3 3.66Å; P326-I369 HydrophobicContact CG-CG2 3.99Å; P326-L370 HydrophobicContact CB-CD2 4.21Å; P326-K394 HydrophobicContact CG-CB 4.12Å; P326-K394 HydrophobicContact CG-CG 4.26Å
327E97.8Very high91.8Very high3 Ų335.5 Ų35.51%0.01418%0.18CC..Hα-helixtrans-65.1-35.6177.759.4-86.8-153.900112.7A325 R330 K331 Q332 V338 R399A325-E327 VanDerWaalsContact C-N 3.31Å; A325-E327 HydrophobicContact CB-CG 4.41Å; A325-E327 PolarHBondContact O-N 3.4Å; E327-R330 CarbonylContact O-C 3.6Å; E327-R330 PolarHBondContact O-N 3.01Å; E327-K331 PolarHBondContact O-N 3.37Å; E327-Q332 HydrophobicContact CB-CB 4.33Å; E327-Q332 PolarHBondContact O-N 3.15Å; E327-V338 HydrophobicContact CG-CG1 4.2Å; E327-V338 WeakPolarHBondContact OE1-CG1 3.47Å; E327-R399 IonicContact OE1-CZ 2.83Å; E327-R399 IonicContact OE1-NH1 2.7Å; E327-R399 PolarHBondContact OE1-NH1 3.43Å; E327-R399 IonicContact OE1-NH2 2.85Å; E327-R399 PolarHBondContact OE1-NH2 2.96Å; E327-R399 IonicContact OE2-CZ 3.6Å; E327-R399 IonicContact OE2-NH1 3.36Å; E327-R399 IonicContact OE2-NH2 2.69Å; E327-R399 PolarHBondContact OE2-NH2 3.05Å
328V95.3Very high92.4Very high8 Ų832.5 Ų32.55%0.04817%0.168CC..Hα-helixtrans-67.6-44.7175-176.10000109.9F317 L324 A325 R330 K331 Y334 V338F317-V328 HydrophobicContact CD2-CG1 4.06Å; F317-V328 WeakPolarHBondContact CD2-O 3.39Å; F317-V328 HydrophobicContact CE2-CG1 4.36Å; L324-V328 HydrophobicContact CD2-CG1 4.07Å; A325-V328 HydrophobicContact CB-CG2 4.24Å; A325-V328 PolarHBondContact O-N 3.38Å; A325-V328 VanDerWaalsContact O-N 3.11Å; V328-R330 VanDerWaalsContact C-N 3.27Å; V328-R330 PolarHBondContact O-N 2.62Å; V328-K331 WeakPolarHBondContact O-CA 3.36Å; V328-K331 PolarHBondContact O-N 3.06Å; V328-Y334 HydrophobicContact CG1-CE1 4.4Å; V328-Y334 HydrophobicContact CG2-CD1 3.79Å; V328-Y334 HydrophobicContact CG2-CD2 4.4Å; V328-Y334 HydrophobicContact CG2-CE1 3.91Å; V328-Y334 HydrophobicContact CG2-CE2 4.5Å; V328-Y334 HydrophobicContact CG2-CG 4.06Å; V328-V338 HydrophobicContact CG2-CG1 3.88Å
329L93.8Very high93.3Very high24 Ų2431.7 Ų31.713%0.12616%0.162CC..Hα-helixtrans-61.4-35.1175.2-70.8-177.4000112.9F317 L324 A325 P326 K331 Y366 I369 L370F317-L329 HydrophobicContact CE2-CD2 4.24Å; F317-L329 HydrophobicContact CZ-CD2 4.21Å; L324-L329 HydrophobicContact CB-CD2 4.03Å; L324-L329 HydrophobicContact CB-CG 4.08Å; L324-L329 HydrophobicContact CD1-CD2 3.59Å; L324-L329 HydrophobicContact CG-CD2 4.45Å; A325-L329 PolarHBondContact O-N 2.7Å; A325-L329 VanDerWaalsContact O-N 3.15Å; P326-L329 PolarHBondContact O-N 3.02Å; L329-K331 PolarHBondContact O-N 2.77Å; L329-Y366 HydrophobicContact CD1-CD1 3.98Å; L329-Y366 HydrophobicContact CD1-CG 4.15Å; L329-Y366 HydrophobicContact CD2-CD1 3.77Å; L329-Y366 HydrophobicContact CD2-CD2 4.13Å; L329-Y366 HydrophobicContact CD2-CE1 3.83Å; L329-Y366 HydrophobicContact CD2-CE2 4.18Å; L329-Y366 HydrophobicContact CD2-CG 3.93Å; L329-I369 HydrophobicContact CD1-CB 3.74Å; L329-I369 HydrophobicContact CD1-CD1 3.99Å; L329-I369 HydrophobicContact CD1-CG1 4.48Å; L329-I369 HydrophobicContact CD1-CG2 3.49Å; L329-I369 VanDerWaalsContact CD1-CG2 3.49Å; L329-L370 HydrophobicContact CB-CD2 3.97Å; L329-L370 HydrophobicContact CB-CG 4.44Å; L329-L370 HydrophobicContact CD1-CD2 4.46Å; L329-L370 HydrophobicContact CD1-CG 4.27Å
330R93Very high94.2Very high99 Ų9930.5 Ų30.537%0.37415%0.15SC..THydrogen-bonded Turntrans-76.6-3.7174-70.5-179.1-176113.45.5113.6P326 E327 V328 Q332 L370P326-R330 WeakPolarHBondContact O-CG 3.48Å; P326-R330 PolarHBondContact O-N 2.83Å; E327-R330 CarbonylContact O-C 3.6Å; E327-R330 PolarHBondContact O-N 3.01Å; V328-R330 VanDerWaalsContact C-N 3.27Å; V328-R330 PolarHBondContact O-N 2.62Å; R330-Q332 HydrophobicContact CB-CG 3.85Å; R330-Q332 PolarHBondContact O-N 2.85Å; R330-L370 HydrophobicContact CG-CD2 3.71Å; R330-L370 PolarHBondContact NH2-O 3.17Å
331K91.4Very high95Very high149 Ų14929.3 Ų29.365%0.64814%0.143SC*.THydrogen-bonded Turntrans55.435.3-173.8-53-178.2177.8-172.60112.4F317 E327 V328 L329F317-K331 HydrophobicContact CD2-CG 4.43Å; E327-K331 PolarHBondContact O-N 3.37Å; V328-K331 WeakPolarHBondContact O-CA 3.36Å; V328-K331 PolarHBondContact O-N 3.06Å; L329-K331 PolarHBondContact O-N 2.77Å
332Q92.3Very high95.5Very high90 Ų9027.7 Ų27.742%0.42113%0.132SC..  trans-85.8149.2173.8-69.3173.9-19.600109.2E327 R330 Y334E327-Q332 HydrophobicContact CB-CB 4.33Å; E327-Q332 PolarHBondContact O-N 3.15Å; R330-Q332 HydrophobicContact CB-CG 3.85Å; R330-Q332 PolarHBondContact O-N 2.85Å; Q332-Y334 WeakPolarHBondContact O-CD1 3.39Å; Q332-Y334 PolarHBondContact O-N 3.49Å
333P92.2Very high95.9Very high62 Ų6224.9 Ų24.940%0.40312%0.119SC..  trans-57133.7167.9-21.432.3000109.9T313 T314 R396T313-P333 HydrophobicContact CG2-CB 4.24Å; T313-P333 WeakPolarHBondContact OG1-CB 3.48Å; T314-P333 WeakPolarHBondContact O-CA 3.38Å; P333-R396 PolarHBondContact O-NH1 3.34Å; P333-R396 PolarHBondContact O-NH2 3.2Å
334Y92.7Very high96Very high4 Ų424.3 Ų24.32%0.01612%0.117CC..BIsolated β-bridgetrans-132.7165.3-175.764.8-95.9000111.4R281 T313 T314 T316 V328 Q332 V338R281-Y334 WeakPolarHBondContact CD-OH 3.33Å; R281-Y334 HydrophobicContact CG-CE2 4.43Å; R281-Y334 PolarHBondContact NH1-OH 3.14Å; T313-Y334 CarbonylContact C-O 3.55Å; T313-Y334 WeakPolarHBondContact CA-O 3.32Å; T313-Y334 WeakPolarHBondContact CB-O 3.46Å; T314-Y334 HydrophobicContact CG2-CD2 3.98Å; T314-Y334 HydrophobicContact CG2-CE1 4.21Å; T314-Y334 HydrophobicContact CG2-CE2 3.42Å; T314-Y334 VanDerWaalsContact CG2-CE2 3.42Å; T314-Y334 PolarHBondContact N-O 3.16Å; T314-Y334 VanDerWaalsContact O-CD1 3.27Å; T314-Y334 WeakPolarHBondContact O-CD1 3.5Å; T314-Y334 WeakPolarHBondContact O-CE1 3.48Å; T314-Y334 PolarHBondContact O-N 3.4Å; T316-Y334 VanDerWaalsContact O-CE1 3.25Å; T316-Y334 WeakPolarHBondContact O-CE1 3.4Å; T316-Y334 PolarHBondContact O-OH 2.94Å; V328-Y334 HydrophobicContact CG1-CE1 4.4Å; V328-Y334 HydrophobicContact CG2-CD1 3.79Å; V328-Y334 HydrophobicContact CG2-CD2 4.4Å; V328-Y334 HydrophobicContact CG2-CE1 3.91Å; V328-Y334 HydrophobicContact CG2-CE2 4.5Å; V328-Y334 HydrophobicContact CG2-CG 4.06Å; Q332-Y334 WeakPolarHBondContact O-CD1 3.39Å; Q332-Y334 PolarHBondContact O-N 3.49Å; Y334-V338 HydrophobicContact CD2-CB 4.36Å; Y334-V338 HydrophobicContact CD2-CG1 3.43Å; Y334-V338 VanDerWaalsContact CD2-CG1 3.43Å; Y334-V338 HydrophobicContact CD2-CG2 4.02Å; Y334-V338 HydrophobicContact CE2-CG1 4.2Å; Y334-V338 HydrophobicContact CE2-CG2 4.18Å; Y334-V338 HydrophobicContact CG-CG1 3.81Å
335D93.9Very high96.1Very high25 Ų2524 Ų2413%0.13412%0.115CC..  trans-128.1-160.2-175.654.233.9000110.3T337 V338 R396D335-T337 PolarHBondContact O-N 3.41Å; D335-T337 VanDerWaalsContact O-N 3.15Å; D335-T337 VanDerWaalsContact OD1-CB 3.24Å; D335-T337 WeakPolarHBondContact OD1-CB 3.43Å; D335-T337 VanDerWaalsContact OD1-CG2 3.25Å; D335-T337 WeakPolarHBondContact OD1-CG2 3.34Å; D335-T337 PolarHBondContact OD1-N 3.38Å; D335-T337 PolarHBondContact OD1-OG1 3.24Å; D335-V338 WeakPolarHBondContact O-CG2 3.37Å; D335-V338 PolarHBondContact O-N 3.12Å; D335-R396 VanDerWaalsContact CG-NH1 3.34Å; D335-R396 IonicContact OD1-NH1 3.2Å; D335-R396 IonicContact OD2-CZ 3.56Å; D335-R396 IonicContact OD2-NH1 2.62Å; D335-R396 PolarHBondContact OD2-NH1 2.93Å
336N95.1Very high96.2Very high22 Ų2224 Ų2412%0.11812%0.115CC..THydrogen-bonded Turntrans-60-17.2178.161.6-50.7000114.8V279 V338 D339 D405V279-N336 HydrophobicContact CG2-CB 4.03Å; N336-V338 PolarHBondContact O-N 3.02Å; N336-V338 VanDerWaalsContact O-N 3.1Å; N336-D339 PolarHBondContact O-N 3.45Å; N336-D405 PolarHBondContact ND2-OD1 2.74Å
337T97.1Very high96.2Very high4 Ų424 Ų243%0.02512%0.115CC..Hα-helixtrans-65.4-14.7-179.861.40000114.1D335 D339 W340 W341 R399D335-T337 PolarHBondContact O-N 3.41Å; D335-T337 VanDerWaalsContact O-N 3.15Å; D335-T337 VanDerWaalsContact OD1-CB 3.24Å; D335-T337 WeakPolarHBondContact OD1-CB 3.43Å; D335-T337 VanDerWaalsContact OD1-CG2 3.25Å; D335-T337 WeakPolarHBondContact OD1-CG2 3.34Å; D335-T337 PolarHBondContact OD1-N 3.38Å; D335-T337 PolarHBondContact OD1-OG1 3.24Å; T337-D339 VanDerWaalsContact C-N 3.27Å; T337-D339 PolarHBondContact O-N 3.31Å; T337-W340 PolarHBondContact O-N 3.5Å; T337-W341 PolarHBondContact O-N 3.37Å; T337-R399 PolarHBondContact O-NH1 2.86Å
338V97.8Very high96.3Very high5 Ų524.1 Ų24.13%0.0312%0.115CC..Hα-helixtrans-65.2-31.9172.3-600000112V279 R281 A325 E327 V328 Y334 D335 N336 W340 W341 C342V279-V338 HydrophobicContact CG1-CG2 3.87Å; R281-V338 HydrophobicContact CG-CG2 4.24Å; A325-V338 HydrophobicContact CB-CB 4.26Å; A325-V338 HydrophobicContact CB-CG1 4.05Å; E327-V338 HydrophobicContact CG-CG1 4.2Å; E327-V338 WeakPolarHBondContact OE1-CG1 3.47Å; V328-V338 HydrophobicContact CG2-CG1 3.88Å; Y334-V338 HydrophobicContact CD2-CB 4.36Å; Y334-V338 HydrophobicContact CD2-CG1 3.43Å; Y334-V338 VanDerWaalsContact CD2-CG1 3.43Å; Y334-V338 HydrophobicContact CD2-CG2 4.02Å; Y334-V338 HydrophobicContact CE2-CG1 4.2Å; Y334-V338 HydrophobicContact CE2-CG2 4.18Å; Y334-V338 HydrophobicContact CG-CG1 3.81Å; D335-V338 WeakPolarHBondContact O-CG2 3.37Å; D335-V338 PolarHBondContact O-N 3.12Å; N336-V338 PolarHBondContact O-N 3.02Å; N336-V338 VanDerWaalsContact O-N 3.1Å; V338-W340 VanDerWaalsContact C-N 3.33Å; V338-W340 PolarHBondContact O-N 2.87Å; V338-W341 WeakPolarHBondContact O-CB 3.2Å; V338-W341 PolarHBondContact O-N 2.87Å; V338-C342 PolarHBondContact O-N 3.1Å; V338-C342 PolarHBondContact O-SG 3.47Å
339D98.5Very high96.4Very high0 Ų024 Ų240%011%0.114CC..Hα-helixtrans-70.4-33.5178.9-73.8-22.4000111.4L270 H274 V279 Y280 R281 N336 T337 C342 L343L270-D339 HydrophobicContact CD1-CB 4.15Å; L270-D339 HydrophobicContact CD2-CB 3.98Å; H274-D339 IonicContact NE2-OD2 3.32Å; H274-D339 PolarHBondContact NE2-OD2 2.96Å; H274-D339 VanDerWaalsContact NE2-OD2 3.13Å; V279-D339 VanDerWaalsContact CG1-OD2 3.3Å; V279-D339 WeakPolarHBondContact CG1-OD2 3.41Å; Y280-D339 WeakPolarHBondContact CB-OD2 3.39Å; Y280-D339 PolarHBondContact N-OD2 3.2Å; R281-D339 WeakPolarHBondContact CA-OD1 3.45Å; R281-D339 PolarHBondContact N-OD1 2.8Å; N336-D339 PolarHBondContact O-N 3.45Å; T337-D339 VanDerWaalsContact C-N 3.27Å; T337-D339 PolarHBondContact O-N 3.31Å; D339-C342 PolarHBondContact O-N 2.94Å; D339-L343 WeakPolarHBondContact O-CB 3.25Å; D339-L343 PolarHBondContact O-N 3.47Å
340W98.8Very high96.6Very high0 Ų022.9 Ų22.90%011%0.108CC..Hα-helixtrans-67.9-35.3173.1-58.6134.1000112.6A267 L270 H274 T337 V338 L343 G344 L391 D405 F406 I409A267-W340 HydrophobicContact CB-CZ3 4.12Å; L270-W340 HydrophobicContact CB-CH2 3.91Å; L270-W340 HydrophobicContact CB-CZ3 3.97Å; L270-W340 HydrophobicContact CD1-CE3 4.23Å; L270-W340 HydrophobicContact CD1-CZ3 3.95Å; H274-W340 AromaticContact CE1-CE2 3.68Å; H274-W340 AromaticContact CE1-CZ2 3.65Å; H274-W340 AromaticContact CE1-NE1 3.81Å; H274-W340 AromaticContact ND1-CE2 3.88Å; H274-W340 AromaticContact ND1-CZ2 3.55Å; H274-W340 AromaticContact ND1-NE1 3.96Å; T337-W340 PolarHBondContact O-N 3.5Å; V338-W340 VanDerWaalsContact C-N 3.33Å; V338-W340 PolarHBondContact O-N 2.87Å; W340-L343 HydrophobicContact CE3-CB 4.45Å; W340-L343 HydrophobicContact CE3-CD2 3.72Å; W340-L343 HydrophobicContact CZ3-CD2 3.88Å; W340-L343 PolarHBondContact O-N 2.88Å; W340-G344 PolarHBondContact O-N 3.08Å; W340-L391 HydrophobicContact CB-CD2 3.95Å; W340-D405 VanDerWaalsContact CE2-OD1 3.32Å; W340-D405 VanDerWaalsContact CZ2-OD1 3.31Å; W340-D405 WeakPolarHBondContact CZ2-OD1 2.9Å; W340-D405 PolarHBondContact NE1-OD1 3.16Å; W340-F406 HydrophobicContact CH2-CB 4.14Å; W340-F406 AromaticContact CH2-CD2 4Å; W340-F406 HydrophobicContact CH2-CD2 4Å; W340-F406 HydrophobicContact CZ2-CB 4.09Å; W340-I409 HydrophobicContact CD2-CD1 4.19Å; W340-I409 HydrophobicContact CD2-CG1 4.03Å; W340-I409 HydrophobicContact CE3-CD1 4.26Å; W340-I409 HydrophobicContact CE3-CG1 3.87Å; W340-I409 HydrophobicContact CH2-CG1 4Å; W340-I409 HydrophobicContact CZ2-CG1 4.13Å; W340-I409 HydrophobicContact CZ3-CG1 3.86Å
341W98.8Very high96.9Very high1 Ų119 Ų190%0.00410%0.095CC..Hα-helixtrans-62.4-45.6170.2173.8-85000111.7Y323 L324 A325 P326 T337 V338 L343 G344 S345 F357 I369 L392 K394Y323-W341 VanDerWaalsContact O-CD1 3.25Å; Y323-W341 PolarHBondContact O-NE1 3.17Å; L324-W341 PolarHBondContact O-NE1 3.4Å; A325-W341 HydrophobicContact CB-CB 3.96Å; A325-W341 HydrophobicContact CB-CD2 4.24Å; A325-W341 HydrophobicContact CB-CG 3.71Å; P326-W341 HydrophobicContact CG-CE3 4.21Å; P326-W341 HydrophobicContact CG-CH2 3.55Å; P326-W341 HydrophobicContact CG-CZ2 4.01Å; P326-W341 HydrophobicContact CG-CZ3 3.66Å; T337-W341 PolarHBondContact O-N 3.37Å; V338-W341 WeakPolarHBondContact O-CB 3.2Å; V338-W341 PolarHBondContact O-N 2.87Å; W341-L343 VanDerWaalsContact C-N 3.34Å; W341-L343 PolarHBondContact O-N 2.79Å; W341-G344 PolarHBondContact O-N 3.4Å; W341-S345 PolarHBondContact O-N 3.11Å; W341-S345 PolarHBondContact O-OG 3.44Å; W341-F357 HydrophobicContact CH2-CD2 4.29Å; W341-F357 AromaticContact CH2-CE2 3.6Å; W341-F357 HydrophobicContact CH2-CE2 3.6Å; W341-F357 HydrophobicContact CH2-CZ 4.43Å; W341-F357 HydrophobicContact CZ2-CD2 4.01Å; W341-F357 AromaticContact CZ2-CE2 3.73Å; W341-F357 HydrophobicContact CZ2-CE2 3.73Å; W341-I369 HydrophobicContact CH2-CG2 4.44Å; W341-I369 HydrophobicContact CZ2-CG2 3.89Å; W341-L392 HydrophobicContact CD2-CD2 4.01Å; W341-L392 HydrophobicContact CE3-CD2 4.12Å; W341-L392 HydrophobicContact CH2-CD2 4.44Å; W341-L392 HydrophobicContact CZ2-CD2 4.31Å; W341-L392 HydrophobicContact CZ3-CB 4.22Å; W341-L392 HydrophobicContact CZ3-CD2 4.34Å; W341-L392 WeakPolarHBondContact CZ3-O 3.37Å; W341-K394 HydrophobicContact CH2-CG 4.44Å; W341-K394 HydrophobicContact CZ3-CG 4.36Å
342C98.6Very high97.2Very high7 Ų713.8 Ų13.85%0.0477%0.072CC..Hα-helixtrans-62.7-41.5176.9-62.30000111.3L283 Y323 V338 D339 G344 S345 V346L283-C342 HydrophobicContact CB-CB 3.73Å; L283-C342 HydrophobicContact CD2-CB 4.27Å; Y323-C342 PolarHBondContact O-SG 3.47Å; Y323-C342 VanDerWaalsContact O-SG 3.42Å; V338-C342 PolarHBondContact O-N 3.1Å; V338-C342 PolarHBondContact O-SG 3.47Å; D339-C342 PolarHBondContact O-N 2.94Å; C342-G344 VanDerWaalsContact C-N 3.32Å; C342-G344 PolarHBondContact O-N 3.47Å; C342-S345 WeakPolarHBondContact O-CB 3.18Å; C342-S345 PolarHBondContact O-N 2.93Å; C342-S345 VanDerWaalsContact O-N 3.08Å; C342-V346 WeakPolarHBondContact O-CG2 3.49Å; C342-V346 PolarHBondContact O-N 3.24Å
343L98.9Very high97.3Very high0 Ų010.3 Ų10.30%06%0.061CC..Hα-helixtrans-57.6-44.6174.5-171.675.2000111.6I263 M266 A267 L270 L283 D339 W340 W341 S345 V346 L347 L391 I409I263-L343 HydrophobicContact CD1-CD1 3.84Å; I263-L343 HydrophobicContact CD1-CG 4.29Å; I263-L343 HydrophobicContact CG2-CD1 4.02Å; I263-L343 HydrophobicContact CG2-CD2 4.06Å; I263-L343 HydrophobicContact CG2-CG 4.02Å; M266-L343 HydrophobicContact CB-CD1 3.59Å; M266-L343 HydrophobicContact SD-CD1 4.22Å; A267-L343 HydrophobicContact CB-CD2 3.92Å; L270-L343 HydrophobicContact CD1-CB 4.4Å; L270-L343 HydrophobicContact CD1-CD1 4.31Å; L283-L343 HydrophobicContact CD2-CB 4.13Å; L283-L343 HydrophobicContact CD2-CD1 4.04Å; D339-L343 WeakPolarHBondContact O-CB 3.25Å; D339-L343 PolarHBondContact O-N 3.47Å; W340-L343 HydrophobicContact CE3-CB 4.45Å; W340-L343 HydrophobicContact CE3-CD2 3.72Å; W340-L343 HydrophobicContact CZ3-CD2 3.88Å; W340-L343 PolarHBondContact O-N 2.88Å; W341-L343 VanDerWaalsContact C-N 3.34Å; W341-L343 PolarHBondContact O-N 2.79Å; L343-S345 VanDerWaalsContact C-N 3.33Å; L343-S345 PolarHBondContact O-N 3.48Å; L343-V346 PolarHBondContact O-N 2.62Å; L343-L347 WeakPolarHBondContact O-CB 3.22Å; L343-L347 PolarHBondContact O-N 2.73Å; L343-L391 HydrophobicContact CD2-CD1 4.21Å; L343-L391 HydrophobicContact CG-CD1 4.42Å; L343-I409 HydrophobicContact CD2-CG2 4.44Å
344G98.8Very high97.4Very high0 Ų011.7 Ų11.70%06%0.064CC..Hα-helixtrans-62.6-38.8174.400000112.8W340 W341 C342 L347 Y348 L388W340-G344 PolarHBondContact O-N 3.08Å; W341-G344 PolarHBondContact O-N 3.4Å; C342-G344 VanDerWaalsContact C-N 3.32Å; C342-G344 PolarHBondContact O-N 3.47Å; G344-L347 PolarHBondContact O-N 2.9Å; G344-Y348 WeakPolarHBondContact O-CB 3.42Å; G344-Y348 PolarHBondContact O-N 2.84Å; G344-L388 WeakPolarHBondContact O-CD2 3.25Å
345S98.7Very high97.5Very high0 Ų012 Ų120%07%0.066CC..Hα-helixtrans-67.6-42.9178.8-62.20000111.8W341 C342 L343 Y348 E349W341-S345 PolarHBondContact O-N 3.11Å; W341-S345 PolarHBondContact O-OG 3.44Å; C342-S345 WeakPolarHBondContact O-CB 3.18Å; C342-S345 PolarHBondContact O-N 2.93Å; C342-S345 VanDerWaalsContact O-N 3.08Å; L343-S345 VanDerWaalsContact C-N 3.33Å; L343-S345 PolarHBondContact O-N 3.48Å; S345-Y348 PolarHBondContact O-N 3.16Å; S345-E349 WeakPolarHBondContact O-CB 3.46Å; S345-E349 PolarHBondContact O-N 3.34Å
346V98.7Very high97.7Very high0 Ų011.4 Ų11.40%06%0.064CC..Hα-helixtrans-66.3-41.3174.7173.70000111.3I263 M266 L283 I288 Y323 C342 L343 Y348 E349 M350I263-V346 HydrophobicContact CD1-CG1 4.28Å; M266-V346 HydrophobicContact CE-CG1 4.07Å; M266-V346 HydrophobicContact SD-CG1 4Å; L283-V346 HydrophobicContact CD2-CG2 4.28Å; L283-V346 HydrophobicContact CG-CG2 4.33Å; I288-V346 HydrophobicContact CD1-CG1 4.23Å; Y323-V346 HydrophobicContact CD1-CG2 4.22Å; Y323-V346 HydrophobicContact CE1-CG2 4.02Å; C342-V346 WeakPolarHBondContact O-CG2 3.49Å; C342-V346 PolarHBondContact O-N 3.24Å; L343-V346 PolarHBondContact O-N 2.62Å; V346-Y348 VanDerWaalsContact C-N 3.34Å; V346-Y348 PolarHBondContact O-N 2.97Å; V346-E349 PolarHBondContact O-N 2.86Å; V346-M350 HydrophobicContact CG1-CE 4.14Å; V346-M350 WeakPolarHBondContact O-CG 3.49Å; V346-M350 PolarHBondContact O-N 2.89Å
347L98.8Very high97.8Very high0 Ų010.8 Ų10.80%06%0.06CC..Hα-helixtrans-58.9-47.3173.5175.454.1000111.1A259 I263 L343 G344 E349 M350 L351 L387 L388 F414A259-L347 HydrophobicContact CB-CD1 4.02Å; I263-L347 HydrophobicContact CD1-CB 3.82Å; I263-L347 HydrophobicContact CG1-CB 3.81Å; I263-L347 HydrophobicContact CG1-CD1 3.82Å; I263-L347 HydrophobicContact CG1-CG 4.23Å; L343-L347 WeakPolarHBondContact O-CB 3.22Å; L343-L347 PolarHBondContact O-N 2.73Å; G344-L347 PolarHBondContact O-N 2.9Å; L347-E349 VanDerWaalsContact C-N 3.32Å; L347-E349 PolarHBondContact O-N 3.45Å; L347-M350 PolarHBondContact O-N 3.27Å; L347-L351 HydrophobicContact CD1-CD1 3.75Å; L347-L351 HydrophobicContact CD1-CG 4.03Å; L347-L351 HydrophobicContact CG-CD1 4.11Å; L347-L351 WeakPolarHBondContact O-CG 3.35Å; L347-L351 PolarHBondContact O-N 2.88Å; L347-L351 VanDerWaalsContact O-N 3.1Å; L347-L387 HydrophobicContact CD2-CD2 3.64Å; L347-L387 HydrophobicContact CD2-CG 4.13Å; L347-L388 HydrophobicContact CB-CD2 4.07Å; L347-L388 HydrophobicContact CD2-CD2 3.89Å; L347-L388 HydrophobicContact CD2-CG 4.05Å; L347-L388 HydrophobicContact CG-CD2 3.83Å; L347-L388 HydrophobicContact CG-CG 4.31Å; L347-F414 HydrophobicContact CD1-CZ 4.32Å
348Y98.7Very high97.6Very high7 Ų715.1 Ų15.13%0.0278%0.077CC..Hα-helixtrans-59.5-46178.6-170.6-77.6000110.9G344 S345 V346 M350 L351 F352 L354 P356 L374 R377 W385 L388 L392G344-Y348 WeakPolarHBondContact O-CB 3.42Å; G344-Y348 PolarHBondContact O-N 2.84Å; S345-Y348 PolarHBondContact O-N 3.16Å; V346-Y348 VanDerWaalsContact C-N 3.34Å; V346-Y348 PolarHBondContact O-N 2.97Å; Y348-M350 PolarHBondContact O-N 2.98Å; Y348-L351 PolarHBondContact O-N 3.48Å; Y348-F352 HydrophobicContact CD1-CB 4.16Å; Y348-F352 AromaticContact CD1-CD2 3.66Å; Y348-F352 HydrophobicContact CD1-CD2 3.66Å; Y348-F352 HydrophobicContact CD1-CG 4.38Å; Y348-F352 AromaticContact CD2-CD2 3.64Å; Y348-F352 HydrophobicContact CD2-CD2 3.64Å; Y348-F352 AromaticContact CD2-CE2 3.81Å; Y348-F352 HydrophobicContact CD2-CE2 3.81Å; Y348-F352 HydrophobicContact CE1-CB 3.77Å; Y348-F352 AromaticContact CE1-CD2 3.56Å; Y348-F352 HydrophobicContact CE1-CD2 3.56Å; Y348-F352 HydrophobicContact CE1-CG 4.02Å; Y348-F352 AromaticContact CE2-CD2 3.56Å; Y348-F352 HydrophobicContact CE2-CD2 3.56Å; Y348-F352 AromaticContact CE2-CE2 3.75Å; Y348-F352 HydrophobicContact CE2-CE2 3.75Å; Y348-F352 AromaticContact CG-CD2 3.69Å; Y348-F352 HydrophobicContact CG-CD2 3.69Å; Y348-F352 HydrophobicContact CG-CE2 4.25Å; Y348-F352 AromaticContact CZ-CD2 3.52Å; Y348-F352 WeakPolarHBondContact O-CB 3.44Å; Y348-F352 VanDerWaalsContact O-CD2 3.23Å; Y348-F352 WeakPolarHBondContact O-CD2 3.43Å; Y348-F352 PolarHBondContact O-N 2.86Å; Y348-L354 WeakPolarHBondContact CD1-O 3.32Å; Y348-L354 WeakPolarHBondContact CE1-O 3.41Å; Y348-P356 VanDerWaalsContact CD1-CA 3.47Å; Y348-P356 HydrophobicContact CD1-CB 3.83Å; Y348-P356 HydrophobicContact CD1-CG 4.5Å; Y348-P356 HydrophobicContact CD2-CB 3.85Å; Y348-P356 VanDerWaalsContact CE1-CA 3.47Å; Y348-P356 HydrophobicContact CE1-CB 4.11Å; Y348-P356 HydrophobicContact CE2-CB 4.1Å; Y348-P356 HydrophobicContact CG-CB 3.71Å; Y348-P356 HydrophobicContact CG-CG 4.3Å; Y348-L374 HydrophobicContact CD2-CD1 3.97Å; Y348-L374 HydrophobicContact CE2-CD1 3.7Å; Y348-R377 PolarHBondContact OH-NE 3.26Å; Y348-R377 VanDerWaalsContact OH-NE 3.11Å; Y348-W385 HydrophobicContact CE2-CH2 4.01Å; Y348-L388 HydrophobicContact CD2-CD1 4.16Å; Y348-L388 HydrophobicContact CD2-CD2 4.27Å; Y348-L392 HydrophobicContact CD2-CD1 4.42Å
349E98.3Very high97.2Very high6 Ų615.8 Ų15.83%0.0288%0.082CC..Hα-helixtrans-64.3-40.9179.6-166.8-176.4-179.900112.3L248 P285 Y323 S345 V346 L347 L351 F352 G353 P355L248-E349 HydrophobicContact CD2-CB 4.45Å; L248-E349 HydrophobicContact CD2-CG 3.8Å; P285-E349 VanDerWaalsContact CG-OE2 3.26Å; P285-E349 WeakPolarHBondContact CG-OE2 3.23Å; Y323-E349 WeakPolarHBondContact CE1-OE2 3.47Å; Y323-E349 PolarHBondContact OH-OE2 3.11Å; S345-E349 WeakPolarHBondContact O-CB 3.46Å; S345-E349 PolarHBondContact O-N 3.34Å; V346-E349 PolarHBondContact O-N 2.86Å; L347-E349 VanDerWaalsContact C-N 3.32Å; L347-E349 PolarHBondContact O-N 3.45Å; E349-L351 VanDerWaalsContact C-N 3.27Å; E349-L351 PolarHBondContact O-N 2.91Å; E349-F352 PolarHBondContact O-N 3.42Å; E349-G353 WeakPolarHBondContact O-CA 3.39Å; E349-G353 PolarHBondContact O-N 3.09Å; E349-P355 HydrophobicContact CG-CG 4.44Å
350M98.6Very high96.5Very high0 Ų023.5 Ų23.50%011%0.111CC..Hα-helixtrans-60-39.2174.1-73.9-168.5-67.700111.9L244 L248 T253 F254 A259 Y262 I263 M266 V346 L347 Y348L244-M350 HydrophobicContact CD2-SD 4.09Å; L248-M350 HydrophobicContact CD2-CG 4.29Å; T253-M350 CarbonylContact C-O 3.45Å; T253-M350 WeakPolarHBondContact CA-O 3.46Å; F254-M350 HydrophobicContact CD2-CB 4Å; F254-M350 HydrophobicContact CD2-CG 3.69Å; F254-M350 HydrophobicContact CD2-SD 3.69Å; F254-M350 HydrophobicContact CE2-CG 4.06Å; F254-M350 HydrophobicContact CE2-SD 4.04Å; F254-M350 PolarHBondContact N-O 2.66Å; A259-M350 HydrophobicContact CB-CB 4Å; A259-M350 HydrophobicContact CB-CE 4.04Å; A259-M350 HydrophobicContact CB-SD 4.37Å; Y262-M350 HydrophobicContact CD2-SD 4Å; I263-M350 HydrophobicContact CD1-CE 3.33Å; I263-M350 HydrophobicContact CG1-CE 3.43Å; I263-M350 VanDerWaalsContact CG1-CE 3.43Å; M266-M350 HydrophobicContact CE-CE 4.42Å; V346-M350 HydrophobicContact CG1-CE 4.14Å; V346-M350 WeakPolarHBondContact O-CG 3.49Å; V346-M350 PolarHBondContact O-N 2.89Å; L347-M350 PolarHBondContact O-N 3.27Å; Y348-M350 PolarHBondContact O-N 2.98Å
351L98.3Very high96.1Very high18 Ų1827.8 Ų27.89%0.09413%0.134CC..Hα-helixtrans-78.8-31.4-178.4-66.4175000113.6E256 A259 L347 Y348 E349 A380 A384 L388E256-L351 HydrophobicContact CB-CD2 4.05Å; E256-L351 HydrophobicContact CG-CD2 4.27Å; A259-L351 HydrophobicContact CB-CD2 3.96Å; A259-L351 HydrophobicContact CB-CG 4.42Å; L347-L351 HydrophobicContact CD1-CD1 3.75Å; L347-L351 HydrophobicContact CD1-CG 4.03Å; L347-L351 HydrophobicContact CG-CD1 4.11Å; L347-L351 WeakPolarHBondContact O-CG 3.35Å; L347-L351 PolarHBondContact O-N 2.88Å; L347-L351 VanDerWaalsContact O-N 3.1Å; Y348-L351 PolarHBondContact O-N 3.48Å; E349-L351 VanDerWaalsContact C-N 3.27Å; E349-L351 PolarHBondContact O-N 2.91Å; L351-A380 HydrophobicContact CD1-CB 4.09Å; L351-A384 HydrophobicContact CD1-CB 4.44Å; L351-L388 HydrophobicContact CD1-CD1 4.21Å
352F97.1Very high95.5Very high39 Ų3930.7 Ų30.717%0.17115%0.152CC..Hα-helixtrans-126.4-2.7-168-54.1-62.8000114.9Y348 E349 L354 R377 A380 W385 L388Y348-F352 HydrophobicContact CD1-CB 4.16Å; Y348-F352 AromaticContact CD1-CD2 3.66Å; Y348-F352 HydrophobicContact CD1-CD2 3.66Å; Y348-F352 HydrophobicContact CD1-CG 4.38Å; Y348-F352 AromaticContact CD2-CD2 3.64Å; Y348-F352 HydrophobicContact CD2-CD2 3.64Å; Y348-F352 AromaticContact CD2-CE2 3.81Å; Y348-F352 HydrophobicContact CD2-CE2 3.81Å; Y348-F352 HydrophobicContact CE1-CB 3.77Å; Y348-F352 AromaticContact CE1-CD2 3.56Å; Y348-F352 HydrophobicContact CE1-CD2 3.56Å; Y348-F352 HydrophobicContact CE1-CG 4.02Å; Y348-F352 AromaticContact CE2-CD2 3.56Å; Y348-F352 HydrophobicContact CE2-CD2 3.56Å; Y348-F352 AromaticContact CE2-CE2 3.75Å; Y348-F352 HydrophobicContact CE2-CE2 3.75Å; Y348-F352 AromaticContact CG-CD2 3.69Å; Y348-F352 HydrophobicContact CG-CD2 3.69Å; Y348-F352 HydrophobicContact CG-CE2 4.25Å; Y348-F352 AromaticContact CZ-CD2 3.52Å; Y348-F352 WeakPolarHBondContact O-CB 3.44Å; Y348-F352 VanDerWaalsContact O-CD2 3.23Å; Y348-F352 WeakPolarHBondContact O-CD2 3.43Å; Y348-F352 PolarHBondContact O-N 2.86Å; E349-F352 PolarHBondContact O-N 3.42Å; F352-L354 VanDerWaalsContact C-N 3.31Å; F352-L354 PolarHBondContact O-N 3Å; F352-R377 HydrophobicContact CD1-CB 4.43Å; F352-R377 HydrophobicContact CE1-CB 4Å; F352-R377 HydrophobicContact CZ-CB 4.4Å; F352-A380 HydrophobicContact CE1-CB 4.42Å; F352-A380 HydrophobicContact CZ-CB 3.84Å; F352-W385 HydrophobicContact CE1-CZ2 4.3Å; F352-W385 HydrophobicContact CE2-CH2 4.08Å; F352-W385 AromaticContact CE2-CZ2 3.84Å; F352-W385 HydrophobicContact CE2-CZ2 3.84Å; F352-W385 HydrophobicContact CZ-CH2 4.13Å; F352-W385 AromaticContact CZ-CZ2 3.42Å; F352-W385 HydrophobicContact CZ-CZ2 3.42Å; F352-W385 VanDerWaalsContact CZ-CZ2 3.42Å; F352-L388 HydrophobicContact CE2-CD1 4.01Å
353G94.8Very high95.1Very high17 Ų1737.2 Ų37.218%0.17518%0.181CC..SBendtrans82.3-4.6170.800000116.1R252 E349R252-G353 WeakPolarHBondContact O-CA 3.45Å; E349-G353 WeakPolarHBondContact O-CA 3.39Å; E349-G353 PolarHBondContact O-N 3.09Å
354L94.2Very high94.9Very high90 Ų9041.6 Ų41.647%0.47120%0.202SC..SBendtrans-144.7152.5174.1-71.2174.9000109.9Y348 F352 Y358Y348-L354 WeakPolarHBondContact CD1-O 3.32Å; Y348-L354 WeakPolarHBondContact CE1-O 3.41Å; F352-L354 VanDerWaalsContact C-N 3.31Å; F352-L354 PolarHBondContact O-N 3Å; L354-Y358 HydrophobicContact CD1-CD1 4.12Å; L354-Y358 HydrophobicContact CD2-CD1 4.3Å; L354-Y358 HydrophobicContact CD2-CE1 4.47Å
355P95.8Very high94.7Very high10 Ų1041.8 Ų41.87%0.06520%0.203CC..  trans-55.1152.2172.7-25.835000112.6E322 Y323 E349 F357 Y358E322-P355 HydrophobicContact CB-CB 4.28Å; E322-P355 HydrophobicContact CB-CG 3.97Å; E322-P355 HydrophobicContact CG-CG 4.41Å; Y323-P355 HydrophobicContact CE1-CG 4.4Å; E349-P355 HydrophobicContact CG-CG 4.44Å; P355-F357 VanDerWaalsContact C-N 3.26Å; P355-F357 PolarHBondContact O-N 3.01Å; P355-F357 VanDerWaalsContact O-N 3.12Å; P355-Y358 WeakPolarHBondContact O-CB 3.38Å; P355-Y358 PolarHBondContact O-N 3.23Å
356P96.6Very high94.6Very high14 Ų1444 Ų449%0.09121%0.212CC..THydrogen-bonded Turntrans-60-32.2-166.820.8-31.9000114.8Y348 L374 L392Y348-P356 VanDerWaalsContact CD1-CA 3.47Å; Y348-P356 HydrophobicContact CD1-CB 3.83Å; Y348-P356 HydrophobicContact CD1-CG 4.5Å; Y348-P356 HydrophobicContact CD2-CB 3.85Å; Y348-P356 VanDerWaalsContact CE1-CA 3.47Å; Y348-P356 HydrophobicContact CE1-CB 4.11Å; Y348-P356 HydrophobicContact CE2-CB 4.1Å; Y348-P356 HydrophobicContact CG-CB 3.71Å; Y348-P356 HydrophobicContact CG-CG 4.3Å; P356-L374 HydrophobicContact CB-CD1 3.95Å; P356-L392 HydrophobicContact CB-CD1 4.03Å; P356-L392 HydrophobicContact CG-CD1 3.93Å; P356-L392 HydrophobicContact CG-CD2 4.33Å
357F97.4Very high94.5Very high9 Ų947.9 Ų47.94%0.03923%0.232CC..THydrogen-bonded Turntrans-116.714.2-173.8-57.9-64.2000113.2W341 P355 S359 N368 I369 K372 L374W341-F357 HydrophobicContact CH2-CD2 4.29Å; W341-F357 AromaticContact CH2-CE2 3.6Å; W341-F357 HydrophobicContact CH2-CE2 3.6Å; W341-F357 HydrophobicContact CH2-CZ 4.43Å; W341-F357 HydrophobicContact CZ2-CD2 4.01Å; W341-F357 AromaticContact CZ2-CE2 3.73Å; W341-F357 HydrophobicContact CZ2-CE2 3.73Å; P355-F357 VanDerWaalsContact C-N 3.26Å; P355-F357 PolarHBondContact O-N 3.01Å; P355-F357 VanDerWaalsContact O-N 3.12Å; F357-S359 PolarHBondContact O-N 3.47Å; F357-N368 HydrophobicContact CB-CB 3.82Å; F357-N368 HydrophobicContact CD1-CB 4.26Å; F357-N368 WeakPolarHBondContact CD1-O 3.48Å; F357-N368 HydrophobicContact CG-CB 4.42Å; F357-I369 HydrophobicContact CB-CG1 3.65Å; F357-I369 HydrophobicContact CD2-CG1 4Å; F357-I369 HydrophobicContact CG-CG1 4.12Å; F357-K372 HydrophobicContact CD1-CB 4.27Å; F357-K372 HydrophobicContact CE1-CB 4.41Å; F357-K372 WeakPolarHBondContact CE1-O 3.2Å; F357-L374 HydrophobicContact CZ-CD1 4.3Å
358Y93.6Very high94.5Very high95 Ų9548.6 Ų48.637%0.37324%0.236SC..  trans-54130.9-173.8-178.1-98.5000112.9E322 L354 P355 R360 M365E322-Y358 HydrophobicContact CG-CD2 3.92Å; E322-Y358 HydrophobicContact CG-CE2 4.18Å; L354-Y358 HydrophobicContact CD1-CD1 4.12Å; L354-Y358 HydrophobicContact CD2-CD1 4.3Å; L354-Y358 HydrophobicContact CD2-CE1 4.47Å; P355-Y358 WeakPolarHBondContact O-CB 3.38Å; P355-Y358 PolarHBondContact O-N 3.23Å; Y358-R360 HydrophobicContact CE1-CG 4.49Å; Y358-M365 HydrophobicContact CD2-SD 4.19Å
359S90.3Very high94.5Very high19 Ų1948.3 Ų48.313%0.13324%0.235CC..  trans-136.9154.4162.9-179.50000109.7F357 D361 E364F357-S359 PolarHBondContact O-N 3.47Å; S359-D361 PolarHBondContact O-N 2.64Å; S359-D361 PolarHBondContact OG-N 3.38Å; S359-D361 VanDerWaalsContact OG-N 3.16Å; S359-E364 PolarHBondContact OG-OE2 3.05Å
360R83.3Confident94.4Very high161 Ų16149.6 Ų49.661%0.60824%0.242SC*.SBendtrans-69.9-23.9170.5-65.6-179.2-179.4172.80.2112.1Y31 Y358Y31-R360 PolarHBondContact OH-NH1 2.88Å; Y31-R360 PolarHBondContact OH-NH2 3.2Å; Y358-R360 HydrophobicContact CE1-CG 4.49Å
361D89.1Confident94.4Very high91 Ų9155.2 Ų55.249%0.48727%0.268SS..SBendtrans-91112.9170.2-171.6-23.5000108.5S359 H363 E364 M365S359-D361 PolarHBondContact O-N 2.64Å; S359-D361 PolarHBondContact OG-N 3.38Å; S359-D361 VanDerWaalsContact OG-N 3.16Å; D361-H363 PolarHBondContact O-N 2.8Å; D361-H363 WeakPolarHBondContact OD1-CB 3.08Å; D361-H363 PolarHBondContact OD1-N 3.12Å; D361-E364 HydrophobicContact CB-CB 3.91Å; D361-E364 PolarHBondContact O-N 3.41Å; D361-E364 VanDerWaalsContact O-N 3.14Å; D361-M365 PolarHBondContact O-N 3.28Å
362T88.1Confident94.3Very high61 Ų6159.3 Ų59.337%0.37429%0.285SS..Hα-helixtrans-56.7-34.5178.7-48.30000112.2M365 Y366T362-M365 HydrophobicContact CG2-CE 4.4Å; T362-M365 PolarHBondContact O-N 3Å; T362-Y366 HydrophobicContact CG2-CD1 4.26Å; T362-Y366 HydrophobicContact CG2-CD2 4.28Å; T362-Y366 HydrophobicContact CG2-CE1 3.72Å; T362-Y366 HydrophobicContact CG2-CE2 3.76Å; T362-Y366 VanDerWaalsContact CG2-CZ 3.44Å; T362-Y366 WeakPolarHBondContact O-CB 3.32Å; T362-Y366 WeakPolarHBondContact O-CD1 3.38Å; T362-Y366 PolarHBondContact O-N 3.08Å
363H89.1Confident94.3Very high144 Ų14462.3 Ų62.367%0.66731%0.308SS*.Hα-helixtrans-69.2-43178.1-175.4-77.5000111.2D361 M365 Y366 D367D361-H363 PolarHBondContact O-N 2.8Å; D361-H363 WeakPolarHBondContact OD1-CB 3.08Å; D361-H363 PolarHBondContact OD1-N 3.12Å; H363-M365 VanDerWaalsContact C-N 3.32Å; H363-Y366 PolarHBondContact O-N 3.14Å; H363-D367 WeakPolarHBondContact O-CB 3.35Å; H363-D367 PolarHBondContact O-N 2.87Å
364E94.8Very high94.4Very high93 Ų9363.2 Ų63.244%0.43531%0.309SS..Hα-helixtrans-64.7-38.6173.9-170.6-167.5174.300111.2S359 D361 D367 N368S359-E364 PolarHBondContact OG-OE2 3.05Å; D361-E364 HydrophobicContact CB-CB 3.91Å; D361-E364 PolarHBondContact O-N 3.41Å; D361-E364 VanDerWaalsContact O-N 3.14Å; E364-D367 PolarHBondContact O-N 3.24Å; E364-N368 WeakPolarHBondContact O-CB 3.33Å; E364-N368 PolarHBondContact O-N 2.85Å; E364-N368 PolarHBondContact O-ND2 3.2Å; E364-N368 VanDerWaalsContact O-ND2 3.17Å
365M95.6Very high94.3Very high4 Ų461.9 Ų61.92%0.0231%0.31CS..Hα-helixtrans-62-45.9175.9-175.4168.472.100111.3P321 E322 Y358 D361 T362 H363 N368 I369P321-M365 HydrophobicContact CB-CE 3.64Å; E322-M365 HydrophobicContact CB-SD 4.36Å; E322-M365 HydrophobicContact CG-CE 4.09Å; E322-M365 HydrophobicContact CG-SD 3.85Å; Y358-M365 HydrophobicContact CD2-SD 4.19Å; D361-M365 PolarHBondContact O-N 3.28Å; T362-M365 HydrophobicContact CG2-CE 4.4Å; T362-M365 PolarHBondContact O-N 3Å; H363-M365 VanDerWaalsContact C-N 3.32Å; M365-N368 WeakPolarHBondContact O-CB 3.28Å; M365-N368 PolarHBondContact O-N 2.92Å; M365-I369 HydrophobicContact CG-CD1 4.11Å; M365-I369 VanDerWaalsContact O-CG1 3.29Å; M365-I369 WeakPolarHBondContact O-CG1 3.22Å; M365-I369 PolarHBondContact O-N 2.63Å
366Y95.9Very high94.1Very high47 Ų4767.4 Ų67.418%0.18434%0.337CS..Hα-helixtrans-62.9-43.2175.8-67.9-8.1000111.8P321 L324 L329 T362 H363 N368 I369 L370P321-Y366 HydrophobicContact CB-CE1 3.99Å; L324-Y366 HydrophobicContact CD1-CE1 4.31Å; L329-Y366 HydrophobicContact CD1-CD1 3.98Å; L329-Y366 HydrophobicContact CD1-CG 4.15Å; L329-Y366 HydrophobicContact CD2-CD1 3.77Å; L329-Y366 HydrophobicContact CD2-CD2 4.13Å; L329-Y366 HydrophobicContact CD2-CE1 3.83Å; L329-Y366 HydrophobicContact CD2-CE2 4.18Å; L329-Y366 HydrophobicContact CD2-CG 3.93Å; T362-Y366 HydrophobicContact CG2-CD1 4.26Å; T362-Y366 HydrophobicContact CG2-CD2 4.28Å; T362-Y366 HydrophobicContact CG2-CE1 3.72Å; T362-Y366 HydrophobicContact CG2-CE2 3.76Å; T362-Y366 VanDerWaalsContact CG2-CZ 3.44Å; T362-Y366 WeakPolarHBondContact O-CB 3.32Å; T362-Y366 WeakPolarHBondContact O-CD1 3.38Å; T362-Y366 PolarHBondContact O-N 3.08Å; H363-Y366 PolarHBondContact O-N 3.14Å; Y366-N368 VanDerWaalsContact C-N 3.32Å; Y366-N368 PolarHBondContact O-N 3.08Å; Y366-I369 HydrophobicContact CD1-CD1 4.36Å; Y366-I369 PolarHBondContact O-N 3.45Å; Y366-L370 WeakPolarHBondContact O-CB 3.31Å; Y366-L370 VanDerWaalsContact O-CG 3.24Å; Y366-L370 WeakPolarHBondContact O-CG 3.46Å; Y366-L370 PolarHBondContact O-N 3.38Å
367D97.4Very high93.8Very high80 Ų8072.9 Ų72.943%0.42836%0.356SS..Hα-helixtrans-59.4-42.9174-170.773.7000111.6H363 E364 L370 H371H363-D367 WeakPolarHBondContact O-CB 3.35Å; H363-D367 PolarHBondContact O-N 2.87Å; E364-D367 PolarHBondContact O-N 3.24Å; D367-L370 PolarHBondContact O-N 3.17Å; D367-H371 WeakPolarHBondContact O-CB 3.5Å; D367-H371 PolarHBondContact O-CD2 3.4Å; D367-H371 PolarHBondContact O-N 3.39Å; D367-H371 IonicContact OD1-CD2 3.36Å; D367-H371 PolarHBondContact OD1-CD2 2.59Å
368N97.7Very high93.5Very high16 Ų1678.5 Ų78.59%0.08639%0.393CS..Hα-helixtrans-62.1-45.9175.3-71-33.9000112F357 E364 M365 Y366 L370 H371 K372 K394F357-N368 HydrophobicContact CB-CB 3.82Å; F357-N368 HydrophobicContact CD1-CB 4.26Å; F357-N368 WeakPolarHBondContact CD1-O 3.48Å; F357-N368 HydrophobicContact CG-CB 4.42Å; E364-N368 WeakPolarHBondContact O-CB 3.33Å; E364-N368 PolarHBondContact O-N 2.85Å; E364-N368 PolarHBondContact O-ND2 3.2Å; E364-N368 VanDerWaalsContact O-ND2 3.17Å; M365-N368 WeakPolarHBondContact O-CB 3.28Å; M365-N368 PolarHBondContact O-N 2.92Å; Y366-N368 VanDerWaalsContact C-N 3.32Å; Y366-N368 PolarHBondContact O-N 3.08Å; N368-L370 VanDerWaalsContact C-N 3.25Å; N368-L370 PolarHBondContact O-N 3.11Å; N368-H371 PolarHBondContact O-N 3.39Å; N368-K372 HydrophobicContact CB-CB 4.04Å; N368-K372 HydrophobicContact CB-CD 4.14Å; N368-K372 VanDerWaalsContact O-CB 3.28Å; N368-K372 WeakPolarHBondContact O-CB 3.43Å; N368-K372 PolarHBondContact O-N 2.99Å; N368-K372 VanDerWaalsContact OD1-CD 3.3Å; N368-K372 WeakPolarHBondContact OD1-CD 3.45Å; N368-K394 PolarHBondContact O-NZ 3.02Å
369I98.1Very high93.3Very high1 Ų177.6 Ų77.61%0.00541%0.413CS..Hα-helixtrans-58.8-40.6176.3-69.7165.6000110.2L324 P326 L329 W341 F357 M365 Y366 K394L324-I369 WeakPolarHBondContact O-CG2 3.1Å; P326-I369 HydrophobicContact CG-CG2 3.99Å; L329-I369 HydrophobicContact CD1-CB 3.74Å; L329-I369 HydrophobicContact CD1-CD1 3.99Å; L329-I369 HydrophobicContact CD1-CG1 4.48Å; L329-I369 HydrophobicContact CD1-CG2 3.49Å; L329-I369 VanDerWaalsContact CD1-CG2 3.49Å; W341-I369 HydrophobicContact CH2-CG2 4.44Å; W341-I369 HydrophobicContact CZ2-CG2 3.89Å; F357-I369 HydrophobicContact CB-CG1 3.65Å; F357-I369 HydrophobicContact CD2-CG1 4Å; F357-I369 HydrophobicContact CG-CG1 4.12Å; M365-I369 HydrophobicContact CG-CD1 4.11Å; M365-I369 VanDerWaalsContact O-CG1 3.29Å; M365-I369 WeakPolarHBondContact O-CG1 3.22Å; M365-I369 PolarHBondContact O-N 2.63Å; Y366-I369 HydrophobicContact CD1-CD1 4.36Å; Y366-I369 PolarHBondContact O-N 3.45Å; I369-K394 PolarHBondContact O-NZ 3.42Å
370L97.7Very high93.6Very high32 Ų3277.7 Ų77.717%0.16842%0.415CS..Hα-helixtrans-77.2-33.3-177.2-68.8172.1000113.9P326 L329 R330 Y366 D367 N368 K394P326-L370 HydrophobicContact CB-CD2 4.21Å; L329-L370 HydrophobicContact CB-CD2 3.97Å; L329-L370 HydrophobicContact CB-CG 4.44Å; L329-L370 HydrophobicContact CD1-CD2 4.46Å; L329-L370 HydrophobicContact CD1-CG 4.27Å; R330-L370 HydrophobicContact CG-CD2 3.71Å; R330-L370 PolarHBondContact NH2-O 3.17Å; Y366-L370 WeakPolarHBondContact O-CB 3.31Å; Y366-L370 VanDerWaalsContact O-CG 3.24Å; Y366-L370 WeakPolarHBondContact O-CG 3.46Å; Y366-L370 PolarHBondContact O-N 3.38Å; D367-L370 PolarHBondContact O-N 3.17Å; N368-L370 VanDerWaalsContact C-N 3.25Å; N368-L370 PolarHBondContact O-N 3.11Å; L370-K394 VanDerWaalsContact O-CD 3.31Å; L370-K394 WeakPolarHBondContact O-CD 3.32Å
371H97.4Very high94.3Very high119 Ų11971.7 Ų71.755%0.55140%0.398SS*.Hα-helixtrans-132.9-29.9-162.8-57.8-59.7000115.1D367 N368D367-H371 WeakPolarHBondContact O-CB 3.5Å; D367-H371 PolarHBondContact O-CD2 3.4Å; D367-H371 PolarHBondContact O-N 3.39Å; D367-H371 IonicContact OD1-CD2 3.36Å; D367-H371 PolarHBondContact OD1-CD2 2.59Å; N368-H371 PolarHBondContact O-N 3.39Å
372K97.4Very high94.7Very high103 Ų10372.8 Ų72.845%0.44841%0.408SS..  trans-72.5127.2-176-174.3171.5-179.4175.30110.7F357 N368 K394F357-K372 HydrophobicContact CD1-CB 4.27Å; F357-K372 HydrophobicContact CE1-CB 4.41Å; F357-K372 WeakPolarHBondContact CE1-O 3.2Å; N368-K372 HydrophobicContact CB-CB 4.04Å; N368-K372 HydrophobicContact CB-CD 4.14Å; N368-K372 VanDerWaalsContact O-CB 3.28Å; N368-K372 WeakPolarHBondContact O-CB 3.43Å; N368-K372 PolarHBondContact O-N 2.99Å; N368-K372 VanDerWaalsContact OD1-CD 3.3Å; N368-K372 WeakPolarHBondContact OD1-CD 3.45Å; K372-K394 WeakPolarHBondContact O-CE 3.39Å; K372-K394 PolarHBondContact O-NZ 2.73Å
373P96.4Very high95.1Very high102 Ų10271.9 Ų71.966%0.66240%0.402SS*.  trans-67.4148.6175.628-34.3000110.7A375P373-A375 PolarHBondContact O-N 3.37Å
374L96.4Very high95.6Very high37 Ų3765 Ų6519%0.19437%0.371CS..  trans-69.6112.7173.6-173.570.6000109.4Y348 P356 F357 W385 L388 Q389 L392Y348-L374 HydrophobicContact CD2-CD1 3.97Å; Y348-L374 HydrophobicContact CE2-CD1 3.7Å; P356-L374 HydrophobicContact CB-CD1 3.95Å; F357-L374 HydrophobicContact CZ-CD1 4.3Å; L374-W385 HydrophobicContact CD2-CE3 4.39Å; L374-W385 HydrophobicContact CD2-CZ3 3.86Å; L374-W385 HydrophobicContact CG-CZ3 3.94Å; L374-L388 HydrophobicContact CD2-CB 4.08Å; L374-Q389 HydrophobicContact CD2-CG 4.4Å; L374-L392 HydrophobicContact CD1-CD1 3.89Å; L374-L392 HydrophobicContact CD2-CB 4.34Å; L374-L392 HydrophobicContact CD2-CD1 3.98Å
375A91.4Very high95.8Very high61 Ų6160.9 Ų60.950%0.50435%0.351SS..  trans-89.4128.1-178.400000111.4P373 W385P373-A375 PolarHBondContact O-N 3.37Å; A375-W385 WeakPolarHBondContact O-CH2 3.28Å
376M92.8Very high95.9Very high126 Ų12663.4 Ų63.462%0.62137%0.369SS*.  trans-62.1135.9175.2-158.1180-142.100110.8W385M376-W385 HydrophobicContact CB-CD2 4.45Å; M376-W385 HydrophobicContact CE-CB 3.65Å; M376-W385 HydrophobicContact CE-CD2 4.18Å; M376-W385 HydrophobicContact CE-CG 3.46Å; M376-W385 VanDerWaalsContact CE-CG 3.46Å; M376-W385 HydrophobicContact CG-CD2 3.66Å; M376-W385 HydrophobicContact CG-CE3 4.2Å; M376-W385 HydrophobicContact CG-CG 3.94Å; M376-W385 HydrophobicContact CG-CZ2 4.16Å
377R91Very high96Very high129 Ų12961.1 Ų61.149%0.48736%0.36SS..  trans-127.1147.7178.1-61-170.5179.7-157.58.2110.2Y348 F352 W385Y348-R377 PolarHBondContact OH-NE 3.26Å; Y348-R377 VanDerWaalsContact OH-NE 3.11Å; F352-R377 HydrophobicContact CD1-CB 4.43Å; F352-R377 HydrophobicContact CE1-CB 4Å; F352-R377 HydrophobicContact CZ-CB 4.4Å; R377-W385 HydrophobicContact CB-CH2 4.43Å; R377-W385 HydrophobicContact CB-CZ2 3.87Å; R377-W385 HydrophobicContact CG-CZ2 4.43Å; R377-W385 WeakPolarHBondContact O-CZ2 3.46Å; R377-W385 PolarHBondContact O-NE1 3.5Å
378P90.4Very high96.1Very high127 Ų12757.3 Ų57.383%0.82534%0.34SS*.THydrogen-bonded Turntrans-64.7152.7172.829.5-35.2000110.7
379G89.3Confident96.1Very high77 Ų7761.9 Ų61.979%0.79436%0.36SS*.THydrogen-bonded Turntrans109.4-5174.200000115.7
380A95.8Very high96.2Very high20 Ų2062.8 Ų62.817%0.16537%0.37CS..SBendtrans-125.8148.7172.500000111L351 F352 A384L351-A380 HydrophobicContact CD1-CB 4.09Å; F352-A380 HydrophobicContact CE1-CB 4.42Å; F352-A380 HydrophobicContact CZ-CB 3.84Å; A380-A384 HydrophobicContact CB-CB 3.99Å
381S97.8Very high96.2Very high36 Ų3661.2 Ų61.225%0.25236%0.362SS..  trans-66.8164.5179.471.50000112.5E256 T383 A384 W385E256-S381 VanDerWaalsContact CD-OG 3.28Å; E256-S381 VanDerWaalsContact OE1-CB 3.32Å; E256-S381 WeakPolarHBondContact OE1-CB 3.3Å; E256-S381 PolarHBondContact OE1-OG 3.24Å; E256-S381 WeakPolarHBondContact OE2-CB 3.16Å; E256-S381 PolarHBondContact OE2-N 3Å; E256-S381 PolarHBondContact OE2-OG 2.96Å; S381-T383 PolarHBondContact O-N 2.79Å; S381-T383 PolarHBondContact OG-OG1 3.4Å; S381-T383 VanDerWaalsContact OG-OG1 3.07Å; S381-A384 PolarHBondContact O-N 3.28Å; S381-A384 WeakPolarHBondContact OG-CB 3.49Å; S381-A384 PolarHBondContact OG-N 2.94Å; S381-A384 VanDerWaalsContact OG-N 3.08Å; S381-W385 PolarHBondContact O-N 2.94Å
382T97.6Very high96.3Very high114 Ų11456 Ų5670%0.69934%0.338SS*.Hα-helixtrans-61.8-34.1174.749.50000112S386T382-S386 WeakPolarHBondContact O-CB 3.37Å; T382-S386 PolarHBondContact O-N 3.26Å
383T98.3Very high96.3Very high42 Ų4254.7 Ų54.726%0.25833%0.334SS..Hα-helixtrans-73.4-35.4176.655.60000112S381 S386 L387 H412 N413S381-T383 PolarHBondContact O-N 2.79Å; S381-T383 PolarHBondContact OG-OG1 3.4Å; S381-T383 VanDerWaalsContact OG-OG1 3.07Å; T383-S386 PolarHBondContact O-N 3.01Å; T383-L387 PolarHBondContact O-N 3.48Å; T383-H412 PolarHBondContact O-CE1 2.86Å; T383-N413 HydrophobicContact CG2-CB 4.01Å
384A98.4Very high96.4Very high0 Ų051.6 Ų51.60%031%0.309CS..Hα-helixtrans-62.5-44.7171.600000111.5E256 L351 A380 S381 L387 L388 F414E256-A384 HydrophobicContact CG-CB 4.48Å; L351-A384 HydrophobicContact CD1-CB 4.44Å; A380-A384 HydrophobicContact CB-CB 3.99Å; S381-A384 PolarHBondContact O-N 3.28Å; S381-A384 WeakPolarHBondContact OG-CB 3.49Å; S381-A384 PolarHBondContact OG-N 2.94Å; S381-A384 VanDerWaalsContact OG-N 3.08Å; A384-L387 PolarHBondContact O-N 3.26Å; A384-L388 WeakPolarHBondContact O-CG 3.49Å; A384-L388 PolarHBondContact O-N 3.06Å; A384-F414 HydrophobicContact CB-CD2 3.91Å; A384-F414 HydrophobicContact CB-CE2 3.6Å
385W98.3Very high96.5Very high5 Ų553.1 Ų53.12%0.01932%0.318CS..Hα-helixtrans-64.3-41.7176.1-87.1109.1000113.1Y348 F352 L374 A375 M376 R377 S381 L387 L388 Q389Y348-W385 HydrophobicContact CE2-CH2 4.01Å; F352-W385 HydrophobicContact CE1-CZ2 4.3Å; F352-W385 HydrophobicContact CE2-CH2 4.08Å; F352-W385 AromaticContact CE2-CZ2 3.84Å; F352-W385 HydrophobicContact CE2-CZ2 3.84Å; F352-W385 HydrophobicContact CZ-CH2 4.13Å; F352-W385 AromaticContact CZ-CZ2 3.42Å; F352-W385 HydrophobicContact CZ-CZ2 3.42Å; F352-W385 VanDerWaalsContact CZ-CZ2 3.42Å; L374-W385 HydrophobicContact CD2-CE3 4.39Å; L374-W385 HydrophobicContact CD2-CZ3 3.86Å; L374-W385 HydrophobicContact CG-CZ3 3.94Å; A375-W385 WeakPolarHBondContact O-CH2 3.28Å; M376-W385 HydrophobicContact CB-CD2 4.45Å; M376-W385 HydrophobicContact CE-CB 3.65Å; M376-W385 HydrophobicContact CE-CD2 4.18Å; M376-W385 HydrophobicContact CE-CG 3.46Å; M376-W385 VanDerWaalsContact CE-CG 3.46Å; M376-W385 HydrophobicContact CG-CD2 3.66Å; M376-W385 HydrophobicContact CG-CE3 4.2Å; M376-W385 HydrophobicContact CG-CG 3.94Å; M376-W385 HydrophobicContact CG-CZ2 4.16Å; R377-W385 HydrophobicContact CB-CH2 4.43Å; R377-W385 HydrophobicContact CB-CZ2 3.87Å; R377-W385 HydrophobicContact CG-CZ2 4.43Å; R377-W385 WeakPolarHBondContact O-CZ2 3.46Å; R377-W385 PolarHBondContact O-NE1 3.5Å; S381-W385 PolarHBondContact O-N 2.94Å; W385-L387 VanDerWaalsContact C-N 3.29Å; W385-L387 PolarHBondContact O-N 3.29Å; W385-L388 HydrophobicContact CD2-CD1 4.49Å; W385-L388 HydrophobicContact CE3-CB 4.46Å; W385-L388 HydrophobicContact CE3-CD1 4.22Å; W385-L388 HydrophobicContact CZ3-CD1 4.29Å; W385-L388 PolarHBondContact O-N 3.28Å; W385-Q389 WeakPolarHBondContact O-CB 3.46Å; W385-Q389 WeakPolarHBondContact O-CG 3.42Å; W385-Q389 PolarHBondContact O-N 3.29Å
386S98.5Very high96.7Very high57 Ų5753 Ų5340%0.39930%0.304SS..Hα-helixtrans-57.1-43.8173.4-1790000111.4T382 T383 Q389 G390 H412T382-S386 WeakPolarHBondContact O-CB 3.37Å; T382-S386 PolarHBondContact O-N 3.26Å; T383-S386 PolarHBondContact O-N 3.01Å; S386-Q389 PolarHBondContact O-N 3.47Å; S386-G390 PolarHBondContact O-N 2.77Å; S386-G390 VanDerWaalsContact O-N 3.1Å; S386-H412 PolarHBondContact OG-NE2 2.88Å; S386-H412 VanDerWaalsContact OG-NE2 3.08Å
387L98.8Very high96.8Very high0 Ų051 Ų510%030%0.3CS..Hα-helixtrans-65.2-47.1177.7-177.362.3000111.3L347 T383 A384 W385 Q389 G390 L391 L400 H412 F414 F415L347-L387 HydrophobicContact CD2-CD2 3.64Å; L347-L387 HydrophobicContact CD2-CG 4.13Å; T383-L387 PolarHBondContact O-N 3.48Å; A384-L387 PolarHBondContact O-N 3.26Å; W385-L387 VanDerWaalsContact C-N 3.29Å; W385-L387 PolarHBondContact O-N 3.29Å; L387-Q389 VanDerWaalsContact C-N 3.32Å; L387-Q389 PolarHBondContact O-N 3.45Å; L387-G390 PolarHBondContact O-N 3.07Å; L387-L391 HydrophobicContact CD1-CD1 3.82Å; L387-L391 HydrophobicContact CD1-CG 3.99Å; L387-L391 HydrophobicContact CD2-CD1 4.3Å; L387-L391 HydrophobicContact CG-CD1 3.73Å; L387-L391 HydrophobicContact CG-CG 4.26Å; L387-L391 WeakPolarHBondContact O-CB 3.46Å; L387-L391 WeakPolarHBondContact O-CG 3.41Å; L387-L391 PolarHBondContact O-N 3.06Å; L387-L400 HydrophobicContact CD1-CD2 3.53Å; L387-H412 HydrophobicContact CD1-CB 4.34Å; L387-H412 PolarHBondContact N-CE1 3.22Å; L387-H412 VanDerWaalsContact N-CE1 3.3Å; L387-F414 HydrophobicContact CB-CB 4.16Å; L387-F414 HydrophobicContact CB-CG 4.4Å; L387-F414 HydrophobicContact CD2-CB 3.97Å; L387-F414 HydrophobicContact CD2-CD1 3.26Å; L387-F414 HydrophobicContact CD2-CE1 3.81Å; L387-F414 HydrophobicContact CD2-CG 3.75Å; L387-F415 HydrophobicContact CD1-CE2 4.06Å; L387-F415 HydrophobicContact CD2-CE2 3.65Å; L387-F415 HydrophobicContact CD2-CZ 3.59Å
388L98.8Very high97.2Very high0 Ų051.4 Ų51.40%031%0.307CS..Hα-helixtrans-59.4-41.6177.9-77.1171.2000112.3G344 L347 Y348 L351 F352 L374 A384 W385 L392G344-L388 WeakPolarHBondContact O-CD2 3.25Å; L347-L388 HydrophobicContact CB-CD2 4.07Å; L347-L388 HydrophobicContact CD2-CD2 3.89Å; L347-L388 HydrophobicContact CD2-CG 4.05Å; L347-L388 HydrophobicContact CG-CD2 3.83Å; L347-L388 HydrophobicContact CG-CG 4.31Å; Y348-L388 HydrophobicContact CD2-CD1 4.16Å; Y348-L388 HydrophobicContact CD2-CD2 4.27Å; L351-L388 HydrophobicContact CD1-CD1 4.21Å; F352-L388 HydrophobicContact CE2-CD1 4.01Å; L374-L388 HydrophobicContact CD2-CB 4.08Å; A384-L388 WeakPolarHBondContact O-CG 3.49Å; A384-L388 PolarHBondContact O-N 3.06Å; W385-L388 HydrophobicContact CD2-CD1 4.49Å; W385-L388 HydrophobicContact CE3-CB 4.46Å; W385-L388 HydrophobicContact CE3-CD1 4.22Å; W385-L388 HydrophobicContact CZ3-CD1 4.29Å; W385-L388 PolarHBondContact O-N 3.28Å; L388-L392 HydrophobicContact CD2-CD1 4.14Å; L388-L392 WeakPolarHBondContact O-CB 3.44Å; L388-L392 WeakPolarHBondContact O-CG 3.04Å; L388-L392 PolarHBondContact O-N 2.75Å
389Q98.5Very high97.5Very high111 Ų11145.4 Ų45.452%0.51927%0.267SS..Hα-helixtrans-63.7-42176.5-75.6176.2-36.700111.8L374 W385 S386 L387 E393L374-Q389 HydrophobicContact CD2-CG 4.4Å; W385-Q389 WeakPolarHBondContact O-CB 3.46Å; W385-Q389 WeakPolarHBondContact O-CG 3.42Å; W385-Q389 PolarHBondContact O-N 3.29Å; S386-Q389 PolarHBondContact O-N 3.47Å; L387-Q389 VanDerWaalsContact C-N 3.32Å; L387-Q389 PolarHBondContact O-N 3.45Å; Q389-E393 PolarHBondContact O-N 3.04Å
390G98.6Very high98Very high20 Ų2043.1 Ų43.121%0.20624%0.237CC..Hα-helixtrans-66.5-45.8176.800000113.3S386 L387 R399 L400S386-G390 PolarHBondContact O-N 2.77Å; S386-G390 VanDerWaalsContact O-N 3.1Å; L387-G390 PolarHBondContact O-N 3.07Å; G390-R399 WeakPolarHBondContact O-CG 3.3Å; G390-L400 PolarHBondContact O-N 3.08Å
391L98.8Very high98.1Very high0 Ų042.2 Ų42.20%023%0.23CC..Hα-helixtrans-73-35.5-178.5-68175.4000113W340 L343 L387 E393 R399 L400 I409W340-L391 HydrophobicContact CB-CD2 3.95Å; L343-L391 HydrophobicContact CD2-CD1 4.21Å; L343-L391 HydrophobicContact CG-CD1 4.42Å; L387-L391 HydrophobicContact CD1-CD1 3.82Å; L387-L391 HydrophobicContact CD1-CG 3.99Å; L387-L391 HydrophobicContact CD2-CD1 4.3Å; L387-L391 HydrophobicContact CG-CD1 3.73Å; L387-L391 HydrophobicContact CG-CG 4.26Å; L387-L391 WeakPolarHBondContact O-CB 3.46Å; L387-L391 WeakPolarHBondContact O-CG 3.41Å; L387-L391 PolarHBondContact O-N 3.06Å; L391-E393 VanDerWaalsContact C-N 3.31Å; L391-R399 VanDerWaalsContact O-CD 3.23Å; L391-R399 WeakPolarHBondContact O-CD 3.41Å; L391-R399 WeakPolarHBondContact O-CG 3.34Å; L391-L400 HydrophobicContact CD2-CB 4.43Å; L391-L400 HydrophobicContact CD2-CD2 4.28Å; L391-L400 HydrophobicContact CG-CD2 4.43Å; L391-I409 HydrophobicContact CD2-CD1 3.77Å
392L98.8Very high98Very high8 Ų842.4 Ų42.44%0.04223%0.231CC..THydrogen-bonded Turntrans-96.724.7-179.9-59.2173.4000112.7W341 Y348 P356 L374 L388 K394W341-L392 HydrophobicContact CD2-CD2 4.01Å; W341-L392 HydrophobicContact CE3-CD2 4.12Å; W341-L392 HydrophobicContact CH2-CD2 4.44Å; W341-L392 HydrophobicContact CZ2-CD2 4.31Å; W341-L392 HydrophobicContact CZ3-CB 4.22Å; W341-L392 HydrophobicContact CZ3-CD2 4.34Å; W341-L392 WeakPolarHBondContact CZ3-O 3.37Å; Y348-L392 HydrophobicContact CD2-CD1 4.42Å; P356-L392 HydrophobicContact CB-CD1 4.03Å; P356-L392 HydrophobicContact CG-CD1 3.93Å; P356-L392 HydrophobicContact CG-CD2 4.33Å; L374-L392 HydrophobicContact CD1-CD1 3.89Å; L374-L392 HydrophobicContact CD2-CB 4.34Å; L374-L392 HydrophobicContact CD2-CD1 3.98Å; L388-L392 HydrophobicContact CD2-CD1 4.14Å; L388-L392 WeakPolarHBondContact O-CB 3.44Å; L388-L392 WeakPolarHBondContact O-CG 3.04Å; L388-L392 PolarHBondContact O-N 2.75Å; L392-K394 PolarHBondContact O-N 3.38Å
393E98.5Very high97.8Very high77 Ų7747.1 Ų47.136%0.3624%0.236SC..  trans-66.3128.6167.5-178.347-104.700109.3Q389 L391 D395 H398 R399Q389-E393 PolarHBondContact O-N 3.04Å; L391-E393 VanDerWaalsContact C-N 3.31Å; E393-D395 PolarHBondContact OE1-N 3.39Å; E393-H398 HydrophobicContact CG-CB 3.8Å; E393-R399 HydrophobicContact CB-CB 4.16Å; E393-R399 HydrophobicContact CB-CG 4.35Å; E393-R399 PolarHBondContact O-NE 3.27Å; E393-R399 PolarHBondContact O-NH2 3.45Å; E393-R399 VanDerWaalsContact O-NH2 3.1Å
394K98.2Very high97.7Very high36 Ų3649 Ų4916%0.15725%0.245CC..SBendtrans-77.1-28.3-171.8-62.2-170.4-170.4-66.40112.1P326 W341 N368 I369 L370 K372 L392P326-K394 HydrophobicContact CG-CB 4.12Å; P326-K394 HydrophobicContact CG-CG 4.26Å; W341-K394 HydrophobicContact CH2-CG 4.44Å; W341-K394 HydrophobicContact CZ3-CG 4.36Å; N368-K394 PolarHBondContact O-NZ 3.02Å; I369-K394 PolarHBondContact O-NZ 3.42Å; L370-K394 VanDerWaalsContact O-CD 3.31Å; L370-K394 WeakPolarHBondContact O-CD 3.32Å; K372-K394 WeakPolarHBondContact O-CE 3.39Å; K372-K394 PolarHBondContact O-NZ 2.73Å; L392-K394 PolarHBondContact O-N 3.38Å
395D97.5Very high97.6Very high69 Ų6950 Ų5037%0.36925%0.25SS..SBendtrans-85.2110.3169.4-175.8-14.8000109.8E393 T397 H398 R399E393-D395 PolarHBondContact OE1-N 3.39Å; D395-T397 VanDerWaalsContact CG-OG1 3.27Å; D395-T397 PolarHBondContact O-N 3.13Å; D395-T397 WeakPolarHBondContact OD1-CB 3.46Å; D395-T397 PolarHBondContact OD1-N 2.91Å; D395-T397 PolarHBondContact OD1-OG1 3.36Å; D395-T397 PolarHBondContact OD2-OG1 2.89Å; D395-H398 HydrophobicContact CB-CB 4.42Å; D395-H398 VanDerWaalsContact CG-ND1 3.34Å; D395-H398 PolarHBondContact O-N 3.06Å; D395-H398 IonicContact OD2-CE1 3.78Å; D395-H398 PolarHBondContact OD2-CE1 3.2Å; D395-H398 IonicContact OD2-ND1 3.84Å; D395-H398 PolarHBondContact OD2-ND1 3.35Å; D395-R399 PolarHBondContact O-N 3.48Å; D395-R399 VanDerWaalsContact O-N 3.14Å
396R95.9Very high97.6Very high58 Ų5851 Ų5122%0.21926%0.255CS..THydrogen-bonded Turntrans-55.6-27.4-179.169.7169.4176.2154.8-9114P333 D335 H398 R399 S402P333-R396 PolarHBondContact O-NH1 3.34Å; P333-R396 PolarHBondContact O-NH2 3.2Å; D335-R396 VanDerWaalsContact CG-NH1 3.34Å; D335-R396 IonicContact OD1-NH1 3.2Å; D335-R396 IonicContact OD2-CZ 3.56Å; D335-R396 IonicContact OD2-NH1 2.62Å; D335-R396 PolarHBondContact OD2-NH1 2.93Å; R396-H398 VanDerWaalsContact C-N 3.31Å; R396-R399 WeakPolarHBondContact O-CB 3.43Å; R396-R399 PolarHBondContact O-N 3.24Å; R396-S402 WeakPolarHBondContact O-CB 3.35Å
397T95.9Very high97.6Very high86 Ų8652 Ų5253%0.52826%0.255SS..THydrogen-bonded Turntrans-75.1-24.8-179.165.90000112.5D395 S402D395-T397 VanDerWaalsContact CG-OG1 3.27Å; D395-T397 PolarHBondContact O-N 3.13Å; D395-T397 WeakPolarHBondContact OD1-CB 3.46Å; D395-T397 PolarHBondContact OD1-N 2.91Å; D395-T397 PolarHBondContact OD1-OG1 3.36Å; D395-T397 PolarHBondContact OD2-OG1 2.89Å; T397-S402 PolarHBondContact O-OG 3.49Å
398H97.9Very high97.5Very high136 Ų13653.6 Ų53.663%0.6326%0.263SS*.THydrogen-bonded Turntrans-98.1-5.2176-63.5114.9000113E393 D395 R396E393-H398 HydrophobicContact CG-CB 3.8Å; D395-H398 HydrophobicContact CB-CB 4.42Å; D395-H398 VanDerWaalsContact CG-ND1 3.34Å; D395-H398 PolarHBondContact O-N 3.06Å; D395-H398 IonicContact OD2-CE1 3.78Å; D395-H398 PolarHBondContact OD2-CE1 3.2Å; D395-H398 IonicContact OD2-ND1 3.84Å; D395-H398 PolarHBondContact OD2-ND1 3.35Å; R396-H398 VanDerWaalsContact C-N 3.31Å
399R98.4Very high97.5Very high1 Ų153.6 Ų53.60%0.00426%0.263CS..SBendtrans-67.9140.2-179.7-167.1178.8-62.6140.85.4111.3E327 T337 G390 L391 E393 D395 R396 G401 S402E327-R399 IonicContact OE1-CZ 2.83Å; E327-R399 IonicContact OE1-NH1 2.7Å; E327-R399 PolarHBondContact OE1-NH1 3.43Å; E327-R399 IonicContact OE1-NH2 2.85Å; E327-R399 PolarHBondContact OE1-NH2 2.96Å; E327-R399 IonicContact OE2-CZ 3.6Å; E327-R399 IonicContact OE2-NH1 3.36Å; E327-R399 IonicContact OE2-NH2 2.69Å; E327-R399 PolarHBondContact OE2-NH2 3.05Å; T337-R399 PolarHBondContact O-NH1 2.86Å; G390-R399 WeakPolarHBondContact O-CG 3.3Å; L391-R399 VanDerWaalsContact O-CD 3.23Å; L391-R399 WeakPolarHBondContact O-CD 3.41Å; L391-R399 WeakPolarHBondContact O-CG 3.34Å; E393-R399 HydrophobicContact CB-CB 4.16Å; E393-R399 HydrophobicContact CB-CG 4.35Å; E393-R399 PolarHBondContact O-NE 3.27Å; E393-R399 PolarHBondContact O-NH2 3.45Å; E393-R399 VanDerWaalsContact O-NH2 3.1Å; D395-R399 PolarHBondContact O-N 3.48Å; D395-R399 VanDerWaalsContact O-N 3.14Å; R396-R399 WeakPolarHBondContact O-CB 3.43Å; R396-R399 PolarHBondContact O-N 3.24Å; R399-G401 PolarHBondContact O-N 3.43Å; R399-S402 WeakPolarHBondContact O-CB 3.47Å; R399-S402 PolarHBondContact O-N 2.79Å; R399-S402 PolarHBondContact O-OG 3.21Å
400L98.6Very high97.4Very high29 Ų2952.2 Ų52.215%0.15226%0.255CS..THydrogen-bonded Turntrans-58126.9173.2-173.374.5000109.5L387 G390 L391 E408 I409L387-L400 HydrophobicContact CD1-CD2 3.53Å; G390-L400 PolarHBondContact O-N 3.08Å; L391-L400 HydrophobicContact CD2-CB 4.43Å; L391-L400 HydrophobicContact CD2-CD2 4.28Å; L391-L400 HydrophobicContact CG-CD2 4.43Å; L400-E408 HydrophobicContact CD1-CB 3.99Å; L400-E408 HydrophobicContact CG-CB 4.4Å; L400-I409 HydrophobicContact CB-CD1 4.42Å; L400-I409 HydrophobicContact CD2-CD1 3.8Å; L400-I409 HydrophobicContact CG-CD1 3.71Å
401G97.3Very high97.4Very high1 Ų156.4 Ų56.41%0.0128%0.277CS..THydrogen-bonded Turntrans945.6-172.200000114.4R399 D405 E408R399-G401 PolarHBondContact O-N 3.43Å; G401-D405 WeakPolarHBondContact CA-O 3.5Å; G401-D405 VanDerWaalsContact O-CA 3.24Å; G401-D405 WeakPolarHBondContact O-CA 3.43Å; G401-D405 PolarHBondContact O-N 2.91Å; G401-E408 PolarHBondContact N-OE2 3.3Å
402S96.3Very high97.4Very high41 Ų4157.7 Ų57.729%0.28728%0.283SS..THydrogen-bonded Turntrans-80.1-24.3176.871.90000114.3R396 T397 R399R396-S402 WeakPolarHBondContact O-CB 3.35Å; T397-S402 PolarHBondContact O-OG 3.49Å; R399-S402 WeakPolarHBondContact O-CB 3.47Å; R399-S402 PolarHBondContact O-N 2.79Å; R399-S402 PolarHBondContact O-OG 3.21Å
403R94.3Very high97.4Very high212 Ų21262.5 Ų62.580%0.831%0.308SS*.THydrogen-bonded Turntrans-101.3-46.1-173.4-41.716957.5-154.1-4.6112.4E408R403-E408 WeakPolarHBondContact CA-OE1 3.31Å; R403-E408 WeakPolarHBondContact CB-OE1 3.37Å; R403-E408 WeakPolarHBondContact CG-OE1 3.35Å; R403-E408 PolarHBondContact N-OE1 2.93Å
404D95.6Very high97.4Very high83 Ų8358.8 Ų58.844%0.44429%0.291SS..THydrogen-bonded Turntrans-131.929.5-179.3-165.317.5000111.9F406 N407 E408D404-F406 PolarHBondContact O-N 2.84Å; D404-N407 HydrophobicContact CB-CB 4.32Å; D404-N407 WeakPolarHBondContact O-CB 3.16Å; D404-N407 PolarHBondContact O-N 3.38Å; D404-N407 PolarHBondContact OD1-ND2 3.5Å; D404-N407 VanDerWaalsContact OD2-CB 3.25Å; D404-N407 WeakPolarHBondContact OD2-CB 3.43Å; D404-N407 PolarHBondContact OD2-ND2 2.99Å; D404-E408 HydrophobicContact CB-CG 4.18Å; D404-E408 PolarHBondContact N-OE1 3.18Å
405D96.9Very high97.4Very high21 Ų2157.2 Ų57.211%0.11228%0.284CS..Hα-helixtrans46.8-125170.2-170.355.6000113H274 N336 W340 G401 N407 E408H274-D405 WeakPolarHBondContact CB-OD2 3.4Å; H274-D405 IonicContact CE1-OD1 3.97Å; H274-D405 IonicContact CG-OD1 2.68Å; H274-D405 IonicContact CG-OD2 3.68Å; H274-D405 IonicContact ND1-OD1 2.8Å; H274-D405 PolarHBondContact ND1-OD1 2.9Å; H274-D405 IonicContact ND1-OD2 3.94Å; H274-D405 PolarHBondContact ND1-OD2 3.24Å; N336-D405 PolarHBondContact ND2-OD1 2.74Å; W340-D405 VanDerWaalsContact CE2-OD1 3.32Å; W340-D405 VanDerWaalsContact CZ2-OD1 3.31Å; W340-D405 WeakPolarHBondContact CZ2-OD1 2.9Å; W340-D405 PolarHBondContact NE1-OD1 3.16Å; G401-D405 WeakPolarHBondContact CA-O 3.5Å; G401-D405 VanDerWaalsContact O-CA 3.24Å; G401-D405 WeakPolarHBondContact O-CA 3.43Å; G401-D405 PolarHBondContact O-N 2.91Å; D405-N407 PolarHBondContact O-N 3.3Å; D405-E408 PolarHBondContact O-N 2.86Å
406F97.7Very high97.4Very high25 Ų2561 Ų6111%0.1130%0.304CS..Hα-helixtrans-60.5-27.4-178178.9-128.6000113.8A267 W340 D404 E408 I409 K410 W420A267-F406 VanDerWaalsContact C-CE2 3.41Å; A267-F406 HydrophobicContact CB-CD2 4.26Å; A267-F406 HydrophobicContact CB-CE2 3.84Å; A267-F406 VanDerWaalsContact O-CD2 3.28Å; A267-F406 WeakPolarHBondContact O-CD2 3.24Å; A267-F406 WeakPolarHBondContact O-CE2 3.43Å; W340-F406 HydrophobicContact CH2-CB 4.14Å; W340-F406 AromaticContact CH2-CD2 4Å; W340-F406 HydrophobicContact CH2-CD2 4Å; W340-F406 HydrophobicContact CZ2-CB 4.09Å; D404-F406 PolarHBondContact O-N 2.84Å; F406-E408 VanDerWaalsContact C-N 3.3Å; F406-E408 PolarHBondContact O-N 3.49Å; F406-I409 HydrophobicContact CD2-CB 4.28Å; F406-I409 PolarHBondContact O-N 3.47Å; F406-I409 VanDerWaalsContact O-N 3.14Å; F406-K410 HydrophobicContact CE1-CD 4.36Å; F406-K410 HydrophobicContact CZ-CB 4.49Å; F406-K410 VanDerWaalsContact O-CB 3.3Å; F406-K410 WeakPolarHBondContact O-CB 3.45Å; F406-K410 PolarHBondContact O-N 3.43Å; F406-W420 HydrophobicContact CE2-CE3 4.22Å; F406-W420 AromaticContact CE2-CH2 3.94Å; F406-W420 HydrophobicContact CE2-CH2 3.94Å; F406-W420 AromaticContact CE2-CZ3 3.61Å; F406-W420 HydrophobicContact CE2-CZ3 3.61Å; F406-W420 HydrophobicContact CZ-CD2 4.38Å; F406-W420 AromaticContact CZ-CE3 3.62Å; F406-W420 HydrophobicContact CZ-CE3 3.62Å; F406-W420 HydrophobicContact CZ-CH2 4.17Å; F406-W420 AromaticContact CZ-CZ3 3.48Å; F406-W420 HydrophobicContact CZ-CZ3 3.48Å; F406-W420 VanDerWaalsContact CZ-CZ3 3.48Å
407N98Very high97.4Very high77 Ų7762.6 Ų62.641%0.41232%0.324SS..Hα-helixtrans-65.7-34.1-179.4-66.8-42.4000112.1D404 D405 K410 T411D404-N407 HydrophobicContact CB-CB 4.32Å; D404-N407 WeakPolarHBondContact O-CB 3.16Å; D404-N407 PolarHBondContact O-N 3.38Å; D404-N407 PolarHBondContact OD1-ND2 3.5Å; D404-N407 VanDerWaalsContact OD2-CB 3.25Å; D404-N407 WeakPolarHBondContact OD2-CB 3.43Å; D404-N407 PolarHBondContact OD2-ND2 2.99Å; D405-N407 PolarHBondContact O-N 3.3Å; N407-K410 PolarHBondContact O-N 3.25Å; N407-T411 WeakPolarHBondContact O-CG2 3.42Å; N407-T411 PolarHBondContact O-N 2.83Å; N407-T411 PolarHBondContact O-OG1 3.47Å
408E98.1Very high97.5Very high34 Ų3459.6 Ų59.616%0.15930%0.304CS..Hα-helixtrans-64.8-42.1172.6-72.7-175.7-138.900111.6L400 G401 R403 D404 D405 F406 T411 H412L400-E408 HydrophobicContact CD1-CB 3.99Å; L400-E408 HydrophobicContact CG-CB 4.4Å; G401-E408 PolarHBondContact N-OE2 3.3Å; R403-E408 WeakPolarHBondContact CA-OE1 3.31Å; R403-E408 WeakPolarHBondContact CB-OE1 3.37Å; R403-E408 WeakPolarHBondContact CG-OE1 3.35Å; R403-E408 PolarHBondContact N-OE1 2.93Å; D404-E408 HydrophobicContact CB-CG 4.18Å; D404-E408 PolarHBondContact N-OE1 3.18Å; D405-E408 PolarHBondContact O-N 2.86Å; F406-E408 VanDerWaalsContact C-N 3.3Å; F406-E408 PolarHBondContact O-N 3.49Å; E408-T411 PolarHBondContact O-OG1 3.36Å; E408-H412 PolarHBondContact O-N 2.98Å
409I98.3Very high97.5Very high0 Ų056.9 Ų56.90%029%0.294CS..Hα-helixtrans-64.2-47.7178.5-46.9-47.2000109.4A267 W340 L343 L391 L400 F406 T411 H412 F415A267-I409 HydrophobicContact CB-CG2 3.96Å; W340-I409 HydrophobicContact CD2-CD1 4.19Å; W340-I409 HydrophobicContact CD2-CG1 4.03Å; W340-I409 HydrophobicContact CE3-CD1 4.26Å; W340-I409 HydrophobicContact CE3-CG1 3.87Å; W340-I409 HydrophobicContact CH2-CG1 4Å; W340-I409 HydrophobicContact CZ2-CG1 4.13Å; W340-I409 HydrophobicContact CZ3-CG1 3.86Å; L343-I409 HydrophobicContact CD2-CG2 4.44Å; L391-I409 HydrophobicContact CD2-CD1 3.77Å; L400-I409 HydrophobicContact CB-CD1 4.42Å; L400-I409 HydrophobicContact CD2-CD1 3.8Å; L400-I409 HydrophobicContact CG-CD1 3.71Å; F406-I409 HydrophobicContact CD2-CB 4.28Å; F406-I409 PolarHBondContact O-N 3.47Å; F406-I409 VanDerWaalsContact O-N 3.14Å; I409-T411 VanDerWaalsContact C-N 3.25Å; I409-T411 PolarHBondContact O-N 3.33Å; I409-H412 WeakPolarHBondContact O-CB 3.3Å; I409-H412 PolarHBondContact O-N 2.96Å; I409-F415 HydrophobicContact CG2-CE2 3.73Å; I409-F415 HydrophobicContact CG2-CZ 4.26Å; I409-F415 WeakPolarHBondContact O-CD2 3.36Å; I409-F415 WeakPolarHBondContact O-CE2 3.42Å
410K96.9Very high97.5Very high82 Ų8257.6 Ų57.636%0.35730%0.297SS..Hα-helixtrans-57.3-35.7-176.8-170178-179.3160.60113.6F406 N407 W420F406-K410 HydrophobicContact CE1-CD 4.36Å; F406-K410 HydrophobicContact CZ-CB 4.49Å; F406-K410 VanDerWaalsContact O-CB 3.3Å; F406-K410 WeakPolarHBondContact O-CB 3.45Å; F406-K410 PolarHBondContact O-N 3.43Å; N407-K410 PolarHBondContact O-N 3.25Å; K410-W420 HydrophobicContact CB-CZ2 4.25Å; K410-W420 HydrophobicContact CD-CD2 4.4Å; K410-W420 HydrophobicContact CD-CG 4.1Å; K410-W420 VanDerWaalsContact CE-CD1 3.45Å; K410-W420 VanDerWaalsContact CE-CG 3.42Å; K410-W420 VanDerWaalsContact CG-CD1 3.46Å; K410-W420 HydrophobicContact CG-CD2 3.75Å; K410-W420 VanDerWaalsContact CG-CE2 3.47Å; K410-W420 HydrophobicContact CG-CG 3.75Å; K410-W420 HydrophobicContact CG-CZ2 4.09Å; K410-W420 VanDerWaalsContact CG-NE1 3.26Å; K410-W420 PolarHBondContact O-NE1 3.36Å; K410-W420 VanDerWaalsContact O-NE1 3.16Å
411T97.5Very high97.5Very high109 Ų10962.5 Ų62.567%0.66932%0.317SS*.Hα-helixtrans-92.6-6.4-17554.80000113.7N407 E408 I409N407-T411 WeakPolarHBondContact O-CG2 3.42Å; N407-T411 PolarHBondContact O-N 2.83Å; N407-T411 PolarHBondContact O-OG1 3.47Å; E408-T411 PolarHBondContact O-OG1 3.36Å; I409-T411 VanDerWaalsContact C-N 3.25Å; I409-T411 PolarHBondContact O-N 3.33Å
412H98.6Very high97.6Very high27 Ų2764.9 Ų64.913%0.12533%0.33CS..SBendtrans-65.2138.6-180-171.7-89.2000112T383 S386 L387 E408 I409 F414 F415T383-H412 PolarHBondContact O-CE1 2.86Å; S386-H412 PolarHBondContact OG-NE2 2.88Å; S386-H412 VanDerWaalsContact OG-NE2 3.08Å; L387-H412 HydrophobicContact CD1-CB 4.34Å; L387-H412 PolarHBondContact N-CE1 3.22Å; L387-H412 VanDerWaalsContact N-CE1 3.3Å; E408-H412 PolarHBondContact O-N 2.98Å; I409-H412 WeakPolarHBondContact O-CB 3.3Å; I409-H412 PolarHBondContact O-N 2.96Å; H412-F414 WeakPolarHBondContact ND1-CB 3.45Å; H412-F414 PolarHBondContact ND1-N 3.4Å; H412-F414 PolarHBondContact O-N 2.96Å; H412-F415 HydrophobicContact CB-CD2 4.3Å; H412-F415 PolarHBondContact O-N 2.87Å
413N98.4Very high97.6Very high108 Ų10863 Ų6358%0.57832%0.316SS*.G310 helixtrans-55.8-22.4-175.1-74.8-18.3000114.9T383 F415 L416T383-N413 HydrophobicContact CG2-CB 4.01Å; N413-F415 PolarHBondContact O-N 3.2Å; N413-L416 WeakPolarHBondContact O-CB 3.3Å; N413-L416 PolarHBondContact O-N 3.37Å
414F98.8Very high97.8Very high0 Ų056.5 Ų56.50%030%0.295CS..G310 helixtrans-59.4-34.6173.8-176.3-109000112.4E256 K260 L347 A384 L387 H412E256-F414 HydrophobicContact CG-CE2 3.84Å; E256-F414 HydrophobicContact CG-CZ 4.21Å; K260-F414 HydrophobicContact CB-CE1 3.7Å; K260-F414 HydrophobicContact CB-CE2 4.44Å; K260-F414 HydrophobicContact CB-CZ 3.59Å; K260-F414 HydrophobicContact CD-CE1 4.46Å; K260-F414 VanDerWaalsContact CD-O 3.32Å; K260-F414 WeakPolarHBondContact CD-O 3.35Å; K260-F414 WeakPolarHBondContact CE-O 3.46Å; K260-F414 HydrophobicContact CG-CD1 4.12Å; K260-F414 HydrophobicContact CG-CE1 3.64Å; K260-F414 HydrophobicContact CG-CZ 3.93Å; K260-F414 PolarHBondContact NZ-O 2.9Å; L347-F414 HydrophobicContact CD1-CZ 4.32Å; A384-F414 HydrophobicContact CB-CD2 3.91Å; A384-F414 HydrophobicContact CB-CE2 3.6Å; L387-F414 HydrophobicContact CB-CB 4.16Å; L387-F414 HydrophobicContact CB-CG 4.4Å; L387-F414 HydrophobicContact CD2-CB 3.97Å; L387-F414 HydrophobicContact CD2-CD1 3.26Å; L387-F414 HydrophobicContact CD2-CE1 3.81Å; L387-F414 HydrophobicContact CD2-CG 3.75Å; H412-F414 WeakPolarHBondContact ND1-CB 3.45Å; H412-F414 PolarHBondContact ND1-N 3.4Å; H412-F414 PolarHBondContact O-N 2.96Å
415F98.6Very high97.9Very high2 Ų256.8 Ų56.81%0.00929%0.294CS..G310 helixtrans-98.512-178.3-54.5-74.1000113.9K260 I263 A264 L387 I409 H412 N413 S417 I418 W420K260-F415 HydrophobicContact CG-CD1 4.28Å; I263-F415 HydrophobicContact CB-CE1 4.44Å; I263-F415 HydrophobicContact CG2-CE1 3.92Å; I263-F415 HydrophobicContact CG2-CZ 3.62Å; A264-F415 HydrophobicContact CB-CD1 3.99Å; A264-F415 HydrophobicContact CB-CE1 3.99Å; L387-F415 HydrophobicContact CD1-CE2 4.06Å; L387-F415 HydrophobicContact CD2-CE2 3.65Å; L387-F415 HydrophobicContact CD2-CZ 3.59Å; I409-F415 HydrophobicContact CG2-CE2 3.73Å; I409-F415 HydrophobicContact CG2-CZ 4.26Å; I409-F415 WeakPolarHBondContact O-CD2 3.36Å; I409-F415 WeakPolarHBondContact O-CE2 3.42Å; H412-F415 HydrophobicContact CB-CD2 4.3Å; H412-F415 PolarHBondContact O-N 2.87Å; N413-F415 PolarHBondContact O-N 3.2Å; F415-S417 PolarHBondContact O-N 3.3Å; F415-I418 HydrophobicContact CB-CB 4.43Å; F415-I418 HydrophobicContact CB-CG1 4.38Å; F415-I418 HydrophobicContact CD1-CG1 4.38Å; F415-I418 WeakPolarHBondContact O-CB 3.45Å; F415-I418 PolarHBondContact O-N 2.93Å; F415-W420 HydrophobicContact CB-CZ2 3.67Å; F415-W420 HydrophobicContact CD1-CH2 4.21Å; F415-W420 HydrophobicContact CD1-CZ2 4.04Å; F415-W420 HydrophobicContact CD2-CH2 4.5Å; F415-W420 HydrophobicContact CD2-CZ2 4.06Å; F415-W420 HydrophobicContact CE1-CH2 4.5Å; F415-W420 HydrophobicContact CG-CH2 4.21Å; F415-W420 AromaticContact CG-CZ2 3.66Å; F415-W420 HydrophobicContact CG-CZ2 3.66Å
416L97.1Very high97.9Very high149 Ų14959 Ų5978%0.7830%0.302SS*.THydrogen-bonded Turntrans-54.4-28.9-177.5-171.867.6000113.4N413N413-L416 WeakPolarHBondContact O-CB 3.3Å; N413-L416 PolarHBondContact O-N 3.37Å
417S96.6Very high97.9Very high91 Ų9163.9 Ų63.964%0.63632%0.324SS*.THydrogen-bonded Turntrans-85.9-1.7178.562.90000114.7F415F415-S417 PolarHBondContact O-N 3.3Å
418I98.3Very high97.9Very high23 Ų2361.9 Ų61.912%0.11831%0.313CS..  trans-99.9119.2-176-59.1-61.5000109.6K260 A264 F415 W420 L423 I428K260-I418 HydrophobicContact CD-CG1 4.47Å; K260-I418 HydrophobicContact CG-CG1 4.47Å; A264-I418 HydrophobicContact CB-CG1 4.41Å; A264-I418 HydrophobicContact CB-CG2 4.25Å; F415-I418 HydrophobicContact CB-CB 4.43Å; F415-I418 HydrophobicContact CB-CG1 4.38Å; F415-I418 HydrophobicContact CD1-CG1 4.38Å; F415-I418 WeakPolarHBondContact O-CB 3.45Å; F415-I418 PolarHBondContact O-N 2.93Å; I418-W420 HydrophobicContact CG2-CD2 4.24Å; I418-W420 HydrophobicContact CG2-CG 4.47Å; I418-W420 PolarHBondContact O-N 3.42Å; I418-L423 HydrophobicContact CG2-CB 4.33Å; I418-L423 HydrophobicContact CG2-CD1 4.48Å; I418-L423 HydrophobicContact CG2-CD2 4.13Å; I418-I428 HydrophobicContact CG2-CD1 4.34Å
419N98.4Very high97.8Very high79 Ų7965.3 Ų65.342%0.42234%0.338SS..  trans-83104.9162.7-177.9-18000108.7K421 D422 L423N419-K421 VanDerWaalsContact C-N 3.26Å; N419-K421 PolarHBondContact O-N 2.95Å; N419-K421 WeakPolarHBondContact OD1-CB 3.29Å; N419-K421 PolarHBondContact OD1-N 2.7Å; N419-D422 HydrophobicContact CB-CB 4.02Å; N419-D422 VanDerWaalsContact CG-OD2 3.25Å; N419-D422 VanDerWaalsContact ND2-CG 3.34Å; N419-D422 PolarHBondContact ND2-OD2 3.48Å; N419-D422 PolarHBondContact O-N 3.25Å; N419-D422 VanDerWaalsContact O-N 3.15Å; N419-D422 PolarHBondContact OD1-N 3.39Å; N419-L423 PolarHBondContact O-N 3.15Å
420W98.2Very high97.8Very high17 Ų1766.6 Ų66.66%0.06435%0.346CS..Hα-helixtrans-61.2-31.3-176.6-65.692.2000114.3A264 A267 F406 K410 F415 I418 L423 E424A264-W420 HydrophobicContact CB-CH2 4.03Å; A264-W420 HydrophobicContact CB-CZ3 4.09Å; A264-W420 VanDerWaalsContact O-CZ3 3.31Å; A264-W420 WeakPolarHBondContact O-CZ3 3.26Å; A267-W420 HydrophobicContact CB-CH2 4.37Å; F406-W420 HydrophobicContact CE2-CE3 4.22Å; F406-W420 AromaticContact CE2-CH2 3.94Å; F406-W420 HydrophobicContact CE2-CH2 3.94Å; F406-W420 AromaticContact CE2-CZ3 3.61Å; F406-W420 HydrophobicContact CE2-CZ3 3.61Å; F406-W420 HydrophobicContact CZ-CD2 4.38Å; F406-W420 AromaticContact CZ-CE3 3.62Å; F406-W420 HydrophobicContact CZ-CE3 3.62Å; F406-W420 HydrophobicContact CZ-CH2 4.17Å; F406-W420 AromaticContact CZ-CZ3 3.48Å; F406-W420 HydrophobicContact CZ-CZ3 3.48Å; F406-W420 VanDerWaalsContact CZ-CZ3 3.48Å; K410-W420 HydrophobicContact CB-CZ2 4.25Å; K410-W420 HydrophobicContact CD-CD2 4.4Å; K410-W420 HydrophobicContact CD-CG 4.1Å; K410-W420 VanDerWaalsContact CE-CD1 3.45Å; K410-W420 VanDerWaalsContact CE-CG 3.42Å; K410-W420 VanDerWaalsContact CG-CD1 3.46Å; K410-W420 HydrophobicContact CG-CD2 3.75Å; K410-W420 VanDerWaalsContact CG-CE2 3.47Å; K410-W420 HydrophobicContact CG-CG 3.75Å; K410-W420 HydrophobicContact CG-CZ2 4.09Å; K410-W420 VanDerWaalsContact CG-NE1 3.26Å; K410-W420 PolarHBondContact O-NE1 3.36Å; K410-W420 VanDerWaalsContact O-NE1 3.16Å; F415-W420 HydrophobicContact CB-CZ2 3.67Å; F415-W420 HydrophobicContact CD1-CH2 4.21Å; F415-W420 HydrophobicContact CD1-CZ2 4.04Å; F415-W420 HydrophobicContact CD2-CH2 4.5Å; F415-W420 HydrophobicContact CD2-CZ2 4.06Å; F415-W420 HydrophobicContact CE1-CH2 4.5Å; F415-W420 HydrophobicContact CG-CH2 4.21Å; F415-W420 AromaticContact CG-CZ2 3.66Å; F415-W420 HydrophobicContact CG-CZ2 3.66Å; I418-W420 HydrophobicContact CG2-CD2 4.24Å; I418-W420 HydrophobicContact CG2-CG 4.47Å; I418-W420 PolarHBondContact O-N 3.42Å; W420-L423 HydrophobicContact CE3-CD2 3.96Å; W420-L423 HydrophobicContact CZ3-CD2 4.16Å; W420-L423 WeakPolarHBondContact O-CB 3.48Å; W420-L423 PolarHBondContact O-N 3.37Å; W420-E424 PolarHBondContact O-N 3.23Å
421K97.7Very high97.7Very high131 Ų13165.8 Ų65.857%0.5735%0.349SS*.Hα-helixtrans-68.2-47174.9-179.2179.6176.3178.70110.7N419 L423 E424 E425N419-K421 VanDerWaalsContact C-N 3.26Å; N419-K421 PolarHBondContact O-N 2.95Å; N419-K421 WeakPolarHBondContact OD1-CB 3.29Å; N419-K421 PolarHBondContact OD1-N 2.7Å; K421-L423 PolarHBondContact O-N 3.11Å; K421-E424 PolarHBondContact O-N 2.9Å; K421-E425 WeakPolarHBondContact CE-OE1 3.24Å; K421-E425 IonicContact NZ-OE1 3.43Å; K421-E425 WeakPolarHBondContact O-CB 3.18Å; K421-E425 WeakPolarHBondContact O-CG 3.28Å; K421-E425 PolarHBondContact O-N 3.42Å
422D98.5Very high97.6Very high51 Ų5162.5 Ų62.527%0.27333%0.326SS..Hα-helixtrans-66.2-30.9177.8-66.7-23.8000111.4N419 K426 K427 I428N419-D422 HydrophobicContact CB-CB 4.02Å; N419-D422 VanDerWaalsContact CG-OD2 3.25Å; N419-D422 VanDerWaalsContact ND2-CG 3.34Å; N419-D422 PolarHBondContact ND2-OD2 3.48Å; N419-D422 PolarHBondContact O-N 3.25Å; N419-D422 VanDerWaalsContact O-N 3.15Å; N419-D422 PolarHBondContact OD1-N 3.39Å; D422-K426 PolarHBondContact O-N 2.88Å; D422-K427 HydrophobicContact CB-CB 4.02Å; D422-K427 WeakPolarHBondContact O-CB 3.35Å; D422-K427 PolarHBondContact O-N 3.22Å; D422-I428 HydrophobicContact CB-CD1 4.33Å; D422-I428 HydrophobicContact CB-CG1 3.93Å
423L98.4Very high97.3Very high1 Ų165.4 Ų65.41%0.00535%0.345CS..Hα-helixtrans-62.2-55.9173.1-169.877.1000110.7F218 F261 A264 E265 I418 N419 W420 K421 E425 K426 I428F218-L423 HydrophobicContact CE2-CG 4.29Å; F218-L423 HydrophobicContact CZ-CG 4.28Å; F218-L423 WeakPolarHBondContact CZ-O 3.2Å; F261-L423 HydrophobicContact CD2-CD1 4.26Å; F261-L423 HydrophobicContact CE2-CD1 3.97Å; A264-L423 HydrophobicContact CB-CD2 3.61Å; E265-L423 HydrophobicContact CG-CD1 3.84Å; E265-L423 HydrophobicContact CG-CD2 4.26Å; E265-L423 HydrophobicContact CG-CG 4.11Å; I418-L423 HydrophobicContact CG2-CB 4.33Å; I418-L423 HydrophobicContact CG2-CD1 4.48Å; I418-L423 HydrophobicContact CG2-CD2 4.13Å; N419-L423 PolarHBondContact O-N 3.15Å; W420-L423 HydrophobicContact CE3-CD2 3.96Å; W420-L423 HydrophobicContact CZ3-CD2 4.16Å; W420-L423 WeakPolarHBondContact O-CB 3.48Å; W420-L423 PolarHBondContact O-N 3.37Å; K421-L423 PolarHBondContact O-N 3.11Å; L423-E425 VanDerWaalsContact C-N 3.28Å; L423-E425 PolarHBondContact O-N 3.27Å; L423-K426 WeakPolarHBondContact O-CA 3.49Å; L423-K426 PolarHBondContact O-N 2.95Å; L423-I428 HydrophobicContact CB-CD1 3.94Å; L423-I428 HydrophobicContact CD1-CD1 4Å
424E96.8Very high96.9Very high76 Ų7660.5 Ų60.536%0.35532%0.32SS..Hα-helixtrans-62.6-33.3179.6-73.8170.9-158.300112.5P217 S268 W420 K421 K426P217-E424 WeakPolarHBondContact CG-O 3.48Å; S268-E424 VanDerWaalsContact OG-CG 3.28Å; S268-E424 WeakPolarHBondContact OG-CG 3.44Å; S268-E424 PolarHBondContact OG-OE1 3.34Å; S268-E424 VanDerWaalsContact OG-OE1 3.09Å; W420-E424 PolarHBondContact O-N 3.23Å; K421-E424 PolarHBondContact O-N 2.9Å; E424-K426 PolarHBondContact O-N 3.3Å
425E97.3Very high96.4Very high89 Ų8967.1 Ų67.142%0.41636%0.355SS..THydrogen-bonded Turntrans-79.17.2173.9-67.1176.1176.400113.2K421 L423 K427K421-E425 WeakPolarHBondContact CE-OE1 3.24Å; K421-E425 IonicContact NZ-OE1 3.43Å; K421-E425 WeakPolarHBondContact O-CB 3.18Å; K421-E425 WeakPolarHBondContact O-CG 3.28Å; K421-E425 PolarHBondContact O-N 3.42Å; L423-E425 VanDerWaalsContact C-N 3.28Å; L423-E425 PolarHBondContact O-N 3.27Å; E425-K427 HydrophobicContact CB-CD 4.06Å; E425-K427 HydrophobicContact CB-CG 4.07Å; E425-K427 PolarHBondContact O-N 3.1Å; E425-K427 WeakPolarHBondContact OE2-CE 3.33Å; E425-K427 IonicContact OE2-NZ 2.71Å; E425-K427 PolarHBondContact OE2-NZ 3.42Å
426K97.7Very high95.9Very high67 Ų6768.6 Ų68.629%0.29136%0.364SS..THydrogen-bonded Turntrans51.332.8-176.5-66.7-170.2172.7-170.30113.9P217 F218 D291 D422 L423 E424P217-K426 HydrophobicContact CB-CG 4.4Å; P217-K426 WeakPolarHBondContact O-CE 3.46Å; F218-K426 HydrophobicContact CE1-CG 4.08Å; D291-K426 IonicContact OD2-NZ 2.85Å; D291-K426 PolarHBondContact OD2-NZ 3.23Å; D422-K426 PolarHBondContact O-N 2.88Å; L423-K426 WeakPolarHBondContact O-CA 3.49Å; L423-K426 PolarHBondContact O-N 2.95Å; E424-K426 PolarHBondContact O-N 3.3Å
427K97.8Very high95.2Very high128 Ų12866 Ų6656%0.55736%0.359SS*.  trans-86.2-18.3178.1-69.1175.2173.9171.80113.4D422 E425D422-K427 HydrophobicContact CB-CB 4.02Å; D422-K427 WeakPolarHBondContact O-CB 3.35Å; D422-K427 PolarHBondContact O-N 3.22Å; E425-K427 HydrophobicContact CB-CD 4.06Å; E425-K427 HydrophobicContact CB-CG 4.07Å; E425-K427 PolarHBondContact O-N 3.1Å; E425-K427 WeakPolarHBondContact OE2-CE 3.33Å; E425-K427 IonicContact OE2-NZ 2.71Å; E425-K427 PolarHBondContact OE2-NZ 3.42Å
428I97.7Very high94.6Very high36 Ų3664.6 Ų64.619%0.18535%0.348CS..SBendtrans-82.9119.7174.7-56.1-179.9000108F261 I418 D422 L423F261-I428 HydrophobicContact CD2-CG2 4.02Å; F261-I428 HydrophobicContact CE2-CB 4.04Å; F261-I428 HydrophobicContact CE2-CG2 3.68Å; I418-I428 HydrophobicContact CG2-CD1 4.34Å; D422-I428 HydrophobicContact CB-CD1 4.33Å; D422-I428 HydrophobicContact CB-CG1 3.93Å; L423-I428 HydrophobicContact CB-CD1 3.94Å; L423-I428 HydrophobicContact CD1-CD1 4Å
429P96.7Very high93.8Very high105 Ų10567.2 Ų67.268%0.68237%0.368SS*.PPolyproline II helixtrans-66132.5-177.325.9-33.5000111.1
430P97.2Very high93.1Very high28 Ų2865.3 Ų65.318%0.18236%0.361CS..PPolyproline II helixtrans-58.9140.8175.6-28.437.1000112.6F261 E293 H295 F432F261-P430 HydrophobicContact CE1-CB 4.09Å; F261-P430 HydrophobicContact CE1-CG 4.33Å; F261-P430 HydrophobicContact CZ-CB 4.18Å; F261-P430 HydrophobicContact CZ-CG 4.08Å; E293-P430 WeakPolarHBondContact O-CG 3.29Å; H295-P430 WeakPolarHBondContact NE2-CG 3.49Å; P430-F432 PolarHBondContact O-N 3.47Å
431P95.5Very high92.5Very high65 Ų6565.6 Ų65.642%0.42236%0.364SS..SBendtrans-73.3-10.5178.929.9-35.5000113.2R258 F261R258-P431 HydrophobicContact CB-CB 4.22Å; R258-P431 HydrophobicContact CB-CG 4Å; R258-P431 HydrophobicContact CG-CB 4.47Å; R258-P431 HydrophobicContact CG-CG 3.9Å; F261-P431 HydrophobicContact CB-CG 3.96Å; F261-P431 HydrophobicContact CD1-CG 3.97Å; F261-P431 HydrophobicContact CG-CG 4.02Å
432F95.2Very high92Very high39 Ų3961 Ų6117%0.17135%0.345CS..  trans-147.9131.1178166.1-95.8000109H247 R258 L290 G294 P430 P434H247-F432 AromaticContact CE1-CE1 3.68Å; H247-F432 AromaticContact CE1-CZ 3.68Å; H247-F432 AromaticContact ND1-CE1 3.68Å; H247-F432 AromaticContact ND1-CZ 3.5Å; R258-F432 VanDerWaalsContact CZ-CG 3.46Å; L290-F432 HydrophobicContact CD1-CD1 3.86Å; L290-F432 HydrophobicContact CD1-CE1 3.8Å; G294-F432 WeakPolarHBondContact CA-O 3.33Å; P430-F432 PolarHBondContact O-N 3.47Å; F432-P434 HydrophobicContact CD1-CG 4.29Å; F432-P434 HydrophobicContact CE1-CB 4.13Å; F432-P434 HydrophobicContact CE1-CG 3.77Å
433T93.7Very high91.4Very high88 Ų8862 Ų6254%0.5436%0.36SS..  trans-109.7121.8173-54.20000108.6H292 E293H292-T433 WeakPolarHBondContact O-CG2 3.46Å; E293-T433 PolarHBondContact O-OG1 2.9Å
434P89.9Confident90.7Very high6 Ų662.8 Ų62.84%0.03937%0.365CS..  trans-59.4147.3175.7-22.632.9000111.8L290 D291 F432 V436L290-P434 HydrophobicContact CB-CG 3.9Å; L290-P434 HydrophobicContact CD1-CG 4.19Å; D291-P434 WeakPolarHBondContact O-CG 3.46Å; F432-P434 HydrophobicContact CD1-CG 4.29Å; F432-P434 HydrophobicContact CE1-CB 4.13Å; F432-P434 HydrophobicContact CE1-CG 3.77Å; P434-V436 HydrophobicContact CB-CG2 4.1Å; P434-V436 PolarHBondContact O-N 2.91Å; P434-V436 VanDerWaalsContact O-N 3.08Å
435N87.8Confident90Very high138 Ų13860.7 Ų60.774%0.73836%0.355SS*.  trans-76.7101173.2-171.917.9000108.9N444N435-N444 PolarHBondContact O-ND2 3.3Å
436V88.1Confident89.2Confident33 Ų3360.5 Ų60.520%0.236%0.356CS..  trans-128.3116.5-178.8170.60000107.7N240 H292 P434 C438 D441N240-V436 WeakPolarHBondContact ND2-CG1 3.2Å; H292-V436 HydrophobicContact CB-CB 4.44Å; H292-V436 HydrophobicContact CB-CG1 4.18Å; P434-V436 HydrophobicContact CB-CG2 4.1Å; P434-V436 PolarHBondContact O-N 2.91Å; P434-V436 VanDerWaalsContact O-N 3.08Å; V436-C438 VanDerWaalsContact CG1-O 3.3Å; V436-C438 WeakPolarHBondContact CG1-O 3.38Å; V436-D441 HydrophobicContact CG1-CB 4.06Å
437S82.6Confident88.4Confident95 Ų9560.8 Ų60.866%0.66437%0.365SS*.  trans-80.2-31.4-176.2610000113.5D441S437-D441 WeakPolarHBondContact CB-OD2 3.23Å; S437-D441 PolarHBondContact N-OD2 2.68Å; S437-D441 VanDerWaalsContact OG-CG 3.29Å; S437-D441 PolarHBondContact OG-OD2 2.68Å
438C83.9Confident87.6Confident61 Ų6160.2 Ų60.241%0.41236%0.364SS..SBendtrans-159.4173.1179.662.70000112.2N240 V436 S440 D441N240-C438 PolarHBondContact ND2-O 2.92Å; V436-C438 VanDerWaalsContact CG1-O 3.3Å; V436-C438 WeakPolarHBondContact CG1-O 3.38Å; C438-S440 PolarHBondContact O-N 3.3Å; C438-S440 VanDerWaalsContact O-N 3.15Å; C438-D441 VanDerWaalsContact O-CB 3.23Å; C438-D441 WeakPolarHBondContact O-CB 3.5Å; C438-D441 PolarHBondContact O-N 2.87Å
439S81.1Confident87Confident78 Ų7860.7 Ų60.755%0.54537%0.365SS..THydrogen-bonded Turntrans-65.8-15.8-176.554.20000115F238F238-S439 WeakPolarHBondContact CD1-O 3.48Å; F238-S439 VanDerWaalsContact CE1-O 3.3Å; F238-S439 WeakPolarHBondContact CE1-O 3.16Å
440S82.8Confident86.5Confident39 Ų3956.7 Ų56.727%0.27334%0.339SS..THydrogen-bonded Turntrans-106.99.1175.161.30000113.1C438 I442C438-S440 PolarHBondContact O-N 3.3Å; C438-S440 VanDerWaalsContact O-N 3.15Å; S440-I442 PolarHBondContact O-N 3.24Å
441D87.1Confident85.9Confident23 Ų2362.8 Ų62.812%0.12337%0.365CS..  trans-63.5136.9-177.1-163.1-11.9000110.8N240 V436 S437 C438 A443N240-D441 WeakPolarHBondContact CB-O 3.27Å; V436-D441 HydrophobicContact CG1-CB 4.06Å; S437-D441 WeakPolarHBondContact CB-OD2 3.23Å; S437-D441 PolarHBondContact N-OD2 2.68Å; S437-D441 VanDerWaalsContact OG-CG 3.29Å; S437-D441 PolarHBondContact OG-OD2 2.68Å; C438-D441 VanDerWaalsContact O-CB 3.23Å; C438-D441 WeakPolarHBondContact O-CB 3.5Å; C438-D441 PolarHBondContact O-N 2.87Å; D441-A443 VanDerWaalsContact OD1-CB 3.26Å; D441-A443 WeakPolarHBondContact OD1-CB 3.41Å; D441-A443 PolarHBondContact OD1-N 2.93Å
442I86.6Confident85.5Confident34 Ų3463.1 Ų63.117%0.17436%0.361CS..  trans-124.612.818063.6-176.4000112.3K162 I164 L174 F238 S440 N444 F445 T450K162-I442 HydrophobicContact CB-CD1 4.3Å; K162-I442 HydrophobicContact CD-CD1 4.36Å; K162-I442 HydrophobicContact CG-CD1 3.8Å; I164-I442 HydrophobicContact CG2-CG2 4.23Å; L174-I442 HydrophobicContact CD2-CG2 3.78Å; F238-I442 HydrophobicContact CZ-CG2 4.22Å; S440-I442 PolarHBondContact O-N 3.24Å; I442-N444 PolarHBondContact O-N 2.86Å; I442-N444 VanDerWaalsContact O-N 3.09Å; I442-F445 HydrophobicContact CB-CD2 3.82Å; I442-F445 HydrophobicContact CB-CE2 4.43Å; I442-F445 HydrophobicContact CB-CG 4.47Å; I442-F445 HydrophobicContact CG2-CD2 4.13Å; I442-F445 HydrophobicContact CG2-CE2 4.3Å; I442-F445 WeakPolarHBondContact O-CB 3.48Å; I442-F445 PolarHBondContact O-N 3.43Å; I442-T450 HydrophobicContact CB-CG2 4.15Å; I442-T450 HydrophobicContact CD1-CG2 3.8Å; I442-T450 HydrophobicContact CG1-CG2 4.15Å
443A85.5Confident85Confident72 Ų7269.3 Ų69.360%0.59539%0.392SS*.THydrogen-bonded Turntrans-59.7-21.7-178.800000113.8D441D441-A443 VanDerWaalsContact OD1-CB 3.26Å; D441-A443 WeakPolarHBondContact OD1-CB 3.41Å; D441-A443 PolarHBondContact OD1-N 2.93Å
444N83.6Confident84.5Confident19 Ų1967 Ų6710%0.10238%0.378CS..THydrogen-bonded Turntrans-94.39177.3-56.2-57.7000113.5N240 N435 I442N240-N444 PolarHBondContact O-ND2 3.08Å; N435-N444 PolarHBondContact O-ND2 3.3Å; I442-N444 PolarHBondContact O-N 2.86Å; I442-N444 VanDerWaalsContact O-N 3.09Å
445F82.5Confident84.1Confident32 Ų3268.9 Ų68.914%0.1439%0.39CS..SBendtrans-103151.6173.9-66.7-99.1000110.9I164 F238 V239 N240 I442 P447 T450I164-F445 HydrophobicContact CB-CD1 3.72Å; I164-F445 HydrophobicContact CB-CE1 3.8Å; I164-F445 HydrophobicContact CB-CG 4.41Å; I164-F445 HydrophobicContact CD1-CE1 4.09Å; I164-F445 HydrophobicContact CD1-CZ 4.42Å; I164-F445 HydrophobicContact CG1-CE1 4.36Å; I164-F445 HydrophobicContact CG2-CD1 4.27Å; I164-F445 HydrophobicContact CG2-CE1 4.38Å; I164-F445 WeakPolarHBondContact O-CD1 3.41Å; F238-F445 HydrophobicContact CD2-CZ 4.49Å; F238-F445 HydrophobicContact CE2-CE1 4.48Å; F238-F445 AromaticContact CE2-CE2 3.9Å; F238-F445 HydrophobicContact CE2-CE2 3.9Å; F238-F445 AromaticContact CE2-CZ 3.53Å; F238-F445 HydrophobicContact CE2-CZ 3.53Å; F238-F445 AromaticContact CZ-CE2 3.92Å; F238-F445 HydrophobicContact CZ-CE2 3.92Å; F238-F445 HydrophobicContact CZ-CZ 4.04Å; V239-F445 WeakPolarHBondContact O-CZ 3.4Å; N240-F445 HydrophobicContact CB-CE2 4.35Å; I442-F445 HydrophobicContact CB-CD2 3.82Å; I442-F445 HydrophobicContact CB-CE2 4.43Å; I442-F445 HydrophobicContact CB-CG 4.47Å; I442-F445 HydrophobicContact CG2-CD2 4.13Å; I442-F445 HydrophobicContact CG2-CE2 4.3Å; I442-F445 WeakPolarHBondContact O-CB 3.48Å; I442-F445 PolarHBondContact O-N 3.43Å; F445-P447 WeakPolarHBondContact O-CD 3.34Å; F445-T450 HydrophobicContact CB-CG2 3.7Å
446D81.1Confident83.5Confident84 Ų8468.7 Ų68.745%0.44939%0.389SS..  trans-60.6125.9-179.8-163.4-43000111.2E448 F449 T450D446-E448 PolarHBondContact O-N 3.46Å; D446-E448 VanDerWaalsContact O-N 3.16Å; D446-E448 WeakPolarHBondContact OD1-CB 3.4Å; D446-E448 PolarHBondContact OD1-N 3.3Å; D446-F449 HydrophobicContact CB-CD2 3.67Å; D446-F449 HydrophobicContact CB-CE2 3.77Å; D446-F449 HydrophobicContact CB-CG 4.49Å; D446-F449 PolarHBondContact O-N 2.55Å; D446-T450 PolarHBondContact O-N 2.9Å
447P80.3Confident82.8Confident73 Ų7370.4 Ų70.447%0.47440%0.403SS..Hα-helixtrans-52.9-30.4173.6-28.136.6000114.3F445 F449 T450 E451F445-P447 WeakPolarHBondContact O-CD 3.34Å; P447-F449 PolarHBondContact O-N 2.9Å; P447-F449 VanDerWaalsContact O-N 3.16Å; P447-T450 WeakPolarHBondContact CA-OG1 3.5Å; P447-T450 PolarHBondContact O-N 2.89Å; P447-E451 VanDerWaalsContact O-CB 3.29Å; P447-E451 WeakPolarHBondContact O-CB 3.45Å; P447-E451 VanDerWaalsContact O-CG 3.31Å; P447-E451 WeakPolarHBondContact O-CG 3.24Å; P447-E451 PolarHBondContact O-N 3.1Å
448E81.4Confident82.4Confident116 Ų11666.2 Ų66.254%0.54237%0.373SS..Hα-helixtrans-55.5-33.3175.5-176.3175.2172.600111.8D446D446-E448 PolarHBondContact O-N 3.46Å; D446-E448 VanDerWaalsContact O-N 3.16Å; D446-E448 WeakPolarHBondContact OD1-CB 3.4Å; D446-E448 PolarHBondContact OD1-N 3.3Å
449F84.3Confident81.3Confident47 Ų4765.8 Ų65.821%0.20637%0.37CS..Hα-helixtrans-88.1-48.4176.9-51.2-42.6000111.7V163 K166 D446 P447 E451 E452V163-F449 WeakPolarHBondContact CB-O 3.24Å; V163-F449 HydrophobicContact CG1-CB 4.37Å; V163-F449 CarbonylContact O-C 3.37Å; V163-F449 VanDerWaalsContact O-C 3.27Å; K166-F449 HydrophobicContact CB-CD1 4.46Å; K166-F449 HydrophobicContact CB-CE1 4.18Å; D446-F449 HydrophobicContact CB-CD2 3.67Å; D446-F449 HydrophobicContact CB-CE2 3.77Å; D446-F449 HydrophobicContact CB-CG 4.49Å; D446-F449 PolarHBondContact O-N 2.55Å; P447-F449 PolarHBondContact O-N 2.9Å; P447-F449 VanDerWaalsContact O-N 3.16Å; F449-E451 PolarHBondContact O-N 2.85Å; F449-E452 VanDerWaalsContact O-CB 3.28Å; F449-E452 WeakPolarHBondContact O-CB 3.34Å; F449-E452 PolarHBondContact O-N 3.46Å
450T85.9Confident80.1Confident20 Ų2070.4 Ų70.412%0.12338%0.375CS..Hα-helixtrans-71.2-18.8-17163.20000114.1K162 V163 I442 F445 D446 P447K162-T450 WeakPolarHBondContact CD-O 3.19Å; K162-T450 PolarHBondContact NZ-O 3.01Å; V163-T450 WeakPolarHBondContact O-CA 3.33Å; V163-T450 PolarHBondContact O-N 3.15Å; I442-T450 HydrophobicContact CB-CG2 4.15Å; I442-T450 HydrophobicContact CD1-CG2 3.8Å; I442-T450 HydrophobicContact CG1-CG2 4.15Å; F445-T450 HydrophobicContact CB-CG2 3.7Å; D446-T450 PolarHBondContact O-N 2.9Å; P447-T450 WeakPolarHBondContact CA-OG1 3.5Å; P447-T450 PolarHBondContact O-N 2.89Å
451E86.3Confident78.6Confident157 Ų15770.7 Ų70.773%0.73438%0.375SS*.THydrogen-bonded Turntrans-84-14.1171.3-66.5-178.3-179.500113.2P447 F449P447-E451 VanDerWaalsContact O-CB 3.29Å; P447-E451 WeakPolarHBondContact O-CB 3.45Å; P447-E451 VanDerWaalsContact O-CG 3.31Å; P447-E451 WeakPolarHBondContact O-CG 3.24Å; P447-E451 PolarHBondContact O-N 3.1Å; F449-E451 PolarHBondContact O-N 2.85Å
452E86.9Confident76.7Confident71 Ų7177.9 Ų77.933%0.33241%0.406SS..SBendtrans-69.4133.8177-167.8176.5-163.900111.1V163 K171 F449V163-E452 HydrophobicContact CB-CB 4.26Å; V163-E452 HydrophobicContact CG2-CB 4.16Å; V163-E452 HydrophobicContact CG2-CG 4.33Å; K171-E452 IonicContact NZ-OE1 3.28Å; K171-E452 PolarHBondContact NZ-OE1 3.23Å; K171-E452 IonicContact NZ-OE2 3.58Å; K171-E452 PolarHBondContact NZ-OE2 3.39Å; F449-E452 VanDerWaalsContact O-CB 3.28Å; F449-E452 WeakPolarHBondContact O-CB 3.34Å; F449-E452 PolarHBondContact O-N 3.46Å
453M83.6Confident74.5Confident169 Ų16983.7 Ų83.783%0.83343%0.432SS*.PPolyproline II helixtrans-68.3136.6175.2-69-173.3-178.500110.9P455M453-P455 WeakPolarHBondContact O-CD 3.25Å
454V84.3Confident72.3Confident39 Ų3988.8 Ų88.824%0.23644%0.443CS..PPolyproline II helixtrans-68116.2172178.80000109.1F160 L161 F173 N456 I458F160-V454 HydrophobicContact CB-CG1 3.75Å; L161-V454 WeakPolarHBondContact O-CG2 3.33Å; F173-V454 HydrophobicContact CD1-CG1 4.31Å; F173-V454 HydrophobicContact CD1-CG2 4.46Å; F173-V454 HydrophobicContact CE1-CG1 4.32Å; V454-N456 PolarHBondContact O-N 3.27Å; V454-I458 HydrophobicContact CG1-CD1 3.59Å
455P80.9Confident70.3Confident46 Ų4690.1 Ų90.130%0.29945%0.454SS..PPolyproline II helixtrans-64.7133.9179.2-23.433.6000112.8M453 S457 I458M453-P455 WeakPolarHBondContact O-CD 3.25Å; P455-S457 PolarHBondContact O-N 3.19Å; P455-S457 VanDerWaalsContact O-N 3.07Å; P455-I458 HydrophobicContact CB-CD1 4.48Å; P455-I458 WeakPolarHBondContact O-CD1 3.07Å; P455-I458 WeakPolarHBondContact O-CG1 3.34Å; P455-I458 PolarHBondContact O-N 2.78Å
456N73.9Confident68.3Low135 Ų13595.6 Ų95.672%0.72248%0.483SS*.G310 helixtrans-54.8-31175-68.8-20.5000112.7V454 I458 C459V454-N456 PolarHBondContact O-N 3.27Å; N456-I458 PolarHBondContact O-N 3.14Å; N456-C459 PolarHBondContact O-N 3.25Å
457S73.9Confident66.5Low69 Ų6996.9 Ų96.948%0.48349%0.494SS..G310 helixtrans-64.4-4.1-177.857.90000115.4K231 P455K231-S457 PolarHBondContact NZ-O 2.91Å; P455-S457 PolarHBondContact O-N 3.19Å; P455-S457 VanDerWaalsContact O-N 3.07Å
458I75.3Confident64.8Low7 Ų797 Ų974%0.03649%0.49CS..G310 helixtrans-72.4-40.8174.1-66.4161.6000111F160 F173 Y233 V454 P455 N456F160-I458 HydrophobicContact CD1-CG2 3.68Å; F160-I458 HydrophobicContact CD2-CG2 3.61Å; F160-I458 HydrophobicContact CE1-CG2 3.52Å; F160-I458 HydrophobicContact CE2-CG2 3.46Å; F160-I458 VanDerWaalsContact CE2-CG2 3.46Å; F160-I458 HydrophobicContact CG-CG2 3.72Å; F160-I458 HydrophobicContact CZ-CG2 3.41Å; F160-I458 VanDerWaalsContact CZ-CG2 3.41Å; F173-I458 HydrophobicContact CD1-CD1 3.8Å; F173-I458 HydrophobicContact CD2-CD1 4.41Å; F173-I458 HydrophobicContact CE1-CD1 3.15Å; F173-I458 HydrophobicContact CE1-CG1 4.38Å; F173-I458 HydrophobicContact CE2-CD1 3.88Å; F173-I458 HydrophobicContact CE2-CG1 4.41Å; F173-I458 HydrophobicContact CG-CD1 4.39Å; F173-I458 HydrophobicContact CZ-CD1 3.22Å; F173-I458 HydrophobicContact CZ-CG1 4.03Å; Y233-I458 HydrophobicContact CE1-CG2 4.49Å; Y233-I458 PolarHBondContact OH-O 2.74Å; Y233-I458 VanDerWaalsContact OH-O 3.09Å; V454-I458 HydrophobicContact CG1-CD1 3.59Å; P455-I458 HydrophobicContact CB-CD1 4.48Å; P455-I458 WeakPolarHBondContact O-CD1 3.07Å; P455-I458 WeakPolarHBondContact O-CG1 3.34Å; P455-I458 PolarHBondContact O-N 2.78Å; N456-I458 PolarHBondContact O-N 3.14Å
459C60.2Low63Low51 Ų5194.6 Ų94.635%0.34549%0.491SS..THydrogen-bonded Turntrans-87.3-17.1-178.4-58.10000113.1N456N456-C459 PolarHBondContact O-N 3.25Å
460W56.3Low61.1Low175 Ų17595.8 Ų95.866%0.66351%0.505SS*.  trans-106.2116.6-175.3-60.8106.7000111.6
461T50.5Low59.4Low45 Ų4596.3 Ų96.328%0.27651%0.508SS..  trans-79.5145.8153.946.30000108.2T228 E463T228-T461 HydrophobicContact CG2-CG2 3.62Å; T461-E463 VanDerWaalsContact C-N 3.25Å; T461-E463 PolarHBondContact O-N 3.39Å
462K46.6Very low57.6Low175 Ų17593.9 Ų93.976%0.76150%0.498SS*.  trans-66.994.5163.9-77.8-176.8177.7-178.60106.7H464 S465K462-H464 PolarHBondContact O-N 3Å; K462-S465 PolarHBondContact O-N 2.87Å; K462-S465 VanDerWaalsContact O-N 3.14Å
463E41.2Very low56.1Low155 Ų15596.9 Ų96.972%0.72451%0.512SS*.THydrogen-bonded Turntrans-59.3-5.7-180-76.1-177.6148.600113.9T461T461-E463 VanDerWaalsContact C-N 3.25Å; T461-E463 PolarHBondContact O-N 3.39Å
464H40.2Very low54.8Low179 Ų17989.3 Ų89.383%0.82948%0.476SS*.THydrogen-bonded Turntrans-132.836.5175.4-64.3-61.3000114K462 I466K462-H464 PolarHBondContact O-N 3Å; H464-I466 PolarHBondContact O-N 2.82Å
465S40.5Very low53.6Low47 Ų4790.2 Ų90.233%0.32948%0.48SS..  trans-70112.716456.70000108.9K462 V467K462-S465 PolarHBondContact O-N 2.87Å; K462-S465 VanDerWaalsContact O-N 3.14Å; S465-V467 PolarHBondContact O-N 3.21Å
466I40.5Very low53Low147 Ų14793.3 Ų93.375%0.75449%0.494SS*.  trans-40.6118.1168-59.7167.8000108H464 N468H464-I466 PolarHBondContact O-N 2.82Å; I466-N468 PolarHBondContact O-N 2.97Å
467V43.3Very low52.7Low111 Ų11187.7 Ų87.767%0.67347%0.466SS*.  trans-60.9102.4175.5-157.60000106.2S465 M472S465-V467 PolarHBondContact O-N 3.21Å; V467-M472 HydrophobicContact CG1-CG 3.83Å; V467-M472 HydrophobicContact CG1-SD 4.22Å
468N44.9Very low53Low75 Ų7584.4 Ų84.440%0.40144%0.443SS..  trans-110.3161.7177.868.817.8000108.6I466 S470 V471 M472I466-N468 PolarHBondContact O-N 2.97Å; N468-S470 VanDerWaalsContact CG-OG 3.31Å; N468-S470 PolarHBondContact ND2-OG 3.22Å; N468-S470 PolarHBondContact O-N 3.28Å; N468-S470 VanDerWaalsContact O-N 3.08Å; N468-S470 PolarHBondContact OD1-N 2.81Å; N468-S470 PolarHBondContact OD1-OG 3.34Å; N468-V471 PolarHBondContact O-N 2.97Å; N468-V471 WeakPolarHBondContact OD1-CG2 3.32Å; N468-V471 PolarHBondContact OD1-N 3.35Å; N468-M472 PolarHBondContact O-N 3.37Å
469A44.5Very low53.1Low67 Ų6788.9 Ų88.955%0.55447%0.467SS*.Hα-helixtrans-51.8-36.9-176.900000112.8V471 M472 E473A469-V471 VanDerWaalsContact C-N 3.35Å; A469-V471 PolarHBondContact O-N 3.32Å; A469-M472 PolarHBondContact O-N 3.17Å; A469-E473 WeakPolarHBondContact O-CB 3.16Å; A469-E473 WeakPolarHBondContact O-CG 3.31Å; A469-E473 PolarHBondContact O-N 2.66Å
470S44.1Very low53.9Low72 Ų7287.3 Ų87.350%0.50346%0.459SS..Hα-helixtrans-68.4-26.3178.960.50000115N468 A474N468-S470 VanDerWaalsContact CG-OG 3.31Å; N468-S470 PolarHBondContact ND2-OG 3.22Å; N468-S470 PolarHBondContact O-N 3.28Å; N468-S470 VanDerWaalsContact O-N 3.08Å; N468-S470 PolarHBondContact OD1-N 2.81Å; N468-S470 PolarHBondContact OD1-OG 3.34Å; S470-A474 WeakPolarHBondContact O-CB 3.2Å; S470-A474 PolarHBondContact O-N 3.1Å
471V50Low55.2Low31 Ų3179 Ų7919%0.18843%0.427CS..Hα-helixtrans-78.3-39.9173.7172.40000110N468 A469 A474 D475N468-V471 PolarHBondContact O-N 2.97Å; N468-V471 WeakPolarHBondContact OD1-CG2 3.32Å; N468-V471 PolarHBondContact OD1-N 3.35Å; A469-V471 VanDerWaalsContact C-N 3.35Å; A469-V471 PolarHBondContact O-N 3.32Å; V471-A474 PolarHBondContact O-N 2.87Å; V471-D475 PolarHBondContact O-N 2.93Å
472M48.9Very low56.6Low106 Ų10678.5 Ų78.552%0.52243%0.426SS..Hα-helixtrans-64-45.5176-65.2-178.966.600111.7V467 N468 A469 A474 D475 D476V467-M472 HydrophobicContact CG1-CG 3.83Å; V467-M472 HydrophobicContact CG1-SD 4.22Å; N468-M472 PolarHBondContact O-N 3.37Å; A469-M472 PolarHBondContact O-N 3.17Å; M472-A474 VanDerWaalsContact C-N 3.25Å; M472-A474 PolarHBondContact O-N 3Å; M472-D475 PolarHBondContact O-N 3.06Å; M472-D476 WeakPolarHBondContact O-CB 3.39Å; M472-D476 PolarHBondContact O-N 3.41Å
473E54.7Low57.9Low134 Ų13472.5 Ų72.563%0.62640%0.398SS*.Hα-helixtrans-58.9-36.6174.4-75.4173.3-172.400112.3A469 A477A469-E473 WeakPolarHBondContact O-CB 3.16Å; A469-E473 WeakPolarHBondContact O-CG 3.31Å; A469-E473 PolarHBondContact O-N 2.66Å; E473-A477 WeakPolarHBondContact O-CB 3.46Å; E473-A477 PolarHBondContact O-N 3.25Å; E473-A477 VanDerWaalsContact O-N 3.12Å
474A55.9Low59Low9 Ų965.9 Ų65.97%0.07437%0.371CS..Hα-helixtrans-74.3-33177.600000113.1K191 L195 S470 V471 M472 F478K191-A474 HydrophobicContact CD-CB 4.5Å; L195-A474 HydrophobicContact CD1-CB 3.57Å; S470-A474 WeakPolarHBondContact O-CB 3.2Å; S470-A474 PolarHBondContact O-N 3.1Å; V471-A474 PolarHBondContact O-N 2.87Å; M472-A474 VanDerWaalsContact C-N 3.25Å; M472-A474 PolarHBondContact O-N 3Å; A474-F478 WeakPolarHBondContact O-CD2 3.25Å
475D58.9Low60.1Low59 Ų5959.2 Ų59.232%0.31634%0.343SS..Hα-helixtrans-73.4-41.6174.9-77-15.8000111.3K191 V471 M472 A477 F478 L479K191-D475 IonicContact NZ-OD1 3.13Å; K191-D475 PolarHBondContact NZ-OD1 3.37Å; V471-D475 PolarHBondContact O-N 2.93Å; M472-D475 PolarHBondContact O-N 3.06Å; D475-A477 VanDerWaalsContact C-N 3.27Å; D475-A477 PolarHBondContact O-N 3.14Å; D475-F478 PolarHBondContact O-N 3.28Å; D475-L479 PolarHBondContact O-N 2.92Å
476D67.9Low60.8Low111 Ų11162.2 Ų62.259%0.59436%0.362SS*.Hα-helixtrans-63.4-32.9175.7-71.6-20.8000112.2M472 F478 L479M472-D476 WeakPolarHBondContact O-CB 3.39Å; M472-D476 PolarHBondContact O-N 3.41Å; D476-F478 VanDerWaalsContact C-N 3.28Å; D476-F478 PolarHBondContact O-N 2.98Å; D476-L479 PolarHBondContact O-N 3.28Å
477A68.8Low61.3Low16 Ų1658.7 Ų58.713%0.13235%0.35CS..Hα-helixtrans-65.3-25.8177.100000113.9L195 Q200 E473 D475L195-A477 HydrophobicContact CD2-CB 3.79Å; Q200-A477 HydrophobicContact CG-CB 4.4Å; Q200-A477 WeakPolarHBondContact CG-O 3.45Å; Q200-A477 PolarHBondContact NE2-O 3.41Å; E473-A477 WeakPolarHBondContact O-CB 3.46Å; E473-A477 PolarHBondContact O-N 3.25Å; E473-A477 VanDerWaalsContact O-N 3.12Å; D475-A477 VanDerWaalsContact C-N 3.27Å; D475-A477 PolarHBondContact O-N 3.14Å
478F79.7Confident61.4Low0 Ų061.2 Ų61.20%036%0.36CS..THydrogen-bonded Turntrans-115.230.4-180-57.6-75.1000111.8K191 I194 L195 Q200 M204 Q227 L232 A474 D475 D476 G480 F481K191-F478 HydrophobicContact CB-CE2 4Å; K191-F478 HydrophobicContact CD-CD2 3.91Å; K191-F478 HydrophobicContact CD-CE2 4.14Å; K191-F478 HydrophobicContact CG-CD2 3.96Å; K191-F478 HydrophobicContact CG-CE2 3.79Å; I194-F478 HydrophobicContact CB-CZ 4.15Å; I194-F478 HydrophobicContact CD1-CZ 4.34Å; I194-F478 HydrophobicContact CG2-CE1 4.04Å; I194-F478 HydrophobicContact CG2-CZ 3.72Å; L195-F478 HydrophobicContact CD1-CE2 4.32Å; L195-F478 HydrophobicContact CD2-CE2 4.1Å; L195-F478 HydrophobicContact CD2-CZ 4.15Å; L195-F478 HydrophobicContact CG-CE2 4.1Å; L195-F478 HydrophobicContact CG-CZ 4.27Å; Q200-F478 HydrophobicContact CB-CE1 4.05Å; Q200-F478 HydrophobicContact CB-CZ 4.3Å; Q200-F478 HydrophobicContact CG-CD1 4.09Å; Q200-F478 HydrophobicContact CG-CE1 3.68Å; Q200-F478 HydrophobicContact CG-CZ 4.16Å; M204-F478 HydrophobicContact CG-CD1 4.47Å; M204-F478 HydrophobicContact SD-CD1 4.15Å; Q227-F478 PolarHBondContact NE2-O 3.04Å; L232-F478 HydrophobicContact CD1-CD1 3.64Å; L232-F478 HydrophobicContact CD1-CD2 4.44Å; L232-F478 HydrophobicContact CD1-CE1 3.68Å; L232-F478 HydrophobicContact CD1-CG 4.05Å; L232-F478 HydrophobicContact CD1-CZ 4.15Å; L232-F478 HydrophobicContact CD2-CB 4.06Å; L232-F478 HydrophobicContact CD2-CD1 4.37Å; L232-F478 HydrophobicContact CD2-CD2 4.28Å; L232-F478 HydrophobicContact CD2-CG 3.98Å; A474-F478 WeakPolarHBondContact O-CD2 3.25Å; D475-F478 PolarHBondContact O-N 3.28Å; D476-F478 VanDerWaalsContact C-N 3.28Å; D476-F478 PolarHBondContact O-N 2.98Å; F478-G480 PolarHBondContact O-N 3.41Å; F478-F481 HydrophobicContact CB-CB 4.27Å; F478-F481 VanDerWaalsContact O-CB 3.26Å; F478-F481 WeakPolarHBondContact O-CB 3.01Å; F478-F481 PolarHBondContact O-N 2.85Å; F478-F481 VanDerWaalsContact O-N 3.09Å
479L76.9Confident61.4Low102 Ų10263.5 Ų63.553%0.53437%0.372SS..THydrogen-bonded Turntrans-55.6131.9174.4-164103.4000110.1M204 D475 D476 F481M204-L479 WeakPolarHBondContact CE-O 3.44Å; D475-L479 PolarHBondContact O-N 2.92Å; D476-L479 PolarHBondContact O-N 3.28Å; L479-F481 VanDerWaalsContact C-N 3.35Å
480G77.6Confident60.9Low18 Ų1864.1 Ų64.119%0.18637%0.372CS..THydrogen-bonded Turntrans78.312.1-17900000114.5S148 R207 F478S148-G480 PolarHBondContact OG-O 2.79Å; R207-G480 PolarHBondContact NH1-O 2.72Å; R207-G480 PolarHBondContact NH2-O 3.27Å; F478-G480 PolarHBondContact O-N 3.41Å
481F82.6Confident60.3Low0 Ų069.6 Ų69.60%039%0.387CS..  trans-72-23174-174.6-88.1000113.8I203 M204 R207 S225 F226 Q227 L232 Y233 F234 F478 L479I203-F481 HydrophobicContact CG2-CE2 4.08Å; M204-F481 HydrophobicContact CE-CB 4.49Å; M204-F481 HydrophobicContact SD-CB 4.15Å; M204-F481 HydrophobicContact SD-CD2 3.83Å; R207-F481 HydrophobicContact CB-CE2 4.3Å; R207-F481 WeakPolarHBondContact CD-O 3.18Å; R207-F481 HydrophobicContact CG-CE2 4.44Å; R207-F481 VanDerWaalsContact NE-C 3.31Å; R207-F481 PolarHBondContact NE-O 2.82Å; R207-F481 PolarHBondContact NH2-O 2.96Å; S225-F481 WeakPolarHBondContact CB-O 3.2Å; S225-F481 PolarHBondContact OG-O 3.03Å; F226-F481 VanDerWaalsContact O-CE1 3.29Å; F226-F481 WeakPolarHBondContact O-CE1 3.35Å; Q227-F481 HydrophobicContact CB-CD1 4.24Å; L232-F481 HydrophobicContact CB-CE1 3.91Å; L232-F481 HydrophobicContact CB-CE2 4.27Å; L232-F481 HydrophobicContact CB-CZ 3.77Å; L232-F481 HydrophobicContact CD1-CD2 4.24Å; L232-F481 HydrophobicContact CD1-CE2 4.01Å; L232-F481 HydrophobicContact CD1-CZ 4.36Å; L232-F481 HydrophobicContact CD2-CD1 3.95Å; L232-F481 HydrophobicContact CD2-CD2 4.31Å; L232-F481 HydrophobicContact CD2-CE1 4.17Å; L232-F481 HydrophobicContact CD2-CG 4.05Å; L232-F481 HydrophobicContact CD2-CZ 4.45Å; L232-F481 HydrophobicContact CG-CE2 4.5Å; L232-F481 HydrophobicContact CG-CZ 4.42Å; Y233-F481 WeakPolarHBondContact O-CE1 3.29Å; F234-F481 HydrophobicContact CD1-CZ 4.28Å; F234-F481 AromaticContact CD2-CZ 3.92Å; F234-F481 HydrophobicContact CD2-CZ 3.92Å; F234-F481 AromaticContact CE1-CE2 3.96Å; F234-F481 HydrophobicContact CE1-CE2 3.96Å; F234-F481 AromaticContact CE1-CZ 3.92Å; F234-F481 HydrophobicContact CE1-CZ 3.92Å; F234-F481 AromaticContact CE2-CE2 3.75Å; F234-F481 HydrophobicContact CE2-CE2 3.75Å; F234-F481 AromaticContact CE2-CZ 3.52Å; F234-F481 HydrophobicContact CE2-CZ 3.52Å; F234-F481 HydrophobicContact CG-CZ 4.29Å; F234-F481 AromaticContact CZ-CE2 3.41Å; F234-F481 HydrophobicContact CZ-CE2 3.41Å; F234-F481 VanDerWaalsContact CZ-CE2 3.41Å; F234-F481 AromaticContact CZ-CZ 3.54Å; F234-F481 HydrophobicContact CZ-CZ 3.54Å; F478-F481 HydrophobicContact CB-CB 4.27Å; F478-F481 VanDerWaalsContact O-CB 3.26Å; F478-F481 WeakPolarHBondContact O-CB 3.01Å; F478-F481 PolarHBondContact O-N 2.85Å; F478-F481 VanDerWaalsContact O-N 3.09Å; L479-F481 VanDerWaalsContact C-N 3.35Å
482S80.6Confident59.3Low34 Ų3480.7 Ų80.724%0.23844%0.437CS..  trans-72.9136.2-177.6-600000111.6S148 R207 S225S148-S482 CarbonylContact C-O 3.55Å; S148-S482 VanDerWaalsContact CB-O 3.25Å; S148-S482 WeakPolarHBondContact CB-O 3.48Å; S148-S482 CarbonylContact O-C 3.53Å; S148-S482 PolarHBondContact OG-O 2.56Å; R207-S482 PolarHBondContact NH2-O 3.17Å; S225-S482 CarbonylContact O-C 3.57Å; S225-S482 WeakPolarHBondContact O-CA 3.32Å
483Y74.4Confident59.9Low49 Ų4979.4 Ų79.419%0.19243%0.433CS..BIsolated β-bridgetrans-152134.4175.7169.1-101.8000109.3L211 Y224 S225 P485L211-Y483 HydrophobicContact CD1-CD2 4.49Å; L211-Y483 HydrophobicContact CD1-CG 4.42Å; L211-Y483 HydrophobicContact CD2-CD1 3.23Å; L211-Y483 HydrophobicContact CD2-CD2 3.44Å; L211-Y483 VanDerWaalsContact CD2-CD2 3.44Å; L211-Y483 HydrophobicContact CD2-CE1 3.5Å; L211-Y483 VanDerWaalsContact CD2-CE1 3.5Å; L211-Y483 HydrophobicContact CD2-CE2 3.71Å; L211-Y483 HydrophobicContact CD2-CG 3.18Å; L211-Y483 HydrophobicContact CG-CG 4.44Å; Y224-Y483 WeakPolarHBondContact CA-O 3.39Å; S225-Y483 PolarHBondContact N-O 3.29Å; S225-Y483 PolarHBondContact O-N 3.34Å; S225-Y483 VanDerWaalsContact O-O 3.12Å; S225-Y483 WeakPolarHBondContact OG-CB 3.49Å; Y483-P485 HydrophobicContact CE1-CB 4.28Å; Y483-P485 HydrophobicContact CE1-CG 4.26Å
484A65.1Low60.1Low17 Ų1776.5 Ų76.514%0.1442%0.422CS..  trans-138.4125.6165.400000107N150 Y224N150-A484 HydrophobicContact CB-CB 3.99Å; Y224-A484 HydrophobicContact CD1-CB 3.83Å; Y224-A484 HydrophobicContact CE1-CB 4.11Å
485P61.8Low60.4Low39 Ų3980.3 Ų80.325%0.25344%0.442SS..PPolyproline II helixtrans-62.1151.5174.324.8-30.6000108.7H223 Y483 S487H223-P485 WeakPolarHBondContact O-CD 3.44Å; H223-P485 VanDerWaalsContact O-CG 3.31Å; H223-P485 WeakPolarHBondContact O-CG 3.38Å; Y483-P485 HydrophobicContact CE1-CB 4.28Å; Y483-P485 HydrophobicContact CE1-CG 4.26Å; P485-S487 PolarHBondContact O-N 3.01Å
486P54.7Low60.5Low110 Ų11081.5 Ų81.571%0.71445%0.449SS*.PPolyproline II helixtrans-51.6128.4165.1-18.229.8000108.1D488P486-D488 PolarHBondContact O-N 2.85Å
487S51.5Low60Low73 Ų7379.7 Ų79.751%0.5144%0.44SS..PPolyproline II helixtrans-58.1127168.247.50000107.6P485 D489 S490P485-S487 PolarHBondContact O-N 3.01Å; S487-D489 PolarHBondContact O-N 2.71Å; S487-S490 PolarHBondContact O-N 3.17Å; S487-S490 PolarHBondContact O-OG 3.32Å
488D45.4Very low59.4Low163 Ų16383.9 Ų83.987%0.87246%0.461SS*.THydrogen-bonded Turntrans-54-13.3170.2-83.2-28.8000112P486 S490P486-D488 PolarHBondContact O-N 2.85Å; D488-S490 PolarHBondContact O-N 3.33Å
489D44.8Very low58Low124 Ų12489.9 Ų89.966%0.66349%0.494SS*.THydrogen-bonded Turntrans-85.27.9178-55.5-38000115.2S487 F491S487-D489 PolarHBondContact O-N 2.71Å; D489-F491 PolarHBondContact O-N 2.95Å
490S34.7Very low56.5Low79 Ų7989 Ų8955%0.55249%0.49SS*.SBendtrans-70.8717344.50000114.6S487 D488S487-S490 PolarHBondContact O-N 3.17Å; S487-S490 PolarHBondContact O-OG 3.32Å; D488-S490 PolarHBondContact O-N 3.33Å
491F32.3Very low54.8Low187 Ų18794.9 Ų94.982%0.8252%0.516SS*.  trans-134.284.1166.6-67.9-80.1000110.9D489D489-F491 PolarHBondContact O-N 2.95Å
492Q29.1Very low52.2Low264 Ų264103.5 Ų103.5100%1.23456%0.563SS**  trans-149.90147.5-111.4175.225.700111

Retrieved 492 of 492 residues in 148.7 ms (Link to these results)

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