A0A087X9Q4_POEFO Loading...

Interferon alpha/beta receptor 2-like

AlphaFold DB , UniProt , Accession A0A087X9Q4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 460 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
1M56.6Low62.6Low204 Ų204124.9 Ų124.9100%1.00561%0.613SS**  0-36.30-81.6-168.7-84.800112.8
2T68.1Low62.2Low92 Ų92121.1 Ų121.156%0.56461%0.605SS**Hα-helixtrans-59-47178.445.60000114.3L4 L5 W6T2-L4 VanDerWaalsContact C-N 3.31Å; T2-L4 PolarHBondContact O-N 3.47Å; T2-L5 WeakPolarHBondContact O-CB 3.37Å; T2-L5 PolarHBondContact O-N 3.12Å; T2-W6 PolarHBondContact O-N 3.39Å; T2-W6 VanDerWaalsContact O-N 3.1Å
3E60.3Low61.7Low134 Ų134121.5 Ų121.563%0.62661%0.609SS**Hα-helixtrans-59.8-38.5-177.5-54.2-45112.200113.4L5 W6 I7E3-L5 VanDerWaalsContact C-N 3.33Å; E3-L5 PolarHBondContact O-N 3.33Å; E3-W6 PolarHBondContact O-N 3.25Å; E3-I7 WeakPolarHBondContact O-CG1 3.47Å; E3-I7 PolarHBondContact O-N 2.96Å
4L60.2Low61.1Low119 Ų119116.9 Ų116.962%0.62360%0.599SS**Hα-helixtrans-66.2-34.8176.9-98159.7000112.4T2 L8T2-L4 VanDerWaalsContact C-N 3.31Å; T2-L4 PolarHBondContact O-N 3.47Å; L4-L8 WeakPolarHBondContact O-CB 3.14Å; L4-L8 WeakPolarHBondContact O-CG 3.15Å; L4-L8 PolarHBondContact O-N 2.89Å
5L64.3Low60.5Low111 Ų111116.9 Ų116.958%0.58160%0.6SS**Hα-helixtrans-70.2-33.3174.3-77.7159.8000112T2 E3 T9T2-L5 WeakPolarHBondContact O-CB 3.37Å; T2-L5 PolarHBondContact O-N 3.12Å; E3-L5 VanDerWaalsContact C-N 3.33Å; E3-L5 PolarHBondContact O-N 3.33Å; L5-T9 WeakPolarHBondContact O-CB 3.29Å; L5-T9 WeakPolarHBondContact O-CG2 3.39Å; L5-T9 PolarHBondContact O-N 3.41Å; L5-T9 PolarHBondContact O-OG1 3.45Å
6W65.1Low59.8Low158 Ų158115.8 Ų115.860%0.59860%0.601SS**Hα-helixtrans-67.4-46.5171.3-86.679.5000111.9T2 E3 L8 T9 W10T2-W6 PolarHBondContact O-N 3.39Å; T2-W6 VanDerWaalsContact O-N 3.1Å; E3-W6 PolarHBondContact O-N 3.25Å; W6-L8 VanDerWaalsContact C-N 3.33Å; W6-L8 PolarHBondContact O-N 3.34Å; W6-T9 WeakPolarHBondContact CA-OG1 3.42Å; W6-T9 PolarHBondContact O-N 3.49Å; W6-T9 PolarHBondContact O-OG1 3.1Å; W6-W10 HydrophobicContact CE3-CZ2 4.42Å; W6-W10 AromaticContact CE3-NE1 3.3Å; W6-W10 VanDerWaalsContact CE3-NE1 3.3Å; W6-W10 HydrophobicContact CZ3-CZ2 4.03Å; W6-W10 AromaticContact CZ3-NE1 3.53Å; W6-W10 PolarHBondContact O-N 3.39Å; W6-W10 VanDerWaalsContact O-N 3.13Å
7I65.3Low59.2Low109 Ų109114.1 Ų114.156%0.55961%0.607SS**Hα-helixtrans-61.2-42.6176.5-64.7165.4000111.1E3 T9 W10 L11E3-I7 WeakPolarHBondContact O-CG1 3.47Å; E3-I7 PolarHBondContact O-N 2.96Å; I7-T9 PolarHBondContact O-N 2.93Å; I7-W10 PolarHBondContact O-N 3.03Å; I7-L11 PolarHBondContact O-N 2.98Å
8L64.6Low58.9Low104 Ų104114.6 Ų114.655%0.54562%0.615SS.*Hα-helixtrans-67.9-27.5178.1-82163.5000114.5L4 W6 P12L4-L8 WeakPolarHBondContact O-CB 3.14Å; L4-L8 WeakPolarHBondContact O-CG 3.15Å; L4-L8 PolarHBondContact O-N 2.89Å; W6-L8 VanDerWaalsContact C-N 3.33Å; W6-L8 PolarHBondContact O-N 3.34Å; L8-P12 WeakPolarHBondContact O-CD 3.37Å
9T66.3Low59.1Low89 Ų89113.9 Ų113.955%0.54662%0.62SS.*Hα-helixtrans-82.8-23.8176.843.50000112.9L5 W6 I7 P12L5-T9 WeakPolarHBondContact O-CB 3.29Å; L5-T9 WeakPolarHBondContact O-CG2 3.39Å; L5-T9 PolarHBondContact O-N 3.41Å; L5-T9 PolarHBondContact O-OG1 3.45Å; W6-T9 WeakPolarHBondContact CA-OG1 3.42Å; W6-T9 PolarHBondContact O-N 3.49Å; W6-T9 PolarHBondContact O-OG1 3.1Å; I7-T9 PolarHBondContact O-N 2.93Å; T9-P12 WeakPolarHBondContact O-CD 3.34Å; T9-P12 WeakPolarHBondContact O-CG 3.49Å
10W59.1Low60.1Low162 Ų162111.4 Ų111.461%0.61462%0.622SS**Hα-helixtrans-87.1-24.6174.3-72.655.7000112.6W6 I7 L13 A14W6-W10 HydrophobicContact CE3-CZ2 4.42Å; W6-W10 AromaticContact CE3-NE1 3.3Å; W6-W10 VanDerWaalsContact CE3-NE1 3.3Å; W6-W10 HydrophobicContact CZ3-CZ2 4.03Å; W6-W10 AromaticContact CZ3-NE1 3.53Å; W6-W10 PolarHBondContact O-N 3.39Å; W6-W10 VanDerWaalsContact O-N 3.13Å; I7-W10 PolarHBondContact O-N 3.03Å; W10-L13 WeakPolarHBondContact O-CB 3.45Å; W10-L13 PolarHBondContact O-N 2.77Å; W10-L13 VanDerWaalsContact O-N 3.08Å; W10-A14 PolarHBondContact O-N 3.2Å
11L58.4Low61.5Low92 Ų92106.9 Ų106.948%0.48260%0.596SS.*Hα-helixtrans-51.1-51.4174.6-146.974.9000113.9I7 L13 A14 L15I7-L11 PolarHBondContact O-N 2.98Å; L11-L13 VanDerWaalsContact C-N 3.25Å; L11-L13 PolarHBondContact O-N 2.68Å; L11-A14 PolarHBondContact O-N 2.97Å; L11-L15 HydrophobicContact CG-CD1 4.06Å; L11-L15 WeakPolarHBondContact O-CD1 3.47Å; L11-L15 PolarHBondContact O-N 3.22Å
12P58.6Low63.3Low79 Ų7998.9 Ų98.951%0.51356%0.559SS.*Hα-helixtrans-64.8-28177.525.8-35.4000113.3L8 T9 T16L8-P12 WeakPolarHBondContact O-CD 3.37Å; T9-P12 WeakPolarHBondContact O-CD 3.34Å; T9-P12 WeakPolarHBondContact O-CG 3.49Å; P12-T16 PolarHBondContact O-N 3.4Å
13L55.3Low64.5Low126 Ų12696.2 Ų96.266%0.6655%0.547SS*.Hα-helixtrans-76-32.6176.8-157.971.3000111.7W10 L11 T16W10-L13 WeakPolarHBondContact O-CB 3.45Å; W10-L13 PolarHBondContact O-N 2.77Å; W10-L13 VanDerWaalsContact O-N 3.08Å; L11-L13 VanDerWaalsContact C-N 3.25Å; L11-L13 PolarHBondContact O-N 2.68Å; L13-T16 PolarHBondContact O-OG1 3.33Å
14A53.6Low66.2Low57 Ų5790 Ų9047%0.47152%0.519SS..Hα-helixtrans-72.9-33.9170.500000112.4W10 L11 T16 A17W10-A14 PolarHBondContact O-N 3.2Å; L11-A14 PolarHBondContact O-N 2.97Å; A14-T16 VanDerWaalsContact C-N 3.32Å; A14-T16 PolarHBondContact O-N 2.92Å; A14-A17 WeakPolarHBondContact O-CB 3.43Å; A14-A17 PolarHBondContact O-N 2.99Å
15L52.1Low67.9Low117 Ų11788.6 Ų88.661%0.61351%0.511SS*.Hα-helixtrans-65.6-29.4178.5-9976.8000113.3L11 A17 V18L11-L15 HydrophobicContact CG-CD1 4.06Å; L11-L15 WeakPolarHBondContact O-CD1 3.47Å; L11-L15 PolarHBondContact O-N 3.22Å; L15-A17 PolarHBondContact O-N 3.38Å; L15-V18 PolarHBondContact O-N 3.13Å
16T49.7Very low69.4Low100 Ų10087.9 Ų87.961%0.61351%0.508SS*.G310 helixtrans-68.5-21.2176.157.20000113.2P12 L13 A14 V18 S19P12-T16 PolarHBondContact O-N 3.4Å; L13-T16 PolarHBondContact O-OG1 3.33Å; A14-T16 VanDerWaalsContact C-N 3.32Å; A14-T16 PolarHBondContact O-N 2.92Å; T16-V18 VanDerWaalsContact C-N 3.28Å; T16-V18 PolarHBondContact O-N 3.08Å; T16-S19 PolarHBondContact O-OG 3.23Å
17A48.9Very low70.9Confident86 Ų8681.7 Ų81.771%0.71149%0.487SS*.G310 helixtrans-78.4-6.9175.900000114.1A14 L15A14-A17 WeakPolarHBondContact O-CB 3.43Å; A14-A17 PolarHBondContact O-N 2.99Å; L15-A17 PolarHBondContact O-N 3.38Å
18V54Low72.4Confident124 Ų12480.8 Ų80.875%0.75248%0.479SS*.G310 helixtrans-117.836.9178-159.10000111.1L15 T16 G20L15-V18 PolarHBondContact O-N 3.13Å; T16-V18 VanDerWaalsContact C-N 3.28Å; T16-V18 PolarHBondContact O-N 3.08Å; V18-G20 PolarHBondContact O-N 3.24Å
19S62.6Low73.9Confident101 Ų10176.9 Ų76.971%0.70646%0.459SS*.  trans-71.4109.9161.445.50000108.9T16T16-S19 PolarHBondContact O-OG 3.23Å
20G78.6Confident75.3Confident63 Ų6375.9 Ų75.965%0.64945%0.453SS*.PPolyproline II helixtrans-58.7152175.400000111.6V18 P22V18-G20 PolarHBondContact O-N 3.24Å; G20-P22 WeakPolarHBondContact O-CD 3.35Å
21L90.8Very high77Confident18 Ų1869.7 Ų69.79%0.09443%0.432CS..PPolyproline II helixtrans-57.6124.2-176.3-172.167.2000110.5P47 T50 A99 L101 S106L21-P47 HydrophobicContact CD1-CG 3.8Å; L21-T50 HydrophobicContact CD1-CG2 4.35Å; L21-T50 HydrophobicContact CD2-CG2 4.3Å; L21-A99 VanDerWaalsContact CD2-C 3.42Å; L21-A99 HydrophobicContact CD2-CB 3.82Å; L21-A99 WeakPolarHBondContact CD2-O 3Å; L21-A99 HydrophobicContact CG-CB 4.21Å; L21-L101 HydrophobicContact CD1-CB 4.24Å; L21-L101 HydrophobicContact CD2-CB 4.22Å; L21-S106 WeakPolarHBondContact O-CA 3.43Å; L21-S106 WeakPolarHBondContact O-CB 2.98Å
22P92.8Very high78.4Confident35 Ų3568.6 Ų68.623%0.22743%0.427CS..PPolyproline II helixtrans-58.6139.8-176.2-27.535.6000112.6G20 A44 S106G20-P22 WeakPolarHBondContact O-CD 3.35Å; P22-A44 WeakPolarHBondContact CG-O 3.45Å; P22-S106 WeakPolarHBondContact O-CB 3.24Å
23A94.5Very high79.6Confident37 Ų3772.7 Ų72.731%0.30644%0.439SS..PPolyproline II helixtrans-65.7148.3172.600000110.8G43 Q107A23-G43 WeakPolarHBondContact O-CA 3.45Å; A23-Q107 HydrophobicContact CB-CB 4.37Å; A23-Q107 WeakPolarHBondContact CB-O 3.28Å
24P96.1Very high81Confident4 Ų469.2 Ų69.23%0.02643%0.425CS..PPolyproline II helixtrans-59.2154.6167.8-17.529.5000111.2F52 V97 A99 A109P24-F52 HydrophobicContact CB-CE1 4.37Å; P24-F52 HydrophobicContact CG-CD1 3.96Å; P24-F52 HydrophobicContact CG-CE1 4Å; P24-V97 HydrophobicContact CB-CB 4.42Å; P24-V97 HydrophobicContact CB-CG1 4.23Å; P24-V97 HydrophobicContact CG-CB 4.16Å; P24-V97 HydrophobicContact CG-CG1 3.88Å; P24-A99 HydrophobicContact CG-CB 4.45Å; P24-A109 HydrophobicContact CB-CB 3.79Å; P24-A109 HydrophobicContact CG-CB 4.1Å; P24-A109 VanDerWaalsContact O-CB 3.29Å; P24-A109 WeakPolarHBondContact O-CB 3.48Å
25L95.6Very high82.8Confident89 Ų8966.5 Ų66.547%0.46640%0.403SS..EExtended strand (participates in β ladder)trans-124.6164179.8-63.1175.8000110.4V27 E41L25-V27 PolarHBondContact O-N 3.1Å; L25-E41 PolarHBondContact N-O 3.5Å; L25-E41 PolarHBondContact O-N 2.97Å
26N95.7Very high84.9Confident95 Ų9560.9 Ų60.951%0.50837%0.374SS..EExtended strand (participates in β ladder)trans48.553.9172.1-62.7-26.4000112.9K28 E41N26-K28 WeakPolarHBondContact O-CE 3.42Å; N26-K28 WeakPolarHBondContact O-CG 3.4Å; N26-E41 HydrophobicContact CB-CB 4.38Å; N26-E41 HydrophobicContact CB-CG 4.3Å; N26-E41 PolarHBondContact ND2-OE2 2.9Å
27V96.6Very high87.1Confident28 Ų2858 Ų5817%0.1735%0.353CS..EExtended strand (participates in β ladder)trans-76.1121.5175.2-178.10000109.3L25 L38 T39 W40 V97 A109 L111L25-V27 PolarHBondContact O-N 3.1Å; V27-L38 HydrophobicContact CG1-CD1 3.67Å; V27-L38 HydrophobicContact CG1-CG 4.49Å; V27-T39 WeakPolarHBondContact CA-O 3.42Å; V27-W40 HydrophobicContact CG2-CB 4.01Å; V27-V97 HydrophobicContact CG1-CG2 4.07Å; V27-V97 HydrophobicContact CG2-CB 4.48Å; V27-V97 HydrophobicContact CG2-CG2 4.15Å; V27-A109 HydrophobicContact CG2-CB 3.51Å; V27-L111 HydrophobicContact CG1-CB 4.25Å
28K96.4Very high89.4Confident91 Ų9153.9 Ų53.940%0.39632%0.319SS..EExtended strand (participates in β ladder)trans-145.6133.3-172.29.4171.6-174.1-166.20109.5N26 T39 E41N26-K28 WeakPolarHBondContact O-CE 3.42Å; N26-K28 WeakPolarHBondContact O-CG 3.4Å; K28-T39 WeakPolarHBondContact CG-OG1 3.29Å; K28-T39 PolarHBondContact N-O 3.22Å; K28-T39 PolarHBondContact O-N 2.91Å; K28-T39 PolarHBondContact O-OG1 2.73Å; K28-E41 WeakPolarHBondContact CE-OE1 3.5Å; K28-E41 IonicContact NZ-OE1 2.59Å; K28-E41 PolarHBondContact NZ-OE1 3.3Å
29V97.1Very high91.5Very high21 Ų2149.5 Ų49.513%0.12729%0.293CS..EExtended strand (participates in β ladder)trans-98.5131.5168.8-177.10000109Y36 M37 L38 L82 I95 L111 Y114V29-Y36 HydrophobicContact CG1-CD1 4.01Å; V29-M37 WeakPolarHBondContact CA-O 3.34Å; V29-L38 HydrophobicContact CG2-CB 4.48Å; V29-L38 HydrophobicContact CG2-CD1 3.49Å; V29-L38 VanDerWaalsContact CG2-CD1 3.49Å; V29-L82 HydrophobicContact CG2-CD1 4.18Å; V29-I95 HydrophobicContact CG2-CD1 3.73Å; V29-L111 HydrophobicContact CG2-CD2 3.84Å; V29-Y114 HydrophobicContact CB-CE1 4.21Å; V29-Y114 HydrophobicContact CB-CE2 3.82Å; V29-Y114 HydrophobicContact CG1-CE1 3.97Å; V29-Y114 HydrophobicContact CG1-CE2 4.32Å; V29-Y114 VanDerWaalsContact CG1-OH 3.3Å; V29-Y114 WeakPolarHBondContact CG1-OH 3.42Å; V29-Y114 HydrophobicContact CG2-CE1 4.33Å; V29-Y114 HydrophobicContact CG2-CE2 4.25Å
30T95.2Very high93.1Very high68 Ų6845.1 Ų45.142%0.41726%0.261SS..EExtended strand (participates in β ladder)trans-118.3150174.251.40000110.1Y36 M37T30-Y36 WeakPolarHBondContact O-CA 3.23Å; T30-M37 PolarHBondContact N-O 2.68Å; T30-M37 PolarHBondContact O-N 3.07Å; T30-M37 PolarHBondContact OG1-O 3.07Å
31L94.1Very high94Very high33 Ų3346 Ų4617%0.17325%0.248CC..EExtended strand (participates in β ladder)trans-114.7124.4177.9178.463.4000110.4G35 Y36 H119 L120 Y142 F145L31-G35 WeakPolarHBondContact CA-O 3.27Å; L31-Y36 HydrophobicContact CB-CD1 4.36Å; L31-Y36 HydrophobicContact CB-CE1 4.29Å; L31-Y36 HydrophobicContact CD1-CD1 4.01Å; L31-Y36 HydrophobicContact CD1-CD2 3.83Å; L31-Y36 HydrophobicContact CD1-CE1 3.92Å; L31-Y36 HydrophobicContact CD1-CE2 3.71Å; L31-Y36 HydrophobicContact CD1-CG 3.97Å; L31-Y36 HydrophobicContact CD2-CE1 4.24Å; L31-Y36 HydrophobicContact CG-CE1 4.37Å; L31-H119 WeakPolarHBondContact CD2-O 3.46Å; L31-L120 HydrophobicContact CD2-CD1 4.08Å; L31-Y142 HydrophobicContact CD2-CD2 4.26Å; L31-Y142 HydrophobicContact CD2-CE2 3.86Å; L31-Y142 HydrophobicContact CG-CD2 4.39Å; L31-Y142 HydrophobicContact CG-CE2 3.82Å; L31-F145 HydrophobicContact CD1-CE2 3.68Å; L31-F145 HydrophobicContact CD1-CZ 3.97Å
32D87.5Confident94.2Very high68 Ų6848.8 Ų48.836%0.36426%0.261SS..EExtended strand (participates in β ladder)trans-137-168.6173.269.426.4000111.8S34 G35D32-S34 PolarHBondContact O-N 2.86Å; D32-S34 VanDerWaalsContact OD1-CA 3.25Å; D32-S34 WeakPolarHBondContact OD1-CA 3.49Å; D32-S34 VanDerWaalsContact OD1-CB 3.24Å; D32-S34 WeakPolarHBondContact OD1-CB 3.45Å; D32-S34 PolarHBondContact OD1-N 2.9Å; D32-S34 PolarHBondContact OD1-OG 3.24Å; D32-G35 PolarHBondContact N-O 3.4Å; D32-G35 WeakPolarHBondContact O-CA 3.43Å; D32-G35 PolarHBondContact O-N 2.92Å; D32-G35 PolarHBondContact OD1-N 2.02Å
33Q84.3Confident94.1Very high166 Ų16647.4 Ų47.478%0.77625%0.253SS*.THydrogen-bonded Turntrans-62.8-27.6178.5-64.1-179.9-5.100113.4G35 Y142Q33-G35 VanDerWaalsContact C-N 3.26Å; Q33-Y142 HydrophobicContact CG-CD1 4.08Å; Q33-Y142 HydrophobicContact CG-CE1 3.82Å
34S85Confident93.8Very high52 Ų5250.2 Ų50.236%0.36428%0.277SS..THydrogen-bonded Turntrans-81.2-5.1173.781.90000113.2D32 N81 R144D32-S34 PolarHBondContact O-N 2.86Å; D32-S34 VanDerWaalsContact OD1-CA 3.25Å; D32-S34 WeakPolarHBondContact OD1-CA 3.49Å; D32-S34 VanDerWaalsContact OD1-CB 3.24Å; D32-S34 WeakPolarHBondContact OD1-CB 3.45Å; D32-S34 PolarHBondContact OD1-N 2.9Å; D32-S34 PolarHBondContact OD1-OG 3.24Å; S34-N81 PolarHBondContact O-ND2 2.78Å; S34-R144 PolarHBondContact O-NH1 3.04Å
35G92.2Very high93.4Very high0 Ų053.6 Ų53.60%031%0.312CS..EExtended strand (participates in β ladder)trans106.3-146.1172.400000113.2L31 D32 Q33 T83L31-G35 WeakPolarHBondContact CA-O 3.27Å; D32-G35 PolarHBondContact N-O 3.4Å; D32-G35 WeakPolarHBondContact O-CA 3.43Å; D32-G35 PolarHBondContact O-N 2.92Å; D32-G35 PolarHBondContact OD1-N 2.02Å; Q33-G35 VanDerWaalsContact C-N 3.26Å; G35-T83 WeakPolarHBondContact CA-OG1 3.37Å
36Y95.3Very high93.1Very high0 Ų050.3 Ų50.30%030%0.296CS..EExtended strand (participates in β ladder)trans-86.8114.1-179.5-68-91.6000110.6V29 T30 L31 N81 L82 T83 F86 L89 Y114 P116 F145V29-Y36 HydrophobicContact CG1-CD1 4.01Å; T30-Y36 WeakPolarHBondContact O-CA 3.23Å; L31-Y36 HydrophobicContact CB-CD1 4.36Å; L31-Y36 HydrophobicContact CB-CE1 4.29Å; L31-Y36 HydrophobicContact CD1-CD1 4.01Å; L31-Y36 HydrophobicContact CD1-CD2 3.83Å; L31-Y36 HydrophobicContact CD1-CE1 3.92Å; L31-Y36 HydrophobicContact CD1-CE2 3.71Å; L31-Y36 HydrophobicContact CD1-CG 3.97Å; L31-Y36 HydrophobicContact CD2-CE1 4.24Å; L31-Y36 HydrophobicContact CG-CE1 4.37Å; Y36-N81 PolarHBondContact O-OD1 2.86Å; Y36-L82 PolarHBondContact O-N 2.97Å; Y36-T83 HydrophobicContact CD2-CG2 4.3Å; Y36-T83 PolarHBondContact N-OG1 2.99Å; Y36-F86 HydrophobicContact CD1-CD2 4.24Å; Y36-F86 AromaticContact CD1-CE2 3.74Å; Y36-F86 HydrophobicContact CD1-CE2 3.74Å; Y36-F86 AromaticContact CD2-CD2 3.89Å; Y36-F86 HydrophobicContact CD2-CD2 3.89Å; Y36-F86 HydrophobicContact CD2-CE2 4.16Å; Y36-F86 HydrophobicContact CE1-CE2 4.47Å; Y36-F86 HydrophobicContact CE2-CD2 4.44Å; Y36-F86 AromaticContact CG-CD2 3.78Å; Y36-F86 HydrophobicContact CG-CD2 3.78Å; Y36-F86 AromaticContact CG-CE2 3.55Å; Y36-F86 HydrophobicContact CG-CE2 3.55Å; Y36-L89 HydrophobicContact CD2-CD2 4.31Å; Y36-L89 HydrophobicContact CE2-CD1 4.08Å; Y36-L89 HydrophobicContact CE2-CD2 3.6Å; Y36-Y114 HydrophobicContact CD1-CE1 4.44Å; Y36-P116 HydrophobicContact CD1-CB 4.43Å; Y36-P116 HydrophobicContact CE1-CB 3.78Å; Y36-P116 WeakPolarHBondContact CE1-O 3.04Å; Y36-P116 HydrophobicContact CE2-CB 4.29Å; Y36-P116 VanDerWaalsContact OH-C 3.23Å; Y36-P116 PolarHBondContact OH-O 3.47Å; Y36-F145 HydrophobicContact CD2-CE1 4.2Å; Y36-F145 AromaticContact CD2-CZ 3.85Å; Y36-F145 HydrophobicContact CD2-CZ 3.85Å; Y36-F145 AromaticContact CE2-CE1 3.84Å; Y36-F145 HydrophobicContact CE2-CE1 3.84Å; Y36-F145 HydrophobicContact CE2-CE2 4.34Å; Y36-F145 AromaticContact CE2-CZ 3.64Å; Y36-F145 HydrophobicContact CE2-CZ 3.64Å
37M96Very high92.9Very high38 Ų3848.3 Ų48.319%0.18729%0.288CS..EExtended strand (participates in β ladder)trans-111.6115.6179.9-162.868.764.600110.2V29 T30 T39 N81V29-M37 WeakPolarHBondContact CA-O 3.34Å; T30-M37 PolarHBondContact N-O 2.68Å; T30-M37 PolarHBondContact O-N 3.07Å; T30-M37 PolarHBondContact OG1-O 3.07Å; M37-T39 HydrophobicContact CG-CG2 4.44Å; M37-N81 HydrophobicContact CE-CB 4.36Å; M37-N81 HydrophobicContact SD-CB 4.23Å
38L97.6Very high92.5Very high0 Ų052.9 Ų52.90%032%0.321CS..EExtended strand (participates in β ladder)trans-78.7135.6168.1-174.873.7000109.4V27 V29 W40 V54 T79 C80 L82 I95 V97V27-L38 HydrophobicContact CG1-CD1 3.67Å; V27-L38 HydrophobicContact CG1-CG 4.49Å; V29-L38 HydrophobicContact CG2-CB 4.48Å; V29-L38 HydrophobicContact CG2-CD1 3.49Å; V29-L38 VanDerWaalsContact CG2-CD1 3.49Å; L38-W40 HydrophobicContact CD2-CE3 4.18Å; L38-W40 HydrophobicContact CD2-CZ3 4.17Å; L38-W40 HydrophobicContact CG-CE3 4.16Å; L38-W40 HydrophobicContact CG-CZ3 4.35Å; L38-V54 HydrophobicContact CD2-CB 4.4Å; L38-V54 HydrophobicContact CD2-CG1 3.47Å; L38-V54 VanDerWaalsContact CD2-CG1 3.47Å; L38-V54 HydrophobicContact CD2-CG2 3.98Å; L38-T79 CarbonylContact O-C 3.59Å; L38-T79 VanDerWaalsContact O-CA 3.24Å; L38-T79 WeakPolarHBondContact O-CA 3.47Å; L38-C80 HydrophobicContact CB-CB 4.23Å; L38-C80 WeakPolarHBondContact CB-O 3.43Å; L38-C80 HydrophobicContact CD2-CB 4.44Å; L38-C80 PolarHBondContact N-O 2.89Å; L38-C80 PolarHBondContact O-N 2.83Å; L38-L82 HydrophobicContact CB-CD1 3.83Å; L38-L82 HydrophobicContact CB-CG 4Å; L38-L82 HydrophobicContact CD1-CD1 4.32Å; L38-L82 HydrophobicContact CD2-CD1 4.35Å; L38-L82 HydrophobicContact CG-CD1 4.4Å; L38-I95 HydrophobicContact CD1-CG2 4.06Å; L38-I95 HydrophobicContact CD2-CG2 3.83Å; L38-V97 HydrophobicContact CD2-CG2 3.83Å
39T97.5Very high92.2Very high33 Ų3350.8 Ų50.820%0.20233%0.325CS..EExtended strand (participates in β ladder)trans-131.6147.9175.866.40000109.9V27 K28 M37 T79V27-T39 WeakPolarHBondContact CA-O 3.42Å; K28-T39 WeakPolarHBondContact CG-OG1 3.29Å; K28-T39 PolarHBondContact N-O 3.22Å; K28-T39 PolarHBondContact O-N 2.91Å; K28-T39 PolarHBondContact O-OG1 2.73Å; M37-T39 HydrophobicContact CG-CG2 4.44Å; T39-T79 HydrophobicContact CG2-CG2 4.14Å
40W97.3Very high92.1Very high8 Ų850.2 Ų50.23%0.0332%0.322CS..EExtended strand (participates in β ladder)trans-151.6164.71766594.8000111.4V27 L38 F52 V54 V74 L78 C80 V97V27-W40 HydrophobicContact CG2-CB 4.01Å; L38-W40 HydrophobicContact CD2-CE3 4.18Å; L38-W40 HydrophobicContact CD2-CZ3 4.17Å; L38-W40 HydrophobicContact CG-CE3 4.16Å; L38-W40 HydrophobicContact CG-CZ3 4.35Å; W40-F52 AromaticContact CD1-CD1 3.99Å; W40-F52 HydrophobicContact CZ2-CB 3.74Å; W40-F52 HydrophobicContact CZ2-CG 4.19Å; W40-F52 AromaticContact NE1-CD1 3.36Å; W40-F52 AromaticContact NE1-CD2 3.76Å; W40-F52 AromaticContact NE1-CE1 3.84Å; W40-F52 AromaticContact NE1-CG 3.32Å; W40-F52 VanDerWaalsContact NE1-CG 3.32Å; W40-V54 HydrophobicContact CH2-CG2 3.95Å; W40-V54 HydrophobicContact CZ3-CG2 3.99Å; W40-V74 HydrophobicContact CH2-CB 4.13Å; W40-V74 HydrophobicContact CH2-CG1 3.87Å; W40-V74 HydrophobicContact CH2-CG2 4.2Å; W40-V74 HydrophobicContact CZ2-CB 3.99Å; W40-V74 HydrophobicContact CZ2-CG1 3.79Å; W40-L78 HydrophobicContact CD2-CB 4.27Å; W40-L78 HydrophobicContact CG-CB 4.49Å; W40-L78 HydrophobicContact CZ2-CB 4.22Å; W40-L78 HydrophobicContact CZ2-CD2 4.22Å; W40-L78 PolarHBondContact N-O 2.87Å; W40-L78 WeakPolarHBondContact O-CB 3.28Å; W40-C80 HydrophobicContact CH2-CB 4.12Å; W40-C80 HydrophobicContact CZ3-CB 3.82Å; W40-V97 HydrophobicContact CD2-CG1 3.95Å; W40-V97 HydrophobicContact CE3-CG2 4.44Å; W40-V97 HydrophobicContact CG-CG1 4.07Å
41E96.7Very high92.2Very high81 Ų8148.8 Ų48.838%0.37931%0.309SS..EExtended strand (participates in β ladder)trans-114.6153.4179.4-70.1161.3-142.500110.2L25 N26 K28L25-E41 PolarHBondContact N-O 3.5Å; L25-E41 PolarHBondContact O-N 2.97Å; N26-E41 HydrophobicContact CB-CB 4.38Å; N26-E41 HydrophobicContact CB-CG 4.3Å; N26-E41 PolarHBondContact ND2-OE2 2.9Å; K28-E41 WeakPolarHBondContact CE-OE1 3.5Å; K28-E41 IonicContact NZ-OE1 2.59Å; K28-E41 PolarHBondContact NZ-OE1 3.3Å
42Q94.7Very high92.4Very high77 Ų7747.2 Ų47.236%0.3630%0.301SS..PPolyproline II helixtrans-75.9144.9177.5-50.5-166.6-16.200109.9T46 F52 L78Q42-T46 HydrophobicContact CB-CG2 4.45Å; Q42-F52 HydrophobicContact CB-CZ 4.4Å; Q42-F52 HydrophobicContact CG-CE2 4.28Å; Q42-F52 HydrophobicContact CG-CZ 3.88Å; Q42-L78 HydrophobicContact CG-CD1 3.43Å; Q42-L78 VanDerWaalsContact CG-CD1 3.43Å
43G90.3Very high92.8Very high7 Ų744.2 Ų44.27%0.07229%0.285CS..PPolyproline II helixtrans-63.3150.6170.700000111.4A23 G45 T46A23-G43 WeakPolarHBondContact O-CA 3.45Å; G43-G45 PolarHBondContact O-N 2.95Å; G43-T46 PolarHBondContact N-OG1 2.72Å; G43-T46 WeakPolarHBondContact O-CB 3.24Å; G43-T46 PolarHBondContact O-N 2.85Å; G43-T46 VanDerWaalsContact O-N 3.09Å; G43-T46 PolarHBondContact O-OG1 3.34Å
44A89Confident93.5Very high96 Ų9636.3 Ų36.379%0.79325%0.248SC*.THydrogen-bonded Turntrans-59131.2174.300000110.1P22P22-A44 WeakPolarHBondContact CG-O 3.45Å
45G86.5Confident94Very high74 Ų7435.4 Ų35.476%0.76324%0.238SC*.THydrogen-bonded Turntrans78.810.2-176.500000115.4G43 P47G43-G45 PolarHBondContact O-N 2.95Å; G45-P47 WeakPolarHBondContact O-CD 3.25Å
46T90.5Very high94.2Very high21 Ų2135.8 Ų35.813%0.12924%0.24CC..PPolyproline II helixtrans-58.5122.4173.5-67.10000110.9Q42 G43 T50Q42-T46 HydrophobicContact CB-CG2 4.45Å; G43-T46 PolarHBondContact N-OG1 2.72Å; G43-T46 WeakPolarHBondContact O-CB 3.24Å; G43-T46 PolarHBondContact O-N 2.85Å; G43-T46 VanDerWaalsContact O-N 3.09Å; G43-T46 PolarHBondContact O-OG1 3.34Å; T46-T50 HydrophobicContact CG2-CG2 3.76Å; T46-T50 WeakPolarHBondContact CG2-OG1 3.42Å
47P90.9Very high94Very high53 Ų5335.9 Ų35.934%0.34424%0.241SC..PPolyproline II helixtrans-70.2153.2-178.926.4-34.7000113.1L21 G45 T50 L101L21-P47 HydrophobicContact CD1-CG 3.8Å; G45-P47 WeakPolarHBondContact O-CD 3.25Å; P47-T50 WeakPolarHBondContact O-CB 3.33Å; P47-T50 PolarHBondContact O-N 3.22Å; P47-T50 PolarHBondContact O-OG1 3.02Å; P47-L101 HydrophobicContact CB-CD2 4.17Å; P47-L101 HydrophobicContact CG-CD2 3.61Å
48S89Confident93.8Very high124 Ų12434.9 Ų34.987%0.86724%0.238SC*.THydrogen-bonded Turntrans-63.3146174-710000111.7T50S48-T50 VanDerWaalsContact C-N 3.29Å
49G90.4Very high93Very high47 Ų4739.7 Ų39.749%0.48526%0.26SS..THydrogen-bonded Turntrans86.8-9.7-174.500000114.7Y51 Q75G49-Y51 PolarHBondContact O-N 2.85Å; G49-Q75 PolarHBondContact O-NE2 3.01Å
50T95Very high91.9Very high8 Ų843.4 Ų43.45%0.04928%0.279CS..  trans-56.6136170.5-58.70000110.6L21 T46 P47 S48 F52 A99 H100L21-T50 HydrophobicContact CD1-CG2 4.35Å; L21-T50 HydrophobicContact CD2-CG2 4.3Å; T46-T50 HydrophobicContact CG2-CG2 3.76Å; T46-T50 WeakPolarHBondContact CG2-OG1 3.42Å; P47-T50 WeakPolarHBondContact O-CB 3.33Å; P47-T50 PolarHBondContact O-N 3.22Å; P47-T50 PolarHBondContact O-OG1 3.02Å; S48-T50 VanDerWaalsContact C-N 3.29Å; T50-F52 HydrophobicContact CG2-CE2 4.28Å; T50-F52 HydrophobicContact CG2-CZ 4.14Å; T50-A99 HydrophobicContact CG2-CB 3.91Å; T50-H100 WeakPolarHBondContact CA-O 3.24Å
51Y96.6Very high90.8Very high39 Ų3944.7 Ų44.715%0.15329%0.289CS..EExtended strand (participates in β ladder)trans-119.7164.6169.968.5-88.1000110.5G49 R73 V74 A99 H100G49-Y51 PolarHBondContact O-N 2.85Å; Y51-R73 HydrophobicContact CD1-CG 4.22Å; Y51-R73 VanDerWaalsContact CD1-CZ 3.48Å; Y51-R73 HydrophobicContact CD2-CB 4.18Å; Y51-R73 HydrophobicContact CD2-CG 3.46Å; Y51-R73 VanDerWaalsContact CD2-CG 3.46Å; Y51-R73 HydrophobicContact CE2-CG 3.95Å; Y51-R73 HydrophobicContact CG-CG 3.57Å; Y51-R73 PolarHBondContact OH-NH1 3.45Å; Y51-V74 CarbonylContact C-O 3.6Å; Y51-V74 VanDerWaalsContact CA-O 3.29Å; Y51-V74 WeakPolarHBondContact CA-O 3.42Å; Y51-A99 CarbonylContact O-C 3.53Å; Y51-A99 WeakPolarHBondContact O-CA 3.33Å; Y51-H100 HydrophobicContact CD1-CB 3.99Å; Y51-H100 WeakPolarHBondContact CD1-O 3.42Å; Y51-H100 HydrophobicContact CD2-CB 3.94Å; Y51-H100 AromaticContact CD2-CD2 3.99Å; Y51-H100 HydrophobicContact CE1-CB 3.5Å; Y51-H100 HydrophobicContact CE2-CB 3.49Å; Y51-H100 VanDerWaalsContact CE2-CB 3.49Å; Y51-H100 AromaticContact CE2-CD2 3.58Å; Y51-H100 AromaticContact CE2-CG 3.7Å; Y51-H100 HydrophobicContact CG-CB 4.21Å; Y51-H100 AromaticContact CZ-CG 3.84Å; Y51-H100 PolarHBondContact N-O 2.89Å; Y51-H100 PolarHBondContact O-N 2.86Å
52F97.4Very high89.6Confident0 Ų048.2 Ų48.20%031%0.311CS..EExtended strand (participates in β ladder)trans-121.7143.8-177.3-59.3-93.2000110.1P24 W40 Q42 T50 V74 L78 V97 K98 A99P24-F52 HydrophobicContact CB-CE1 4.37Å; P24-F52 HydrophobicContact CG-CD1 3.96Å; P24-F52 HydrophobicContact CG-CE1 4Å; W40-F52 AromaticContact CD1-CD1 3.99Å; W40-F52 HydrophobicContact CZ2-CB 3.74Å; W40-F52 HydrophobicContact CZ2-CG 4.19Å; W40-F52 AromaticContact NE1-CD1 3.36Å; W40-F52 AromaticContact NE1-CD2 3.76Å; W40-F52 AromaticContact NE1-CE1 3.84Å; W40-F52 AromaticContact NE1-CG 3.32Å; W40-F52 VanDerWaalsContact NE1-CG 3.32Å; Q42-F52 HydrophobicContact CB-CZ 4.4Å; Q42-F52 HydrophobicContact CG-CE2 4.28Å; Q42-F52 HydrophobicContact CG-CZ 3.88Å; T50-F52 HydrophobicContact CG2-CE2 4.28Å; T50-F52 HydrophobicContact CG2-CZ 4.14Å; F52-V74 PolarHBondContact N-O 3.41Å; F52-V74 PolarHBondContact O-N 3.46Å; F52-L78 HydrophobicContact CD2-CD2 3.58Å; F52-L78 HydrophobicContact CE2-CD2 3.58Å; F52-L78 HydrophobicContact CG-CD2 4.47Å; F52-L78 HydrophobicContact CZ-CD2 4.44Å; F52-V97 HydrophobicContact CB-CG1 4.33Å; F52-V97 HydrophobicContact CD1-CG1 4.28Å; F52-K98 CarbonylContact C-O 3.43Å; F52-K98 VanDerWaalsContact CA-O 3.24Å; F52-K98 WeakPolarHBondContact CA-O 3.43Å; F52-A99 HydrophobicContact CD1-CB 3.81Å; F52-A99 HydrophobicContact CE1-CB 3.58Å; F52-A99 HydrophobicContact CZ-CB 4.37Å
53S97.2Very high88.7Confident5 Ų550.2 Ų50.24%0.03532%0.32CS..EExtended strand (participates in β ladder)trans-117.9141.1169.768.80000109.9H55 C71 V97 K98 H100S53-H55 PolarHBondContact OG-CE1 2.59Å; S53-H55 VanDerWaalsContact OG-CE1 3.22Å; S53-C71 WeakPolarHBondContact CA-O 3.13Å; S53-V97 WeakPolarHBondContact O-CA 3.48Å; S53-K98 PolarHBondContact N-O 3.15Å; S53-K98 PolarHBondContact O-N 3.05Å; S53-H100 PolarHBondContact OG-NE2 2.61Å
54V98.1Very high88.5Confident0 Ų056.3 Ų56.30%035%0.347CS..EExtended strand (participates in β ladder)trans-111129.2177.2-176.10000109L38 W40 V68 C71 C80 L82 I95 E96 V97L38-V54 HydrophobicContact CD2-CB 4.4Å; L38-V54 HydrophobicContact CD2-CG1 3.47Å; L38-V54 VanDerWaalsContact CD2-CG1 3.47Å; L38-V54 HydrophobicContact CD2-CG2 3.98Å; W40-V54 HydrophobicContact CH2-CG2 3.95Å; W40-V54 HydrophobicContact CZ3-CG2 3.99Å; V54-V68 HydrophobicContact CB-CB 4.33Å; V54-V68 HydrophobicContact CB-CG2 4.29Å; V54-V68 HydrophobicContact CG1-CB 4.43Å; V54-V68 HydrophobicContact CG1-CG2 3.92Å; V54-V68 WeakPolarHBondContact O-CB 3.14Å; V54-V68 WeakPolarHBondContact O-CG2 3.44Å; V54-V68 PolarHBondContact O-N 3.37Å; V54-C71 HydrophobicContact CB-CB 3.88Å; V54-C71 HydrophobicContact CG2-CB 3.96Å; V54-C71 PolarHBondContact N-O 2.97Å; V54-C80 HydrophobicContact CG2-CB 3.91Å; V54-L82 HydrophobicContact CG1-CD2 4.2Å; V54-I95 HydrophobicContact CG1-CG2 4.25Å; V54-E96 WeakPolarHBondContact CA-O 3.46Å; V54-V97 HydrophobicContact CG2-CG2 4.41Å
55H96.3Very high88.6Confident33 Ų3355.3 Ų55.315%0.15333%0.327CS..EExtended strand (participates in β ladder)trans-121.4149.4175.8-60.272.7000110.1S53 L65 I66 I95 E96S53-H55 PolarHBondContact OG-CE1 2.59Å; S53-H55 VanDerWaalsContact OG-CE1 3.22Å; H55-L65 HydrophobicContact CB-CD2 3.94Å; H55-I66 CarbonylContact C-O 3.56Å; H55-I66 VanDerWaalsContact CA-O 3.23Å; H55-I66 WeakPolarHBondContact CA-O 3.36Å; H55-I95 WeakPolarHBondContact O-CA 3.47Å; H55-E96 HydrophobicContact CB-CB 4.42Å; H55-E96 PolarHBondContact N-O 3.31Å; H55-E96 PolarHBondContact O-N 2.92Å
56T95.4Very high88.9Confident7 Ų756 Ų564%0.04331%0.313CS..EExtended strand (participates in β ladder)trans-134137.1176510000110.2I66 V68 L82 T85 N94 I95T56-I66 PolarHBondContact N-O 2.85Å; T56-I66 PolarHBondContact O-N 2.65Å; T56-V68 HydrophobicContact CG2-CG2 3.7Å; T56-L82 HydrophobicContact CG2-CD2 4.3Å; T56-T85 HydrophobicContact CG2-CG2 3.95Å; T56-T85 VanDerWaalsContact OG1-CG2 3.27Å; T56-T85 WeakPolarHBondContact OG1-CG2 3.49Å; T56-N94 CarbonylContact C-O 3.55Å; T56-N94 WeakPolarHBondContact CA-O 3.44Å; T56-I95 HydrophobicContact CG2-CG1 4.17Å
57A92.7Very high89.1Confident3 Ų358.8 Ų58.83%0.02533%0.326CS..EExtended strand (participates in β ladder)trans-120.1127.6166.700000108.8Q64 L65 F93 N94A57-Q64 WeakPolarHBondContact CA-O 3.47Å; A57-Q64 WeakPolarHBondContact CB-O 3.47Å; A57-L65 HydrophobicContact CB-CD2 4.13Å; A57-L65 HydrophobicContact CB-CG 4.36Å; A57-F93 WeakPolarHBondContact O-CA 3.36Å; A57-N94 PolarHBondContact N-O 3.26Å; A57-N94 PolarHBondContact O-N 3.31Å
58S90.2Very high89.4Confident16 Ų1656.3 Ų56.311%0.11231%0.31CS..EExtended strand (participates in β ladder)trans-79.5147.5167.2-178.40000108.9N60 S61S58-N60 PolarHBondContact O-N 3.45Å; S58-N60 PolarHBondContact OG-N 3.34Å; S58-S61 PolarHBondContact N-OG 3.09Å; S58-S61 PolarHBondContact O-N 3.45Å; S58-S61 VanDerWaalsContact O-N 3.16Å; S58-S61 PolarHBondContact O-OG 3.07Å
59Q81.4Confident89.6Confident101 Ų10154.7 Ų54.747%0.47230%0.299SS..THydrogen-bonded Turntrans-58.3-34.8171.8-167.3172.131.600111.6S61 I92Q59-S61 VanDerWaalsContact C-N 3.35Å; Q59-S61 PolarHBondContact O-N 3.37Å; Q59-I92 HydrophobicContact CB-CB 4.38Å; Q59-I92 PolarHBondContact N-O 2.72Å
60N73.4Confident89.7Confident112 Ų11255.6 Ų55.660%0.59931%0.308SS*.THydrogen-bonded Turntrans-78.3-13.8179.8-73-5.4000113.8S58 N62 H91S58-N60 PolarHBondContact O-N 3.45Å; S58-N60 PolarHBondContact OG-N 3.34Å; N60-N62 VanDerWaalsContact C-N 3.3Å; N60-N62 PolarHBondContact O-N 2.76Å; N60-H91 PolarHBondContact ND2-CD2 3.31Å; N60-H91 PolarHBondContact ND2-NE2 3.32Å
61S74.4Confident89.8Confident35 Ų3555.6 Ų55.625%0.24531%0.308CS..THydrogen-bonded Turntrans-93.835.7-179.168.10000112.9S58 Q59 H63 Q64S58-S61 PolarHBondContact N-OG 3.09Å; S58-S61 PolarHBondContact O-N 3.45Å; S58-S61 VanDerWaalsContact O-N 3.16Å; S58-S61 PolarHBondContact O-OG 3.07Å; Q59-S61 VanDerWaalsContact C-N 3.35Å; Q59-S61 PolarHBondContact O-N 3.37Å; S61-H63 PolarHBondContact O-N 3.44Å; S61-Q64 VanDerWaalsContact O-CB 3.29Å; S61-Q64 WeakPolarHBondContact O-CB 3.25Å; S61-Q64 PolarHBondContact O-N 2.82Å
62N73.1Confident89.8Confident155 Ų15558 Ų5883%0.82932%0.321SS*.THydrogen-bonded Turntrans48.334.9-176.8-68.7-33.7000113.9N60 Q64N60-N62 VanDerWaalsContact C-N 3.3Å; N60-N62 PolarHBondContact O-N 2.76Å; N62-Q64 PolarHBondContact O-N 3.31Å; N62-Q64 VanDerWaalsContact O-N 3.15Å
63H74.4Confident89.7Confident119 Ų11965.4 Ų65.455%0.55135%0.349SS*.THydrogen-bonded Turntrans58.117.3-174.4-60.180000115.6S61 L65S61-H63 PolarHBondContact O-N 3.44Å; H63-L65 PolarHBondContact O-N 3.35Å
64Q87.1Confident89.7Confident135 Ų13566 Ų6663%0.63135%0.353SS*.  trans-62.2121.2174.7-170.617626.700110.5A57 S61 N62 I66A57-Q64 WeakPolarHBondContact CA-O 3.47Å; A57-Q64 WeakPolarHBondContact CB-O 3.47Å; S61-Q64 VanDerWaalsContact O-CB 3.29Å; S61-Q64 WeakPolarHBondContact O-CB 3.25Å; S61-Q64 PolarHBondContact O-N 2.82Å; N62-Q64 PolarHBondContact O-N 3.31Å; N62-Q64 VanDerWaalsContact O-N 3.15Å; Q64-I66 PolarHBondContact O-N 2.92Å
65L90.8Very high89.5Confident74 Ų7470.4 Ų70.439%0.38737%0.373SS..  trans-77.3109.6174.9-79.9161.7000110.1H55 A57 H63 E96H55-L65 HydrophobicContact CB-CD2 3.94Å; A57-L65 HydrophobicContact CB-CD2 4.13Å; A57-L65 HydrophobicContact CB-CG 4.36Å; H63-L65 PolarHBondContact O-N 3.35Å; L65-E96 HydrophobicContact CD2-CG 4Å
66I92.6Very high89.3Confident89 Ų8977.4 Ų77.446%0.45640%0.403SS..EExtended strand (participates in β ladder)trans-96.7133177-58.1173.1000108.6H55 T56 Q64H55-I66 CarbonylContact C-O 3.56Å; H55-I66 VanDerWaalsContact CA-O 3.23Å; H55-I66 WeakPolarHBondContact CA-O 3.36Å; T56-I66 PolarHBondContact N-O 2.85Å; T56-I66 PolarHBondContact O-N 2.65Å; Q64-I66 PolarHBondContact O-N 2.92Å
67L95.4Very high89.3Confident79 Ų7981.5 Ų81.541%0.41443%0.43SS..EExtended strand (participates in β ladder)trans-76.5126.1175.4-178.469.8000110Q72L67-Q72 HydrophobicContact CD1-CG 4.39Å; L67-Q72 HydrophobicContact CD2-CB 3.95Å; L67-Q72 HydrophobicContact CD2-CG 3.47Å; L67-Q72 VanDerWaalsContact CD2-CG 3.47Å; L67-Q72 HydrophobicContact CG-CB 4.38Å; L67-Q72 HydrophobicContact CG-CG 3.76Å
68V96.4Very high89.5Confident2 Ų282.9 Ų82.91%0.01244%0.437CS..PPolyproline II helixtrans-71.2130.9-173.7178.60000111.6V54 T56 G70 C71 L82 T85V54-V68 HydrophobicContact CB-CB 4.33Å; V54-V68 HydrophobicContact CB-CG2 4.29Å; V54-V68 HydrophobicContact CG1-CB 4.43Å; V54-V68 HydrophobicContact CG1-CG2 3.92Å; V54-V68 WeakPolarHBondContact O-CB 3.14Å; V54-V68 WeakPolarHBondContact O-CG2 3.44Å; V54-V68 PolarHBondContact O-N 3.37Å; T56-V68 HydrophobicContact CG2-CG2 3.7Å; V68-G70 PolarHBondContact O-N 2.78Å; V68-C71 HydrophobicContact CB-CB 4.04Å; V68-C71 HydrophobicContact CG1-CB 4.03Å; V68-C71 PolarHBondContact O-N 2.9Å; V68-C71 VanDerWaalsContact O-N 3.1Å; V68-L82 HydrophobicContact CG1-CD2 4.06Å; V68-L82 HydrophobicContact CG2-CD2 4.03Å; V68-T85 HydrophobicContact CG2-CG2 4.03Å
69S93.5Very high89.8Confident90 Ų9084.7 Ų84.763%0.62945%0.447SS*.THydrogen-bonded Turntrans-62.2126.9176.944.10000111.5C71S69-C71 PolarHBondContact O-N 3.25Å
70G93Very high90.5Very high66 Ų6680 Ų8068%0.6843%0.426SS*.THydrogen-bonded Turntrans83.6-10.8-17600000114.5V68 Q72V68-G70 PolarHBondContact O-N 2.78Å; G70-Q72 VanDerWaalsContact CA-OE1 3.32Å
71C96.9Very high91.5Very high7 Ų777.7 Ų77.75%0.04741%0.413CS..  trans-116.126.8-178.2-52.80000113.4S53 V54 V68 S69 V74 C80S53-C71 WeakPolarHBondContact CA-O 3.13Å; V54-C71 HydrophobicContact CB-CB 3.88Å; V54-C71 HydrophobicContact CG2-CB 3.96Å; V54-C71 PolarHBondContact N-O 2.97Å; V68-C71 HydrophobicContact CB-CB 4.04Å; V68-C71 HydrophobicContact CG1-CB 4.03Å; V68-C71 PolarHBondContact O-N 2.9Å; V68-C71 VanDerWaalsContact O-N 3.1Å; S69-C71 PolarHBondContact O-N 3.25Å; C71-V74 HydrophobicContact CB-CG2 4.08Å; C71-C80 HydrophobicContact CB-CB 3.86Å; C71-C80 WeakPolarHBondContact CB-SG 3.46Å; C71-C80 VanDerWaalsContact SG-CA 3.54Å; C71-C80 WeakPolarHBondContact SG-CB 3.1Å; C71-C80 CovalentContact SG-SG 2.02Å; C71-C80 PolarHBondContact SG-SG 2.88Å
72Q96.1Very high92.6Very high89 Ų8976 Ų7642%0.41640%0.401SS..SBendtrans-77.4-29.7-178.9-53.694.8-22.500113.5L67 G70L67-Q72 HydrophobicContact CD1-CG 4.39Å; L67-Q72 HydrophobicContact CD2-CB 3.95Å; L67-Q72 HydrophobicContact CD2-CG 3.47Å; L67-Q72 VanDerWaalsContact CD2-CG 3.47Å; L67-Q72 HydrophobicContact CG-CB 4.38Å; L67-Q72 HydrophobicContact CG-CG 3.76Å; G70-Q72 VanDerWaalsContact CA-OE1 3.32Å
73R96Very high93.5Very high156 Ų15669.1 Ų69.159%0.58937%0.365SS*.SBendtrans-145.153.3-173.3-156.7-172.7-179.382.73.2112.9Y51Y51-R73 HydrophobicContact CD1-CG 4.22Å; Y51-R73 VanDerWaalsContact CD1-CZ 3.48Å; Y51-R73 HydrophobicContact CD2-CB 4.18Å; Y51-R73 HydrophobicContact CD2-CG 3.46Å; Y51-R73 VanDerWaalsContact CD2-CG 3.46Å; Y51-R73 HydrophobicContact CE2-CG 3.95Å; Y51-R73 HydrophobicContact CG-CG 3.57Å; Y51-R73 PolarHBondContact OH-NH1 3.45Å
74V96.4Very high94.3Very high19 Ų1970.2 Ų70.212%0.11537%0.37CS..BIsolated β-bridgetrans-73.2135.6-177.9-1740000110.6W40 Y51 F52 C71 P77W40-V74 HydrophobicContact CH2-CB 4.13Å; W40-V74 HydrophobicContact CH2-CG1 3.87Å; W40-V74 HydrophobicContact CH2-CG2 4.2Å; W40-V74 HydrophobicContact CZ2-CB 3.99Å; W40-V74 HydrophobicContact CZ2-CG1 3.79Å; Y51-V74 CarbonylContact C-O 3.6Å; Y51-V74 VanDerWaalsContact CA-O 3.29Å; Y51-V74 WeakPolarHBondContact CA-O 3.42Å; F52-V74 PolarHBondContact N-O 3.41Å; F52-V74 PolarHBondContact O-N 3.46Å; C71-V74 HydrophobicContact CB-CG2 4.08Å; V74-P77 WeakPolarHBondContact CG1-O 3.49Å
75Q94.3Very high94.5Very high91 Ų9165.4 Ų65.443%0.42535%0.35SS..  trans-122.5-55.6174.8-72.9-172.1-22.600112.5G49 L78G49-Q75 PolarHBondContact O-NE2 3.01Å; Q75-L78 WeakPolarHBondContact O-CD2 3.35Å
76K92.8Very high94.5Very high180 Ų18062.3 Ų62.378%0.78333%0.333SS*.SBendtrans-151.2144169.6-65.7-172.2-179.6179.10108.9
77P94.4Very high94.1Very high93 Ų9360.8 Ų60.860%0.60434%0.34SS*.SBendcis-63.4160.2-13.629.3-35.3000112.1V74 T79V74-P77 WeakPolarHBondContact CG1-O 3.49Å; P77-T79 HydrophobicContact CB-CG2 4.25Å; P77-T79 WeakPolarHBondContact CG-OG1 3.47Å; P77-T79 PolarHBondContact O-N 3.05Å
78L96.2Very high93.6Very high33 Ų3359.3 Ų59.317%0.17333%0.332CS..  trans-86.162.5-179.9-61.5176000110.6W40 Q42 F52 Q75W40-L78 HydrophobicContact CD2-CB 4.27Å; W40-L78 HydrophobicContact CG-CB 4.49Å; W40-L78 HydrophobicContact CZ2-CB 4.22Å; W40-L78 HydrophobicContact CZ2-CD2 4.22Å; W40-L78 PolarHBondContact N-O 2.87Å; W40-L78 WeakPolarHBondContact O-CB 3.28Å; Q42-L78 HydrophobicContact CG-CD1 3.43Å; Q42-L78 VanDerWaalsContact CG-CD1 3.43Å; F52-L78 HydrophobicContact CD2-CD2 3.58Å; F52-L78 HydrophobicContact CE2-CD2 3.58Å; F52-L78 HydrophobicContact CG-CD2 4.47Å; F52-L78 HydrophobicContact CZ-CD2 4.44Å; Q75-L78 WeakPolarHBondContact O-CD2 3.35Å
79T96.5Very high93.3Very high54 Ų5459.3 Ų59.333%0.33133%0.332SS..EExtended strand (participates in β ladder)trans-137.8145.1-172.957.80000110.3L38 T39 P77L38-T79 CarbonylContact O-C 3.59Å; L38-T79 VanDerWaalsContact O-CA 3.24Å; L38-T79 WeakPolarHBondContact O-CA 3.47Å; T39-T79 HydrophobicContact CG2-CG2 4.14Å; P77-T79 HydrophobicContact CB-CG2 4.25Å; P77-T79 WeakPolarHBondContact CG-OG1 3.47Å; P77-T79 PolarHBondContact O-N 3.05Å
80C96.8Very high92.9Very high3 Ų357.1 Ų57.12%0.0231%0.313CS..EExtended strand (participates in β ladder)trans-140131.3176.21740000109.8L38 W40 V54 C71L38-C80 HydrophobicContact CB-CB 4.23Å; L38-C80 WeakPolarHBondContact CB-O 3.43Å; L38-C80 HydrophobicContact CD2-CB 4.44Å; L38-C80 PolarHBondContact N-O 2.89Å; L38-C80 PolarHBondContact O-N 2.83Å; W40-C80 HydrophobicContact CH2-CB 4.12Å; W40-C80 HydrophobicContact CZ3-CB 3.82Å; V54-C80 HydrophobicContact CG2-CB 3.91Å; C71-C80 HydrophobicContact CB-CB 3.86Å; C71-C80 WeakPolarHBondContact CB-SG 3.46Å; C71-C80 VanDerWaalsContact SG-CA 3.54Å; C71-C80 WeakPolarHBondContact SG-CB 3.1Å; C71-C80 CovalentContact SG-SG 2.02Å; C71-C80 PolarHBondContact SG-SG 2.88Å
81N95.5Very high92.7Very high63 Ų6357 Ų5734%0.33730%0.295SS..EExtended strand (participates in β ladder)trans-83.9121.6175.3-166.8-37.9000109.1S34 Y36 M37 T83S34-N81 PolarHBondContact O-ND2 2.78Å; Y36-N81 PolarHBondContact O-OD1 2.86Å; M37-N81 HydrophobicContact CE-CB 4.36Å; M37-N81 HydrophobicContact SD-CB 4.23Å; N81-T83 VanDerWaalsContact OD1-CB 3.25Å; N81-T83 WeakPolarHBondContact OD1-CB 3.34Å; N81-T83 PolarHBondContact OD1-N 2.73Å; N81-T83 PolarHBondContact OD1-OG1 3.38Å
82L95.5Very high92.4Very high0 Ų059.2 Ų59.20%031%0.305CS..  trans-103.63.5-179.7-61.4-175000113.2V29 Y36 L38 V54 T56 V68 E84 T85 F86 I95V29-L82 HydrophobicContact CG2-CD1 4.18Å; Y36-L82 PolarHBondContact O-N 2.97Å; L38-L82 HydrophobicContact CB-CD1 3.83Å; L38-L82 HydrophobicContact CB-CG 4Å; L38-L82 HydrophobicContact CD1-CD1 4.32Å; L38-L82 HydrophobicContact CD2-CD1 4.35Å; L38-L82 HydrophobicContact CG-CD1 4.4Å; V54-L82 HydrophobicContact CG1-CD2 4.2Å; T56-L82 HydrophobicContact CG2-CD2 4.3Å; V68-L82 HydrophobicContact CG1-CD2 4.06Å; V68-L82 HydrophobicContact CG2-CD2 4.03Å; L82-E84 PolarHBondContact O-N 3.11Å; L82-T85 WeakPolarHBondContact O-CA 3.29Å; L82-T85 VanDerWaalsContact O-CB 3.28Å; L82-T85 WeakPolarHBondContact O-CB 3.42Å; L82-T85 PolarHBondContact O-N 3.19Å; L82-F86 HydrophobicContact CB-CD2 4.38Å; L82-F86 HydrophobicContact CB-CE1 4.12Å; L82-F86 HydrophobicContact CB-CE2 3.87Å; L82-F86 HydrophobicContact CB-CZ 3.72Å; L82-F86 HydrophobicContact CD1-CE1 4.12Å; L82-F86 HydrophobicContact CD1-CZ 3.69Å; L82-F86 HydrophobicContact CG-CZ 4.38Å; L82-F86 WeakPolarHBondContact O-CG 3.47Å; L82-F86 PolarHBondContact O-N 2.85Å; L82-I95 HydrophobicContact CD1-CD1 3.76Å; L82-I95 HydrophobicContact CD1-CG1 4.29Å; L82-I95 HydrophobicContact CD1-CG2 4.4Å
83T92.8Very high92.2Very high9 Ų955.4 Ų55.46%0.05529%0.288CS..Hα-helixtrans-61.7-49.8-169.1-46.20000112.5G35 Y36 N81 T85 F86 R144 F145G35-T83 WeakPolarHBondContact CA-OG1 3.37Å; Y36-T83 HydrophobicContact CD2-CG2 4.3Å; Y36-T83 PolarHBondContact N-OG1 2.99Å; N81-T83 VanDerWaalsContact OD1-CB 3.25Å; N81-T83 WeakPolarHBondContact OD1-CB 3.34Å; N81-T83 PolarHBondContact OD1-N 2.73Å; N81-T83 PolarHBondContact OD1-OG1 3.38Å; T83-T85 PolarHBondContact O-N 2.66Å; T83-F86 PolarHBondContact O-N 2.96Å; T83-R144 VanDerWaalsContact CG2-CZ 3.44Å; T83-F145 HydrophobicContact CG2-CE1 3.6Å; T83-F145 HydrophobicContact CG2-CZ 3.77Å
84E90.7Very high92.2Very high142 Ų14250.2 Ų50.266%0.66427%0.272SS*.Hα-helixtrans-71.2-22.5176.7-46.1-49.4133.500111.9L82 R144L82-E84 PolarHBondContact O-N 3.11Å; E84-R144 IonicContact OE1-CZ 2.72Å; E84-R144 IonicContact OE1-NH2 3.58Å; E84-R144 PolarHBondContact OE1-NH2 3.48Å
85T91.4Very high92.1Very high35 Ų3549.4 Ų49.422%0.21527%0.267CS..Hα-helixtrans-72.9-34178.5-45.30000112.3T56 V68 L82 T83T56-T85 HydrophobicContact CG2-CG2 3.95Å; T56-T85 VanDerWaalsContact OG1-CG2 3.27Å; T56-T85 WeakPolarHBondContact OG1-CG2 3.49Å; V68-T85 HydrophobicContact CG2-CG2 4.03Å; L82-T85 WeakPolarHBondContact O-CA 3.29Å; L82-T85 VanDerWaalsContact O-CB 3.28Å; L82-T85 WeakPolarHBondContact O-CB 3.42Å; L82-T85 PolarHBondContact O-N 3.19Å; T83-T85 PolarHBondContact O-N 2.66Å
86F90.6Very high92.2Very high8 Ų845.8 Ų45.84%0.03525%0.25CC..Hα-helixtrans-72.4-46.7177.1-63.3-33.9000111.4Y36 L82 T83 D88 L89 F93 I95 Y114 P116Y36-F86 HydrophobicContact CD1-CD2 4.24Å; Y36-F86 AromaticContact CD1-CE2 3.74Å; Y36-F86 HydrophobicContact CD1-CE2 3.74Å; Y36-F86 AromaticContact CD2-CD2 3.89Å; Y36-F86 HydrophobicContact CD2-CD2 3.89Å; Y36-F86 HydrophobicContact CD2-CE2 4.16Å; Y36-F86 HydrophobicContact CE1-CE2 4.47Å; Y36-F86 HydrophobicContact CE2-CD2 4.44Å; Y36-F86 AromaticContact CG-CD2 3.78Å; Y36-F86 HydrophobicContact CG-CD2 3.78Å; Y36-F86 AromaticContact CG-CE2 3.55Å; Y36-F86 HydrophobicContact CG-CE2 3.55Å; L82-F86 HydrophobicContact CB-CD2 4.38Å; L82-F86 HydrophobicContact CB-CE1 4.12Å; L82-F86 HydrophobicContact CB-CE2 3.87Å; L82-F86 HydrophobicContact CB-CZ 3.72Å; L82-F86 HydrophobicContact CD1-CE1 4.12Å; L82-F86 HydrophobicContact CD1-CZ 3.69Å; L82-F86 HydrophobicContact CG-CZ 4.38Å; L82-F86 WeakPolarHBondContact O-CG 3.47Å; L82-F86 PolarHBondContact O-N 2.85Å; T83-F86 PolarHBondContact O-N 2.96Å; F86-D88 PolarHBondContact O-N 3.16Å; F86-L89 HydrophobicContact CB-CD2 3.94Å; F86-L89 HydrophobicContact CD2-CD2 4.36Å; F86-F93 HydrophobicContact CB-CE2 4.1Å; F86-F93 HydrophobicContact CB-CZ 4.2Å; F86-F93 HydrophobicContact CD1-CB 4.48Å; F86-F93 HydrophobicContact CD1-CD1 4.01Å; F86-F93 AromaticContact CD1-CD2 3.65Å; F86-F93 HydrophobicContact CD1-CD2 3.65Å; F86-F93 HydrophobicContact CD1-CE1 4.13Å; F86-F93 AromaticContact CD1-CE2 3.77Å; F86-F93 HydrophobicContact CD1-CE2 3.77Å; F86-F93 AromaticContact CD1-CG 3.78Å; F86-F93 HydrophobicContact CD1-CG 3.78Å; F86-F93 HydrophobicContact CD1-CZ 4.03Å; F86-F93 HydrophobicContact CE1-CB 4.17Å; F86-F93 HydrophobicContact CE1-CD1 4.41Å; F86-F93 HydrophobicContact CE1-CD2 4.07Å; F86-F93 AromaticContact CE1-CG 3.96Å; F86-F93 HydrophobicContact CE1-CG 3.96Å; F86-F93 HydrophobicContact CG-CD2 4.44Å; F86-F93 HydrophobicContact CG-CE2 4.25Å; F86-F93 VanDerWaalsContact O-CZ 3.29Å; F86-F93 WeakPolarHBondContact O-CZ 3.46Å; F86-I95 HydrophobicContact CE1-CD1 4.41Å; F86-I95 HydrophobicContact CZ-CD1 4.27Å; F86-Y114 HydrophobicContact CE1-CD1 4.29Å; F86-Y114 HydrophobicContact CE2-CD1 4.36Å; F86-Y114 AromaticContact CE2-CE1 3.83Å; F86-Y114 HydrophobicContact CE2-CE1 3.83Å; F86-Y114 AromaticContact CZ-CD1 3.73Å; F86-Y114 HydrophobicContact CZ-CD1 3.73Å; F86-Y114 AromaticContact CZ-CE1 3.63Å; F86-Y114 HydrophobicContact CZ-CE1 3.63Å; F86-P116 HydrophobicContact CB-CG 4.1Å; F86-P116 HydrophobicContact CD1-CG 3.85Å; F86-P116 HydrophobicContact CD2-CB 3.74Å; F86-P116 HydrophobicContact CD2-CG 3.49Å; F86-P116 VanDerWaalsContact CD2-CG 3.49Å; F86-P116 HydrophobicContact CE1-CG 4.09Å; F86-P116 HydrophobicContact CE2-CB 4.02Å; F86-P116 HydrophobicContact CE2-CG 3.73Å; F86-P116 HydrophobicContact CG-CB 4.24Å; F86-P116 HydrophobicContact CG-CG 3.56Å; F86-P116 HydrophobicContact CZ-CG 4.03Å
87G84.4Confident92.5Very high57 Ų5737.2 Ų37.259%0.58821%0.213SC*.SBendtrans65.9-73.5179.700000112.8
88D85.4Confident92.6Very high48 Ų4834.7 Ų34.726%0.25719%0.192SC..SBendtrans-98.3117.5167-164.8-25.6000110.8F86 L90F86-D88 PolarHBondContact O-N 3.16Å; D88-L90 VanDerWaalsContact C-N 3.26Å; D88-L90 PolarHBondContact O-N 3.31Å; D88-L90 WeakPolarHBondContact OD1-CB 3.37Å; D88-L90 VanDerWaalsContact OD1-CG 3.29Å; D88-L90 WeakPolarHBondContact OD1-CG 3.48Å; D88-L90 PolarHBondContact OD1-N 3.34Å
89L89.6Confident92.6Very high3 Ų333.1 Ų33.12%0.01618%0.184CC..THydrogen-bonded Turntrans-75-12.1-177.9-54.8-177.9000113.5Y36 F86 H91 P116 I117 F145 N148Y36-L89 HydrophobicContact CD2-CD2 4.31Å; Y36-L89 HydrophobicContact CE2-CD1 4.08Å; Y36-L89 HydrophobicContact CE2-CD2 3.6Å; F86-L89 HydrophobicContact CB-CD2 3.94Å; F86-L89 HydrophobicContact CD2-CD2 4.36Å; L89-H91 VanDerWaalsContact C-N 3.34Å; L89-P116 HydrophobicContact CB-CB 4.13Å; L89-P116 HydrophobicContact CD2-CB 3.72Å; L89-P116 HydrophobicContact CD2-CG 4.47Å; L89-P116 HydrophobicContact CG-CB 4.47Å; L89-I117 HydrophobicContact CB-CB 4.09Å; L89-I117 VanDerWaalsContact O-CB 3.29Å; L89-I117 WeakPolarHBondContact O-CB 3.29Å; L89-I117 WeakPolarHBondContact O-CG2 3.45Å; L89-I117 PolarHBondContact O-N 3.26Å; L89-I117 VanDerWaalsContact O-N 3.11Å; L89-F145 HydrophobicContact CD1-CD1 3.86Å; L89-F145 HydrophobicContact CD1-CE1 4.26Å; L89-F145 HydrophobicContact CD1-CG 4.39Å; L89-N148 HydrophobicContact CD1-CB 3.83Å; L89-N148 HydrophobicContact CG-CB 4.42Å
90L85.9Confident92.6Very high43 Ų4331.8 Ų31.823%0.22517%0.174CC..THydrogen-bonded Turntrans-72.5-28.4177.4-57.8179.7000112.2D88 K115 I117 I152D88-L90 VanDerWaalsContact C-N 3.26Å; D88-L90 PolarHBondContact O-N 3.31Å; D88-L90 WeakPolarHBondContact OD1-CB 3.37Å; D88-L90 VanDerWaalsContact OD1-CG 3.29Å; D88-L90 WeakPolarHBondContact OD1-CG 3.48Å; D88-L90 PolarHBondContact OD1-N 3.34Å; L90-K115 WeakPolarHBondContact O-CE 3.34Å; L90-I117 HydrophobicContact CD2-CD1 3.39Å; L90-I117 HydrophobicContact CD2-CG2 4.45Å; L90-I152 HydrophobicContact CD2-CG1 4.45Å
91H87.7Confident92.5Very high63 Ų6334.6 Ų34.629%0.29219%0.188SC..SBendtrans-67.9156.9-179.9-67.4142.3000113.6N60 L89 F93 P116N60-H91 PolarHBondContact ND2-CD2 3.31Å; N60-H91 PolarHBondContact ND2-NE2 3.32Å; L89-H91 VanDerWaalsContact C-N 3.34Å; H91-F93 HydrophobicContact CB-CD2 4.37Å; H91-F93 HydrophobicContact CB-CE2 3.6Å; H91-F93 HydrophobicContact CB-CZ 3.91Å; H91-P116 VanDerWaalsContact O-CD 3.28Å; H91-P116 WeakPolarHBondContact O-CD 3.24Å
92I90.9Very high92.2Very high54 Ų5434.4 Ų34.428%0.27720%0.201SC..  trans-99.9133.8174.3-58.9-179.9000109.2Q59 E113 K115Q59-I92 HydrophobicContact CB-CB 4.38Å; Q59-I92 PolarHBondContact N-O 2.72Å; I92-E113 HydrophobicContact CG2-CB 4.2Å; I92-K115 HydrophobicContact CG1-CG 4.34Å
93F93Very high91.9Very high9 Ų942.2 Ų42.24%0.03924%0.243CC..EExtended strand (participates in β ladder)trans-123.5138.9-175.9-67.3-91.1000112.3A57 F86 H91 Y114 P116A57-F93 WeakPolarHBondContact O-CA 3.36Å; F86-F93 HydrophobicContact CB-CE2 4.1Å; F86-F93 HydrophobicContact CB-CZ 4.2Å; F86-F93 HydrophobicContact CD1-CB 4.48Å; F86-F93 HydrophobicContact CD1-CD1 4.01Å; F86-F93 AromaticContact CD1-CD2 3.65Å; F86-F93 HydrophobicContact CD1-CD2 3.65Å; F86-F93 HydrophobicContact CD1-CE1 4.13Å; F86-F93 AromaticContact CD1-CE2 3.77Å; F86-F93 HydrophobicContact CD1-CE2 3.77Å; F86-F93 AromaticContact CD1-CG 3.78Å; F86-F93 HydrophobicContact CD1-CG 3.78Å; F86-F93 HydrophobicContact CD1-CZ 4.03Å; F86-F93 HydrophobicContact CE1-CB 4.17Å; F86-F93 HydrophobicContact CE1-CD1 4.41Å; F86-F93 HydrophobicContact CE1-CD2 4.07Å; F86-F93 AromaticContact CE1-CG 3.96Å; F86-F93 HydrophobicContact CE1-CG 3.96Å; F86-F93 HydrophobicContact CG-CD2 4.44Å; F86-F93 HydrophobicContact CG-CE2 4.25Å; F86-F93 VanDerWaalsContact O-CZ 3.29Å; F86-F93 WeakPolarHBondContact O-CZ 3.46Å; H91-F93 HydrophobicContact CB-CD2 4.37Å; H91-F93 HydrophobicContact CB-CE2 3.6Å; H91-F93 HydrophobicContact CB-CZ 3.91Å; F93-Y114 PolarHBondContact N-O 3.22Å; F93-Y114 WeakPolarHBondContact O-CB 3.21Å; F93-Y114 PolarHBondContact O-N 3.08Å; F93-P116 HydrophobicContact CD2-CG 3.89Å; F93-P116 HydrophobicContact CE2-CG 4.1Å
94N94.6Very high91.8Very high48 Ų4846.8 Ų46.826%0.25727%0.267SS..EExtended strand (participates in β ladder)trans-101.8125165.5-66-49.7000108.6T56 A57 G112 E113T56-N94 CarbonylContact C-O 3.55Å; T56-N94 WeakPolarHBondContact CA-O 3.44Å; A57-N94 PolarHBondContact N-O 3.26Å; A57-N94 PolarHBondContact O-N 3.31Å; N94-G112 VanDerWaalsContact OD1-CA 3.23Å; N94-G112 WeakPolarHBondContact OD1-CA 3.24Å; N94-E113 PolarHBondContact OD1-N 2.84Å
95I96Very high92Very high1 Ų143.6 Ų43.61%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-112.3129.7-176.7-55.3160.4000108.5V29 L38 V54 H55 T56 L82 F86 K110 L111 Y114V29-I95 HydrophobicContact CG2-CD1 3.73Å; L38-I95 HydrophobicContact CD1-CG2 4.06Å; L38-I95 HydrophobicContact CD2-CG2 3.83Å; V54-I95 HydrophobicContact CG1-CG2 4.25Å; H55-I95 WeakPolarHBondContact O-CA 3.47Å; T56-I95 HydrophobicContact CG2-CG1 4.17Å; L82-I95 HydrophobicContact CD1-CD1 3.76Å; L82-I95 HydrophobicContact CD1-CG1 4.29Å; L82-I95 HydrophobicContact CD1-CG2 4.4Å; F86-I95 HydrophobicContact CE1-CD1 4.41Å; F86-I95 HydrophobicContact CZ-CD1 4.27Å; I95-K110 CarbonylContact O-C 3.6Å; I95-K110 WeakPolarHBondContact O-CA 3.4Å; I95-L111 HydrophobicContact CB-CB 4.36Å; I95-L111 HydrophobicContact CD1-CD2 4.17Å; I95-L111 PolarHBondContact N-O 3.17Å; I95-L111 PolarHBondContact O-N 3.13Å; I95-Y114 HydrophobicContact CD1-CD1 4.07Å; I95-Y114 HydrophobicContact CD1-CG 4.09Å
96E96.4Very high92.2Very high16 Ų1642.4 Ų42.48%0.07525%0.251CS..EExtended strand (participates in β ladder)trans-121.8132.8174.6-58.8-165.4156.400111.4V54 H55 L65 K98 P108 A109 K110V54-E96 WeakPolarHBondContact CA-O 3.46Å; H55-E96 HydrophobicContact CB-CB 4.42Å; H55-E96 PolarHBondContact N-O 3.31Å; H55-E96 PolarHBondContact O-N 2.92Å; L65-E96 HydrophobicContact CD2-CG 4Å; E96-K98 WeakPolarHBondContact OE2-CE 3.29Å; E96-K98 IonicContact OE2-NZ 2.68Å; E96-K98 PolarHBondContact OE2-NZ 2.98Å; E96-P108 HydrophobicContact CB-CB 4.3Å; E96-A109 WeakPolarHBondContact CA-O 3.44Å; E96-K110 HydrophobicContact CG-CD 4.34Å; E96-K110 HydrophobicContact CG-CG 4.18Å; E96-K110 WeakPolarHBondContact OE1-CD 3.07Å; E96-K110 WeakPolarHBondContact OE1-CE 3.46Å; E96-K110 IonicContact OE1-NZ 3.35Å; E96-K110 PolarHBondContact OE1-NZ 3.14Å
97V97.7Very high92.4Very high0 Ų049.2 Ų49.20%028%0.282CS..EExtended strand (participates in β ladder)trans-111.6128.1169.2-169.70000109.1P24 V27 L38 W40 F52 S53 V54 P108 A109P24-V97 HydrophobicContact CB-CB 4.42Å; P24-V97 HydrophobicContact CB-CG1 4.23Å; P24-V97 HydrophobicContact CG-CB 4.16Å; P24-V97 HydrophobicContact CG-CG1 3.88Å; V27-V97 HydrophobicContact CG1-CG2 4.07Å; V27-V97 HydrophobicContact CG2-CB 4.48Å; V27-V97 HydrophobicContact CG2-CG2 4.15Å; L38-V97 HydrophobicContact CD2-CG2 3.83Å; W40-V97 HydrophobicContact CD2-CG1 3.95Å; W40-V97 HydrophobicContact CE3-CG2 4.44Å; W40-V97 HydrophobicContact CG-CG1 4.07Å; F52-V97 HydrophobicContact CB-CG1 4.33Å; F52-V97 HydrophobicContact CD1-CG1 4.28Å; S53-V97 WeakPolarHBondContact O-CA 3.48Å; V54-V97 HydrophobicContact CG2-CG2 4.41Å; V97-P108 WeakPolarHBondContact O-CA 3.42Å; V97-A109 PolarHBondContact N-O 2.99Å; V97-A109 PolarHBondContact O-N 2.84Å
98K96.4Very high92.9Very high40 Ų4048 Ų4817%0.17426%0.264CS..EExtended strand (participates in β ladder)trans-120.4134.7178.3-70.1164.3-172.9157.10109.6F52 S53 E96 H100 T105 P108F52-K98 CarbonylContact C-O 3.43Å; F52-K98 VanDerWaalsContact CA-O 3.24Å; F52-K98 WeakPolarHBondContact CA-O 3.43Å; S53-K98 PolarHBondContact N-O 3.15Å; S53-K98 PolarHBondContact O-N 3.05Å; E96-K98 WeakPolarHBondContact OE2-CE 3.29Å; E96-K98 IonicContact OE2-NZ 2.68Å; E96-K98 PolarHBondContact OE2-NZ 2.98Å; K98-H100 PolarHBondContact O-CD2 3.23Å; K98-T105 HydrophobicContact CB-CG2 4.34Å; K98-P108 HydrophobicContact CD-CB 4.49Å; K98-P108 HydrophobicContact CG-CB 3.89Å
99A97Very high93.4Very high0 Ų046.4 Ų46.40%026%0.257CS..EExtended strand (participates in β ladder)trans-89.3148.3169.700000109.8L21 P24 T50 Y51 F52 T105 S106L21-A99 VanDerWaalsContact CD2-C 3.42Å; L21-A99 HydrophobicContact CD2-CB 3.82Å; L21-A99 WeakPolarHBondContact CD2-O 3Å; L21-A99 HydrophobicContact CG-CB 4.21Å; P24-A99 HydrophobicContact CG-CB 4.45Å; T50-A99 HydrophobicContact CG2-CB 3.91Å; Y51-A99 CarbonylContact O-C 3.53Å; Y51-A99 WeakPolarHBondContact O-CA 3.33Å; F52-A99 HydrophobicContact CD1-CB 3.81Å; F52-A99 HydrophobicContact CE1-CB 3.58Å; F52-A99 HydrophobicContact CZ-CB 4.37Å; A99-T105 CarbonylContact O-C 3.48Å; A99-T105 WeakPolarHBondContact O-CA 3.41Å; A99-S106 PolarHBondContact N-OG 2.82Å; A99-S106 PolarHBondContact O-N 3.22Å
100H95.9Very high93.7Very high26 Ų2653 Ų5312%0.1229%0.286CS..EExtended strand (participates in β ladder)trans-141.1138.2-178.6-57.9-84.3000111.7T50 Y51 S53 K98 N104 T105T50-H100 WeakPolarHBondContact CA-O 3.24Å; Y51-H100 HydrophobicContact CD1-CB 3.99Å; Y51-H100 WeakPolarHBondContact CD1-O 3.42Å; Y51-H100 HydrophobicContact CD2-CB 3.94Å; Y51-H100 AromaticContact CD2-CD2 3.99Å; Y51-H100 HydrophobicContact CE1-CB 3.5Å; Y51-H100 HydrophobicContact CE2-CB 3.49Å; Y51-H100 VanDerWaalsContact CE2-CB 3.49Å; Y51-H100 AromaticContact CE2-CD2 3.58Å; Y51-H100 AromaticContact CE2-CG 3.7Å; Y51-H100 HydrophobicContact CG-CB 4.21Å; Y51-H100 AromaticContact CZ-CG 3.84Å; Y51-H100 PolarHBondContact N-O 2.89Å; Y51-H100 PolarHBondContact O-N 2.86Å; S53-H100 PolarHBondContact OG-NE2 2.61Å; K98-H100 PolarHBondContact O-CD2 3.23Å; H100-N104 CarbonylContact C-O 3.6Å; H100-N104 WeakPolarHBondContact CA-O 3.3Å; H100-T105 VanDerWaalsContact CE1-CG2 3.43Å; H100-T105 WeakPolarHBondContact CE1-CG2 3.42Å; H100-T105 WeakPolarHBondContact ND1-CG2 3.46Å; H100-T105 PolarHBondContact ND1-OG1 2.94Å
101L94.9Very high94.1Very high61 Ų6153 Ų5332%0.31929%0.286SS..EExtended strand (participates in β ladder)trans-143.1111.9170.1-178.872.2000109.6L21 P47 N103 N104L21-L101 HydrophobicContact CD1-CB 4.24Å; L21-L101 HydrophobicContact CD2-CB 4.22Å; P47-L101 HydrophobicContact CB-CD2 4.17Å; P47-L101 HydrophobicContact CG-CD2 3.61Å; L101-N103 PolarHBondContact O-N 2.93Å; L101-N104 PolarHBondContact N-O 2.81Å; L101-N104 WeakPolarHBondContact O-CB 3.38Å; L101-N104 PolarHBondContact O-N 3.27Å
102G89.8Confident94.3Very high59 Ų5952.1 Ų52.161%0.60829%0.294SS*.THydrogen-bonded Turntrans58.1-123.9-171.500000110.3
103N88.6Confident94.4Very high164 Ų16457.3 Ų57.388%0.87732%0.317SS*.THydrogen-bonded Turntrans-88.2-8175.4-64.9-2000113.3L101L101-N103 PolarHBondContact O-N 2.93Å
104N91.1Very high94.4Very high106 Ų10657.7 Ų57.757%0.56732%0.318SS*.EExtended strand (participates in β ladder)trans-82.3132.3-179.4-65.8-8000110.1H100 L101H100-N104 CarbonylContact C-O 3.6Å; H100-N104 WeakPolarHBondContact CA-O 3.3Å; L101-N104 PolarHBondContact N-O 2.81Å; L101-N104 WeakPolarHBondContact O-CB 3.38Å; L101-N104 PolarHBondContact O-N 3.27Å
105T94.5Very high94.2Very high75 Ų7557 Ų5746%0.4631%0.313SS..EExtended strand (participates in β ladder)trans-125.5139.4177.1-61.40000109.2K98 A99 H100K98-T105 HydrophobicContact CB-CG2 4.34Å; A99-T105 CarbonylContact O-C 3.48Å; A99-T105 WeakPolarHBondContact O-CA 3.41Å; H100-T105 VanDerWaalsContact CE1-CG2 3.43Å; H100-T105 WeakPolarHBondContact CE1-CG2 3.42Å; H100-T105 WeakPolarHBondContact ND1-CG2 3.46Å; H100-T105 PolarHBondContact ND1-OG1 2.94Å
106S95.2Very high94.1Very high10 Ų1057 Ų577%0.0731%0.313CS..PPolyproline II helixtrans-75.5168.4177.873.50000112.3L21 P22 A99L21-S106 WeakPolarHBondContact O-CA 3.43Å; L21-S106 WeakPolarHBondContact O-CB 2.98Å; P22-S106 WeakPolarHBondContact O-CB 3.24Å; A99-S106 PolarHBondContact N-OG 2.82Å; A99-S106 PolarHBondContact O-N 3.22Å
107Q94.9Very high93.8Very high150 Ų15056.2 Ų56.270%0.70131%0.309SS*.PPolyproline II helixtrans-59.6145.7157.2-68.2-64.3-14.300110A23A23-Q107 HydrophobicContact CB-CB 4.37Å; A23-Q107 WeakPolarHBondContact CB-O 3.28Å
108P95.2Very high93.4Very high33 Ų3359.1 Ų59.121%0.21433%0.333CS..PPolyproline II helixtrans-74134.4178.728.8-33.2000111.5E96 V97 K98 K110E96-P108 HydrophobicContact CB-CB 4.3Å; V97-P108 WeakPolarHBondContact O-CA 3.42Å; K98-P108 HydrophobicContact CD-CB 4.49Å; K98-P108 HydrophobicContact CG-CB 3.89Å; P108-K110 HydrophobicContact CB-CG 4.29Å; P108-K110 HydrophobicContact CG-CG 4.38Å
109A96.6Very high93.1Very high13 Ų1362.1 Ų62.111%0.10735%0.347CS..EExtended strand (participates in β ladder)trans-82.1122.2161.400000108.3P24 V27 E96 V97P24-A109 HydrophobicContact CB-CB 3.79Å; P24-A109 HydrophobicContact CG-CB 4.1Å; P24-A109 VanDerWaalsContact O-CB 3.29Å; P24-A109 WeakPolarHBondContact O-CB 3.48Å; V27-A109 HydrophobicContact CG2-CB 3.51Å; E96-A109 WeakPolarHBondContact CA-O 3.44Å; V97-A109 PolarHBondContact N-O 2.99Å; V97-A109 PolarHBondContact O-N 2.84Å
110K95.1Very high92.8Very high141 Ų14162.4 Ų62.461%0.61335%0.349SS*.EExtended strand (participates in β ladder)trans-111.8139.5-172.9-50.9-160.5-174.4-150.90111.8I95 E96 P108I95-K110 CarbonylContact O-C 3.6Å; I95-K110 WeakPolarHBondContact O-CA 3.4Å; E96-K110 HydrophobicContact CG-CD 4.34Å; E96-K110 HydrophobicContact CG-CG 4.18Å; E96-K110 WeakPolarHBondContact OE1-CD 3.07Å; E96-K110 WeakPolarHBondContact OE1-CE 3.46Å; E96-K110 IonicContact OE1-NZ 3.35Å; E96-K110 PolarHBondContact OE1-NZ 3.14Å; P108-K110 HydrophobicContact CB-CG 4.29Å; P108-K110 HydrophobicContact CG-CG 4.38Å
111L95.3Very high92.6Very high45 Ų4563.4 Ų63.424%0.23636%0.358CS..EExtended strand (participates in β ladder)trans-121.2100.8164.2176.661.6000106.7V27 V29 I95 Y114V27-L111 HydrophobicContact CG1-CB 4.25Å; V29-L111 HydrophobicContact CG2-CD2 3.84Å; I95-L111 HydrophobicContact CB-CB 4.36Å; I95-L111 HydrophobicContact CD1-CD2 4.17Å; I95-L111 PolarHBondContact N-O 3.17Å; I95-L111 PolarHBondContact O-N 3.13Å; L111-Y114 HydrophobicContact CD2-CD2 4.04Å; L111-Y114 HydrophobicContact CD2-CG 4.47Å
112G92.1Very high92.5Very high44 Ų4462.7 Ų62.745%0.45435%0.354SS..EExtended strand (participates in β ladder)trans-87.8160.1-177.600000112.8N94 Y114N94-G112 VanDerWaalsContact OD1-CA 3.23Å; N94-G112 WeakPolarHBondContact OD1-CA 3.24Å; G112-Y114 PolarHBondContact O-N 2.82Å
113E91.1Very high92.5Very high163 Ų16360 Ų6076%0.76233%0.326SS*.EExtended strand (participates in β ladder)trans52.928.9172.5-61.1179.8-17900114.6I92 N94 K115I92-E113 HydrophobicContact CG2-CB 4.2Å; N94-E113 PolarHBondContact OD1-N 2.84Å; E113-K115 PolarHBondContact O-N 2.83Å
114Y93Very high92.6Very high16 Ų1655.5 Ų55.56%0.06331%0.307CS..EExtended strand (participates in β ladder)trans-71.1120.6-179.8-173.8-98.7000110.4V29 Y36 F86 F93 I95 L111 G112 P116 H119V29-Y114 HydrophobicContact CB-CE1 4.21Å; V29-Y114 HydrophobicContact CB-CE2 3.82Å; V29-Y114 HydrophobicContact CG1-CE1 3.97Å; V29-Y114 HydrophobicContact CG1-CE2 4.32Å; V29-Y114 VanDerWaalsContact CG1-OH 3.3Å; V29-Y114 WeakPolarHBondContact CG1-OH 3.42Å; V29-Y114 HydrophobicContact CG2-CE1 4.33Å; V29-Y114 HydrophobicContact CG2-CE2 4.25Å; Y36-Y114 HydrophobicContact CD1-CE1 4.44Å; F86-Y114 HydrophobicContact CE1-CD1 4.29Å; F86-Y114 HydrophobicContact CE2-CD1 4.36Å; F86-Y114 AromaticContact CE2-CE1 3.83Å; F86-Y114 HydrophobicContact CE2-CE1 3.83Å; F86-Y114 AromaticContact CZ-CD1 3.73Å; F86-Y114 HydrophobicContact CZ-CD1 3.73Å; F86-Y114 AromaticContact CZ-CE1 3.63Å; F86-Y114 HydrophobicContact CZ-CE1 3.63Å; F93-Y114 PolarHBondContact N-O 3.22Å; F93-Y114 WeakPolarHBondContact O-CB 3.21Å; F93-Y114 PolarHBondContact O-N 3.08Å; I95-Y114 HydrophobicContact CD1-CD1 4.07Å; I95-Y114 HydrophobicContact CD1-CG 4.09Å; L111-Y114 HydrophobicContact CD2-CD2 4.04Å; L111-Y114 HydrophobicContact CD2-CG 4.47Å; G112-Y114 PolarHBondContact O-N 2.82Å; Y114-P116 HydrophobicContact CD1-CG 4.09Å; Y114-P116 HydrophobicContact CE1-CB 4.17Å; Y114-P116 HydrophobicContact CE1-CG 3.96Å; Y114-H119 AromaticContact CD2-NE2 3.98Å; Y114-H119 AromaticContact CE2-CD2 3.4Å; Y114-H119 WeakPolarHBondContact CE2-CD2 3.32Å; Y114-H119 AromaticContact CE2-NE2 3.27Å; Y114-H119 VanDerWaalsContact CE2-NE2 3.27Å; Y114-H119 WeakPolarHBondContact CE2-NE2 3.19Å; Y114-H119 AromaticContact CZ-CD2 3.44Å; Y114-H119 VanDerWaalsContact CZ-CD2 3.44Å; Y114-H119 AromaticContact CZ-NE2 3.85Å; Y114-H119 PolarHBondContact OH-CD2 2.61Å
115K91.8Very high92.5Very high34 Ų3451.4 Ų51.415%0.14829%0.285CS..  trans-112101.3-179.8-167.2-178.4-178.4-164.30110.2L90 I92 E113 I117 A118 S200L90-K115 WeakPolarHBondContact O-CE 3.34Å; I92-K115 HydrophobicContact CG1-CG 4.34Å; E113-K115 PolarHBondContact O-N 2.83Å; K115-I117 VanDerWaalsContact C-N 3.32Å; K115-I117 HydrophobicContact CD-CG2 4.11Å; K115-I117 HydrophobicContact CG-CG2 3.9Å; K115-I117 PolarHBondContact O-N 2.87Å; K115-A118 HydrophobicContact CB-CB 4.36Å; K115-A118 WeakPolarHBondContact O-CB 3.39Å; K115-A118 PolarHBondContact O-N 2.84Å; K115-S200 PolarHBondContact NZ-O 3.17Å
116P92.8Very high92.2Very high0 Ų051.5 Ų51.50%028%0.283CS..G310 helixtrans-56.3-41.4-169.6-26.734.9000114Y36 F86 L89 H91 F93 Y114 A118 H119Y36-P116 HydrophobicContact CD1-CB 4.43Å; Y36-P116 HydrophobicContact CE1-CB 3.78Å; Y36-P116 WeakPolarHBondContact CE1-O 3.04Å; Y36-P116 HydrophobicContact CE2-CB 4.29Å; Y36-P116 VanDerWaalsContact OH-C 3.23Å; Y36-P116 PolarHBondContact OH-O 3.47Å; F86-P116 HydrophobicContact CB-CG 4.1Å; F86-P116 HydrophobicContact CD1-CG 3.85Å; F86-P116 HydrophobicContact CD2-CB 3.74Å; F86-P116 HydrophobicContact CD2-CG 3.49Å; F86-P116 VanDerWaalsContact CD2-CG 3.49Å; F86-P116 HydrophobicContact CE1-CG 4.09Å; F86-P116 HydrophobicContact CE2-CB 4.02Å; F86-P116 HydrophobicContact CE2-CG 3.73Å; F86-P116 HydrophobicContact CG-CB 4.24Å; F86-P116 HydrophobicContact CG-CG 3.56Å; F86-P116 HydrophobicContact CZ-CG 4.03Å; L89-P116 HydrophobicContact CB-CB 4.13Å; L89-P116 HydrophobicContact CD2-CB 3.72Å; L89-P116 HydrophobicContact CD2-CG 4.47Å; L89-P116 HydrophobicContact CG-CB 4.47Å; H91-P116 VanDerWaalsContact O-CD 3.28Å; H91-P116 WeakPolarHBondContact O-CD 3.24Å; F93-P116 HydrophobicContact CD2-CG 3.89Å; F93-P116 HydrophobicContact CE2-CG 4.1Å; Y114-P116 HydrophobicContact CD1-CG 4.09Å; Y114-P116 HydrophobicContact CE1-CB 4.17Å; Y114-P116 HydrophobicContact CE1-CG 3.96Å; P116-A118 VanDerWaalsContact C-N 3.25Å; P116-A118 PolarHBondContact O-N 2.86Å; P116-H119 PolarHBondContact O-N 2.86Å; P116-H119 VanDerWaalsContact O-N 3.16Å
117I90.1Very high91.9Very high1 Ų151.8 Ų51.81%0.00528%0.284CS..G310 helixtrans-61.5-28.5179.3-172.2170.4000113.8L89 L90 K115 H119 L120 I152 L202L89-I117 HydrophobicContact CB-CB 4.09Å; L89-I117 VanDerWaalsContact O-CB 3.29Å; L89-I117 WeakPolarHBondContact O-CB 3.29Å; L89-I117 WeakPolarHBondContact O-CG2 3.45Å; L89-I117 PolarHBondContact O-N 3.26Å; L89-I117 VanDerWaalsContact O-N 3.11Å; L90-I117 HydrophobicContact CD2-CD1 3.39Å; L90-I117 HydrophobicContact CD2-CG2 4.45Å; K115-I117 VanDerWaalsContact C-N 3.32Å; K115-I117 HydrophobicContact CD-CG2 4.11Å; K115-I117 HydrophobicContact CG-CG2 3.9Å; K115-I117 PolarHBondContact O-N 2.87Å; I117-H119 PolarHBondContact O-N 2.97Å; I117-H119 VanDerWaalsContact O-N 3.1Å; I117-L120 HydrophobicContact CG1-CD2 4.43Å; I117-L120 VanDerWaalsContact O-CB 3.25Å; I117-L120 WeakPolarHBondContact O-CB 3.11Å; I117-L120 PolarHBondContact O-N 2.93Å; I117-I152 HydrophobicContact CD1-CD1 3.25Å; I117-I152 HydrophobicContact CD1-CG1 3.45Å; I117-I152 VanDerWaalsContact CD1-CG1 3.45Å; I117-I152 HydrophobicContact CG1-CD1 4.06Å; I117-L202 HydrophobicContact CD1-CD2 3.4Å; I117-L202 HydrophobicContact CG1-CD2 3.66Å
118A89.4Confident91.5Very high60 Ų6046.6 Ų46.650%0.49627%0.267SS..G310 helixtrans-65.4-16.4179.100000113.1K115 P116K115-A118 HydrophobicContact CB-CB 4.36Å; K115-A118 WeakPolarHBondContact O-CB 3.39Å; K115-A118 PolarHBondContact O-N 2.84Å; P116-A118 VanDerWaalsContact C-N 3.25Å; P116-A118 PolarHBondContact O-N 2.86Å
119H90.4Very high91Very high103 Ų10347.9 Ų47.948%0.47728%0.277SS..G310 helixtrans-102.3-2.8176.6-58.7-76.6000113.3L31 Y114 P116 I117L31-H119 WeakPolarHBondContact CD2-O 3.46Å; Y114-H119 AromaticContact CD2-NE2 3.98Å; Y114-H119 AromaticContact CE2-CD2 3.4Å; Y114-H119 WeakPolarHBondContact CE2-CD2 3.32Å; Y114-H119 AromaticContact CE2-NE2 3.27Å; Y114-H119 VanDerWaalsContact CE2-NE2 3.27Å; Y114-H119 WeakPolarHBondContact CE2-NE2 3.19Å; Y114-H119 AromaticContact CZ-CD2 3.44Å; Y114-H119 VanDerWaalsContact CZ-CD2 3.44Å; Y114-H119 AromaticContact CZ-NE2 3.85Å; Y114-H119 PolarHBondContact OH-CD2 2.61Å; P116-H119 PolarHBondContact O-N 2.86Å; P116-H119 VanDerWaalsContact O-N 3.16Å; I117-H119 PolarHBondContact O-N 2.97Å; I117-H119 VanDerWaalsContact O-N 3.1Å
120L90.8Very high90.3Very high7 Ų749.4 Ų49.44%0.03729%0.286CS..SBendtrans-73128.6179-166.771.5000109.6L31 I117 F145 Y149 I152 F195L31-L120 HydrophobicContact CD2-CD1 4.08Å; I117-L120 HydrophobicContact CG1-CD2 4.43Å; I117-L120 VanDerWaalsContact O-CB 3.25Å; I117-L120 WeakPolarHBondContact O-CB 3.11Å; I117-L120 PolarHBondContact O-N 2.93Å; L120-F145 HydrophobicContact CD1-CB 4.19Å; L120-F145 HydrophobicContact CD1-CD2 3.85Å; L120-F145 HydrophobicContact CD1-CG 4.11Å; L120-Y149 HydrophobicContact CD1-CE2 4.11Å; L120-Y149 HydrophobicContact CD2-CD1 4.27Å; L120-Y149 HydrophobicContact CD2-CD2 4.39Å; L120-Y149 HydrophobicContact CD2-CE1 3.82Å; L120-Y149 HydrophobicContact CD2-CE2 3.97Å; L120-Y149 HydrophobicContact CG-CE1 4.12Å; L120-Y149 HydrophobicContact CG-CE2 4.18Å; L120-Y149 WeakPolarHBondContact CG-OH 3.29Å; L120-I152 HydrophobicContact CD2-CD1 4.24Å; L120-F195 WeakPolarHBondContact O-CE2 3.49Å
121P92Very high89.5Confident46 Ų4654.7 Ų54.730%0.29930%0.302SS..PPolyproline II helixtrans-70.8150.2178.729.2-34.6000111.1P141 Y142 Y149P121-P141 HydrophobicContact CB-CG 4.21Å; P121-P141 HydrophobicContact CG-CB 4.07Å; P121-P141 HydrophobicContact CG-CG 3.91Å; P121-Y142 HydrophobicContact CG-CD2 3.89Å; P121-Y142 HydrophobicContact CG-CE2 3.61Å; P121-Y149 VanDerWaalsContact O-CE1 3.29Å; P121-Y149 WeakPolarHBondContact O-CE1 3.22Å; P121-Y149 PolarHBondContact O-OH 3.12Å
122L92.1Very high88.6Confident46 Ų4657 Ų5724%0.24132%0.318CS..PPolyproline II helixtrans-58.5145.7173.6-78.2149.7000111.5F195L122-F195 HydrophobicContact CD2-CD1 4.38Å; L122-F195 HydrophobicContact CD2-CD2 3.82Å; L122-F195 HydrophobicContact CD2-CE1 4.48Å; L122-F195 HydrophobicContact CD2-CE2 3.93Å; L122-F195 HydrophobicContact CD2-CG 4.06Å; L122-F195 HydrophobicContact CD2-CZ 4.27Å; L122-F195 HydrophobicContact CG-CD2 4.12Å; L122-F195 HydrophobicContact CG-CE2 3.86Å; L122-F195 HydrophobicContact CG-CZ 4.35Å
123P91.3Very high88Confident3 Ų358.7 Ų58.72%0.01931%0.313CS..PPolyproline II helixtrans-60.6140.2169.529.5-35.5000110F138 Y154 L174 I193P123-F138 HydrophobicContact CB-CB 4.4Å; P123-Y154 HydrophobicContact CG-CE1 4.06Å; P123-L174 HydrophobicContact CB-CD1 3.81Å; P123-L174 HydrophobicContact CG-CD1 3.8Å; P123-I193 HydrophobicContact CG-CD1 4.12Å
124S89.6Confident87.6Confident69 Ų6951 Ų5148%0.48328%0.277SS..EExtended strand (participates in β ladder)trans-71.8145168.4-64.30000109.5L139S124-L139 PolarHBondContact N-O 3.44Å; S124-L139 PolarHBondContact O-N 3.09Å
125L89.1Confident87.3Confident21 Ų2150.6 Ų50.611%0.1128%0.277CS..EExtended strand (participates in β ladder)trans-106.6131.6-180-173.965.2000109.8V127 L136 F138 V191L125-V127 HydrophobicContact CD2-CG2 3.69Å; L125-V127 HydrophobicContact CG-CG2 3.76Å; L125-L136 HydrophobicContact CD1-CB 4.1Å; L125-L136 HydrophobicContact CD1-CD2 4.3Å; L125-L136 HydrophobicContact CD2-CD2 4.46Å; L125-F138 HydrophobicContact CD1-CD1 3.71Å; L125-F138 HydrophobicContact CD1-CE1 3.45Å; L125-F138 VanDerWaalsContact CD1-CE1 3.45Å; L125-F138 HydrophobicContact CD1-CZ 4.18Å; L125-V191 HydrophobicContact CD2-CB 3.74Å; L125-V191 HydrophobicContact CD2-CG1 3.56Å
126N88.6Confident87Confident77 Ų7749.1 Ų49.141%0.41227%0.271SS..EExtended strand (participates in β ladder)trans-111.8126.8165.4-178.13.9000108.4R137 L139N126-R137 HydrophobicContact CB-CB 4.34Å; N126-R137 PolarHBondContact N-O 3.19Å; N126-R137 PolarHBondContact O-N 2.72Å; N126-L139 HydrophobicContact CB-CD1 4.13Å
127V88.8Confident86.6Confident15 Ų1557.2 Ų57.29%0.09130%0.301CS..EExtended strand (participates in β ladder)trans-114.4117.1-174-176.60000109L125 L134 L136 V191 E210 I212L125-V127 HydrophobicContact CD2-CG2 3.69Å; L125-V127 HydrophobicContact CG-CG2 3.76Å; V127-L134 HydrophobicContact CG1-CD1 3.6Å; V127-L134 HydrophobicContact CG1-CD2 4.46Å; V127-L134 HydrophobicContact CG1-CG 4.2Å; V127-L136 HydrophobicContact CB-CD2 4.36Å; V127-L136 HydrophobicContact CG1-CD2 4.06Å; V127-L136 HydrophobicContact CG2-CD2 3.86Å; V127-V191 HydrophobicContact CG2-CB 4.32Å; V127-E210 HydrophobicContact CB-CG 4.23Å; V127-E210 HydrophobicContact CG2-CB 3.73Å; V127-E210 HydrophobicContact CG2-CG 3.82Å; V127-I212 HydrophobicContact CG1-CB 4.23Å; V127-I212 HydrophobicContact CG1-CG2 3.75Å
128A86.4Confident86.5Confident41 Ų4158.2 Ų58.234%0.33931%0.306SS..EExtended strand (participates in β ladder)trans-125.1163.8-179.600000111.6C135A128-C135 HydrophobicContact CB-CB 4.34Å; A128-C135 PolarHBondContact N-O 3.02Å; A128-C135 PolarHBondContact O-N 3.4Å
129S84.1Confident86.4Confident61 Ų6158.9 Ų58.943%0.42730%0.3SS..EExtended strand (participates in β ladder)trans-106.5118169.152.20000110.4
130C81.8Confident86.3Confident45 Ų4555.3 Ų55.330%0.30429%0.286SS..EExtended strand (participates in β ladder)trans-106.8104.1171.8-45.60000109.2T132 K133 C135 E178C130-T132 PolarHBondContact O-N 2.96Å; C130-T132 VanDerWaalsContact O-N 3.1Å; C130-K133 PolarHBondContact N-O 2.96Å; C130-K133 PolarHBondContact O-N 2.71Å; C130-C135 HydrophobicContact CB-CB 4.35Å; C130-C135 WeakPolarHBondContact CB-SG 3.08Å; C130-C135 WeakPolarHBondContact SG-CB 3.27Å; C130-C135 CovalentContact SG-SG 2.02Å; C130-C135 PolarHBondContact SG-SG 2.75Å; C130-E178 PolarHBondContact SG-OE1 3.21Å
131R78.3Confident86.2Confident251 Ų25157.8 Ų57.895%0.94730%0.303SS*.THydrogen-bonded Turntrans57.1-112.8-177-52.5176.1-179176.10.7110.8
132T76.2Confident86.1Confident94 Ų9458 Ų5858%0.57730%0.298SS*.THydrogen-bonded Turntrans-95.89.6179570000113.1C130 L183C130-T132 PolarHBondContact O-N 2.96Å; C130-T132 VanDerWaalsContact O-N 3.1Å; T132-L183 WeakPolarHBondContact O-CB 3.44Å; T132-L183 PolarHBondContact O-N 2.65Å
133K81.1Confident85.8Confident79 Ų7960.8 Ų60.834%0.34332%0.321SS..EExtended strand (participates in β ladder)trans-127.8142.4-166.7-75.4163.6155.2-157.30111.9C130 V180 M181 D182 L183C130-K133 PolarHBondContact N-O 2.96Å; C130-K133 PolarHBondContact O-N 2.71Å; K133-V180 HydrophobicContact CB-CG1 4.11Å; K133-V180 HydrophobicContact CD-CG1 3.32Å; K133-V180 HydrophobicContact CG-CG1 3.78Å; K133-V180 VanDerWaalsContact NZ-CG1 3.28Å; K133-M181 CarbonylContact C-O 3.54Å; K133-M181 VanDerWaalsContact CA-O 3.27Å; K133-M181 WeakPolarHBondContact CA-O 3.46Å; K133-D182 WeakPolarHBondContact CE-OD1 3.25Å; K133-D182 WeakPolarHBondContact CG-OD1 3.2Å; K133-L183 WeakPolarHBondContact O-CD1 3.29Å
134L82.9Confident85.6Confident1 Ų165.7 Ų65.71%0.00534%0.339CS..EExtended strand (participates in β ladder)trans-70.8142.9167.6-159.866.9000107.6V127 L136 V180 M181 L183 V191 I212V127-L134 HydrophobicContact CG1-CD1 3.6Å; V127-L134 HydrophobicContact CG1-CD2 4.46Å; V127-L134 HydrophobicContact CG1-CG 4.2Å; L134-L136 HydrophobicContact CD2-CD2 3.97Å; L134-L136 HydrophobicContact CG-CD2 4.16Å; L134-V180 WeakPolarHBondContact O-CA 3.34Å; L134-M181 HydrophobicContact CB-CB 4.27Å; L134-M181 PolarHBondContact N-O 2.84Å; L134-L183 HydrophobicContact CB-CD2 3.83Å; L134-L183 HydrophobicContact CB-CG 4.27Å; L134-L183 HydrophobicContact CD1-CD2 3.99Å; L134-L183 HydrophobicContact CG-CD2 4.43Å; L134-V191 HydrophobicContact CD2-CG2 3.84Å; L134-I212 HydrophobicContact CD1-CG2 3.71Å
135C84.9Confident85.5Confident8 Ų862.6 Ų62.65%0.05432%0.317CS..EExtended strand (participates in β ladder)trans-127.9119.6175.6-700000108.4A128 C130 E178A128-C135 HydrophobicContact CB-CB 4.34Å; A128-C135 PolarHBondContact N-O 3.02Å; A128-C135 PolarHBondContact O-N 3.4Å; C130-C135 HydrophobicContact CB-CB 4.35Å; C130-C135 WeakPolarHBondContact CB-SG 3.08Å; C130-C135 WeakPolarHBondContact SG-CB 3.27Å; C130-C135 CovalentContact SG-SG 2.02Å; C130-C135 PolarHBondContact SG-SG 2.75Å; C135-E178 HydrophobicContact CB-CG 4.17Å; C135-E178 PolarHBondContact SG-OE1 2.83Å
136L85.6Confident85.5Confident4 Ų465 Ų652%0.02133%0.328CS..EExtended strand (participates in β ladder)trans-102.6127.9177.6-57.7-176.3000108.9L125 V127 L134 F138 L156 I179 V191L125-L136 HydrophobicContact CD1-CB 4.1Å; L125-L136 HydrophobicContact CD1-CD2 4.3Å; L125-L136 HydrophobicContact CD2-CD2 4.46Å; V127-L136 HydrophobicContact CB-CD2 4.36Å; V127-L136 HydrophobicContact CG1-CD2 4.06Å; V127-L136 HydrophobicContact CG2-CD2 3.86Å; L134-L136 HydrophobicContact CD2-CD2 3.97Å; L134-L136 HydrophobicContact CG-CD2 4.16Å; L136-F138 HydrophobicContact CB-CE2 4.45Å; L136-F138 HydrophobicContact CB-CZ 4.24Å; L136-L156 HydrophobicContact CD1-CD1 3.37Å; L136-L156 HydrophobicContact CD1-CD2 4.17Å; L136-L156 HydrophobicContact CD1-CG 4.42Å; L136-I179 HydrophobicContact CB-CB 4.28Å; L136-I179 HydrophobicContact CD1-CB 4.08Å; L136-I179 HydrophobicContact CD1-CD1 4.38Å; L136-I179 HydrophobicContact CD1-CG2 4.17Å; L136-I179 HydrophobicContact CG-CB 4.33Å; L136-V191 HydrophobicContact CD1-CG1 4.12Å; L136-V191 HydrophobicContact CD2-CB 4.42Å; L136-V191 HydrophobicContact CD2-CG1 4.29Å; L136-V191 HydrophobicContact CD2-CG2 4.2Å
137R86.1Confident85.4Confident170 Ų17068.1 Ų68.164%0.64234%0.34SS*.EExtended strand (participates in β ladder)trans-122.2117.9173.5-179.9176.3-179.6174.82.4109.7N126N126-R137 HydrophobicContact CB-CB 4.34Å; N126-R137 PolarHBondContact N-O 3.19Å; N126-R137 PolarHBondContact O-N 2.72Å
138F86.4Confident85.4Confident22 Ų2268.4 Ų68.410%0.09634%0.341CS..EExtended strand (participates in β ladder)trans-84.5142177.2-54.1-76.8000111.3P123 L125 L136 L156 I171 L174 I179 I193P123-F138 HydrophobicContact CB-CB 4.4Å; L125-F138 HydrophobicContact CD1-CD1 3.71Å; L125-F138 HydrophobicContact CD1-CE1 3.45Å; L125-F138 VanDerWaalsContact CD1-CE1 3.45Å; L125-F138 HydrophobicContact CD1-CZ 4.18Å; L136-F138 HydrophobicContact CB-CE2 4.45Å; L136-F138 HydrophobicContact CB-CZ 4.24Å; F138-L156 HydrophobicContact CE1-CD2 4.16Å; F138-L156 HydrophobicContact CZ-CD2 4.21Å; F138-I171 HydrophobicContact CE1-CD1 4.46Å; F138-I171 HydrophobicContact CE2-CD1 4.29Å; F138-I171 HydrophobicContact CZ-CD1 3.69Å; F138-L174 HydrophobicContact CB-CB 4.37Å; F138-L174 HydrophobicContact CB-CD1 3.93Å; F138-L174 HydrophobicContact CB-CD2 4.24Å; F138-L174 HydrophobicContact CB-CG 4.42Å; F138-L174 HydrophobicContact CD1-CD2 4.05Å; F138-L174 HydrophobicContact CD2-CB 4.42Å; F138-L174 HydrophobicContact CD2-CD2 3.87Å; F138-L174 HydrophobicContact CE1-CD2 4.42Å; F138-L174 HydrophobicContact CE2-CD2 4.26Å; F138-L174 HydrophobicContact CG-CD1 4.35Å; F138-L174 HydrophobicContact CG-CD2 3.76Å; F138-L174 HydrophobicContact CG-CG 4.44Å; F138-I179 HydrophobicContact CE2-CD1 3.96Å; F138-I179 HydrophobicContact CZ-CD1 3.94Å; F138-I193 HydrophobicContact CD1-CD1 3.8Å; F138-I193 HydrophobicContact CE1-CD1 3.37Å; F138-I193 HydrophobicContact CZ-CD1 4.25Å
139L87.4Confident85.5Confident74 Ų7466.4 Ų66.439%0.38733%0.325SS..EExtended strand (participates in β ladder)trans-134.389.3-176.2-65.9170.3000108.9S124 N126S124-L139 PolarHBondContact N-O 3.44Å; S124-L139 PolarHBondContact O-N 3.09Å; N126-L139 HydrophobicContact CB-CD1 4.13Å
140P88.6Confident85.7Confident27 Ų2765.2 Ų65.218%0.17531%0.313CS..  trans-56.1131173.3-31.540.9000112.6Y142 Y149 L174P140-Y142 PolarHBondContact O-N 3.24Å; P140-Y149 HydrophobicContact CB-CD2 3.62Å; P140-Y149 HydrophobicContact CB-CE2 3.66Å; P140-Y149 HydrophobicContact CB-CG 4.11Å; P140-Y149 HydrophobicContact CG-CD1 4.49Å; P140-Y149 HydrophobicContact CG-CD2 3.97Å; P140-Y149 HydrophobicContact CG-CE2 4.46Å; P140-Y149 HydrophobicContact CG-CG 4.01Å; P140-L174 HydrophobicContact CG-CD1 4.47Å
141P88.9Confident85.9Confident60 Ų6068.5 Ų68.539%0.3932%0.323SS..SBendtrans-60.5-26.2176.9-27.636.1000114.1P121P121-P141 HydrophobicContact CB-CG 4.21Å; P121-P141 HydrophobicContact CG-CB 4.07Å; P121-P141 HydrophobicContact CG-CG 3.91Å
142Y89Confident86.4Confident51 Ų5156.6 Ų56.620%0.228%0.277CS..  trans-127.798.8-176-59.3-44.2000109.6L31 Q33 P121 P140 R144 F145L31-Y142 HydrophobicContact CD2-CD2 4.26Å; L31-Y142 HydrophobicContact CD2-CE2 3.86Å; L31-Y142 HydrophobicContact CG-CD2 4.39Å; L31-Y142 HydrophobicContact CG-CE2 3.82Å; Q33-Y142 HydrophobicContact CG-CD1 4.08Å; Q33-Y142 HydrophobicContact CG-CE1 3.82Å; P121-Y142 HydrophobicContact CG-CD2 3.89Å; P121-Y142 HydrophobicContact CG-CE2 3.61Å; P140-Y142 PolarHBondContact O-N 3.24Å; Y142-R144 PolarHBondContact O-N 3.15Å; Y142-R144 VanDerWaalsContact O-N 3.14Å; Y142-F145 HydrophobicContact CD2-CD2 4.16Å; Y142-F145 HydrophobicContact CD2-CE2 4.31Å; Y142-F145 HydrophobicContact CG-CD2 4.28Å; Y142-F145 PolarHBondContact O-N 3.1Å; Y142-F145 VanDerWaalsContact O-N 3.08Å
143S86.3Confident87.1Confident103 Ų10354 Ų5472%0.7226%0.26SS*.G310 helixtrans-56.4-30.6-177.553.30000113.9F145 Q146S143-F145 PolarHBondContact O-N 3.32Å; S143-F145 VanDerWaalsContact O-N 3.17Å; S143-Q146 WeakPolarHBondContact O-CB 3.4Å; S143-Q146 PolarHBondContact O-N 3.32Å; S143-Q146 VanDerWaalsContact O-N 3.13Å
144R87.4Confident87.6Confident106 Ų10650.3 Ų50.340%0.424%0.244SC..G310 helixtrans-63.5-18.1178.474.1170.7-59.3164.99.3114.8S34 T83 E84 Y142S34-R144 PolarHBondContact O-NH1 3.04Å; T83-R144 VanDerWaalsContact CG2-CZ 3.44Å; E84-R144 IonicContact OE1-CZ 2.72Å; E84-R144 IonicContact OE1-NH2 3.58Å; E84-R144 PolarHBondContact OE1-NH2 3.48Å; Y142-R144 PolarHBondContact O-N 3.15Å; Y142-R144 VanDerWaalsContact O-N 3.14Å
145F88.8Confident88Confident5 Ų551 Ų512%0.02225%0.247CC..G310 helixtrans-103.513.1178.8-59.7-57.4000112.3L31 Y36 T83 L89 L120 Y142 S143 E147 N148 Y149L31-F145 HydrophobicContact CD1-CE2 3.68Å; L31-F145 HydrophobicContact CD1-CZ 3.97Å; Y36-F145 HydrophobicContact CD2-CE1 4.2Å; Y36-F145 AromaticContact CD2-CZ 3.85Å; Y36-F145 HydrophobicContact CD2-CZ 3.85Å; Y36-F145 AromaticContact CE2-CE1 3.84Å; Y36-F145 HydrophobicContact CE2-CE1 3.84Å; Y36-F145 HydrophobicContact CE2-CE2 4.34Å; Y36-F145 AromaticContact CE2-CZ 3.64Å; Y36-F145 HydrophobicContact CE2-CZ 3.64Å; T83-F145 HydrophobicContact CG2-CE1 3.6Å; T83-F145 HydrophobicContact CG2-CZ 3.77Å; L89-F145 HydrophobicContact CD1-CD1 3.86Å; L89-F145 HydrophobicContact CD1-CE1 4.26Å; L89-F145 HydrophobicContact CD1-CG 4.39Å; L120-F145 HydrophobicContact CD1-CB 4.19Å; L120-F145 HydrophobicContact CD1-CD2 3.85Å; L120-F145 HydrophobicContact CD1-CG 4.11Å; Y142-F145 HydrophobicContact CD2-CD2 4.16Å; Y142-F145 HydrophobicContact CD2-CE2 4.31Å; Y142-F145 HydrophobicContact CG-CD2 4.28Å; Y142-F145 PolarHBondContact O-N 3.1Å; Y142-F145 VanDerWaalsContact O-N 3.08Å; S143-F145 PolarHBondContact O-N 3.32Å; S143-F145 VanDerWaalsContact O-N 3.17Å; F145-E147 VanDerWaalsContact C-N 3.26Å; F145-E147 PolarHBondContact O-N 3.11Å; F145-N148 HydrophobicContact CB-CB 4.48Å; F145-N148 WeakPolarHBondContact O-CA 3.44Å; F145-N148 WeakPolarHBondContact O-CB 3.41Å; F145-N148 PolarHBondContact O-N 3.29Å; F145-Y149 HydrophobicContact CB-CD2 4.07Å; F145-Y149 HydrophobicContact CB-CE2 3.91Å; F145-Y149 WeakPolarHBondContact O-CD2 3.18Å; F145-Y149 PolarHBondContact O-N 3.16Å
146Q88.1Confident88.3Confident72 Ų7250.6 Ų50.634%0.33625%0.245SC..Hα-helixtrans-49.8-45.8-179.3-176.268.253.100112.1S143 N148 Y149 D150S143-Q146 WeakPolarHBondContact O-CB 3.4Å; S143-Q146 PolarHBondContact O-N 3.32Å; S143-Q146 VanDerWaalsContact O-N 3.13Å; Q146-N148 PolarHBondContact O-N 3.27Å; Q146-Y149 CarbonylContact O-C 3.6Å; Q146-Y149 PolarHBondContact O-N 3.04Å; Q146-Y149 VanDerWaalsContact O-N 3.17Å; Q146-D150 PolarHBondContact NE2-OD1 2.6Å; Q146-D150 WeakPolarHBondContact O-CB 3.23Å; Q146-D150 VanDerWaalsContact O-CG 3.25Å; Q146-D150 PolarHBondContact O-N 3.22Å
147E87.2Confident88.6Confident142 Ų14253.2 Ų53.266%0.66426%0.257SS*.Hα-helixtrans-64.4-25.5178.1-64.3-173.6-167.100113.9F145 K151F145-E147 VanDerWaalsContact C-N 3.26Å; F145-E147 PolarHBondContact O-N 3.11Å; E147-K151 WeakPolarHBondContact O-CD 3.23Å; E147-K151 VanDerWaalsContact O-CG 3.24Å; E147-K151 WeakPolarHBondContact O-CG 3.08Å
148N88.1Confident88.8Confident20 Ų2045.4 Ų45.411%0.10723%0.228CC..Hα-helixtrans-78.4-44173-54103.9000110.3L89 F145 Q146 D150 K151 I152L89-N148 HydrophobicContact CD1-CB 3.83Å; L89-N148 HydrophobicContact CG-CB 4.42Å; F145-N148 HydrophobicContact CB-CB 4.48Å; F145-N148 WeakPolarHBondContact O-CA 3.44Å; F145-N148 WeakPolarHBondContact O-CB 3.41Å; F145-N148 PolarHBondContact O-N 3.29Å; Q146-N148 PolarHBondContact O-N 3.27Å; N148-D150 PolarHBondContact O-N 3.25Å; N148-K151 PolarHBondContact O-N 3.05Å; N148-I152 WeakPolarHBondContact O-CD1 3.4Å; N148-I152 VanDerWaalsContact O-CG1 3.22Å; N148-I152 WeakPolarHBondContact O-CG1 3.38Å
149Y88.5Confident89Confident0 Ų049.6 Ų49.60%025%0.246CC..Hα-helixtrans-57.2-35.8171-73.1-79.1000112.2L120 P121 P140 F145 Q146 K151 Y154 L174 F195L120-Y149 HydrophobicContact CD1-CE2 4.11Å; L120-Y149 HydrophobicContact CD2-CD1 4.27Å; L120-Y149 HydrophobicContact CD2-CD2 4.39Å; L120-Y149 HydrophobicContact CD2-CE1 3.82Å; L120-Y149 HydrophobicContact CD2-CE2 3.97Å; L120-Y149 HydrophobicContact CG-CE1 4.12Å; L120-Y149 HydrophobicContact CG-CE2 4.18Å; L120-Y149 WeakPolarHBondContact CG-OH 3.29Å; P121-Y149 VanDerWaalsContact O-CE1 3.29Å; P121-Y149 WeakPolarHBondContact O-CE1 3.22Å; P121-Y149 PolarHBondContact O-OH 3.12Å; P140-Y149 HydrophobicContact CB-CD2 3.62Å; P140-Y149 HydrophobicContact CB-CE2 3.66Å; P140-Y149 HydrophobicContact CB-CG 4.11Å; P140-Y149 HydrophobicContact CG-CD1 4.49Å; P140-Y149 HydrophobicContact CG-CD2 3.97Å; P140-Y149 HydrophobicContact CG-CE2 4.46Å; P140-Y149 HydrophobicContact CG-CG 4.01Å; F145-Y149 HydrophobicContact CB-CD2 4.07Å; F145-Y149 HydrophobicContact CB-CE2 3.91Å; F145-Y149 WeakPolarHBondContact O-CD2 3.18Å; F145-Y149 PolarHBondContact O-N 3.16Å; Q146-Y149 CarbonylContact O-C 3.6Å; Q146-Y149 PolarHBondContact O-N 3.04Å; Q146-Y149 VanDerWaalsContact O-N 3.17Å; Y149-K151 PolarHBondContact O-N 2.85Å; Y149-Y154 WeakPolarHBondContact CA-OH 3.48Å; Y149-Y154 WeakPolarHBondContact CD1-OH 3.45Å; Y149-Y154 WeakPolarHBondContact O-CE2 3.5Å; Y149-Y154 PolarHBondContact O-OH 3.21Å; Y149-L174 HydrophobicContact CD1-CD1 4.2Å; Y149-L174 HydrophobicContact CG-CD1 4.43Å; Y149-F195 HydrophobicContact CE1-CE1 4.42Å; Y149-F195 HydrophobicContact CE1-CZ 4.33Å
150D88.4Confident89.1Confident35 Ų3546.6 Ų46.619%0.18723%0.231CC..THydrogen-bonded Turntrans-74.7-6.7177.2-68.5-1.4000113.9Q146 N148 S173 K175Q146-D150 PolarHBondContact NE2-OD1 2.6Å; Q146-D150 WeakPolarHBondContact O-CB 3.23Å; Q146-D150 VanDerWaalsContact O-CG 3.25Å; Q146-D150 PolarHBondContact O-N 3.22Å; N148-D150 PolarHBondContact O-N 3.25Å; D150-S173 WeakPolarHBondContact CA-OG 3.39Å; D150-S173 WeakPolarHBondContact O-CB 3.41Å; D150-S173 PolarHBondContact O-OG 2.62Å; D150-K175 HydrophobicContact CB-CB 4.34Å
151K86.6Confident88.9Confident115 Ų11549 Ų4950%0.525%0.249SC..THydrogen-bonded Turntrans-105.9-5.1178.5-73.8170-173.8176.10114.3E147 N148 Y149E147-K151 WeakPolarHBondContact O-CD 3.23Å; E147-K151 VanDerWaalsContact O-CG 3.24Å; E147-K151 WeakPolarHBondContact O-CG 3.08Å; N148-K151 PolarHBondContact O-N 3.05Å; Y149-K151 PolarHBondContact O-N 2.85Å
152I88.4Confident88.4Confident0 Ų052.6 Ų52.60%026%0.26CS..SBendtrans-98.3148.4-173.7-62156.5000109.8L90 I117 L120 N148 Y154 S173 F195 D197 L202L90-I152 HydrophobicContact CD2-CG1 4.45Å; I117-I152 HydrophobicContact CD1-CD1 3.25Å; I117-I152 HydrophobicContact CD1-CG1 3.45Å; I117-I152 VanDerWaalsContact CD1-CG1 3.45Å; I117-I152 HydrophobicContact CG1-CD1 4.06Å; L120-I152 HydrophobicContact CD2-CD1 4.24Å; N148-I152 WeakPolarHBondContact O-CD1 3.4Å; N148-I152 VanDerWaalsContact O-CG1 3.22Å; N148-I152 WeakPolarHBondContact O-CG1 3.38Å; I152-Y154 HydrophobicContact CB-CE2 3.84Å; I152-Y154 HydrophobicContact CG2-CE1 4.29Å; I152-Y154 HydrophobicContact CG2-CE2 4.07Å; I152-Y154 VanDerWaalsContact O-CD2 3.23Å; I152-Y154 WeakPolarHBondContact O-CD2 3.4Å; I152-Y154 WeakPolarHBondContact O-CE2 3.03Å; I152-S173 PolarHBondContact O-N 3.5Å; I152-F195 HydrophobicContact CD1-CE1 4.26Å; I152-F195 HydrophobicContact CG2-CD1 3.76Å; I152-F195 HydrophobicContact CG2-CE1 4.36Å; I152-D197 HydrophobicContact CG2-CB 4.33Å; I152-L202 HydrophobicContact CG2-CD2 4.22Å
153D89.8Confident87.7Confident40 Ų4053.9 Ų53.921%0.21427%0.273CS..EExtended strand (participates in β ladder)trans-90.2142.6169.7-69.3-17.1000111.5I171 H172 N196 D197D153-I171 WeakPolarHBondContact CA-O 2.9Å; D153-H172 WeakPolarHBondContact OD1-CA 3.45Å; D153-H172 IonicContact OD1-CE1 3.87Å; D153-H172 IonicContact OD1-CG 3.54Å; D153-H172 IonicContact OD1-ND1 2.71Å; D153-H172 PolarHBondContact OD1-ND1 3.38Å; D153-H172 IonicContact OD2-CE1 2.66Å; D153-H172 IonicContact OD2-ND1 3.82Å; D153-H172 PolarHBondContact OD2-ND1 2.02Å; D153-N196 WeakPolarHBondContact CB-O 3.48Å; D153-N196 CarbonylContact O-C 3.52Å; D153-N196 PolarHBondContact O-N 2.91Å; D153-D197 HydrophobicContact CB-CB 4.16Å
154Y91.6Very high87Confident1 Ų151 Ų510%0.00426%0.259CS..EExtended strand (participates in β ladder)trans-127.1158.6-174.6-63.1-86.6000111.1P123 Y149 I152 E170 I171 L174 I193 R194 F195P123-Y154 HydrophobicContact CG-CE1 4.06Å; Y149-Y154 WeakPolarHBondContact CA-OH 3.48Å; Y149-Y154 WeakPolarHBondContact CD1-OH 3.45Å; Y149-Y154 WeakPolarHBondContact O-CE2 3.5Å; Y149-Y154 PolarHBondContact O-OH 3.21Å; I152-Y154 HydrophobicContact CB-CE2 3.84Å; I152-Y154 HydrophobicContact CG2-CE1 4.29Å; I152-Y154 HydrophobicContact CG2-CE2 4.07Å; I152-Y154 VanDerWaalsContact O-CD2 3.23Å; I152-Y154 WeakPolarHBondContact O-CD2 3.4Å; I152-Y154 WeakPolarHBondContact O-CE2 3.03Å; Y154-E170 CarbonylContact O-C 3.53Å; Y154-E170 WeakPolarHBondContact O-CA 3.4Å; Y154-I171 PolarHBondContact N-O 3.17Å; Y154-I171 PolarHBondContact O-N 2.87Å; Y154-L174 HydrophobicContact CD1-CD2 4.32Å; Y154-L174 HydrophobicContact CD2-CD2 3.46Å; Y154-L174 VanDerWaalsContact CD2-CD2 3.46Å; Y154-L174 HydrophobicContact CD2-CG 4.08Å; Y154-L174 HydrophobicContact CE1-CD1 4.49Å; Y154-L174 HydrophobicContact CE1-CD2 4.24Å; Y154-L174 HydrophobicContact CE2-CD1 4.15Å; Y154-L174 HydrophobicContact CE2-CD2 3.38Å; Y154-L174 HydrophobicContact CE2-CG 3.47Å; Y154-L174 VanDerWaalsContact CE2-CG 3.47Å; Y154-L174 HydrophobicContact CG-CD2 3.95Å; Y154-I193 HydrophobicContact CD1-CD1 3.63Å; Y154-I193 HydrophobicContact CD1-CG1 3.94Å; Y154-I193 HydrophobicContact CE1-CD1 4.42Å; Y154-I193 HydrophobicContact CG-CD1 3.94Å; Y154-I193 HydrophobicContact CG-CG1 4.48Å; Y154-R194 WeakPolarHBondContact CA-O 3.48Å; Y154-F195 AromaticContact CD1-CD1 4Å; Y154-F195 HydrophobicContact CD1-CD1 4Å; Y154-F195 AromaticContact CE1-CD1 3.37Å; Y154-F195 HydrophobicContact CE1-CD1 3.37Å; Y154-F195 AromaticContact CE1-CE1 3.51Å; Y154-F195 HydrophobicContact CE1-CE1 3.51Å
155E92.3Very high86.7Confident15 Ų1552.1 Ų52.17%0.0727%0.272CS..EExtended strand (participates in β ladder)trans-129.3124.4170.4-176.2-173.2143.900109.2T168 I193 R194 N196 F206E155-T168 HydrophobicContact CG-CG2 3.39Å; E155-T168 VanDerWaalsContact OE1-CG2 3.28Å; E155-T168 WeakPolarHBondContact OE1-CG2 3.46Å; E155-I193 CarbonylContact O-C 3.58Å; E155-I193 WeakPolarHBondContact O-CA 3.41Å; E155-R194 HydrophobicContact CB-CG 3.84Å; E155-R194 PolarHBondContact N-O 2.88Å; E155-R194 PolarHBondContact O-N 3.43Å; E155-R194 IonicContact OE1-CZ 3.2Å; E155-R194 IonicContact OE1-NE 3.71Å; E155-R194 PolarHBondContact OE1-NE 2.83Å; E155-R194 IonicContact OE1-NH2 3.62Å; E155-R194 PolarHBondContact OE1-NH2 2.87Å; E155-R194 IonicContact OE2-CZ 2.76Å; E155-R194 IonicContact OE2-NE 2.71Å; E155-R194 PolarHBondContact OE2-NE 2.81Å; E155-R194 IonicContact OE2-NH2 3.56Å; E155-R194 PolarHBondContact OE2-NH2 3.02Å; E155-N196 HydrophobicContact CB-CB 3.66Å; E155-N196 PolarHBondContact OE2-ND2 2.89Å; E155-F206 HydrophobicContact CG-CZ 4.41Å
156L91.7Very high86.5Confident0 Ų054.5 Ų54.50%029%0.288CS..EExtended strand (participates in β ladder)trans-90.2144.2169.4-65.2172.5000110.3L136 F138 I158 T168 L169 I171 I179 V191 S192 I193L136-L156 HydrophobicContact CD1-CD1 3.37Å; L136-L156 HydrophobicContact CD1-CD2 4.17Å; L136-L156 HydrophobicContact CD1-CG 4.42Å; F138-L156 HydrophobicContact CE1-CD2 4.16Å; F138-L156 HydrophobicContact CZ-CD2 4.21Å; L156-I158 HydrophobicContact CB-CD1 3.84Å; L156-I158 HydrophobicContact CD1-CD1 4.45Å; L156-T168 WeakPolarHBondContact O-CA 3Å; L156-L169 HydrophobicContact CB-CB 4.33Å; L156-L169 HydrophobicContact CD1-CD2 4.22Å; L156-L169 PolarHBondContact N-O 3.39Å; L156-L169 PolarHBondContact O-N 2.83Å; L156-I171 HydrophobicContact CD1-CD1 3.66Å; L156-I171 HydrophobicContact CD1-CG1 4.07Å; L156-I171 HydrophobicContact CD2-CD1 4.08Å; L156-I171 HydrophobicContact CG-CD1 3.55Å; L156-I171 HydrophobicContact CG-CG1 4.13Å; L156-I179 HydrophobicContact CD1-CD1 3.7Å; L156-I179 HydrophobicContact CD1-CG2 4.45Å; L156-V191 HydrophobicContact CD2-CG1 3.86Å; L156-S192 CarbonylContact C-O 3.59Å; L156-S192 WeakPolarHBondContact CA-O 3.44Å; L156-I193 HydrophobicContact CD2-CB 4Å; L156-I193 HydrophobicContact CD2-CD1 4.21Å; L156-I193 HydrophobicContact CD2-CG1 4.3Å
157Q92.1Very high86.5Confident60 Ų6056.6 Ų56.628%0.2830%0.298SS..EExtended strand (participates in β ladder)trans-117.7113.6165.2-177.3178101.400108.7P166 E167 V191 S192 F206Q157-P166 HydrophobicContact CG-CB 3.57Å; Q157-P166 HydrophobicContact CG-CG 4.42Å; Q157-E167 WeakPolarHBondContact CA-O 3.39Å; Q157-V191 WeakPolarHBondContact O-CA 3.38Å; Q157-S192 PolarHBondContact N-O 2.82Å; Q157-S192 PolarHBondContact O-N 2.79Å; Q157-F206 HydrophobicContact CB-CD1 3.94Å; Q157-F206 HydrophobicContact CB-CE1 3.49Å; Q157-F206 VanDerWaalsContact CB-CE1 3.49Å; Q157-F206 HydrophobicContact CB-CZ 3.86Å
158I89.8Confident86.6Confident5 Ų553.4 Ų53.43%0.02629%0.288CS..EExtended strand (participates in β ladder)trans-103.6119.4177.7-57.895.3000108.9L156 P166 E167 L169 M181 Y189 V191L156-I158 HydrophobicContact CB-CD1 3.84Å; L156-I158 HydrophobicContact CD1-CD1 4.45Å; I158-P166 CarbonylContact O-C 3.58Å; I158-P166 WeakPolarHBondContact O-CA 3.43Å; I158-E167 PolarHBondContact N-O 2.8Å; I158-E167 PolarHBondContact O-N 3.2Å; I158-L169 HydrophobicContact CD1-CB 4.16Å; I158-M181 HydrophobicContact CD1-CE 4.02Å; I158-M181 HydrophobicContact CD1-SD 3.67Å; I158-M181 HydrophobicContact CG1-CE 4.3Å; I158-M181 HydrophobicContact CG1-SD 3.72Å; I158-Y189 HydrophobicContact CG2-CD1 4.07Å; I158-V191 HydrophobicContact CB-CG2 4.45Å; I158-V191 HydrophobicContact CG1-CG1 4.19Å; I158-V191 HydrophobicContact CG1-CG2 3.93Å; I158-V191 HydrophobicContact CG2-CG2 4.24Å
159K90.8Very high86.6Confident111 Ų11155.5 Ų55.548%0.48330%0.299SS..EExtended strand (participates in β ladder)trans-111.8117.2176.7-171.7172.7-175.4171.50110.6G164 C190K159-G164 WeakPolarHBondContact CE-O 3.5Å; K159-C190 PolarHBondContact N-O 3Å; K159-C190 PolarHBondContact O-N 2.88Å
160S89Confident86.6Confident11 Ų1159.7 Ų59.78%0.07732%0.319CS..EExtended strand (participates in β ladder)trans-88.2147.4169.796.40000111.4H162 T163 G164 N188S160-H162 PolarHBondContact O-N 3.25Å; S160-H162 PolarHBondContact OG-N 2.84Å; S160-T163 PolarHBondContact OG-N 2.97Å; S160-T163 VanDerWaalsContact OG-N 3.09Å; S160-T163 PolarHBondContact OG-OG1 2.95Å; S160-G164 PolarHBondContact O-N 3.28Å; S160-N188 WeakPolarHBondContact CA-O 2.94Å
161S85.1Confident86.5Confident78 Ų7858.6 Ų58.655%0.54531%0.313SS..THydrogen-bonded Turntrans-63.8-18.217758.20000114.8N188S161-N188 PolarHBondContact N-O 2.71Å; S161-N188 PolarHBondContact OG-N 3.26Å
162H78.3Confident86.3Confident134 Ų13459.3 Ų59.362%0.6232%0.318SS*.THydrogen-bonded Turntrans-99-42.6-174.6176.9-70.8000112.9S160 R187S160-H162 PolarHBondContact O-N 3.25Å; S160-H162 PolarHBondContact OG-N 2.84Å; H162-R187 PolarHBondContact CD2-NH2 2.89Å
163T73.8Confident85.8Confident78 Ų7860.5 Ų60.548%0.47933%0.326SS..THydrogen-bonded Turntrans-77.8-30.3-176.252.70000112.1S160 I165S160-T163 PolarHBondContact OG-N 2.97Å; S160-T163 VanDerWaalsContact OG-N 3.09Å; S160-T163 PolarHBondContact OG-OG1 2.95Å; T163-I165 PolarHBondContact O-N 2.91Å; T163-I165 PolarHBondContact OG1-O 2.76Å
164G70.6Confident85.3Confident42 Ų4259.2 Ų59.243%0.43332%0.319SS..  trans70.8-40.4-177.800000113.9K159 S160K159-G164 WeakPolarHBondContact CE-O 3.5Å; S160-G164 PolarHBondContact O-N 3.28Å
165I81.3Confident84.4Confident130 Ų13066.1 Ų66.167%0.66735%0.349SS*.SBendtrans-63.5126.3166.7-58168.1000108.5T163T163-I165 PolarHBondContact O-N 2.91Å; T163-I165 PolarHBondContact OG1-O 2.76Å
166P84.8Confident82.6Confident55 Ų5573.4 Ų73.436%0.35739%0.389SS..EExtended strand (participates in β ladder)trans-75141169.930.9-31.8000111Q157 I158Q157-P166 HydrophobicContact CG-CB 3.57Å; Q157-P166 HydrophobicContact CG-CG 4.42Å; I158-P166 CarbonylContact O-C 3.58Å; I158-P166 WeakPolarHBondContact O-CA 3.43Å
167E88Confident81.1Confident116 Ų11675.3 Ų75.354%0.54240%0.4SS..EExtended strand (participates in β ladder)trans-91.9140.3167-175.7174.5-172.800108.9Q157 I158Q157-E167 WeakPolarHBondContact CA-O 3.39Å; I158-E167 PolarHBondContact N-O 2.8Å; I158-E167 PolarHBondContact O-N 3.2Å
168T89.3Confident79.7Confident76 Ų7678.4 Ų78.447%0.46642%0.415SS..EExtended strand (participates in β ladder)trans-113.3133-179.7-670000109.7E155 L156E155-T168 HydrophobicContact CG-CG2 3.39Å; E155-T168 VanDerWaalsContact OE1-CG2 3.28Å; E155-T168 WeakPolarHBondContact OE1-CG2 3.46Å; L156-T168 WeakPolarHBondContact O-CA 3Å
169L87.6Confident78.5Confident63 Ų6379.1 Ų79.133%0.3342%0.418SS..EExtended strand (participates in β ladder)trans-128.4119.7175.9179.663.9000109.7L156 I158 I179L156-L169 HydrophobicContact CB-CB 4.33Å; L156-L169 HydrophobicContact CD1-CD2 4.22Å; L156-L169 PolarHBondContact N-O 3.39Å; L156-L169 PolarHBondContact O-N 2.83Å; I158-L169 HydrophobicContact CD1-CB 4.16Å; L169-I179 HydrophobicContact CD2-CG2 3.71Å
170E89.2Confident77.1Confident89 Ų8977 Ų7742%0.41642%0.415SS..EExtended strand (participates in β ladder)trans-78139.1170.5-64.3-174143.900109.6Y154 N196 R198Y154-E170 CarbonylContact O-C 3.53Å; Y154-E170 WeakPolarHBondContact O-CA 3.4Å; E170-N196 PolarHBondContact OE1-ND2 2.63Å; E170-R198 IonicContact OE1-CZ 2.63Å; E170-R198 IonicContact OE1-NE 2.78Å; E170-R198 IonicContact OE1-NH2 2.74Å; E170-R198 PolarHBondContact OE1-NH2 2.85Å; E170-R198 IonicContact OE2-NH2 3.42Å
171I86.3Confident76.2Confident11 Ų1178.1 Ų78.16%0.05642%0.419CS..EExtended strand (participates in β ladder)trans-127.4128.2176.2-37.8157.3000108.9F138 D153 Y154 L156 S173 T177 I179F138-I171 HydrophobicContact CE1-CD1 4.46Å; F138-I171 HydrophobicContact CE2-CD1 4.29Å; F138-I171 HydrophobicContact CZ-CD1 3.69Å; D153-I171 WeakPolarHBondContact CA-O 2.9Å; Y154-I171 PolarHBondContact N-O 3.17Å; Y154-I171 PolarHBondContact O-N 2.87Å; L156-I171 HydrophobicContact CD1-CD1 3.66Å; L156-I171 HydrophobicContact CD1-CG1 4.07Å; L156-I171 HydrophobicContact CD2-CD1 4.08Å; L156-I171 HydrophobicContact CG-CD1 3.55Å; L156-I171 HydrophobicContact CG-CG1 4.13Å; I171-S173 WeakPolarHBondContact CG2-O 3.46Å; I171-T177 HydrophobicContact CG2-CG2 3.87Å; I171-I179 HydrophobicContact CD1-CD1 3.34Å; I171-I179 HydrophobicContact CG1-CD1 3.59Å; I171-I179 HydrophobicContact CG2-CD1 4.09Å
172H82.4Confident75.6Confident131 Ų13180.1 Ų80.161%0.60642%0.423SS*.EExtended strand (participates in β ladder)trans-90.2119.8163.9-55.6-68.7000108.6D153D153-H172 WeakPolarHBondContact OD1-CA 3.45Å; D153-H172 IonicContact OD1-CE1 3.87Å; D153-H172 IonicContact OD1-CG 3.54Å; D153-H172 IonicContact OD1-ND1 2.71Å; D153-H172 PolarHBondContact OD1-ND1 3.38Å; D153-H172 IonicContact OD2-CE1 2.66Å; D153-H172 IonicContact OD2-ND1 3.82Å; D153-H172 PolarHBondContact OD2-ND1 2.02Å
173S78.1Confident75.6Confident25 Ų2574.5 Ų74.518%0.17540%0.398CS..  trans68.7146-179.7-163.60000117.4D150 I152 I171 K175 T177D150-S173 WeakPolarHBondContact CA-OG 3.39Å; D150-S173 WeakPolarHBondContact O-CB 3.41Å; D150-S173 PolarHBondContact O-OG 2.62Å; I152-S173 PolarHBondContact O-N 3.5Å; I171-S173 WeakPolarHBondContact CG2-O 3.46Å; S173-K175 VanDerWaalsContact C-N 3.29Å; S173-K175 VanDerWaalsContact OG-CB 3.24Å; S173-K175 WeakPolarHBondContact OG-CB 3.44Å; S173-K175 PolarHBondContact OG-N 2.82Å; S173-K175 VanDerWaalsContact OG-N 3.12Å; S173-T177 PolarHBondContact O-OG1 3.1Å
174L80.2Confident75.8Confident13 Ų1374 Ų747%0.06840%0.395CS..SBendtrans-85.81.1166.9-53.1-172.5000113.4P123 F138 P140 Y149 Y154 N176 T177 I193P123-L174 HydrophobicContact CB-CD1 3.81Å; P123-L174 HydrophobicContact CG-CD1 3.8Å; F138-L174 HydrophobicContact CB-CB 4.37Å; F138-L174 HydrophobicContact CB-CD1 3.93Å; F138-L174 HydrophobicContact CB-CD2 4.24Å; F138-L174 HydrophobicContact CB-CG 4.42Å; F138-L174 HydrophobicContact CD1-CD2 4.05Å; F138-L174 HydrophobicContact CD2-CB 4.42Å; F138-L174 HydrophobicContact CD2-CD2 3.87Å; F138-L174 HydrophobicContact CE1-CD2 4.42Å; F138-L174 HydrophobicContact CE2-CD2 4.26Å; F138-L174 HydrophobicContact CG-CD1 4.35Å; F138-L174 HydrophobicContact CG-CD2 3.76Å; F138-L174 HydrophobicContact CG-CG 4.44Å; P140-L174 HydrophobicContact CG-CD1 4.47Å; Y149-L174 HydrophobicContact CD1-CD1 4.2Å; Y149-L174 HydrophobicContact CG-CD1 4.43Å; Y154-L174 HydrophobicContact CD1-CD2 4.32Å; Y154-L174 HydrophobicContact CD2-CD2 3.46Å; Y154-L174 VanDerWaalsContact CD2-CD2 3.46Å; Y154-L174 HydrophobicContact CD2-CG 4.08Å; Y154-L174 HydrophobicContact CE1-CD1 4.49Å; Y154-L174 HydrophobicContact CE1-CD2 4.24Å; Y154-L174 HydrophobicContact CE2-CD1 4.15Å; Y154-L174 HydrophobicContact CE2-CD2 3.38Å; Y154-L174 HydrophobicContact CE2-CG 3.47Å; Y154-L174 VanDerWaalsContact CE2-CG 3.47Å; Y154-L174 HydrophobicContact CG-CD2 3.95Å; L174-N176 PolarHBondContact O-N 2.9Å; L174-T177 WeakPolarHBondContact CA-OG1 3.39Å; L174-T177 PolarHBondContact O-OG1 2.81Å; L174-I193 HydrophobicContact CD2-CD1 4.47Å
175K71.3Confident76.3Confident146 Ų14675.3 Ų75.364%0.63540%0.396SS*.THydrogen-bonded Turntrans-75.6121.6-175.1-168.6172.6-176.4174.90111.3D150 S173 T177D150-K175 HydrophobicContact CB-CB 4.34Å; S173-K175 VanDerWaalsContact C-N 3.29Å; S173-K175 VanDerWaalsContact OG-CB 3.24Å; S173-K175 WeakPolarHBondContact OG-CB 3.44Å; S173-K175 PolarHBondContact OG-N 2.82Å; S173-K175 VanDerWaalsContact OG-N 3.12Å; K175-T177 PolarHBondContact O-N 2.95Å; K175-T177 VanDerWaalsContact O-N 3.09Å
176N55.5Low76.4Confident168 Ų16871.5 Ų71.590%0.89839%0.388SS*.THydrogen-bonded Turntrans59.610.7177.6-96.815.5000116.4L174 E178L174-N176 PolarHBondContact O-N 2.9Å; N176-E178 PolarHBondContact O-N 3.03Å
177T59.5Low76.4Confident39 Ų3971.6 Ų71.624%0.23938%0.381CS..  trans-81.573.2-174.819.60000113.2I171 S173 L174 K175 I179I171-T177 HydrophobicContact CG2-CG2 3.87Å; S173-T177 PolarHBondContact O-OG1 3.1Å; L174-T177 WeakPolarHBondContact CA-OG1 3.39Å; L174-T177 PolarHBondContact O-OG1 2.81Å; K175-T177 PolarHBondContact O-N 2.95Å; K175-T177 VanDerWaalsContact O-N 3.09Å; T177-I179 HydrophobicContact CG2-CD1 4.41Å; T177-I179 HydrophobicContact CG2-CG1 4.02Å; T177-I179 PolarHBondContact O-N 3.01Å
178E62.4Low76.5Confident126 Ų12669.8 Ų69.859%0.58938%0.375SS*.  trans-69.485.6151.3-172.9171.8-13000107.4C130 C135 N176 V180C130-E178 PolarHBondContact SG-OE1 3.21Å; C135-E178 HydrophobicContact CB-CG 4.17Å; C135-E178 PolarHBondContact SG-OE1 2.83Å; N176-E178 PolarHBondContact O-N 3.03Å; E178-V180 HydrophobicContact CG-CG2 4.27Å; E178-V180 PolarHBondContact O-N 2.9Å
179I64.3Low76.5Confident19 Ų1967.3 Ų67.310%0.09736%0.357CS..EExtended strand (participates in β ladder)trans-71.9119-178.9-66.9167.7000108.3L136 F138 L156 L169 I171 T177 M181L136-I179 HydrophobicContact CB-CB 4.28Å; L136-I179 HydrophobicContact CD1-CB 4.08Å; L136-I179 HydrophobicContact CD1-CD1 4.38Å; L136-I179 HydrophobicContact CD1-CG2 4.17Å; L136-I179 HydrophobicContact CG-CB 4.33Å; F138-I179 HydrophobicContact CE2-CD1 3.96Å; F138-I179 HydrophobicContact CZ-CD1 3.94Å; L156-I179 HydrophobicContact CD1-CD1 3.7Å; L156-I179 HydrophobicContact CD1-CG2 4.45Å; L169-I179 HydrophobicContact CD2-CG2 3.71Å; I171-I179 HydrophobicContact CD1-CD1 3.34Å; I171-I179 HydrophobicContact CG1-CD1 3.59Å; I171-I179 HydrophobicContact CG2-CD1 4.09Å; T177-I179 HydrophobicContact CG2-CD1 4.41Å; T177-I179 HydrophobicContact CG2-CG1 4.02Å; T177-I179 PolarHBondContact O-N 3.01Å; I179-M181 HydrophobicContact CG2-CG 4.33Å
180V61.8Low76.7Confident68 Ų6866 Ų6641%0.41235%0.353SS..EExtended strand (participates in β ladder)trans-108.9104.2-169.2154.90000109.3K133 L134 E178K133-V180 HydrophobicContact CB-CG1 4.11Å; K133-V180 HydrophobicContact CD-CG1 3.32Å; K133-V180 HydrophobicContact CG-CG1 3.78Å; K133-V180 VanDerWaalsContact NZ-CG1 3.28Å; L134-V180 WeakPolarHBondContact O-CA 3.34Å; E178-V180 HydrophobicContact CG-CG2 4.27Å; E178-V180 PolarHBondContact O-N 2.9Å
181M70.1Confident76.8Confident34 Ų3461.8 Ų61.817%0.16733%0.334CS..EExtended strand (participates in β ladder)trans-112.2135.2172.7-60.2-176.981.300109.6K133 L134 I158 I179 L183K133-M181 CarbonylContact C-O 3.54Å; K133-M181 VanDerWaalsContact CA-O 3.27Å; K133-M181 WeakPolarHBondContact CA-O 3.46Å; L134-M181 HydrophobicContact CB-CB 4.27Å; L134-M181 PolarHBondContact N-O 2.84Å; I158-M181 HydrophobicContact CD1-CE 4.02Å; I158-M181 HydrophobicContact CD1-SD 3.67Å; I158-M181 HydrophobicContact CG1-CE 4.3Å; I158-M181 HydrophobicContact CG1-SD 3.72Å; I179-M181 HydrophobicContact CG2-CG 4.33Å; M181-L183 PolarHBondContact O-N 3.18Å
182D72.6Confident77.2Confident119 Ų11961.6 Ų61.664%0.63633%0.333SS*.EExtended strand (participates in β ladder)trans-69.1129179.2-71.3-42.2000111.3K133K133-D182 WeakPolarHBondContact CE-OD1 3.25Å; K133-D182 WeakPolarHBondContact CG-OD1 3.2Å
183L78.2Confident77.6Confident17 Ų1755.3 Ų55.39%0.08930%0.304CS..PPolyproline II helixtrans-93.6135.2-176.3-66.2173.1000111.1T132 K133 L134 M181 P185 Y189 I214T132-L183 WeakPolarHBondContact O-CB 3.44Å; T132-L183 PolarHBondContact O-N 2.65Å; K133-L183 WeakPolarHBondContact O-CD1 3.29Å; L134-L183 HydrophobicContact CB-CD2 3.83Å; L134-L183 HydrophobicContact CB-CG 4.27Å; L134-L183 HydrophobicContact CD1-CD2 3.99Å; L134-L183 HydrophobicContact CG-CD2 4.43Å; M181-L183 PolarHBondContact O-N 3.18Å; L183-P185 WeakPolarHBondContact O-CD 3.43Å; L183-Y189 HydrophobicContact CD2-CD1 4.5Å; L183-Y189 HydrophobicContact CD2-CD2 3.82Å; L183-Y189 HydrophobicContact CD2-CE1 4.34Å; L183-Y189 HydrophobicContact CD2-CE2 3.64Å; L183-Y189 HydrophobicContact CD2-CG 4.24Å; L183-I214 HydrophobicContact CB-CG1 4.43Å; L183-I214 HydrophobicContact CB-CG2 4.48Å; L183-I214 HydrophobicContact CD1-CD1 3.58Å; L183-I214 HydrophobicContact CD1-CG1 3.93Å; L183-I214 HydrophobicContact CD1-CG2 4.49Å; L183-I214 HydrophobicContact CD2-CD1 4.25Å; L183-I214 HydrophobicContact CD2-CG1 4.01Å; L183-I214 HydrophobicContact CG-CD1 4.46Å; L183-I214 HydrophobicContact CG-CG1 4.36Å
184V79.4Confident78.4Confident67 Ų6757.1 Ų57.141%0.40631%0.307SS..PPolyproline II helixtrans-90.5120165.7-176.20000108.3R187 Y189V184-R187 HydrophobicContact CB-CG 4.32Å; V184-R187 HydrophobicContact CG1-CG 4.37Å; V184-Y189 PolarHBondContact N-OH 2.85Å
185P80.9Confident79Confident70 Ų7056.9 Ų56.946%0.45531%0.306SS..THydrogen-bonded Turntrans-53146175.9-32.139.7000113.9L183 P217L183-P185 WeakPolarHBondContact O-CD 3.43Å; P185-P217 HydrophobicContact CB-CG 4.33Å
186G82Confident79.9Confident49 Ų4951 Ų5151%0.50528%0.281SS..THydrogen-bonded Turntrans76.821.7177.700000114.8I214 P215G186-I214 WeakPolarHBondContact CA-O 3.24Å; G186-I214 PolarHBondContact N-O 3.25Å; G186-P215 PolarHBondContact N-O 3.2Å
187R85.9Confident81.5Confident58 Ų5843.5 Ų43.522%0.21924%0.241CC..  trans-122.2152.2179.4-58.9-164.9-176.7-156.7-11.7111.9H162 V184 Y189 I214H162-R187 PolarHBondContact CD2-NH2 2.89Å; V184-R187 HydrophobicContact CB-CG 4.32Å; V184-R187 HydrophobicContact CG1-CG 4.37Å; R187-Y189 HydrophobicContact CB-CD2 4.32Å; R187-Y189 HydrophobicContact CB-CE2 3.72Å; R187-I214 PolarHBondContact N-O 3.41Å; R187-I214 PolarHBondContact O-N 2.96Å
188N89.3Confident82.7Confident78 Ų7849.8 Ų49.842%0.41726%0.26SS..EExtended strand (participates in β ladder)trans-98.8134.2170-55.9-18.1000108.6S160 S161 I212 S213S160-N188 WeakPolarHBondContact CA-O 2.94Å; S161-N188 PolarHBondContact N-O 2.71Å; S161-N188 PolarHBondContact OG-N 3.26Å; N188-I212 WeakPolarHBondContact CA-O 3.05Å; N188-S213 WeakPolarHBondContact OD1-CA 3.44Å; N188-S213 VanDerWaalsContact OD1-CB 3.28Å; N188-S213 WeakPolarHBondContact OD1-CB 3.38Å; N188-S213 PolarHBondContact OD1-OG 3.25Å; N188-S213 VanDerWaalsContact OD1-OG 3.04Å
189Y89.6Confident83.6Confident23 Ų2349.9 Ų49.99%0.0927%0.269CS..EExtended strand (participates in β ladder)trans-118.8129.8176.2-68.8-97.1000108.4I158 L183 V184 R187 C211 I212 I214I158-Y189 HydrophobicContact CG2-CD1 4.07Å; L183-Y189 HydrophobicContact CD2-CD1 4.5Å; L183-Y189 HydrophobicContact CD2-CD2 3.82Å; L183-Y189 HydrophobicContact CD2-CE1 4.34Å; L183-Y189 HydrophobicContact CD2-CE2 3.64Å; L183-Y189 HydrophobicContact CD2-CG 4.24Å; V184-Y189 PolarHBondContact N-OH 2.85Å; R187-Y189 HydrophobicContact CB-CD2 4.32Å; R187-Y189 HydrophobicContact CB-CE2 3.72Å; Y189-C211 CarbonylContact O-C 3.59Å; Y189-C211 VanDerWaalsContact O-CA 3.26Å; Y189-C211 WeakPolarHBondContact O-CA 3.26Å; Y189-I212 PolarHBondContact N-O 2.82Å; Y189-I212 PolarHBondContact O-N 2.82Å; Y189-I214 HydrophobicContact CD2-CG1 3.85Å; Y189-I214 HydrophobicContact CE2-CG1 4.01Å
190C91.6Very high84.3Confident36 Ų3650 Ų5024%0.24327%0.272CS..EExtended strand (participates in β ladder)trans-119130.1173.7-69.30000108.8K159 P209 E210 C211K159-C190 PolarHBondContact N-O 3Å; K159-C190 PolarHBondContact O-N 2.88Å; C190-P209 HydrophobicContact CB-CB 4.23Å; C190-E210 CarbonylContact C-O 3.56Å; C190-E210 WeakPolarHBondContact CA-O 3.09Å; C190-C211 HydrophobicContact CB-CB 4.13Å; C190-C211 WeakPolarHBondContact CB-SG 3.37Å; C190-C211 WeakPolarHBondContact SG-CB 3.2Å; C190-C211 CovalentContact SG-SG 2.04Å; C190-C211 PolarHBondContact SG-SG 2.98Å
191V91.9Very high85.4Confident0 Ų053.9 Ų53.90%029%0.29CS..EExtended strand (participates in β ladder)trans-122.9131.2-177.3-174.20000110.2L125 V127 L134 L136 L156 Q157 I158 P209 E210L125-V191 HydrophobicContact CD2-CB 3.74Å; L125-V191 HydrophobicContact CD2-CG1 3.56Å; V127-V191 HydrophobicContact CG2-CB 4.32Å; L134-V191 HydrophobicContact CD2-CG2 3.84Å; L136-V191 HydrophobicContact CD1-CG1 4.12Å; L136-V191 HydrophobicContact CD2-CB 4.42Å; L136-V191 HydrophobicContact CD2-CG1 4.29Å; L136-V191 HydrophobicContact CD2-CG2 4.2Å; L156-V191 HydrophobicContact CD2-CG1 3.86Å; Q157-V191 WeakPolarHBondContact O-CA 3.38Å; I158-V191 HydrophobicContact CB-CG2 4.45Å; I158-V191 HydrophobicContact CG1-CG1 4.19Å; I158-V191 HydrophobicContact CG1-CG2 3.93Å; I158-V191 HydrophobicContact CG2-CG2 4.24Å; V191-P209 CarbonylContact O-C 3.58Å; V191-P209 WeakPolarHBondContact O-CA 3.49Å; V191-E210 PolarHBondContact N-O 2.95Å; V191-E210 PolarHBondContact O-N 2.04Å
192S93.3Very high86.2Confident7 Ų753 Ų535%0.04929%0.286CS..EExtended strand (participates in β ladder)trans-123.9156.9168.755.70000110.6L156 Q157 S207L156-S192 CarbonylContact C-O 3.59Å; L156-S192 WeakPolarHBondContact CA-O 3.44Å; Q157-S192 PolarHBondContact N-O 2.82Å; Q157-S192 PolarHBondContact O-N 2.79Å; S192-S207 WeakPolarHBondContact CA-OG 3.28Å; S192-S207 WeakPolarHBondContact CB-O 3.49Å; S192-S207 WeakPolarHBondContact CB-OG 3.28Å
193I92.7Very high87.1Confident0 Ų051.2 Ų51.20%028%0.283CS..EExtended strand (participates in β ladder)trans-124.7144.9-178.6-178.3157.5000110.8P123 F138 Y154 E155 L156 L174 F206 S207P123-I193 HydrophobicContact CG-CD1 4.12Å; F138-I193 HydrophobicContact CD1-CD1 3.8Å; F138-I193 HydrophobicContact CE1-CD1 3.37Å; F138-I193 HydrophobicContact CZ-CD1 4.25Å; Y154-I193 HydrophobicContact CD1-CD1 3.63Å; Y154-I193 HydrophobicContact CD1-CG1 3.94Å; Y154-I193 HydrophobicContact CE1-CD1 4.42Å; Y154-I193 HydrophobicContact CG-CD1 3.94Å; Y154-I193 HydrophobicContact CG-CG1 4.48Å; E155-I193 CarbonylContact O-C 3.58Å; E155-I193 WeakPolarHBondContact O-CA 3.41Å; L156-I193 HydrophobicContact CD2-CB 4Å; L156-I193 HydrophobicContact CD2-CD1 4.21Å; L156-I193 HydrophobicContact CD2-CG1 4.3Å; L174-I193 HydrophobicContact CD2-CD1 4.47Å; I193-F206 CarbonylContact O-C 3.59Å; I193-S207 PolarHBondContact N-OG 2.86Å; I193-S207 WeakPolarHBondContact O-CB 3.33Å; I193-S207 PolarHBondContact O-N 2.92Å
194R93.2Very high87.7Confident62 Ų6251.8 Ų51.823%0.23429%0.289CS..EExtended strand (participates in β ladder)trans-129.1160.1164.165.4173.3175.1-163.9-4.2111.4Y154 E155 S204 F206Y154-R194 WeakPolarHBondContact CA-O 3.48Å; E155-R194 HydrophobicContact CB-CG 3.84Å; E155-R194 PolarHBondContact N-O 2.88Å; E155-R194 PolarHBondContact O-N 3.43Å; E155-R194 IonicContact OE1-CZ 3.2Å; E155-R194 IonicContact OE1-NE 3.71Å; E155-R194 PolarHBondContact OE1-NE 2.83Å; E155-R194 IonicContact OE1-NH2 3.62Å; E155-R194 PolarHBondContact OE1-NH2 2.87Å; E155-R194 IonicContact OE2-CZ 2.76Å; E155-R194 IonicContact OE2-NE 2.71Å; E155-R194 PolarHBondContact OE2-NE 2.81Å; E155-R194 IonicContact OE2-NH2 3.56Å; E155-R194 PolarHBondContact OE2-NH2 3.02Å; R194-S204 WeakPolarHBondContact CB-O 3.39Å; R194-S204 WeakPolarHBondContact CB-OG 3.36Å; R194-S204 VanDerWaalsContact CD-O 3.26Å; R194-S204 WeakPolarHBondContact CD-O 3.26Å; R194-F206 HydrophobicContact CB-CD1 4Å; R194-F206 HydrophobicContact CB-CE1 4.2Å; R194-F206 HydrophobicContact CB-CG 4.32Å; R194-F206 HydrophobicContact CG-CD1 4Å; R194-F206 HydrophobicContact CG-CE1 3.67Å; R194-F206 HydrophobicContact CG-CE2 4.4Å; R194-F206 HydrophobicContact CG-CG 4.5Å; R194-F206 HydrophobicContact CG-CZ 3.9Å
195F92.8Very high88.4Confident8 Ų855.5 Ų55.54%0.03531%0.306CS..EExtended strand (participates in β ladder)trans-68.3136.8159.3-61.2-61.1000108.7L120 L122 Y149 I152 Y154 L202 S203 S204L120-F195 WeakPolarHBondContact O-CE2 3.49Å; L122-F195 HydrophobicContact CD2-CD1 4.38Å; L122-F195 HydrophobicContact CD2-CD2 3.82Å; L122-F195 HydrophobicContact CD2-CE1 4.48Å; L122-F195 HydrophobicContact CD2-CE2 3.93Å; L122-F195 HydrophobicContact CD2-CG 4.06Å; L122-F195 HydrophobicContact CD2-CZ 4.27Å; L122-F195 HydrophobicContact CG-CD2 4.12Å; L122-F195 HydrophobicContact CG-CE2 3.86Å; L122-F195 HydrophobicContact CG-CZ 4.35Å; Y149-F195 HydrophobicContact CE1-CE1 4.42Å; Y149-F195 HydrophobicContact CE1-CZ 4.33Å; I152-F195 HydrophobicContact CD1-CE1 4.26Å; I152-F195 HydrophobicContact CG2-CD1 3.76Å; I152-F195 HydrophobicContact CG2-CE1 4.36Å; Y154-F195 AromaticContact CD1-CD1 4Å; Y154-F195 HydrophobicContact CD1-CD1 4Å; Y154-F195 AromaticContact CE1-CD1 3.37Å; Y154-F195 HydrophobicContact CE1-CD1 3.37Å; Y154-F195 AromaticContact CE1-CE1 3.51Å; Y154-F195 HydrophobicContact CE1-CE1 3.51Å; F195-L202 HydrophobicContact CB-CD2 3.81Å; F195-L202 HydrophobicContact CB-CG 3.9Å; F195-L202 HydrophobicContact CD1-CD2 4.22Å; F195-L202 HydrophobicContact CD2-CD2 4.37Å; F195-L202 HydrophobicContact CG-CD2 3.92Å; F195-L202 HydrophobicContact CG-CG 4.39Å; F195-S203 WeakPolarHBondContact O-CA 3.35Å; F195-S204 PolarHBondContact N-OG 3.02Å; F195-S204 PolarHBondContact O-N 2.88Å
196N91.9Very high89Confident24 Ų2454.9 Ų54.913%0.12830%0.296CS..EExtended strand (participates in β ladder)trans-149.755.2179.2-169.651.8000110.9D153 E155 E170 L202D153-N196 WeakPolarHBondContact CB-O 3.48Å; D153-N196 CarbonylContact O-C 3.52Å; D153-N196 PolarHBondContact O-N 2.91Å; E155-N196 HydrophobicContact CB-CB 3.66Å; E155-N196 PolarHBondContact OE2-ND2 2.89Å; E170-N196 PolarHBondContact OE1-ND2 2.63Å; N196-L202 WeakPolarHBondContact CA-O 3.36Å
197D87.9Confident89.6Confident9 Ų953.9 Ų53.95%0.04828%0.282CS..EExtended strand (participates in β ladder)trans-91.4108.9176.1169.84.7000110.1I152 D153 V199 S200 N201 L202I152-D197 HydrophobicContact CG2-CB 4.33Å; D153-D197 HydrophobicContact CB-CB 4.16Å; D197-V199 WeakPolarHBondContact OD1-CA 3.4Å; D197-V199 WeakPolarHBondContact OD1-CB 3.36Å; D197-V199 PolarHBondContact OD1-N 2.78Å; D197-S200 PolarHBondContact OD1-N 3.42Å; D197-S200 WeakPolarHBondContact OD2-CB 3.27Å; D197-S200 PolarHBondContact OD2-OG 3.31Å; D197-N201 WeakPolarHBondContact O-CA 3.39Å; D197-N201 PolarHBondContact O-N 2.74Å; D197-N201 VanDerWaalsContact O-N 3.17Å; D197-L202 HydrophobicContact CB-CB 4.27Å; D197-L202 PolarHBondContact N-O 2.99Å; D197-L202 PolarHBondContact O-N 3.18Å
198R84.6Confident89.9Confident171 Ų17162.1 Ų62.165%0.64531%0.313SS*.THydrogen-bonded Turntrans-73.4-33-180-55.9-174.1-171.7-160.27.5112.4E170 N201E170-R198 IonicContact OE1-CZ 2.63Å; E170-R198 IonicContact OE1-NE 2.78Å; E170-R198 IonicContact OE1-NH2 2.74Å; E170-R198 PolarHBondContact OE1-NH2 2.85Å; E170-R198 IonicContact OE2-NH2 3.42Å; R198-N201 PolarHBondContact O-N 3.04Å
199V82Confident90.1Very high129 Ų12962 Ų6278%0.78232%0.317SS*.THydrogen-bonded Turntrans-65.8-45.7-179.8-178.40000109.5D197D197-V199 WeakPolarHBondContact OD1-CA 3.4Å; D197-V199 WeakPolarHBondContact OD1-CB 3.36Å; D197-V199 PolarHBondContact OD1-N 2.78Å
200S78.6Confident90.2Very high21 Ų2165.6 Ų65.615%0.14733%0.334CS..THydrogen-bonded Turntrans-86.1-2.5179.4-53.30000113.9K115 D197 L202K115-S200 PolarHBondContact NZ-O 3.17Å; D197-S200 PolarHBondContact OD1-N 3.42Å; D197-S200 WeakPolarHBondContact OD2-CB 3.27Å; D197-S200 PolarHBondContact OD2-OG 3.31Å; S200-L202 VanDerWaalsContact C-N 3.28Å; S200-L202 PolarHBondContact O-N 3.48Å
201N84.4Confident90.2Very high149 Ų14967.3 Ų67.380%0.79735%0.345SS*.THydrogen-bonded Turntrans50.745.5-167.5-67-77.9000112.7D197 R198D197-N201 WeakPolarHBondContact O-CA 3.39Å; D197-N201 PolarHBondContact O-N 2.74Å; D197-N201 VanDerWaalsContact O-N 3.17Å; R198-N201 PolarHBondContact O-N 3.04Å
202L87.9Confident90.1Very high16 Ų1668.8 Ų68.88%0.08435%0.353CS..EExtended strand (participates in β ladder)trans-105.6110.5176178.375.1000110.1I117 I152 F195 N196 D197 S200I117-L202 HydrophobicContact CD1-CD2 3.4Å; I117-L202 HydrophobicContact CG1-CD2 3.66Å; I152-L202 HydrophobicContact CG2-CD2 4.22Å; F195-L202 HydrophobicContact CB-CD2 3.81Å; F195-L202 HydrophobicContact CB-CG 3.9Å; F195-L202 HydrophobicContact CD1-CD2 4.22Å; F195-L202 HydrophobicContact CD2-CD2 4.37Å; F195-L202 HydrophobicContact CG-CD2 3.92Å; F195-L202 HydrophobicContact CG-CG 4.39Å; N196-L202 WeakPolarHBondContact CA-O 3.36Å; D197-L202 HydrophobicContact CB-CB 4.27Å; D197-L202 PolarHBondContact N-O 2.99Å; D197-L202 PolarHBondContact O-N 3.18Å; S200-L202 VanDerWaalsContact C-N 3.28Å; S200-L202 PolarHBondContact O-N 3.48Å
203S90Very high89.9Confident81 Ų8172.5 Ų72.557%0.56638%0.379SS*.EExtended strand (participates in β ladder)trans-128.1140.2170.7-166.10000110.4F195F195-S203 WeakPolarHBondContact O-CA 3.35Å
204S92.1Very high89.7Confident30 Ų3073.3 Ų73.321%0.2138%0.383CS..  trans-121.4166.1174.776.40000112.3R194 F195R194-S204 WeakPolarHBondContact CB-O 3.39Å; R194-S204 WeakPolarHBondContact CB-OG 3.36Å; R194-S204 VanDerWaalsContact CD-O 3.26Å; R194-S204 WeakPolarHBondContact CD-O 3.26Å; F195-S204 PolarHBondContact N-OG 3.02Å; F195-S204 PolarHBondContact O-N 2.88Å
205N93.6Very high89Confident145 Ų14575.2 Ų75.278%0.77540%0.403SS*.PPolyproline II helixtrans-61.7154.4159.5-70.9-67.7000110.2
206F93.4Very high88.2Confident56 Ų5676.3 Ų76.325%0.24642%0.417CS..PPolyproline II helixtrans-64.9146.7171.9-76.6-79.4000111.5E155 Q157 I193 R194E155-F206 HydrophobicContact CG-CZ 4.41Å; Q157-F206 HydrophobicContact CB-CD1 3.94Å; Q157-F206 HydrophobicContact CB-CE1 3.49Å; Q157-F206 VanDerWaalsContact CB-CE1 3.49Å; Q157-F206 HydrophobicContact CB-CZ 3.86Å; I193-F206 CarbonylContact O-C 3.59Å; R194-F206 HydrophobicContact CB-CD1 4Å; R194-F206 HydrophobicContact CB-CE1 4.2Å; R194-F206 HydrophobicContact CB-CG 4.32Å; R194-F206 HydrophobicContact CG-CD1 4Å; R194-F206 HydrophobicContact CG-CE1 3.67Å; R194-F206 HydrophobicContact CG-CE2 4.4Å; R194-F206 HydrophobicContact CG-CG 4.5Å; R194-F206 HydrophobicContact CG-CZ 3.9Å
207S94.3Very high87Confident29 Ų2980 Ų8020%0.20344%0.442CS..PPolyproline II helixtrans-59.7168.9170.473.60000111.5S192 I193S192-S207 WeakPolarHBondContact CA-OG 3.28Å; S192-S207 WeakPolarHBondContact CB-O 3.49Å; S192-S207 WeakPolarHBondContact CB-OG 3.28Å; I193-S207 PolarHBondContact N-OG 2.86Å; I193-S207 WeakPolarHBondContact O-CB 3.33Å; I193-S207 PolarHBondContact O-N 2.92Å
208R93.1Very high85.9Confident231 Ų23186.7 Ų86.787%0.87247%0.472SS*.PPolyproline II helixtrans-58138.3160.6-66.3-177.6-179.9178.20.6108.5
209P92.6Very high84.9Confident76 Ų7681.6 Ų81.649%0.49446%0.462SS..PPolyproline II helixtrans-75.8131.4179.629.7-33.4000110.4C190 V191C190-P209 HydrophobicContact CB-CB 4.23Å; V191-P209 CarbonylContact O-C 3.58Å; V191-P209 WeakPolarHBondContact O-CA 3.49Å
210E92.8Very high84Confident98 Ų9879.4 Ų79.446%0.45845%0.453SS..EExtended strand (participates in β ladder)trans-97.6130172.3-166.665.8-165.400108.5V127 C190 V191V127-E210 HydrophobicContact CB-CG 4.23Å; V127-E210 HydrophobicContact CG2-CB 3.73Å; V127-E210 HydrophobicContact CG2-CG 3.82Å; C190-E210 CarbonylContact C-O 3.56Å; C190-E210 WeakPolarHBondContact CA-O 3.09Å; V191-E210 PolarHBondContact N-O 2.95Å; V191-E210 PolarHBondContact O-N 2.04Å
211C91.8Very high83.6Confident71 Ų7183.9 Ų83.948%0.4848%0.475SS..EExtended strand (participates in β ladder)trans-123.5138.6-166.6-58.70000113.1Y189 C190Y189-C211 CarbonylContact O-C 3.59Å; Y189-C211 VanDerWaalsContact O-CA 3.26Å; Y189-C211 WeakPolarHBondContact O-CA 3.26Å; C190-C211 HydrophobicContact CB-CB 4.13Å; C190-C211 WeakPolarHBondContact CB-SG 3.37Å; C190-C211 WeakPolarHBondContact SG-CB 3.2Å; C190-C211 CovalentContact SG-SG 2.04Å; C190-C211 PolarHBondContact SG-SG 2.98Å
212I90.3Very high83.2Confident32 Ų3279.2 Ų79.216%0.16446%0.457CS..EExtended strand (participates in β ladder)trans-127.1142.5173.7-167169.4000111.2V127 L134 N188 Y189 I214V127-I212 HydrophobicContact CG1-CB 4.23Å; V127-I212 HydrophobicContact CG1-CG2 3.75Å; L134-I212 HydrophobicContact CD1-CG2 3.71Å; N188-I212 WeakPolarHBondContact CA-O 3.05Å; Y189-I212 PolarHBondContact N-O 2.82Å; Y189-I212 PolarHBondContact O-N 2.82Å; I212-I214 HydrophobicContact CD1-CD1 4.3Å; I212-I214 HydrophobicContact CG1-CD1 4.2Å; I212-I214 HydrophobicContact CG2-CD1 3.97Å
213S89Confident82.7Confident84 Ų8481.6 Ų81.659%0.58747%0.472SS*.EExtended strand (participates in β ladder)trans-101118.5172.9-56.30000109.8N188N188-S213 WeakPolarHBondContact OD1-CA 3.44Å; N188-S213 VanDerWaalsContact OD1-CB 3.28Å; N188-S213 WeakPolarHBondContact OD1-CB 3.38Å; N188-S213 PolarHBondContact OD1-OG 3.25Å; N188-S213 VanDerWaalsContact OD1-OG 3.04Å
214I86.6Confident82.4Confident17 Ų1782.4 Ų82.49%0.08747%0.473CS..PPolyproline II helixtrans-87.1122.3177.3-51.8-50000108.4L183 G186 R187 Y189 I212L183-I214 HydrophobicContact CB-CG1 4.43Å; L183-I214 HydrophobicContact CB-CG2 4.48Å; L183-I214 HydrophobicContact CD1-CD1 3.58Å; L183-I214 HydrophobicContact CD1-CG1 3.93Å; L183-I214 HydrophobicContact CD1-CG2 4.49Å; L183-I214 HydrophobicContact CD2-CD1 4.25Å; L183-I214 HydrophobicContact CD2-CG1 4.01Å; L183-I214 HydrophobicContact CG-CD1 4.46Å; L183-I214 HydrophobicContact CG-CG1 4.36Å; G186-I214 WeakPolarHBondContact CA-O 3.24Å; G186-I214 PolarHBondContact N-O 3.25Å; R187-I214 PolarHBondContact N-O 3.41Å; R187-I214 PolarHBondContact O-N 2.96Å; Y189-I214 HydrophobicContact CD2-CG1 3.85Å; Y189-I214 HydrophobicContact CE2-CG1 4.01Å; I212-I214 HydrophobicContact CD1-CD1 4.3Å; I212-I214 HydrophobicContact CG1-CD1 4.2Å; I212-I214 HydrophobicContact CG2-CD1 3.97Å
215P79.9Confident82Confident102 Ų10284.5 Ų84.566%0.66249%0.488SS*.PPolyproline II helixtrans-58.9144.3179.924-33.1000111.1G186G186-P215 PolarHBondContact N-O 3.2Å
216G74.9Confident81.7Confident32 Ų3280.5 Ų80.533%0.3348%0.475SS..PPolyproline II helixtrans-65.5157.617200000111.5F218G216-F218 PolarHBondContact O-N 3.09Å
217P68.1Low81.6Confident101 Ų10182.4 Ų82.466%0.65649%0.491SS*.SBendtrans-68.4-19.4174.431.7-28.8000110.8P185P185-P217 HydrophobicContact CB-CG 4.33Å
218F63.9Low81.5Confident150 Ų15086 Ų8666%0.65851%0.507SS*.SBendtrans-122.1124.2168.1-56-68.6000107.4G216 V223G216-F218 PolarHBondContact O-N 3.09Å; F218-V223 HydrophobicContact CB-CG2 3.65Å; F218-V223 HydrophobicContact CD1-CG2 3.94Å; F218-V223 HydrophobicContact CG-CG2 3.85Å
219S62.8Low81.4Confident63 Ų6378.4 Ų78.444%0.44149%0.489SS..  trans-65.8143.4152.857.10000107.6D221 A222 V223S219-D221 PolarHBondContact O-N 3.47Å; S219-D221 VanDerWaalsContact O-N 3.09Å; S219-A222 PolarHBondContact O-N 3.19Å; S219-A222 VanDerWaalsContact O-N 3.13Å; S219-A222 VanDerWaalsContact OG-CB 3.24Å; S219-A222 WeakPolarHBondContact OG-CB 3.48Å; S219-A222 PolarHBondContact OG-N 2.77Å; S219-A222 VanDerWaalsContact OG-N 3.11Å; S219-V223 PolarHBondContact O-N 3.45Å
220S64.7Low81.5Confident84 Ų8481 Ų8159%0.58750%0.499SS*.Hα-helixtrans-45.2-40.616840.60000110.7V223 V224S220-V223 PolarHBondContact O-N 3.47Å; S220-V224 WeakPolarHBondContact O-CB 3.39Å; S220-V224 VanDerWaalsContact O-CG2 3.23Å; S220-V224 WeakPolarHBondContact O-CG2 3.12Å; S220-V224 PolarHBondContact O-N 2.74Å
221D69.9Low81.6Confident115 Ų11581.5 Ų81.562%0.61550%0.504SS*.Hα-helixtrans-71.5-35.4-172.2-46.1-13.8000111.7S219 S225S219-D221 PolarHBondContact O-N 3.47Å; S219-D221 VanDerWaalsContact O-N 3.09Å; D221-S225 WeakPolarHBondContact O-CB 3.37Å; D221-S225 PolarHBondContact O-N 3.13Å
222A74.8Confident81.8Confident51 Ų5181.7 Ų81.742%0.42150%0.503SS..Hα-helixtrans-69.1-40.8174.200000111.9S219 S225 A226S219-A222 PolarHBondContact O-N 3.19Å; S219-A222 VanDerWaalsContact O-N 3.13Å; S219-A222 VanDerWaalsContact OG-CB 3.24Å; S219-A222 WeakPolarHBondContact OG-CB 3.48Å; S219-A222 PolarHBondContact OG-N 2.77Å; S219-A222 VanDerWaalsContact OG-N 3.11Å; A222-S225 PolarHBondContact O-N 3.11Å; A222-A226 WeakPolarHBondContact O-CB 3.4Å; A222-A226 PolarHBondContact O-N 2.91Å
223V78.6Confident82Confident66 Ų6685.3 Ų85.340%0.452%0.52SS..Hα-helixtrans-69.3-44176.3169.50000110.9F218 S219 S220 S225 A226 V227F218-V223 HydrophobicContact CB-CG2 3.65Å; F218-V223 HydrophobicContact CD1-CG2 3.94Å; F218-V223 HydrophobicContact CG-CG2 3.85Å; S219-V223 PolarHBondContact O-N 3.45Å; S220-V223 PolarHBondContact O-N 3.47Å; V223-S225 VanDerWaalsContact C-N 3.32Å; V223-S225 PolarHBondContact O-N 3.09Å; V223-A226 PolarHBondContact O-N 3.28Å; V223-V227 HydrophobicContact CG1-CG2 4.41Å; V223-V227 WeakPolarHBondContact O-CB 3.29Å; V223-V227 VanDerWaalsContact O-CG2 3.3Å; V223-V227 WeakPolarHBondContact O-CG2 3.46Å; V223-V227 PolarHBondContact O-N 3.34Å
224V82.4Confident82.3Confident97 Ų9783.4 Ų83.459%0.58851%0.51SS*.Hα-helixtrans-60.9-41.7174.3168.80000110.9S220 V227 L228S220-V224 WeakPolarHBondContact O-CB 3.39Å; S220-V224 VanDerWaalsContact O-CG2 3.23Å; S220-V224 WeakPolarHBondContact O-CG2 3.12Å; S220-V224 PolarHBondContact O-N 2.74Å; V224-V227 PolarHBondContact O-N 2.84Å; V224-L228 VanDerWaalsContact O-CB 3.25Å; V224-L228 WeakPolarHBondContact O-CB 3.25Å; V224-L228 PolarHBondContact O-N 3.29Å
225S84.6Confident82.7Confident75 Ų7586.1 Ų86.152%0.52453%0.527SS..Hα-helixtrans-63.4-44175.2-175.70000112.3D221 A222 V223 L228 S229D221-S225 WeakPolarHBondContact O-CB 3.37Å; D221-S225 PolarHBondContact O-N 3.13Å; A222-S225 PolarHBondContact O-N 3.11Å; V223-S225 VanDerWaalsContact C-N 3.32Å; V223-S225 PolarHBondContact O-N 3.09Å; S225-L228 PolarHBondContact O-N 2.85Å; S225-S229 VanDerWaalsContact O-CB 3.29Å; S225-S229 WeakPolarHBondContact O-CB 3.36Å; S225-S229 PolarHBondContact O-N 3.31Å
226A88.1Confident83.3Confident60 Ų6085.6 Ų85.650%0.49652%0.517SS..Hα-helixtrans-63.8-44.717700000112.1A222 V223 S229 L230A222-A226 WeakPolarHBondContact O-CB 3.4Å; A222-A226 PolarHBondContact O-N 2.91Å; V223-A226 PolarHBondContact O-N 3.28Å; A226-S229 PolarHBondContact O-N 3.41Å; A226-L230 WeakPolarHBondContact O-CB 3.4Å; A226-L230 PolarHBondContact O-N 3.33Å
227V91.1Very high84.3Confident96 Ų9687.9 Ų87.958%0.58253%0.525SS*.Hα-helixtrans-64.3-43.1176.6171.60000111.4V223 V224 L230 L231V223-V227 HydrophobicContact CG1-CG2 4.41Å; V223-V227 WeakPolarHBondContact O-CB 3.29Å; V223-V227 VanDerWaalsContact O-CG2 3.3Å; V223-V227 WeakPolarHBondContact O-CG2 3.46Å; V223-V227 PolarHBondContact O-N 3.34Å; V224-V227 PolarHBondContact O-N 2.84Å; V227-L230 PolarHBondContact O-N 3.43Å; V227-L231 WeakPolarHBondContact O-CB 3.3Å; V227-L231 PolarHBondContact O-N 2.89Å
228L90.8Very high85.4Confident104 Ų10487.7 Ų87.755%0.54552%0.517SS..Hα-helixtrans-64.5-42.2176.6-176.170000111.6V224 S225 L231 V232V224-L228 VanDerWaalsContact O-CB 3.25Å; V224-L228 WeakPolarHBondContact O-CB 3.25Å; V224-L228 PolarHBondContact O-N 3.29Å; S225-L228 PolarHBondContact O-N 2.85Å; L228-L231 WeakPolarHBondContact O-CB 3.23Å; L228-L231 PolarHBondContact O-N 3.42Å; L228-V232 WeakPolarHBondContact O-CG2 3.33Å; L228-V232 PolarHBondContact O-N 2.99Å
229S92.1Very high86.6Confident72 Ų7284.2 Ų84.250%0.50350%0.504SS..Hα-helixtrans-61-44.2175.5-173.80000111.6S225 A226 V232 M233S225-S229 VanDerWaalsContact O-CB 3.29Å; S225-S229 WeakPolarHBondContact O-CB 3.36Å; S225-S229 PolarHBondContact O-N 3.31Å; A226-S229 PolarHBondContact O-N 3.41Å; S229-V232 PolarHBondContact O-N 2.88Å; S229-M233 WeakPolarHBondContact O-CG 3.44Å; S229-M233 PolarHBondContact O-N 2.99Å
230L94.8Very high87.8Confident131 Ų13183.8 Ų83.869%0.68651%0.505SS*.Hα-helixtrans-65.4-39.1177.2-169.4147000112.1A226 V227 M233 A234A226-L230 WeakPolarHBondContact O-CB 3.4Å; A226-L230 PolarHBondContact O-N 3.33Å; V227-L230 PolarHBondContact O-N 3.43Å; L230-M233 PolarHBondContact O-N 3.49Å; L230-A234 WeakPolarHBondContact O-CB 3.37Å; L230-A234 PolarHBondContact O-N 2.97Å
231L94.8Very high88.9Confident108 Ų10884.2 Ų84.257%0.56550%0.5SS*.Hα-helixtrans-59.9-47.2173.1-171.485.8000111.6V227 L228 M233 A234 V235V227-L231 WeakPolarHBondContact O-CB 3.3Å; V227-L231 PolarHBondContact O-N 2.89Å; L228-L231 WeakPolarHBondContact O-CB 3.23Å; L228-L231 PolarHBondContact O-N 3.42Å; L231-M233 PolarHBondContact O-N 3.37Å; L231-A234 PolarHBondContact O-N 3.48Å; L231-V235 WeakPolarHBondContact O-CG2 3.47Å; L231-V235 PolarHBondContact O-N 3.36Å
232V95.6Very high89.6Confident75 Ų7581.8 Ų81.846%0.45549%0.487SS..Hα-helixtrans-61.7-44.8178.5170.30000110.9L228 S229 A234 V235 I236L228-V232 WeakPolarHBondContact O-CG2 3.33Å; L228-V232 PolarHBondContact O-N 2.99Å; S229-V232 PolarHBondContact O-N 2.88Å; V232-A234 PolarHBondContact O-N 3.32Å; V232-V235 PolarHBondContact O-N 2.92Å; V232-I236 HydrophobicContact CG1-CD1 3.88Å; V232-I236 WeakPolarHBondContact O-CG1 3.44Å; V232-I236 PolarHBondContact O-N 3.29Å
233M94.4Very high90Very high109 Ų10984.7 Ų84.754%0.53749%0.49SS..Hα-helixtrans-62.4-41.3176.2-70.2-59.4-65.200112.3S229 L230 L231 V235 I236 V237S229-M233 WeakPolarHBondContact O-CG 3.44Å; S229-M233 PolarHBondContact O-N 2.99Å; L230-M233 PolarHBondContact O-N 3.49Å; L231-M233 PolarHBondContact O-N 3.37Å; M233-V235 PolarHBondContact O-N 2.96Å; M233-I236 PolarHBondContact O-N 2.9Å; M233-I236 HydrophobicContact SD-CD1 4.37Å; M233-V237 WeakPolarHBondContact O-CG2 3.37Å; M233-V237 PolarHBondContact O-N 3.29Å
234A95.1Very high90Very high44 Ų4492.6 Ų92.636%0.36451%0.513SS..Hα-helixtrans-61.5-43175.500000112.1L230 L231 V232 I236 V237 I238L230-A234 WeakPolarHBondContact O-CB 3.37Å; L230-A234 PolarHBondContact O-N 2.97Å; L231-A234 PolarHBondContact O-N 3.48Å; V232-A234 PolarHBondContact O-N 3.32Å; A234-I236 PolarHBondContact O-N 3.49Å; A234-V237 PolarHBondContact O-N 3Å; A234-I238 WeakPolarHBondContact O-CD1 3.45Å; A234-I238 VanDerWaalsContact O-CG1 3.26Å; A234-I238 WeakPolarHBondContact O-CG1 3.41Å; A234-I238 PolarHBondContact O-N 3.29Å
235V94.8Very high90Very high73 Ų7392.7 Ų92.744%0.44251%0.514SS..Hα-helixtrans-61.6-43.6175.4170.70000111.4L231 V232 M233 V237 I238 I239L231-V235 WeakPolarHBondContact O-CG2 3.47Å; L231-V235 PolarHBondContact O-N 3.36Å; V232-V235 PolarHBondContact O-N 2.92Å; M233-V235 PolarHBondContact O-N 2.96Å; V235-V237 PolarHBondContact O-N 3.48Å; V235-I238 PolarHBondContact O-N 2.94Å; V235-I239 HydrophobicContact CG1-CD1 3.73Å; V235-I239 HydrophobicContact CG1-CG1 4.46Å; V235-I239 VanDerWaalsContact O-CG1 3.27Å; V235-I239 WeakPolarHBondContact O-CG1 3.49Å; V235-I239 PolarHBondContact O-N 3.41Å
236I94.1Very high89.3Confident92 Ų9290.1 Ų90.147%0.47250%0.499SS..Hα-helixtrans-61.6-43.6176.8-67.6164.7000111.1V232 M233 A234 I239 A240V232-I236 HydrophobicContact CG1-CD1 3.88Å; V232-I236 WeakPolarHBondContact O-CG1 3.44Å; V232-I236 PolarHBondContact O-N 3.29Å; M233-I236 PolarHBondContact O-N 2.9Å; M233-I236 HydrophobicContact SD-CD1 4.37Å; A234-I236 PolarHBondContact O-N 3.49Å; I236-I239 PolarHBondContact O-N 3Å; I236-A240 WeakPolarHBondContact O-CB 3.31Å; I236-A240 PolarHBondContact O-N 3.5Å
237V94.6Very high88.3Confident79 Ų7994.8 Ų94.848%0.47951%0.509SS..Hα-helixtrans-63.7-44176.8171.20000111.4M233 A234 V235 I239 A240 L241M233-V237 WeakPolarHBondContact O-CG2 3.37Å; M233-V237 PolarHBondContact O-N 3.29Å; A234-V237 PolarHBondContact O-N 3Å; V235-V237 PolarHBondContact O-N 3.48Å; V237-I239 VanDerWaalsContact C-N 3.35Å; V237-I239 PolarHBondContact O-N 2.92Å; V237-A240 PolarHBondContact O-N 3.34Å; V237-L241 HydrophobicContact CG1-CD1 3.96Å; V237-L241 HydrophobicContact CG1-CG 4.39Å; V237-L241 WeakPolarHBondContact O-CB 3.27Å; V237-L241 VanDerWaalsContact O-CG 3.31Å; V237-L241 WeakPolarHBondContact O-CG 3.27Å; V237-L241 PolarHBondContact O-N 2.91Å
238I91.6Very high86.9Confident98 Ų9894.3 Ų94.350%0.50350%0.502SS..Hα-helixtrans-60.1-45.3176-69.1162.8000110.6A234 V235 A240 L241 L242A234-I238 WeakPolarHBondContact O-CD1 3.45Å; A234-I238 VanDerWaalsContact O-CG1 3.26Å; A234-I238 WeakPolarHBondContact O-CG1 3.41Å; A234-I238 PolarHBondContact O-N 3.29Å; V235-I238 PolarHBondContact O-N 2.94Å; I238-A240 PolarHBondContact O-N 2.93Å; I238-L241 PolarHBondContact O-N 3.35Å; I238-L242 HydrophobicContact CG2-CD1 3.91Å; I238-L242 HydrophobicContact CG2-CG 4.4Å; I238-L242 WeakPolarHBondContact O-CB 3.49Å; I238-L242 VanDerWaalsContact O-CG 3.28Å; I238-L242 WeakPolarHBondContact O-CG 3.28Å; I238-L242 PolarHBondContact O-N 3.5Å
239I88.6Confident85.4Confident76 Ų7692.6 Ų92.639%0.3950%0.498SS..Hα-helixtrans-60.8-46.5176.8-69.2165.5000110.6V235 I236 V237 L241 L242 F243V235-I239 HydrophobicContact CG1-CD1 3.73Å; V235-I239 HydrophobicContact CG1-CG1 4.46Å; V235-I239 VanDerWaalsContact O-CG1 3.27Å; V235-I239 WeakPolarHBondContact O-CG1 3.49Å; V235-I239 PolarHBondContact O-N 3.41Å; I236-I239 PolarHBondContact O-N 3Å; V237-I239 VanDerWaalsContact C-N 3.35Å; V237-I239 PolarHBondContact O-N 2.92Å; I239-L241 VanDerWaalsContact C-N 3.34Å; I239-L241 PolarHBondContact O-N 2.95Å; I239-L242 PolarHBondContact O-N 3.2Å; I239-F243 HydrophobicContact CG2-CD2 3.71Å; I239-F243 HydrophobicContact CG2-CE2 3.61Å; I239-F243 VanDerWaalsContact O-CD2 3.27Å; I239-F243 WeakPolarHBondContact O-CD2 3.49Å; I239-F243 PolarHBondContact O-N 3.42Å
240A87.8Confident83.6Confident54 Ų5495.5 Ų95.545%0.44651%0.507SS..Hα-helixtrans-60.5-41177.700000112.5I236 V237 I238 F243 W244I236-A240 WeakPolarHBondContact O-CB 3.31Å; I236-A240 PolarHBondContact O-N 3.5Å; V237-A240 PolarHBondContact O-N 3.34Å; I238-A240 PolarHBondContact O-N 2.93Å; A240-F243 PolarHBondContact O-N 3.31Å; A240-W244 WeakPolarHBondContact O-CB 3.26Å; A240-W244 PolarHBondContact O-N 2.94Å
241L88.1Confident81.5Confident94 Ų9499.3 Ų99.349%0.49252%0.518SS..Hα-helixtrans-65.9-39.1174.6-70.2171.5000112.2V237 I238 I239 F243 W244 T245V237-L241 HydrophobicContact CG1-CD1 3.96Å; V237-L241 HydrophobicContact CG1-CG 4.39Å; V237-L241 WeakPolarHBondContact O-CB 3.27Å; V237-L241 VanDerWaalsContact O-CG 3.31Å; V237-L241 WeakPolarHBondContact O-CG 3.27Å; V237-L241 PolarHBondContact O-N 2.91Å; I238-L241 PolarHBondContact O-N 3.35Å; I239-L241 VanDerWaalsContact C-N 3.34Å; I239-L241 PolarHBondContact O-N 2.95Å; L241-F243 VanDerWaalsContact C-N 3.32Å; L241-F243 PolarHBondContact O-N 3.28Å; L241-W244 PolarHBondContact O-N 2.92Å; L241-T245 WeakPolarHBondContact O-CB 3.35Å; L241-T245 WeakPolarHBondContact O-CG2 3.49Å; L241-T245 PolarHBondContact O-N 3.34Å; L241-T245 PolarHBondContact O-OG1 3.13Å
242L85.9Confident79.6Confident63 Ų63105.2 Ų105.233%0.3353%0.533SS..Hα-helixtrans-68.9-28.3175.5-70.4171000113.1I238 I239 F247 I248I238-L242 HydrophobicContact CG2-CD1 3.91Å; I238-L242 HydrophobicContact CG2-CG 4.4Å; I238-L242 WeakPolarHBondContact O-CB 3.49Å; I238-L242 VanDerWaalsContact O-CG 3.28Å; I238-L242 WeakPolarHBondContact O-CG 3.28Å; I238-L242 PolarHBondContact O-N 3.5Å; I239-L242 PolarHBondContact O-N 3.2Å; L242-F247 HydrophobicContact CD2-CB 4.1Å; L242-F247 HydrophobicContact CD2-CG 4.47Å; L242-F247 PolarHBondContact O-N 3.49Å; L242-I248 HydrophobicContact CB-CD1 3.55Å; L242-I248 HydrophobicContact CB-CG1 4.02Å; L242-I248 HydrophobicContact CD1-CD1 4.34Å; L242-I248 PolarHBondContact O-N 2.69Å
243F82.4Confident77.8Confident113 Ų113106.3 Ų106.350%0.49654%0.543SS..Hα-helixtrans-71.3-48.7168.2-86.3-71.1000111.6I239 A240 L241 G246 I248I239-F243 HydrophobicContact CG2-CD2 3.71Å; I239-F243 HydrophobicContact CG2-CE2 3.61Å; I239-F243 VanDerWaalsContact O-CD2 3.27Å; I239-F243 WeakPolarHBondContact O-CD2 3.49Å; I239-F243 PolarHBondContact O-N 3.42Å; A240-F243 PolarHBondContact O-N 3.31Å; L241-F243 VanDerWaalsContact C-N 3.32Å; L241-F243 PolarHBondContact O-N 3.28Å; F243-G246 PolarHBondContact O-N 3.46Å; F243-G246 VanDerWaalsContact O-N 3.13Å; F243-I248 HydrophobicContact CD1-CG2 4.4Å; F243-I248 HydrophobicContact CD2-CD1 4.45Å; F243-I248 HydrophobicContact CE1-CB 4.48Å; F243-I248 HydrophobicContact CE1-CG2 3.9Å; F243-I248 HydrophobicContact CE2-CD1 4.4Å; F243-I248 HydrophobicContact CZ-CG2 4.16Å
244W79.3Confident75.9Confident232 Ų232106.9 Ų106.988%0.87956%0.556SS**Hα-helixtrans-66.9-41.8-177.1-160-19000112.5A240 L241 G246A240-W244 WeakPolarHBondContact O-CB 3.26Å; A240-W244 PolarHBondContact O-N 2.94Å; L241-W244 PolarHBondContact O-N 2.92Å; W244-G246 PolarHBondContact O-N 3.13Å; W244-G246 VanDerWaalsContact O-N 3.13Å
245T81.3Confident73.9Confident98 Ų98112.8 Ų112.860%0.60158%0.577SS**THydrogen-bonded Turntrans-71.3-0.3174.556.20000113.6L241 F247L241-T245 WeakPolarHBondContact O-CB 3.35Å; L241-T245 WeakPolarHBondContact O-CG2 3.49Å; L241-T245 PolarHBondContact O-N 3.34Å; L241-T245 PolarHBondContact O-OG1 3.13Å; T245-F247 PolarHBondContact O-N 2.92Å
246G70.6Confident71.9Confident21 Ų21114.2 Ų114.222%0.21659%0.588CS.*SBendtrans75.5-2.3175.900000115.1F243 W244 I248 C249 L250F243-G246 PolarHBondContact O-N 3.46Å; F243-G246 VanDerWaalsContact O-N 3.13Å; W244-G246 PolarHBondContact O-N 3.13Å; W244-G246 VanDerWaalsContact O-N 3.13Å; G246-I248 PolarHBondContact O-N 2.86Å; G246-I248 VanDerWaalsContact O-N 3.12Å; G246-C249 PolarHBondContact O-N 3.49Å; G246-L250 WeakPolarHBondContact O-CG 3.32Å; G246-L250 PolarHBondContact O-N 3.18Å
247F67.8Low69.9Low159 Ų159115 Ų11570%0.69760%0.602SS**THydrogen-bonded Turntrans-58.1-31.5-174-138.3-92.5000113.1L242 T245L242-F247 HydrophobicContact CD2-CB 4.1Å; L242-F247 HydrophobicContact CD2-CG 4.47Å; L242-F247 PolarHBondContact O-N 3.49Å; T245-F247 PolarHBondContact O-N 2.92Å
248I61.5Low67.9Low86 Ų86117 Ų11744%0.44161%0.614SS.*THydrogen-bonded Turntrans-89.1-22.6175.7-64.6172.3000112.5L242 F243 G246L242-I248 HydrophobicContact CB-CD1 3.55Å; L242-I248 HydrophobicContact CB-CG1 4.02Å; L242-I248 HydrophobicContact CD1-CD1 4.34Å; L242-I248 PolarHBondContact O-N 2.69Å; F243-I248 HydrophobicContact CD1-CG2 4.4Å; F243-I248 HydrophobicContact CD2-CD1 4.45Å; F243-I248 HydrophobicContact CE1-CB 4.48Å; F243-I248 HydrophobicContact CE1-CG2 3.9Å; F243-I248 HydrophobicContact CE2-CD1 4.4Å; F243-I248 HydrophobicContact CZ-CG2 4.16Å; G246-I248 PolarHBondContact O-N 2.86Å; G246-I248 VanDerWaalsContact O-N 3.12Å
249C58.5Low65.9Low68 Ų68119.6 Ų119.646%0.45963%0.628SS.*THydrogen-bonded Turntrans-98.1-7.4-173.3-67.70000115G246 K251 R252G246-C249 PolarHBondContact O-N 3.49Å; C249-K251 PolarHBondContact O-N 3.13Å; C249-R252 PolarHBondContact O-N 2.97Å; C249-R252 VanDerWaalsContact O-N 3.13Å
250L53.8Low64.1Low133 Ų133122 Ų12270%0.69665%0.647SS**THydrogen-bonded Turntrans-60.6-9.8-178-85.7161.9000115.8G246G246-L250 WeakPolarHBondContact O-CG 3.32Å; G246-L250 PolarHBondContact O-N 3.18Å
251K51.8Low62Low211 Ų211123.7 Ų123.792%0.91766%0.655SS**THydrogen-bonded Turntrans-90.811174.9-154.5171.9179.6176.40114.3C249C249-K251 PolarHBondContact O-N 3.13Å
252R55.1Low59.9Low232 Ų232126.4 Ų126.488%0.87567%0.668SS**  trans-138.535.8-179.6-141.6174.6-168.6156.82.2115.5C249C249-R252 PolarHBondContact O-N 2.97Å; C249-R252 VanDerWaalsContact O-N 3.13Å
253S56.1Low57.8Low97 Ų97132.6 Ų132.668%0.67869%0.693SS**PPolyproline II helixtrans-66.4137.6152.147.10000109.3
254P55.4Low55.9Low122 Ų122135.3 Ų135.379%0.79271%0.707SS**PPolyproline II helixtrans-67139.3173.228-32.9000109.7
255M53.2Low54.1Low167 Ų167131.7 Ų131.782%0.82370%0.704SS**PPolyproline II helixtrans-58.5141.4171.4-79.2-17516500110.2
256P52.6Low52.1Low103 Ų103134.3 Ų134.367%0.66971%0.709SS**PPolyproline II helixtrans-64.4137.8178.527-34.2000111V258P256-V258 HydrophobicContact CB-CG2 4.42Å; P256-V258 PolarHBondContact O-N 3.03Å
257S52.6Low50.5Low110 Ų110140.5 Ų140.577%0.76973%0.733SS**THydrogen-bonded Turntrans-70.935-171.2-46.90000115.9
258V52.3Low48.9Very low120 Ų120139.7 Ų139.773%0.72774%0.741SS**THydrogen-bonded Turntrans-101.40.3-173.4-164.70000112.3P256P256-V258 HydrophobicContact CB-CG2 4.42Å; P256-V258 PolarHBondContact O-N 3.03Å
259L50.4Low47.5Very low152 Ų152144.2 Ų144.280%0.79676%0.757SS**SBendtrans-104.516.3-179.5-70.2174.1000114.5
260T49.2Very low46.4Very low128 Ų128147.6 Ų147.679%0.78578%0.776SS**  trans-108.526.2-17750.10000114.9
261S43.3Very low45.4Very low88 Ų88146.4 Ų146.462%0.61578%0.778SS**  trans-134.480.7170.764.30000112F263S261-F263 PolarHBondContact O-N 2.9Å
262I44Very low44.4Very low151 Ų151141.6 Ų141.677%0.77477%0.771SS**  trans-82104.6165.2-62172.2000107.3
263F42.6Very low43.2Very low193 Ų193136.6 Ų136.685%0.84677%0.77SS**  trans-89.2122.1163.3-86.2-82.8000109.3S261S261-F263 PolarHBondContact O-N 2.9Å
264H43.2Very low42Very low170 Ų170135.2 Ų135.279%0.78777%0.771SS**  trans-84.7119.9168.9-106.8-92.2000109.5
265L41.6Very low40.8Very low157 Ų157137.2 Ų137.282%0.82278%0.775SS**  trans172.8148.3158.8-96.5140.9000107.7
266E38.9Very low40Very low152 Ų152133.7 Ų133.771%0.7177%0.773SS**  cis-162.3160.1-37.5177.5156.7-160.200106.1
267E37.2Very low40Very low151 Ų151134.5 Ų134.571%0.70678%0.778SS**  trans20.7111.1167.7-67.2-169.9135.100120.8
268V34.4Very low39Very low143 Ų143134.2 Ų134.287%0.86778%0.776SS**  -130118.4124.7179.80000109.5V270V268-V270 HydrophobicContact CG1-CG2 4.37Å
269K31.3Very low38Very low181 Ų181133 Ų13379%0.78777%0.773SS**  trans-100.5108.5-176-177.8178.6-174.1172.80109.4
270V34.5Very low37.3Very low139 Ų139133.4 Ų133.484%0.84278%0.775SS**  trans-121.3122.8165.4-179.50000108.8V268V268-V270 HydrophobicContact CG1-CG2 4.37Å
271S34.1Very low36.9Very low107 Ų107134.9 Ų134.975%0.74878%0.777SS**  trans-122.2120.3-174162.60000110
272S29.8Very low36.5Very low110 Ų110137.9 Ų137.977%0.76979%0.786SS**  trans-174.999.8147-168.20000107
273C29.6Very low36Very low127 Ų127137.9 Ų137.986%0.85879%0.787SS**  77.9122.976.5-163.70000112.8
274G31.5Very low35.5Very low68 Ų68139.3 Ų139.370%0.70179%0.786SS**  trans163.164-174.500000113.9
275D29.9Very low35.1Very low164 Ų164136.8 Ų136.888%0.87779%0.787SS**  trans57.3108.7154.7-51.7-28.4000121.9
276A36.9Very low34.5Very low93 Ų93138.1 Ų138.177%0.76979%0.792SS**  trans-108.1171.4142.700000106.9
277P52.3Low34.4Very low120 Ų120135 Ų13578%0.77979%0.792SS**  cis-134.2-170.521.937.1-12.7000112.3
278S32.8Very low34.7Very low104 Ų104133.5 Ų133.573%0.72780%0.796SS**  cis179.9167.144.149.70000113.8
279S30Very low35.2Very low95 Ų95132.7 Ų132.766%0.66479%0.793SS**  trans69.799.4153.8-163.20000116.5
280L37.2Very low35.3Very low160 Ų160129 Ų12984%0.83880%0.797SS**  55118.386.6-66.5172.6000114.1
281L39.7Very low35.3Very low159 Ų159126 Ų12683%0.83279%0.793SS**  -168.1123.4118.7-101.8163.8000111.4
282N34.1Very low35.1Very low151 Ų151130 Ų13081%0.80780%0.797SS**  trans-61.9141.7150.6-84.9-45.9000108.2
283I34.3Very low35.3Very low152 Ų152134.9 Ų134.978%0.77980%0.799SS**  trans-179.5121.3132-98.4158.4000113.5
284R31.7Very low35.2Very low223 Ų223134.3 Ų134.384%0.84279%0.792SS**  trans62.8118.5133.3-161.4174.1-165.8150.43.3121
285S35.4Very low35.1Very low116 Ų116136.1 Ų136.181%0.81179%0.794SS**  trans-67.6135.3160-41.50000112.9
286M29.4Very low35.2Very low185 Ų185133.2 Ų133.291%0.91179%0.786SS**  trans-156165.9140.4-127.8168.9-172.500111.6
287A36.8Very low34.8Very low87 Ų87134 Ų13472%0.71979%0.786SS**  trans-67.1154.6-157.900000116.4
288P43.4Very low33.9Very low120 Ų120131.9 Ų131.978%0.77977%0.774SS**  trans-74.2145.1168.431.6-33.9000111.9
289P43.8Very low33.9Very low126 Ų126135.5 Ų135.582%0.81878%0.779SS**  trans-90.6177.6-175.937.4-37.5000113.9
290A35.1Very low34.3Very low104 Ų104139.4 Ų139.486%0.8679%0.787SS**  trans-66.6127.7-178.100000114.8
291G33.3Very low34.3Very low74 Ų74135.7 Ų135.776%0.76377%0.774SS**  trans54.3121.2130.100000121.5
292K31Very low34.4Very low192 Ų192134.5 Ų134.584%0.83577%0.769SS**  -159.1157120.2-123.3170.8-177.3173.50113.4
293R32.6Very low34.7Very low212 Ų212135.8 Ų135.880%0.877%0.77SS**  trans-27.9158.4160.8-53.2167.4-173.7164.9-0.3113.4
294T28.6Very low35Very low116 Ų116137.4 Ų137.471%0.71277%0.774SS**  -176.2156.250-36.40000109.9
295S29.8Very low35.2Very low106 Ų106131.3 Ų131.374%0.74177%0.766SS**  trans60.5149.8155.639.90000117.9
296S30.6Very low35.2Very low103 Ų103131.1 Ų131.172%0.7276%0.763SS**  cis-171.7167.74.736.50000109.6
297S29.5Very low35.7Very low109 Ų109133.6 Ų133.676%0.76276%0.763SS**  trans74.5151.3158.6106.10000116.4
298S32.3Very low35.6Very low75 Ų75137.7 Ų137.752%0.52477%0.767SS.*  cis-167.9154.5-8.827.60000109.6
299E34.2Very low35.2Very low180 Ų180138.3 Ų138.384%0.84177%0.769SS**  trans60.5152.3157.6-70.8127.9-151.500116.3
300E37.5Very low34.7Very low177 Ų177137.9 Ų137.983%0.82777%0.768SS**  cis-157164.2-6.758.4-172.7160.300106.2
301S37.1Very low34.6Very low82 Ų82136.6 Ų136.657%0.57377%0.765SS**  cis-154.2177.76.3-23.40000110.8
302D42.1Very low34.7Very low135 Ų135142.2 Ų142.272%0.72277%0.774SS**  trans38.3141.7131.5-49.7-23.4000121.7
303E40.5Very low34.7Very low178 Ų178138.9 Ų138.983%0.83278%0.775SS**  cis-166.4169.61.743.6-150138.400113.9
304E40.2Very low34.9Very low185 Ų185134 Ų13486%0.86477%0.774SS**  trans88.690.5158.2-150.4157.2-168.300124
305S35.3Very low35.2Very low95 Ų95134.1 Ų134.166%0.66478%0.779SS**  69.5113.7125.1-156.10000125.2
306C37.3Very low35.4Very low113 Ų113132.1 Ų132.176%0.76478%0.775SS**  trans35.1137.3131.9-49.30000121.3
307R38.9Very low35.6Very low237 Ų237131.3 Ų131.389%0.89478%0.775SS**  cis-161.317034-141.6173.3-163.7159.85.4112.9
308E34Very low35.8Very low172 Ų172132 Ų13280%0.80477%0.77SS**  trans-78150.2-165.9-51.5156.2119.700115.5
309T34.9Very low36Very low134 Ų134138 Ų13882%0.82278%0.783SS**  -160.8122.7120.8-3.20000113.9
310S35Very low36.1Very low116 Ų116134.7 Ų134.781%0.81179%0.785SS**  trans38.3127.5146.360.20000122.4
311G32Very low35.9Very low77 Ų77134.2 Ų134.279%0.79479%0.788SS**  132.369.5129.100000119.7
312M35.3Very low35.8Very low192 Ų192140.6 Ų140.695%0.94680%0.799SS**  trans50.197.5146.4-148.585.777.900119.2
313S31.9Very low35.3Very low123 Ų123143.2 Ų143.286%0.8681%0.807SS**  trans-86.5142.6160.6-71.20000112.7
314S36.3Very low34.8Very low110 Ų110138.3 Ų138.377%0.76981%0.805SS**  trans-158.6105.8140.2-174.10000107
315S35.7Very low34.4Very low117 Ų117134 Ų13482%0.81880%0.8SS**  59.9126.174.6-165.60000112.4
316G32.9Very low34.3Very low64 Ų64137.1 Ų137.166%0.6681%0.81SS**  cis-174.4149.5-200000112.9
317A35.8Very low34.8Very low87 Ų87136.9 Ų136.972%0.71981%0.807SS**  20116.5127.600000118.1
318N32.8Very low34.5Very low122 Ų122133.8 Ų133.865%0.65281%0.807SS**  179156.796.9-85.3-27.7000114.6
319Y36.8Very low34.4Very low203 Ų203130.2 Ų130.280%0.79680%0.801SS**  trans-71.9147.7-177.924.3-94.2000113.9
320A36.5Very low34.1Very low109 Ų109129.7 Ų129.790%0.90180%0.803SS**  trans-139.3154.1166.500000111.5
321L33.4Very low33.9Very low167 Ų167130 Ų13087%0.87480%0.8SS**  trans-96.5164-162.1-158.773.6000113.6
322R34.2Very low33.9Very low216 Ų216131.6 Ų131.682%0.81580%0.799SS**  trans-29.1149.5172.3-64.9175.3155.6-161-4.5117.9
323Q30.9Very low33.7Very low190 Ų190127.5 Ų127.589%0.88879%0.79SS**  132.7124.9113.8-158.6164.64000113.7
324G30Very low33.7Very low76 Ų76126.5 Ų126.578%0.78478%0.782SS**  trans156.793.4169.300000118.3
325A31.8Very low33.5Very low93 Ų93126.7 Ų126.777%0.76978%0.784SS**  trans20.2134.3148.200000124.7
326N32.9Very low33.4Very low161 Ų161125.9 Ų125.986%0.86178%0.778SS**  trans85.5138.6140.6-71.2-4.7000122.6
327P49.5Very low33.4Very low109 Ų109128.1 Ų128.171%0.70878%0.784SS**  trans-109.2154.4-177.141.3-33.4000115.2
328L31.5Very low33.5Very low171 Ų171131.9 Ų131.990%0.89579%0.791SS**  trans-144.4118.9155.3-70.9171.4000105.7
329S31.4Very low33.5Very low97 Ų97131.9 Ų131.968%0.67880%0.8SS**  78.39955.5-62.90000114.6
330S29.6Very low33.5Very low123 Ų123127.5 Ų127.586%0.8680%0.8SS**  trans-145.594.9157-71.70000106.3
331T31.2Very low33.8Very low122 Ų122128.7 Ų128.775%0.74880%0.798SS**  84.593.963.7-53.30000114.3
332S31.2Very low33.6Very low112 Ų112126.4 Ų126.478%0.78380%0.796SS**  trans-167.7108.2139.828.30000107.9
333S31.9Very low33.6Very low106 Ų106123.8 Ų123.874%0.74179%0.79SS**  70.9120.479.8-62.30000112.2
334S32Very low34Very low101 Ų101120.6 Ų120.671%0.70679%0.786SS**  cis-162.2163.410.6-69.70000113
335S31.9Very low34.2Very low114 Ų114124.1 Ų124.180%0.79778%0.782SS**  trans60.414214946.20000120.5
336S32.6Very low34.8Very low101 Ų101125 Ų12571%0.70678%0.78SS**  cis-167.3145.40.239.90000113.6
337S33.6Very low35.5Very low111 Ų111123 Ų12378%0.77678%0.776SS**  trans50.7110.9148.457.30000122.9
338L36.8Very low35.3Very low166 Ų166123.3 Ų123.387%0.86978%0.778SS**  trans-18136.9145.1-69.4145.9000118.7
339S33Very low35.3Very low121 Ų121123 Ų12385%0.84678%0.777SS**  -172.7156.8115.727.50000112.1
340S37Very low35.3Very low112 Ų112127 Ų12778%0.78379%0.785SS**  trans-100.4-179.1-172.6-50.80000111.7
341P42.8Very low35.3Very low133 Ų133127.6 Ų127.686%0.86478%0.784SS**  trans-87.5157.1-139.536.5-39.7000115.5
342S29.3Very low36.1Very low119 Ų119127.4 Ų127.483%0.83279%0.785SS**  trans-126.2140.1166.453.20000112.5
343K35.1Very low35.8Very low162 Ų162128.9 Ų128.970%0.70478%0.784SS**  trans-77.6143.3-179.2174.5-164.4-179.1-164.10111.3E345K343-E345 WeakPolarHBondContact CE-OE2 3.39Å; K343-E345 IonicContact NZ-OE2 3.08Å; K343-E345 PolarHBondContact NZ-OE2 3.12Å
344P39.6Very low35.7Very low123 Ų123128.2 Ų128.280%0.79978%0.779SS**  trans-90.4139.5159.3-5.725000112.3
345E33.3Very low35.7Very low150 Ų150132 Ų13270%0.70179%0.786SS**  trans-125.9150.8168-166155.8133.300107K343K343-E345 WeakPolarHBondContact CE-OE2 3.39Å; K343-E345 IonicContact NZ-OE2 3.08Å; K343-E345 PolarHBondContact NZ-OE2 3.12Å
346P44.7Very low35.6Very low110 Ų110134.8 Ų134.871%0.71479%0.786SS**PPolyproline II helixtrans-85.5164.8-151.134.1-36.7000115.1
347P48.3Very low35.5Very low121 Ų121139.3 Ų139.379%0.78680%0.795SS**PPolyproline II helixtrans-74.4155.3175.331.5-35.4000113
348P44.2Very low35.4Very low115 Ų115139.1 Ų139.175%0.74779%0.789SS**PPolyproline II helixtrans-91.4156-167.835.6-36.9000115.3
349N32Very low34.9Very low163 Ų163139.1 Ų139.187%0.87279%0.79SS**PPolyproline II helixtrans-63.2134.4163.7-91.7-17.6000111.8
350Q30.5Very low34.6Very low182 Ų182138.6 Ų138.685%0.8578%0.781SS**  trans-143115.5152.1-70.1-165.811.100112.6
351T30.3Very low34.2Very low136 Ų136139.5 Ų139.583%0.83478%0.782SS**  trans-136.4168.5150.129.10000105.2
352P47.2Very low33.6Very low118 Ų118140.5 Ų140.577%0.76678%0.778SS**  cis-132.4-175.711.443.3-26.7000114.2
353D25.3Very low33.6Very low142 Ų142142.6 Ų142.676%0.75977%0.774SS**  175.1145.2105.7-164.317.5000113.5
354S31Very low33.3Very low92 Ų92143.6 Ų143.664%0.64378%0.781SS**  trans39.7147.2153.6-69.80000121.9
355Q31.6Very low32.9Very low182 Ų182148 Ų14885%0.8578%0.782SS**  cis-139.2138.322.8-61.8167.7-1300108.6
356H30.6Very low33.2Very low172 Ų172146.7 Ų146.780%0.79679%0.787SS**  62.194.971.9-135.894.5000115.8
357E30.3Very low32.4Very low195 Ų195144.6 Ų144.691%0.91179%0.785SS**  trans-149.5144.6140.8-137.2174.9-16200110.8
358V29.6Very low31.5Very low107 Ų107143.3 Ų143.365%0.64878%0.784SS**  trans-127.6131.2-170.3168.50000108.4
359L27.1Very low30.7Very low167 Ų167146.7 Ų146.787%0.87479%0.79SS**  trans-150.4103.4157.4-137109.7000115
360V27Very low30.6Very low110 Ų110148.1 Ų148.167%0.66779%0.792SS**  trans61.9116.6135178.40000120.6I362V360-I362 HydrophobicContact CG1-CG1 4.21Å
361V29.1Very low30.3Very low131 Ų131148 Ų14879%0.79479%0.788SS**  trans-68132.6156.8171.30000111.3
362I29.9Very low30.1Very low154 Ų154148 Ų14879%0.7978%0.782SS**  trans-139.4110.8143.9-59.1-174.9000109.4V360V360-I362 HydrophobicContact CG1-CG1 4.21Å
363E29.8Very low29.1Very low162 Ų162148.2 Ų148.276%0.75778%0.777SS**  trans-85.2143.2157173.5-179-176.700108.7
364H27Very low29.3Very low183 Ų183145.8 Ų145.885%0.84777%0.772SS**  trans-163.9141.8145.5-112.367000113.1
365R32.5Very low29.5Very low215 Ų215147.8 Ų147.881%0.81177%0.774SS**  trans-115144.2171.5-177.8-177.6-178.3164.61.5108.9
366P40.1Very low29.6Very low124 Ų124146.3 Ų146.381%0.80577%0.767SS**  -133.8173.9122.415.76000110.3
367G26.2Very low29.8Very low65 Ų65143.7 Ų143.767%0.6776%0.756SS**  cis131.6118.62.700000111.6
368A30.6Very low30Very low94 Ų94143 Ų14378%0.77775%0.745SS**  trans79.3107.9167.700000121.5
369E28.1Very low30.3Very low186 Ų186146.1 Ų146.187%0.86975%0.745SS**  39124.6120.9-57.3-176.1111.600124.2
370Q28.9Very low30.5Very low193 Ų193143.3 Ų143.390%0.90273%0.734SS**  173123.3128-93.7166.923.100106.8
371K24.6Very low31.1Very low179 Ų179144.4 Ų144.478%0.77873%0.732SS**  cis82.7110.845.4-166.9-179.4-176.9-175.90114.4
372L25.9Very low31.5Very low136 Ų136146.2 Ų146.271%0.71273%0.732SS**  trans67.7149.3163.9-99.966000116.8
373D25.9Very low31.7Very low124 Ų124147.6 Ų147.666%0.66374%0.735SS**  cis-157.2151.4-2-148.5-12.2000112.5
374S30.6Very low31.9Very low91 Ų91148.5 Ų148.564%0.63674%0.74SS**  trans58161.9145.576.60000120.3
375L34.4Very low32.3Very low134 Ų134144.6 Ų144.670%0.70274%0.739SS**  cis-158.1146.55.8-161.258.7000111.3
376E34.2Very low32.3Very low151 Ų151138.6 Ų138.671%0.70674%0.735SS**  trans57.9155.8151.8-79.7170.8154.500120.4
377E34Very low31.9Very low117 Ų117139.4 Ų139.455%0.54774%0.738SS.*  cis-150.8161.64.8-130.6-167.5150.900106.9
378R33.8Very low32.3Very low180 Ų180143 Ų14368%0.67974%0.741SS**  cis-163.9145.514-163.3174.9-172.2120.96.5109.7
379R36.4Very low32.3Very low173 Ų173144.1 Ų144.165%0.65374%0.739SS**  trans15.2156.4147.1-57.1-179.116093-2.9121.2E381R379-E381 IonicContact NE-OE1 3.47Å; R379-E381 PolarHBondContact NE-OE1 3.34Å
380T31.7Very low32.7Very low107 Ų107138.6 Ų138.666%0.65673%0.731SS**  cis-145.4134.932.323.50000110.1
381E39.1Very low33.1Very low133 Ų133138 Ų13862%0.62173%0.728SS**  63.5137.592.2-62159.9-159.600112.8R379R379-E381 IonicContact NE-OE1 3.47Å; R379-E381 PolarHBondContact NE-OE1 3.34Å
382E37.7Very low33.8Very low170 Ų170138.5 Ų138.579%0.79473%0.734SS**  cis-158.9175.9-10.3-111.7168.4153.200104.8
383E34.3Very low34.4Very low183 Ų183138.8 Ų138.886%0.85574%0.741SS**  cis-159.9169.238.5-161.5177.8141.700110.4
384E34.6Very low35Very low181 Ų181139.7 Ų139.785%0.84675%0.745SS**  trans-73.6172.1-177-41.1-176.8114.700112.4
385A34Very low35.7Very low101 Ų101143.4 Ų143.484%0.83576%0.757SS**  -156.1151.16400000113.5
386A33.9Very low36Very low89 Ų89143.9 Ų143.974%0.73676%0.76SS**  trans-89.4161.9178.600000112.6
387V30.8Very low36.2Very low141 Ų141142.6 Ų142.686%0.85576%0.762SS**  175.9135.4104.7155.90000111.2
388N34.2Very low36.4Very low139 Ų139144.8 Ų144.874%0.74378%0.777SS**  trans-52.2152.4173.3-169.321.4000115.5
389V31.2Very low36.6Very low119 Ų119142.2 Ų142.272%0.72178%0.782SS**  162.8127.7128.4157.80000109.2
390G37Very low36.6Very low69 Ų69143.3 Ų143.371%0.71179%0.791SS**  trans-90.4158171.400000112
391Q36.8Very low36.6Very low181 Ų181141.9 Ų141.985%0.84680%0.798SS**  trans-148.6142.6171.5-154.4149.8-6.200112.3
392E38.9Very low36.2Very low190 Ų190141.6 Ų141.689%0.88881%0.809SS**PPolyproline II helixtrans-64.7140.1177.4-63.2161.8117.600111.1
393V39.8Very low35.9Very low142 Ų142141.1 Ų141.186%0.86181%0.811SS**PPolyproline II helixtrans-102.6120.5169.4-90.90000110.7
394N37.8Very low35.9Very low142 Ų142141.1 Ų141.176%0.75981%0.811SS**PPolyproline II helixtrans-75.9121.2-174.9-175.25.7000111.6L396N394-L396 PolarHBondContact O-N 3.2Å; N394-L396 VanDerWaalsContact O-N 3.12Å
395L44.8Very low35.9Very low170 Ų170142.3 Ų142.389%0.8981%0.814SS**  trans-82.376.5175.9-88.4165.2000111.2
396L41.8Very low35.8Very low143 Ų143146 Ų14675%0.74981%0.814SS**  trans-16291.2170.2-105.7156.1000111.1N394N394-L396 PolarHBondContact O-N 3.2Å; N394-L396 VanDerWaalsContact O-N 3.12Å
397T38.2Very low36.1Very low125 Ų125150.9 Ų150.977%0.76782%0.821SS**  trans171.492.5143.5-67.20000107.6
398L37.5Very low36.2Very low162 Ų162153.4 Ų153.485%0.84882%0.824SS**  trans-110.199.2167.7-78.6174000108.6
399T38.5Very low36.4Very low127 Ų127155.9 Ų155.978%0.77983%0.831SS**  trans-89.2117.7173.4-27.20000108.4G401T399-G401 PolarHBondContact O-N 2.78Å
400F35.3Very low36.5Very low195 Ų195160 Ų16086%0.85584%0.842SS**  trans-75.9113.4176.2-74.4-90.7000110.1
401G31.8Very low36.5Very low77 Ų77161 Ų16179%0.79484%0.844SS**  trans-85120.8170.100000110.9T399T399-G401 PolarHBondContact O-N 2.78Å
402C30.5Very low36.2Very low128 Ų128159.5 Ų159.587%0.86585%0.847SS**  trans-75.4140.7167.3-167.90000109.4
403L32Very low36.1Very low160 Ų160159.2 Ų159.284%0.83885%0.846SS**  trans-106.891-172.3-154.5158.1000109.2
404E35Very low35.9Very low183 Ų183161.2 Ų161.286%0.85585%0.846SS**PPolyproline II helixtrans-74.7148.5168.7-75.3-173.3148.400110.7
405K34.8Very low35.7Very low205 Ų205162.8 Ų162.889%0.89185%0.849SS**PPolyproline II helixtrans-93.4144.7-164.1-155.7174.8-177.8-176.50111.6
406Q32.1Very low35.1Very low180 Ų180163.4 Ų163.484%0.84185%0.847SS**PPolyproline II helixtrans-79.6135.4-167.2-170.6175.85.700113.2
407E39.3Very low34.4Very low191 Ų191160 Ų16089%0.89385%0.846SS**  trans-119.9124.1153.8-79-172.6156.100107.6
408E33.5Very low33.9Very low193 Ų193160.2 Ų160.290%0.90285%0.851SS**  trans-163.5139.3148.3-119.8170.5-175.400109.2
409E38.3Very low34.6Very low192 Ų192157.3 Ų157.390%0.89784%0.842SS**  trans-85.8149.9177.7-60.4176121.800110.6
410E32.8Very low34.2Very low205 Ų205158.8 Ų158.896%0.95885%0.845SS**  trans-150.9149.5141.3-138.1175.9-158.900110.6
411A36.6Very low34.1Very low90 Ų90155.4 Ų155.474%0.74484%0.841SS**  trans-122.7147.6-172.800000111.3
412T31.6Very low35Very low149 Ų149156.9 Ų156.991%0.91484%0.836SS**  trans-141.7149.1161.445.90000111.2
413E37.2Very low35.2Very low184 Ų184157.9 Ų157.986%0.8683%0.833SS**  trans-86.2164.2-167.6-52.5167.9142.300112.8
414E33.9Very low35.2Very low185 Ų185157.9 Ų157.986%0.86483%0.828SS**  trans-173.8132.5130.3-103.7169.7-155.200111.9
415E34.7Very low35Very low175 Ų175156 Ų15682%0.81882%0.823SS**  trans25.3152.8148.7-69.7-171.7166.100123
416E32Very low34.8Very low183 Ų183151 Ų15186%0.85582%0.815SS**  cis-169.6154.9-11.7173.5-179.8-142.500106.9
417G26.7Very low34.7Very low71 Ų71147.4 Ų147.473%0.73282%0.816SS**  trans118.396.8154.900000119.2
418C27.5Very low34.6Very low129 Ų129146.8 Ų146.887%0.87282%0.817SS**  trans-107.9175.7152.1-74.80000108.1
419P52.6Low34.4Very low102 Ų102142.6 Ų142.666%0.66282%0.816SS**  cis-137.6176.2942.9-25.5000115.6
420D29.3Very low34.3Very low158 Ų158137.8 Ų137.885%0.84581%0.809SS**  -171.9155.8110.5-102.2-26.9000112.9
421V33.8Very low35.1Very low124 Ų124133.1 Ų133.175%0.75280%0.796SS**  trans-118.2-172.9-167.9-161.10000106.9
422P50.8Low34.8Very low107 Ų107136.3 Ų136.370%0.69580%0.8SS**  cis-116.9-162.5-17.52.226.6000112.4
423D33.8Very low34.8Very low149 Ų149134.4 Ų134.480%0.79779%0.788SS**  cis-160.2-173.85.2-132-44.2000112.4
424E32.6Very low34.7Very low160 Ų160134 Ų13475%0.74879%0.786SS**  trans87.188.3156.9-68-150.39400121.3
425L30.3Very low35.5Very low143 Ų143130.7 Ų130.775%0.74978%0.781SS**  80.3138.3109.9-89.1168.6000124.4
426S30.9Very low35.4Very low102 Ų102126.1 Ų126.171%0.71377%0.773SS**  trans73.191158.2-55.40000117.1
427A30.7Very low35.4Very low104 Ų104124.5 Ų124.586%0.8677%0.77SS**  79124.459.400000115
428L36.1Very low35.6Very low177 Ų177128.6 Ų128.693%0.92778%0.775SS**  trans-72.4158.7-178.8-66.8152.6000113.1
429A29.5Very low36Very low105 Ų105126.5 Ų126.587%0.86877%0.767SS**  trans-139.7109.1152.100000111.1
430A37.2Very low35.1Very low91 Ų91126 Ų12675%0.75277%0.772SS**  trans-84.4-161.3157.900000108
431P50Low35.4Very low108 Ų108124.6 Ų124.670%0.70177%0.769SS**  cis-149-1703.239.2-15.7000117.5
432L30.2Very low35.4Very low157 Ų157123.5 Ų123.582%0.82277%0.767SS**  trans89.3136.1136.1-95.1175.5000123.7
433V30.2Very low34.4Very low108 Ų108124.1 Ų124.166%0.65577%0.772SS**  trans105.596.9146.8174.90000122.2
434Q35.8Very low34.5Very low177 Ų177122.3 Ų122.383%0.82777%0.77SS**  61.7-174.1129.8-45.7-173.4-46.700121.1
435P50Low34.7Very low115 Ų115121.2 Ų121.275%0.74778%0.775SS**  -139.1-162.1-108.943.4-20.3000116.2
436A33.1Very low35.1Very low79 Ų79121.7 Ų121.765%0.65378%0.778SS**  trans91.7129.715800000119.8
437D32Very low35.7Very low148 Ų148126 Ų12679%0.79179%0.787SS**  trans40.2129.9138.8-45.1-28.9000119.4
438D31.8Very low36.3Very low157 Ų157128 Ų12884%0.8478%0.783SS**  -169.5149.568.9-124.4-31.4000115.7
439A34.7Very low36.4Very low86 Ų86129.3 Ų129.371%0.71178%0.777SS**  trans41.1138.914400000126.8
440A34.7Very low36.8Very low91 Ų91130.9 Ų130.975%0.75277%0.771SS**  trans78140.4144.600000119.1
441T34.3Very low36.8Very low128 Ų128132.1 Ų132.179%0.78577%0.765SS**  cis-156.5147.1-1-4.20000108.7
442S34.3Very low36.1Very low101 Ų101139 Ų13971%0.70678%0.777SS**  50.5132.3104.4-166.30000116.2
443C30.7Very low36.7Very low120 Ų120138.6 Ų138.681%0.81178%0.776SS**  cis-158.4171.63.3-123.10000111.4
444C35.2Very low36.9Very low111 Ų111143 Ų14375%0.7578%0.782SS**  trans-74.1153.9171-45.70000112.7
445T36.9Very low37Very low138 Ų138143.3 Ų143.385%0.84779%0.786SS**  trans-146.7111.2145.845.90000109.3
446D39.3Very low36.7Very low153 Ų153149.1 Ų149.182%0.81879%0.793SS**  trans-77.2134.9158.4-57.4-70.6000108.7
447E42.4Very low37.1Very low193 Ų193156.9 Ų156.990%0.90281%0.805SS**  trans-141.5106.5156.1-73.3-162.6150.800109.4
448D43.7Very low37.4Very low146 Ų146159.5 Ų159.578%0.78181%0.812SS**  trans-66.7149.4158.9-71.6-59.7000110
449Y38.1Very low38Very low203 Ų203156.4 Ų156.480%0.79681%0.809SS**  171118.3118.2-107.6-104000113
450D37.6Very low38.2Very low138 Ų138165.2 Ų165.274%0.73884%0.839SS**  68.4148.8128.9-784.1000127.3
451D38.8Very low38.4Very low118 Ų118168.9 Ų168.963%0.63184%0.843SS**  trans74.6100.3145.2-162.628.2000121.5D453D451-D453 PolarHBondContact OD1-N 3.41Å
452W33.7Very low38.6Very low251 Ų251171.1 Ų171.195%0.95185%0.846SS**  trans-149.469.5145.9-80.4103.4000111.9
453D42.7Very low38.9Very low150 Ų150174.9 Ų174.980%0.80285%0.854SS**  trans-122.366.7160-165.815.7000112.1D451D451-D453 PolarHBondContact OD1-N 3.41Å
454Y34.8Very low39.4Very low201 Ų201178.2 Ų178.279%0.78886%0.856SS**  trans-146.667.4175-148.7-87.1000114.3
455M39.2Very low39.6Very low183 Ų183182.4 Ų182.490%0.90186%0.863SS**  trans-154.156.9160.4-104.5-48.7-167.700114.1
456R42.5Very low39.8Very low237 Ų237185.3 Ų185.389%0.89486%0.864SS**  trans-147.176.2162.3-163.6-177.7-70.5-174.20.5114.1
457R40.7Very low39.8Very low242 Ų242187.6 Ų187.691%0.91387%0.867SS**  trans-177.4103.4149.6-100.9161-154.2-145.38.2110.2
458Q39.1Very low39.6Very low202 Ų202187.2 Ų187.294%0.94487%0.865SS**  trans162.998134.6-90178.820.200112.4
459A43.5Very low39.3Very low93 Ų93190.7 Ų190.777%0.76987%0.871SS**  trans-156110.7143.500000103.3
460M40.9Very low39.4Very low270 Ų270189.5 Ų189.5100%1.3388%0.878SS**  53.2081.2-79.1-165.2173.800112.1

Retrieved 460 of 460 residues in 804.2 ms (Link to these results)