A0A087XHS0_POEFO Loading...

ADP-ribosylation factor-like 13b

AlphaFold DB , UniProt , Accession A0A087XHS0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 401 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
1M46.4Very low50.7Low223 Ų223120.5 Ų120.5100%1.09965%0.649SS**  00.80-71.3177.5-161.600114.6
2F47.8Very low50.9Low191 Ų191120 Ų12084%0.83865%0.645SS**Hα-helixtrans-85.2-12.9-179.4-65.6-77.8000115.4
3S52.1Low50.9Low91 Ų91122.8 Ų122.864%0.63665%0.648SS**Hα-helixtrans-77.5-23.2-179-171.30000114.4
4L48.5Very low50.9Low151 Ų151125.2 Ų125.279%0.79164%0.644SS**Hα-helixtrans-78.6-35.8179.7-117.895.9000112.1C8L4-C8 PolarHBondContact O-N 3.21Å
5M47.6Very low51.1Low141 Ų141130.1 Ų130.170%0.69565%0.651SS**Hα-helixtrans-70.1-36.2178.9-73.4-76.4-143.600112.3N7 C8 C9M5-N7 VanDerWaalsContact C-N 3.35Å; M5-N7 PolarHBondContact O-N 3.3Å; M5-C8 PolarHBondContact O-N 3.46Å; M5-C9 PolarHBondContact O-N 3.49Å; M5-C9 VanDerWaalsContact O-N 3.1Å; M5-C9 PolarHBondContact O-SG 3.1Å
6A50.8Low51.2Low63 Ų63132.6 Ų132.652%0.52166%0.66SS.*Hα-helixtrans-65-36.6177.100000112.7S10A6-S10 PolarHBondContact O-N 2.93Å; A6-S10 PolarHBondContact O-OG 3.38Å
7N49.4Very low52Low108 Ų108130.1 Ų130.158%0.57865%0.646SS**Hα-helixtrans-75.2-28176.1-83.8-11.5000113.3M5 S10 W11M5-N7 VanDerWaalsContact C-N 3.35Å; M5-N7 PolarHBondContact O-N 3.3Å; N7-S10 WeakPolarHBondContact CA-OG 3.37Å; N7-S10 PolarHBondContact O-OG 3.16Å; N7-W11 WeakPolarHBondContact O-CB 3.18Å; N7-W11 PolarHBondContact O-N 3.38Å
8C54.2Low52.9Low71 Ų71129.1 Ų129.148%0.4865%0.65SS.*Hα-helixtrans-74.2-39.6176.4-149.80000111.2L4 M5 W11 L12L4-C8 PolarHBondContact O-N 3.21Å; M5-C8 PolarHBondContact O-N 3.46Å; C8-W11 WeakPolarHBondContact O-CB 3.4Å; C8-W11 PolarHBondContact O-N 3.27Å; C8-L12 PolarHBondContact O-N 3Å
9C54.3Low54.4Low78 Ų78124.9 Ų124.953%0.52764%0.638SS.*Hα-helixtrans-69.7-33175.9-69.60000113.5M5 K13M5-C9 PolarHBondContact O-N 3.49Å; M5-C9 VanDerWaalsContact O-N 3.1Å; M5-C9 PolarHBondContact O-SG 3.1Å; C9-K13 WeakPolarHBondContact O-CB 2.9Å; C9-K13 PolarHBondContact O-N 2.69Å
10S53.4Low56.2Low60 Ų60121 Ų12142%0.4262%0.615SS.*Hα-helixtrans-70.5-35.6171.763.70000111.8A6 N7 R14A6-S10 PolarHBondContact O-N 2.93Å; A6-S10 PolarHBondContact O-OG 3.38Å; N7-S10 WeakPolarHBondContact CA-OG 3.37Å; N7-S10 PolarHBondContact O-OG 3.16Å; S10-R14 WeakPolarHBondContact O-CB 3.38Å; S10-R14 PolarHBondContact O-N 3.28Å
11W53.5Low58.1Low148 Ų148121.8 Ų121.856%0.56161%0.614SS**Hα-helixtrans-62.7-46.3172.2-122.863.2000112.5N7 C8 R14 W15N7-W11 WeakPolarHBondContact O-CB 3.18Å; N7-W11 PolarHBondContact O-N 3.38Å; C8-W11 WeakPolarHBondContact O-CB 3.4Å; C8-W11 PolarHBondContact O-N 3.27Å; W11-R14 PolarHBondContact O-N 3.44Å; W11-W15 HydrophobicContact CZ3-CZ2 4.32Å; W11-W15 PolarHBondContact O-N 3.39Å
12L53.4Low60.6Low115 Ų115111.2 Ų111.260%0.60256%0.562SS**Hα-helixtrans-66.1-40.9176.1-86.9150.4000112.6C8 R14 W15 Q16C8-L12 PolarHBondContact O-N 3Å; L12-R14 VanDerWaalsContact C-N 3.3Å; L12-R14 PolarHBondContact O-N 2.9Å; L12-W15 PolarHBondContact O-N 3.14Å; L12-W15 VanDerWaalsContact O-N 3.17Å; L12-Q16 PolarHBondContact O-N 3.35Å
13K50.5Low63Low157 Ų157103.2 Ų103.268%0.68353%0.529SS*.Hα-helixtrans-61.4-38.3172.5-89.8-175171.7-177.80112.3C9 W15 Q16 E17C9-K13 WeakPolarHBondContact O-CB 2.9Å; C9-K13 PolarHBondContact O-N 2.69Å; K13-W15 PolarHBondContact O-N 3.38Å; K13-Q16 PolarHBondContact O-N 3.49Å; K13-E17 PolarHBondContact O-N 2.84Å
14R51Low65.2Low156 Ų15698.9 Ų98.959%0.58950%0.499SS*.Hα-helixtrans-67-18178-152.3172.175.4-178.95.5113.2S10 W11 L12S10-R14 WeakPolarHBondContact O-CB 3.38Å; S10-R14 PolarHBondContact O-N 3.28Å; W11-R14 PolarHBondContact O-N 3.44Å; L12-R14 VanDerWaalsContact C-N 3.3Å; L12-R14 PolarHBondContact O-N 2.9Å
15W53.1Low67.6Low198 Ų19891.7 Ų91.775%0.7546%0.461SS*.Hα-helixtrans-90.9-11.4174-77.545.8000113.3W11 L12 K13W11-W15 HydrophobicContact CZ3-CZ2 4.32Å; W11-W15 PolarHBondContact O-N 3.39Å; L12-W15 PolarHBondContact O-N 3.14Å; L12-W15 VanDerWaalsContact O-N 3.17Å; K13-W15 PolarHBondContact O-N 3.38Å
16Q53.7Low70Confident170 Ų17085 Ų8579%0.79443%0.428SS*.Hα-helixtrans-105.3-5.1178.6-89.2-168.3-9.300114.4L12 K13 P18L12-Q16 PolarHBondContact O-N 3.35Å; K13-Q16 PolarHBondContact O-N 3.49Å; Q16-P18 WeakPolarHBondContact O-CD 3.49Å
17E63.8Low72.3Confident90 Ų9082 Ų8242%0.42140%0.403SS..SBendtrans-64.9123175.2-78179.9-177.900110K13 K64K13-E17 PolarHBondContact O-N 2.84Å; E17-K64 IonicContact OE2-NZ 2.88Å; E17-K64 PolarHBondContact OE2-NZ 3.18Å
18P68.4Low74.7Confident112 Ų11276.9 Ų76.973%0.72738%0.376SS*.PPolyproline II helixtrans-59.6148.4175.325.1-32.7000109.9Q16 R20Q16-P18 WeakPolarHBondContact O-CD 3.49Å; P18-R20 PolarHBondContact O-N 3.37Å; P18-R20 VanDerWaalsContact O-N 3.15Å
19A81.1Confident76.8Confident51 Ų5173.7 Ų73.742%0.42135%0.354SS..PPolyproline II helixtrans-56.8123.7176.900000109.4K64 E66A19-K64 WeakPolarHBondContact CA-O 3.26Å; A19-E66 HydrophobicContact CB-CG 4.07Å
20R91.8Very high78.8Confident46 Ų4672.7 Ų72.717%0.17434%0.344CS..EExtended strand (participates in β ladder)trans-78.4127.1-178.7-75.7179.4175.8176.3-3.3109P18 K64 F65 E66 A191 Y194P18-R20 PolarHBondContact O-N 3.37Å; P18-R20 VanDerWaalsContact O-N 3.15Å; R20-K64 PolarHBondContact N-O 3.48Å; R20-F65 HydrophobicContact CB-CD1 3.82Å; R20-F65 HydrophobicContact CB-CE1 4.07Å; R20-F65 WeakPolarHBondContact O-CA 3.43Å; R20-E66 PolarHBondContact O-N 2.84Å; R20-A191 PolarHBondContact NH1-O 2.73Å; R20-Y194 HydrophobicContact CB-CD2 4.35Å; R20-Y194 HydrophobicContact CB-CE1 4.25Å; R20-Y194 HydrophobicContact CB-CE2 3.85Å; R20-Y194 HydrophobicContact CG-CD1 4.08Å; R20-Y194 HydrophobicContact CG-CD2 4.41Å; R20-Y194 HydrophobicContact CG-CE1 3.84Å; R20-Y194 HydrophobicContact CG-CE2 4.21Å; R20-Y194 HydrophobicContact CG-CG 4.35Å
21K96.1Very high80.9Confident137 Ų13775.2 Ų75.260%0.59635%0.353SS*.EExtended strand (participates in β ladder)trans-82.3124.5174.6-65.5-177.2178.8-177.60108.8E66 Y194K21-E66 CarbonylContact C-O 3.57Å; K21-E66 WeakPolarHBondContact CA-O 3.39Å; K21-E66 WeakPolarHBondContact CE-OE2 3.09Å; K21-E66 HydrophobicContact CG-CB 4.23Å; K21-Y194 PolarHBondContact N-OH 3.47Å; K21-Y194 WeakPolarHBondContact O-CE2 3.42Å; K21-Y194 PolarHBondContact O-OH 3.4Å
22V98Very high83Confident1 Ų168.2 Ų68.21%0.00633%0.326CS..EExtended strand (participates in β ladder)trans-130.1125.6-177.7176.60000108.4L24 F65 E66 V67 T68 H90 L187 I190 Y194V22-L24 HydrophobicContact CG1-CD2 3.8Å; V22-L24 HydrophobicContact CG1-CG 4.19Å; V22-F65 HydrophobicContact CG2-CD1 3.79Å; V22-F65 HydrophobicContact CG2-CE1 4.5Å; V22-E66 PolarHBondContact N-O 3.06Å; V22-V67 CarbonylContact O-C 3.57Å; V22-V67 VanDerWaalsContact O-CA 3.25Å; V22-V67 WeakPolarHBondContact O-CA 3.43Å; V22-T68 PolarHBondContact O-N 3.27Å; V22-H90 HydrophobicContact CG1-CB 4.01Å; V22-L187 HydrophobicContact CB-CD2 4.2Å; V22-L187 HydrophobicContact CG1-CD2 3.83Å; V22-L187 HydrophobicContact CG2-CD2 4.4Å; V22-I190 HydrophobicContact CG1-CD1 3.79Å; V22-I190 HydrophobicContact CG1-CG2 4.25Å; V22-I190 HydrophobicContact CG2-CG2 4.09Å; V22-Y194 HydrophobicContact CG2-CE2 4.03Å
23T98.6Very high85.1Confident23 Ų2363.5 Ų63.514%0.14131%0.305CS..EExtended strand (participates in β ladder)trans-104128.4173.9-570000109T68 F70 E88 H90T23-T68 CarbonylContact C-O 3.51Å; T23-T68 VanDerWaalsContact CA-O 3.32Å; T23-T68 WeakPolarHBondContact CA-O 3.46Å; T23-T68 HydrophobicContact CG2-CG2 4.38Å; T23-F70 HydrophobicContact CG2-CD2 3.56Å; T23-F70 HydrophobicContact CG2-CE2 3.34Å; T23-F70 HydrophobicContact CG2-CZ 4.49Å; T23-E88 WeakPolarHBondContact CB-O 3.13Å; T23-E88 HydrophobicContact CG2-CB 4.43Å; T23-E88 WeakPolarHBondContact CG2-O 3.42Å; T23-H90 PolarHBondContact N-ND1 3.01Å; T23-H90 WeakPolarHBondContact O-CB 3.45Å; T23-H90 PolarHBondContact O-N 2.64Å; T23-H90 PolarHBondContact O-ND1 3.43Å
24L98.8Very high87.3Confident0 Ų056.6 Ų56.60%028%0.275CS..EExtended strand (participates in β ladder)trans-115.7146.1175.4-56.4179.3000109.5V22 V67 T68 I69 F70 G91 V93 L183 L186 I190V22-L24 HydrophobicContact CG1-CD2 3.8Å; V22-L24 HydrophobicContact CG1-CG 4.19Å; L24-V67 HydrophobicContact CD1-CG1 3.83Å; L24-V67 HydrophobicContact CG-CG1 4.09Å; L24-T68 PolarHBondContact N-O 3.31Å; L24-I69 HydrophobicContact CB-CG1 4.41Å; L24-I69 WeakPolarHBondContact O-CA 3.35Å; L24-F70 PolarHBondContact O-N 2.98Å; L24-G91 WeakPolarHBondContact CA-O 3.38Å; L24-V93 HydrophobicContact CD1-CG2 4.38Å; L24-L183 HydrophobicContact CD1-CD1 3.71Å; L24-L186 HydrophobicContact CD1-CD2 3.94Å; L24-L186 HydrophobicContact CD2-CD2 3.9Å; L24-L186 HydrophobicContact CD2-CG 4.36Å; L24-I190 HydrophobicContact CD2-CD1 3.64Å
25V98.6Very high89.5Confident0 Ų050.4 Ų50.40%026%0.255CS..EExtended strand (participates in β ladder)trans-105.8127.9168.1-66.60000108.8F70 Y86 G91 V92 V93V25-F70 HydrophobicContact CG1-CB 4.36Å; V25-F70 HydrophobicContact CG1-CD2 4.39Å; V25-Y86 HydrophobicContact CG2-CD1 4.4Å; V25-G91 PolarHBondContact N-O 3.39Å; V25-V92 HydrophobicContact CG2-CB 4.33Å; V25-V92 HydrophobicContact CG2-CG1 4.29Å; V25-V92 HydrophobicContact CG2-CG2 3.83Å; V25-V93 PolarHBondContact O-N 3.34Å
26M98.6Very high91.5Very high1 Ų141.5 Ų41.51%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-102.5113.8173.9-169.1175-65.300109.5K34 A37 V38 I41 I69 F70 L72 V93 V95M26-K34 HydrophobicContact CG-CB 3.99Å; M26-K34 HydrophobicContact CG-CD 4.34Å; M26-K34 HydrophobicContact CG-CG 4.07Å; M26-K34 HydrophobicContact SD-CB 3.8Å; M26-K34 HydrophobicContact SD-CG 4.37Å; M26-A37 HydrophobicContact SD-CB 4.38Å; M26-V38 HydrophobicContact CE-CG2 3.51Å; M26-V38 HydrophobicContact SD-CG2 3.5Å; M26-V38 VanDerWaalsContact SD-CG2 3.5Å; M26-I41 HydrophobicContact CE-CD1 4.5Å; M26-I69 HydrophobicContact CB-CG2 3.99Å; M26-I69 HydrophobicContact CE-CG2 4.23Å; M26-F70 PolarHBondContact N-O 3.41Å; M26-L72 PolarHBondContact O-N 3Å; M26-V93 WeakPolarHBondContact CA-O 3.32Å; M26-V93 HydrophobicContact CB-CB 4.48Å; M26-V93 HydrophobicContact CE-CB 4.3Å; M26-V93 HydrophobicContact CE-CG1 4.05Å; M26-V93 HydrophobicContact CG-CB 4.24Å; M26-V93 HydrophobicContact CG-CG1 4.33Å; M26-V95 HydrophobicContact CG-CG2 3.88Å; M26-V95 HydrophobicContact SD-CG2 4.02Å
27V98.6Very high93.4Very high0 Ų033.4 Ų33.40%019%0.186CC..EExtended strand (participates in β ladder)trans-134.4169.6-173.1-65.90000110.9K34 L72 W82 V92 V93 F94 V95 V114V27-K34 VanDerWaalsContact C-CD 3.41Å; V27-L72 HydrophobicContact CG1-CB 4.39Å; V27-L72 HydrophobicContact CG1-CD1 3.89Å; V27-L72 HydrophobicContact CG1-CG 4.39Å; V27-W82 HydrophobicContact CB-CD2 4.12Å; V27-W82 HydrophobicContact CB-CE3 4Å; V27-W82 HydrophobicContact CB-CH2 4.05Å; V27-W82 HydrophobicContact CB-CZ2 4.14Å; V27-W82 HydrophobicContact CB-CZ3 3.97Å; V27-W82 HydrophobicContact CG1-CB 4.48Å; V27-W82 HydrophobicContact CG1-CD2 3.74Å; V27-W82 HydrophobicContact CG1-CE3 3.99Å; V27-W82 HydrophobicContact CG1-CG 4Å; V27-W82 HydrophobicContact CG1-CZ2 4.46Å; V27-W82 HydrophobicContact CG1-CZ3 4.46Å; V27-V92 HydrophobicContact CG2-CG1 3.73Å; V27-V93 PolarHBondContact N-O 3.48Å; V27-F94 HydrophobicContact CG2-CD2 3.83Å; V27-F94 HydrophobicContact CG2-CE2 4.39Å; V27-F94 CarbonylContact O-C 3.55Å; V27-F94 WeakPolarHBondContact O-CA 3.25Å; V27-V95 PolarHBondContact O-N 3.26Å; V27-V114 HydrophobicContact CG2-CG1 4.27Å; V27-V114 HydrophobicContact CG2-CG2 4.31Å
28G98.6Very high94.9Very high0 Ų029.3 Ų29.30%017%0.167CC..  trans137.6165.7-170.700000110.7K34 G74 W82G28-K34 WeakPolarHBondContact O-CE 3.31Å; G28-K34 PolarHBondContact O-NZ 3.37Å; G28-G74 WeakPolarHBondContact O-CA 3.31Å; G28-W82 WeakPolarHBondContact O-CZ2 3.4Å
29L98.6Very high96.1Very high4 Ų427.9 Ų27.92%0.02115%0.147CC..SBendtrans-58.5158.1-177.2-53.6-167.9000111.8A32 K34 R103 E106 T107 T110L29-A32 VanDerWaalsContact O-CB 3.23Å; L29-A32 WeakPolarHBondContact O-CB 3.39Å; L29-A32 PolarHBondContact O-N 3.03Å; L29-K34 PolarHBondContact O-NZ 2.94Å; L29-R103 HydrophobicContact CD1-CB 3.95Å; L29-E106 HydrophobicContact CD1-CB 4.2Å; L29-E106 HydrophobicContact CD1-CG 4.04Å; L29-E106 HydrophobicContact CD2-CG 4.09Å; L29-T107 WeakPolarHBondContact CD1-OG1 3.37Å; L29-T110 HydrophobicContact CD2-CG2 4.05Å; L29-T110 WeakPolarHBondContact CD2-OG1 3.49Å
30D97.3Very high96.6Very high58 Ų5825.9 Ų25.931%0.3113%0.131SC..THydrogen-bonded Turntrans-54.1149.1166.451-80.8000110.7A32 G74 G75 R79 R103D30-A32 PolarHBondContact O-N 3.38Å; D30-G74 VanDerWaalsContact N-C 3.31Å; D30-G74 PolarHBondContact N-O 2.64Å; D30-G74 VanDerWaalsContact OD1-O 3.1Å; D30-G75 WeakPolarHBondContact OD1-CA 3.31Å; D30-R79 IonicContact OD1-NH2 2.83Å; D30-R79 PolarHBondContact OD1-NH2 3.15Å; D30-R103 PolarHBondContact O-NH1 2.94Å; D30-R103 PolarHBondContact O-NH2 3.31Å; D30-R103 IonicContact OD1-NH1 3.59Å; D30-R103 IonicContact OD2-CZ 4Å; D30-R103 IonicContact OD2-NH1 3.64Å; D30-R103 PolarHBondContact OD2-NH1 3.25Å
31N96.9Very high96.5Very high113 Ų11325.1 Ų25.160%0.60413%0.13SC*.THydrogen-bonded Turntrans64.6-1-175.1-157.945000116.1G33 K131N31-G33 PolarHBondContact O-N 2.92Å; N31-G33 VanDerWaalsContact O-N 3.1Å; N31-K131 PolarHBondContact ND2-NZ 3.37Å; N31-K131 WeakPolarHBondContact O-CE 3.45Å; N31-K131 PolarHBondContact O-NZ 3.14Å
32A98Very high96.3Very high1 Ų122.2 Ų22.21%0.00812%0.119CC..SBendtrans-63.8-16.3177.600000114.5L29 D30 V95 D97 N130L29-A32 VanDerWaalsContact O-CB 3.23Å; L29-A32 WeakPolarHBondContact O-CB 3.39Å; L29-A32 PolarHBondContact O-N 3.03Å; D30-A32 PolarHBondContact O-N 3.38Å; A32-V95 HydrophobicContact CB-CB 4.31Å; A32-V95 HydrophobicContact CB-CG1 4.09Å; A32-V95 WeakPolarHBondContact CB-O 3.39Å; A32-V95 VanDerWaalsContact O-CG1 3.26Å; A32-V95 WeakPolarHBondContact O-CG1 3.31Å; A32-D97 HydrophobicContact CB-CB 4.49Å; A32-N130 PolarHBondContact O-ND2 3.23Å
33G96.9Very high95.8Very high16 Ų1623.9 Ų23.917%0.16514%0.136CC..SBendtrans96.124177.200000115.2N31 A36 A37N31-G33 PolarHBondContact O-N 2.92Å; N31-G33 VanDerWaalsContact O-N 3.1Å; G33-A36 PolarHBondContact O-N 3.14Å; G33-A37 WeakPolarHBondContact O-CB 3.41Å; G33-A37 PolarHBondContact O-N 2.92Å
34K97.6Very high95.3Very high11 Ų1127.1 Ų27.15%0.04815%0.15CC..Hα-helixtrans-54.4-61.2177-62.6-177-62.6-69.50112.7M26 V27 G28 L29 A36 A37 V38 D71 L72 V95M26-K34 HydrophobicContact CG-CB 3.99Å; M26-K34 HydrophobicContact CG-CD 4.34Å; M26-K34 HydrophobicContact CG-CG 4.07Å; M26-K34 HydrophobicContact SD-CB 3.8Å; M26-K34 HydrophobicContact SD-CG 4.37Å; V27-K34 VanDerWaalsContact C-CD 3.41Å; G28-K34 WeakPolarHBondContact O-CE 3.31Å; G28-K34 PolarHBondContact O-NZ 3.37Å; L29-K34 PolarHBondContact O-NZ 2.94Å; K34-A36 VanDerWaalsContact C-N 3.27Å; K34-A36 PolarHBondContact O-N 2.93Å; K34-A37 WeakPolarHBondContact O-CA 3.45Å; K34-A37 WeakPolarHBondContact O-CB 3.48Å; K34-A37 PolarHBondContact O-N 2.79Å; K34-V38 PolarHBondContact O-N 2.88Å; K34-D71 WeakPolarHBondContact CB-OD1 3.15Å; K34-L72 WeakPolarHBondContact CE-O 3.33Å; K34-V95 HydrophobicContact CB-CG2 4.44Å; K34-V95 HydrophobicContact CG-CB 3.78Å; K34-V95 HydrophobicContact CG-CG1 4.48Å; K34-V95 HydrophobicContact CG-CG2 3.74Å
35T96.2Very high94.8Very high27 Ų2731.9 Ų31.917%0.16618%0.175CC..Hα-helixtrans-61.2-35179.7-48.40000112.5V38 R39 V49 T52 D71T35-V38 PolarHBondContact O-N 3.47Å; T35-R39 WeakPolarHBondContact O-CB 3.46Å; T35-R39 WeakPolarHBondContact O-CG 3.47Å; T35-R39 PolarHBondContact O-N 2.87Å; T35-V49 HydrophobicContact CG2-CG1 3.43Å; T35-V49 VanDerWaalsContact CG2-CG1 3.43Å; T35-T52 PolarHBondContact OG1-OG1 2.93Å; T35-D71 WeakPolarHBondContact CA-OD2 3.31Å; T35-D71 VanDerWaalsContact CB-OD2 3.23Å; T35-D71 WeakPolarHBondContact CB-OD2 3.46Å; T35-D71 WeakPolarHBondContact CG2-OD2 3.32Å; T35-D71 PolarHBondContact OG1-OD1 2.75Å; T35-D71 PolarHBondContact OG1-OD2 3.07Å
36A95.2Very high94.3Very high10 Ų1032.2 Ų32.28%0.08318%0.177CC..Hα-helixtrans-63.1-43172.600000111.6G33 K34 R39 G40 P46 V49 A167G33-A36 PolarHBondContact O-N 3.14Å; K34-A36 VanDerWaalsContact C-N 3.27Å; K34-A36 PolarHBondContact O-N 2.93Å; A36-R39 PolarHBondContact O-N 3.5Å; A36-G40 PolarHBondContact O-N 3.35Å; A36-P46 HydrophobicContact CB-CB 4.23Å; A36-P46 WeakPolarHBondContact CB-O 3.45Å; A36-P46 WeakPolarHBondContact O-CB 3.42Å; A36-V49 HydrophobicContact CB-CG2 4.36Å; A36-A167 HydrophobicContact CB-CB 4.02Å
37A95.1Very high93.8Very high1 Ų136.1 Ų36.11%0.00820%0.195CC..Hα-helixtrans-63.5-42.5175.700000111.6M26 G33 K34 G40 I41 L128 A167 I179M26-A37 HydrophobicContact SD-CB 4.38Å; G33-A37 WeakPolarHBondContact O-CB 3.41Å; G33-A37 PolarHBondContact O-N 2.92Å; K34-A37 WeakPolarHBondContact O-CA 3.45Å; K34-A37 WeakPolarHBondContact O-CB 3.48Å; K34-A37 PolarHBondContact O-N 2.79Å; A37-G40 PolarHBondContact O-N 2.97Å; A37-I41 WeakPolarHBondContact O-CD1 3.34Å; A37-I41 WeakPolarHBondContact O-CG1 3.33Å; A37-I41 PolarHBondContact O-N 3.34Å; A37-L128 HydrophobicContact CB-CD1 4.46Å; A37-A167 HydrophobicContact CB-CB 4.02Å; A37-I179 HydrophobicContact CB-CD1 4.42Å
38V94.6Very high93.2Very high4 Ų443.4 Ų43.42%0.02423%0.234CC..Hα-helixtrans-61-50.1175.8176.30000111.4M26 K34 T35 G40 I41 Q42 V58 I69 D71M26-V38 HydrophobicContact CE-CG2 3.51Å; M26-V38 HydrophobicContact SD-CG2 3.5Å; M26-V38 VanDerWaalsContact SD-CG2 3.5Å; K34-V38 PolarHBondContact O-N 2.88Å; T35-V38 PolarHBondContact O-N 3.47Å; V38-G40 VanDerWaalsContact C-N 3.3Å; V38-G40 PolarHBondContact O-N 3.43Å; V38-I41 WeakPolarHBondContact O-CB 3.43Å; V38-I41 PolarHBondContact O-N 3.07Å; V38-I41 VanDerWaalsContact O-N 3.12Å; V38-Q42 WeakPolarHBondContact O-CG 3.43Å; V38-Q42 PolarHBondContact O-N 3.38Å; V38-V58 HydrophobicContact CG1-CB 3.94Å; V38-V58 HydrophobicContact CG1-CG1 4.11Å; V38-V58 HydrophobicContact CG1-CG2 3.55Å; V38-I69 HydrophobicContact CG2-CG2 4.13Å; V38-D71 HydrophobicContact CG2-CB 4.2Å
39R92.8Very high92.7Very high82 Ų8245.8 Ų45.831%0.30925%0.249SC..Hα-helixtrans-57.2-44.5175.4-75.9-171.8176.5-176.5-1.4111.8T35 A36 I41 Q42 G43 E44 N45 Q47T35-R39 WeakPolarHBondContact O-CB 3.46Å; T35-R39 WeakPolarHBondContact O-CG 3.47Å; T35-R39 PolarHBondContact O-N 2.87Å; A36-R39 PolarHBondContact O-N 3.5Å; R39-I41 PolarHBondContact O-N 2.89Å; R39-Q42 CarbonylContact O-C 3.37Å; R39-Q42 WeakPolarHBondContact O-CB 3.46Å; R39-Q42 PolarHBondContact O-N 3.47Å; R39-Q42 VanDerWaalsContact O-N 3.14Å; R39-G43 PolarHBondContact O-N 3.17Å; R39-G43 VanDerWaalsContact O-N 3.09Å; R39-E44 HydrophobicContact CB-CB 4.05Å; R39-E44 HydrophobicContact CG-CB 4.39Å; R39-E44 PolarHBondContact O-N 3.01Å; R39-N45 VanDerWaalsContact CD-O 3.31Å; R39-N45 WeakPolarHBondContact CD-O 3.34Å; R39-Q47 PolarHBondContact NH1-O 3.34Å
40G91.4Very high92.4Very high8 Ų849.1 Ų49.18%0.08228%0.277CS..Hα-helixtrans-57-47.4174.900000112.1A36 A37 V38 Q42 G43 V175A36-G40 PolarHBondContact O-N 3.35Å; A37-G40 PolarHBondContact O-N 2.97Å; V38-G40 VanDerWaalsContact C-N 3.3Å; V38-G40 PolarHBondContact O-N 3.43Å; G40-Q42 VanDerWaalsContact C-N 3.28Å; G40-Q42 PolarHBondContact O-N 2.95Å; G40-G43 PolarHBondContact O-N 3.27Å; G40-V175 WeakPolarHBondContact O-CB 3.45Å
41I91.2Very high92.1Very high31 Ų3152.2 Ų52.216%0.15930%0.301CS..Hα-helixtrans-60.4-37.8176.8-65.8161.2000111.4M26 A37 V38 R39 G43 L60 I69 V175 I179 L183M26-I41 HydrophobicContact CE-CD1 4.5Å; A37-I41 WeakPolarHBondContact O-CD1 3.34Å; A37-I41 WeakPolarHBondContact O-CG1 3.33Å; A37-I41 PolarHBondContact O-N 3.34Å; V38-I41 WeakPolarHBondContact O-CB 3.43Å; V38-I41 PolarHBondContact O-N 3.07Å; V38-I41 VanDerWaalsContact O-N 3.12Å; R39-I41 PolarHBondContact O-N 2.89Å; I41-G43 PolarHBondContact O-N 3.31Å; I41-L60 HydrophobicContact CG2-CD1 4.44Å; I41-L60 HydrophobicContact CG2-CD2 3.62Å; I41-I69 HydrophobicContact CD1-CD1 4.5Å; I41-V175 HydrophobicContact CG1-CG2 4.36Å; I41-I179 HydrophobicContact CD1-CG2 3.87Å; I41-I179 HydrophobicContact CG1-CG2 3.73Å; I41-L183 HydrophobicContact CD1-CD2 4.5Å; I41-L183 HydrophobicContact CG2-CD2 4.21Å
42Q90.1Very high91.7Very high75 Ų7548.9 Ų48.935%0.3528%0.284SS..Hα-helixtrans-71.9-11.4175.1-66.8175.6-81.800113.7V38 R39 G40 E44 V58V38-Q42 WeakPolarHBondContact O-CG 3.43Å; V38-Q42 PolarHBondContact O-N 3.38Å; R39-Q42 CarbonylContact O-C 3.37Å; R39-Q42 WeakPolarHBondContact O-CB 3.46Å; R39-Q42 PolarHBondContact O-N 3.47Å; R39-Q42 VanDerWaalsContact O-N 3.14Å; G40-Q42 VanDerWaalsContact C-N 3.28Å; G40-Q42 PolarHBondContact O-N 2.95Å; Q42-E44 VanDerWaalsContact C-N 3.28Å; Q42-E44 HydrophobicContact CB-CG 4Å; Q42-E44 PolarHBondContact NE2-OE1 3.23Å; Q42-V58 HydrophobicContact CG-CG1 3.63Å; Q42-V58 VanDerWaalsContact NE2-CG1 3.31Å
43G88.1Confident91.2Very high36 Ų3655.3 Ų55.337%0.37132%0.323SS..THydrogen-bonded Turntrans76.416.8-172.900000113.6R39 G40 I41R39-G43 PolarHBondContact O-N 3.17Å; R39-G43 VanDerWaalsContact O-N 3.09Å; G40-G43 PolarHBondContact O-N 3.27Å; I41-G43 PolarHBondContact O-N 3.31Å
44E88.9Confident90.8Very high91 Ų9155.3 Ų55.343%0.42532%0.323SS..SBendtrans-83.9168.1171.7-63.1178.6-167.900110.8R39 Q42 P46R39-E44 HydrophobicContact CB-CB 4.05Å; R39-E44 HydrophobicContact CG-CB 4.39Å; R39-E44 PolarHBondContact O-N 3.01Å; Q42-E44 VanDerWaalsContact C-N 3.28Å; Q42-E44 HydrophobicContact CB-CG 4Å; Q42-E44 PolarHBondContact NE2-OE1 3.23Å; E44-P46 VanDerWaalsContact O-CD 3.25Å; E44-P46 WeakPolarHBondContact O-CD 3.3Å
45N88Confident90.5Very high101 Ų10159.8 Ų59.854%0.5434%0.343SS..  trans-69.9117.9175.6-173.7-4000110.3R39 Q47R39-N45 VanDerWaalsContact CD-O 3.31Å; R39-N45 WeakPolarHBondContact CD-O 3.34Å; N45-Q47 PolarHBondContact O-N 2.99Å; N45-Q47 VanDerWaalsContact OD1-CB 3.29Å; N45-Q47 WeakPolarHBondContact OD1-CB 3.39Å; N45-Q47 WeakPolarHBondContact OD1-CG 3.45Å; N45-Q47 PolarHBondContact OD1-N 3.43Å
46P88.1Confident90.4Very high7 Ų761.1 Ų61.15%0.04535%0.353CS..  trans-78.4-2.6-179.233.9-37.3000113.7A36 E44 V49 A167A36-P46 HydrophobicContact CB-CB 4.23Å; A36-P46 WeakPolarHBondContact CB-O 3.45Å; A36-P46 WeakPolarHBondContact O-CB 3.42Å; E44-P46 VanDerWaalsContact O-CD 3.25Å; E44-P46 WeakPolarHBondContact O-CD 3.3Å; P46-V49 WeakPolarHBondContact O-CG2 3.49Å; P46-A167 VanDerWaalsContact CB-O 3.25Å; P46-A167 WeakPolarHBondContact CB-O 3.35Å; P46-A167 WeakPolarHBondContact CG-O 3.39Å
47Q87.6Confident90.4Very high82 Ų8265.9 Ų65.938%0.38337%0.372SS..SBendtrans-83.1166.4-179.8-59.5-68.6-600112.6R39 N45 V49R39-Q47 PolarHBondContact NH1-O 3.34Å; N45-Q47 PolarHBondContact O-N 2.99Å; N45-Q47 VanDerWaalsContact OD1-CB 3.29Å; N45-Q47 WeakPolarHBondContact OD1-CB 3.39Å; N45-Q47 WeakPolarHBondContact OD1-CG 3.45Å; N45-Q47 PolarHBondContact OD1-N 3.43Å; Q47-V49 VanDerWaalsContact C-N 3.35Å; Q47-V49 PolarHBondContact O-N 3.31Å
48D85.8Confident90.4Very high153 Ų15366.4 Ų66.482%0.81838%0.375SS*.SBendtrans5347.3172.1-56.7-41.4000113.8
49V89.1Confident90.5Very high50 Ų5071 Ų7130%0.30340%0.399SS..PPolyproline II helixtrans-91121.4-179.1-177.50000110.6T35 A36 P46 Q47T35-V49 HydrophobicContact CG2-CG1 3.43Å; T35-V49 VanDerWaalsContact CG2-CG1 3.43Å; A36-V49 HydrophobicContact CB-CG2 4.36Å; P46-V49 WeakPolarHBondContact O-CG2 3.49Å; Q47-V49 VanDerWaalsContact C-N 3.35Å; Q47-V49 PolarHBondContact O-N 3.31Å
50A90.6Very high90.5Very high74 Ų7468.4 Ų68.461%0.61239%0.391SS*.PPolyproline II helixtrans-74.3153.7173.400000111.6T52A50-T52 PolarHBondContact O-N 2.93Å
51P91.9Very high90.6Very high124 Ų12476.1 Ų76.181%0.80542%0.423SS*.PPolyproline II helixtrans-56.3125.2174.1-25.334.6000112.5V53P51-V53 PolarHBondContact O-N 2.89Å
52T88.4Confident90.5Very high42 Ų4277.3 Ų77.326%0.25843%0.428SS..PPolyproline II helixtrans-70.4121.7179.7-48.50000111.3T35 A50T35-T52 PolarHBondContact OG1-OG1 2.93Å; A50-T52 PolarHBondContact O-N 2.93Å
53V86.8Confident90.3Very high137 Ų13777.7 Ų77.783%0.8345%0.451SS*.PPolyproline II helixtrans-97.2116.2171.6-178.10000108.3P51 F55P51-V53 PolarHBondContact O-N 2.89Å; V53-F55 PolarHBondContact O-N 2.92Å
54G88.4Confident90.4Very high16 Ų1680.5 Ų80.517%0.16545%0.453CS..SBendtrans80.7-115.5-175.700000111.8G73 I81G54-G73 PolarHBondContact O-N 3.16Å; G54-I81 WeakPolarHBondContact O-CD1 3.44Å
55F92.3Very high90.6Very high105 Ų10577.1 Ų77.146%0.46144%0.437SS..EExtended strand (participates in β ladder)trans-147.7159.8-175.375.5-75.2000112.6V53 F70 D71 L72 Y85V53-F55 PolarHBondContact O-N 2.92Å; F55-F70 HydrophobicContact CD2-CD1 4.28Å; F55-D71 CarbonylContact C-O 3.6Å; F55-D71 VanDerWaalsContact CA-O 3.24Å; F55-D71 WeakPolarHBondContact CA-O 3.25Å; F55-L72 HydrophobicContact CB-CD2 3.47Å; F55-L72 VanDerWaalsContact CB-CD2 3.47Å; F55-Y85 AromaticContact CD1-CZ 3.93Å; F55-Y85 WeakPolarHBondContact CD1-OH 3.35Å; F55-Y85 AromaticContact CD2-CE1 3.93Å; F55-Y85 HydrophobicContact CD2-CE1 3.93Å; F55-Y85 WeakPolarHBondContact CE1-OH 3.48Å; F55-Y85 HydrophobicContact CE2-CE1 4.17Å; F55-Y85 HydrophobicContact CG-CE1 4.14Å; F55-Y85 AromaticContact CG-CZ 3.78Å; F55-Y85 WeakPolarHBondContact CG-OH 3.46Å
56S93.7Very high91Very high54 Ų5475.8 Ų75.838%0.37843%0.428SS..EExtended strand (participates in β ladder)trans-124.5149.5164.4-178.60000109.7F70 D71S56-F70 WeakPolarHBondContact O-CA 3.38Å; S56-D71 PolarHBondContact N-O 3.06Å; S56-D71 PolarHBondContact O-N 3.31Å
57K95.7Very high91.5Very high111 Ų11175.5 Ų75.548%0.48343%0.426SS..EExtended strand (participates in β ladder)trans-115.5127.1175-178-171.2168.5-164.10108.7D59 T68 F70K57-D59 WeakPolarHBondContact CE-OD1 3.13Å; K57-D59 VanDerWaalsContact CE-OD2 3.27Å; K57-D59 WeakPolarHBondContact CE-OD2 3.41Å; K57-D59 IonicContact NZ-OD1 3.01Å; K57-D59 IonicContact NZ-OD2 3.83Å; K57-D59 PolarHBondContact NZ-OD2 3.3Å; K57-T68 HydrophobicContact CD-CG2 4.14Å; K57-T68 VanDerWaalsContact CE-CG2 3.4Å; K57-T68 HydrophobicContact CG-CG2 3.83Å; K57-F70 HydrophobicContact CB-CD1 4.16Å; K57-F70 HydrophobicContact CB-CE1 4.15Å; K57-F70 HydrophobicContact CD-CE1 4.04Å; K57-F70 HydrophobicContact CG-CD1 4.18Å; K57-F70 HydrophobicContact CG-CE1 3.9Å
58V95.2Very high92Very high11 Ų1172.9 Ų72.97%0.06742%0.415CS..EExtended strand (participates in β ladder)trans-123.5125.2177.2171.30000109.8V38 Q42 L60 T68 I69V38-V58 HydrophobicContact CG1-CB 3.94Å; V38-V58 HydrophobicContact CG1-CG1 4.11Å; V38-V58 HydrophobicContact CG1-CG2 3.55Å; Q42-V58 HydrophobicContact CG-CG1 3.63Å; Q42-V58 VanDerWaalsContact NE2-CG1 3.31Å; V58-L60 HydrophobicContact CG1-CD2 4.23Å; V58-T68 CarbonylContact O-C 3.55Å; V58-T68 WeakPolarHBondContact O-CA 3.26Å; V58-I69 PolarHBondContact N-O 3.24Å; V58-I69 PolarHBondContact O-N 3.35Å
59D96.3Very high92.6Very high101 Ų10165.6 Ų65.654%0.5438%0.377SS..EExtended strand (participates in β ladder)trans-104.9126.4174.3-66.3-35.7000109.4K57 V67 T68K57-D59 WeakPolarHBondContact CE-OD1 3.13Å; K57-D59 VanDerWaalsContact CE-OD2 3.27Å; K57-D59 WeakPolarHBondContact CE-OD2 3.41Å; K57-D59 IonicContact NZ-OD1 3.01Å; K57-D59 IonicContact NZ-OD2 3.83Å; K57-D59 PolarHBondContact NZ-OD2 3.3Å; D59-V67 CarbonylContact C-O 3.56Å; D59-V67 WeakPolarHBondContact CA-O 3.44Å; D59-T68 WeakPolarHBondContact OD1-CA 3.39Å; D59-T68 VanDerWaalsContact OD1-CB 3.29Å; D59-T68 WeakPolarHBondContact OD1-CB 3.23Å; D59-T68 WeakPolarHBondContact OD1-CG2 3.31Å; D59-T68 PolarHBondContact OD1-OG1 3.17Å
60L93.8Very high93Very high27 Ų2764 Ų6414%0.14137%0.365CS..EExtended strand (participates in β ladder)trans-141.9156.8-177.966.791.9000111.7I41 V58 Q62 V67 I69I41-L60 HydrophobicContact CG2-CD1 4.44Å; I41-L60 HydrophobicContact CG2-CD2 3.62Å; V58-L60 HydrophobicContact CG1-CD2 4.23Å; L60-Q62 HydrophobicContact CD1-CB 3.93Å; L60-V67 HydrophobicContact CD1-CB 3.91Å; L60-V67 HydrophobicContact CD1-CG2 4.31Å; L60-V67 HydrophobicContact CG-CB 4.12Å; L60-V67 PolarHBondContact N-O 2.94Å; L60-V67 PolarHBondContact O-N 2.88Å; L60-I69 HydrophobicContact CD2-CD1 3.75Å; L60-I69 HydrophobicContact CD2-CG1 4.33Å
61K92.3Very high93.3Very high171 Ų17160.5 Ų60.574%0.74334%0.337SS*.EExtended strand (participates in β ladder)trans-102121.9174.4-69.4-173.6176.4-176.60110
62Q89Confident93.6Very high56 Ų5654.6 Ų54.626%0.26230%0.298SS..EExtended strand (participates in β ladder)trans-123.799.2176.3-171.864.128.300109.1L60 K64 F65 V67 L183 L187L60-Q62 HydrophobicContact CD1-CB 3.93Å; Q62-K64 PolarHBondContact O-N 2.87Å; Q62-F65 PolarHBondContact N-O 2.98Å; Q62-F65 WeakPolarHBondContact O-CD2 3.16Å; Q62-F65 PolarHBondContact O-N 3.46Å; Q62-V67 HydrophobicContact CB-CG2 4.05Å; Q62-L183 HydrophobicContact CG-CD2 4.25Å; Q62-L187 HydrophobicContact CB-CD1 3.72Å; Q62-L187 HydrophobicContact CG-CD1 3.46Å; Q62-L187 VanDerWaalsContact CG-CD1 3.46Å
63G87.3Confident94Very high82 Ų8252.7 Ų52.785%0.84529%0.287SS*.THydrogen-bonded Turntrans59.8-118.5-174.900000111.7
64K88.8Confident94.4Very high95 Ų9546.4 Ų46.441%0.41325%0.25SC..THydrogen-bonded Turntrans-91.79.8178.269.7173.3-172.2169.20114.6E17 A19 R20 Q62E17-K64 IonicContact OE2-NZ 2.88Å; E17-K64 PolarHBondContact OE2-NZ 3.18Å; A19-K64 WeakPolarHBondContact CA-O 3.26Å; R20-K64 PolarHBondContact N-O 3.48Å; Q62-K64 PolarHBondContact O-N 2.87Å
65F94.2Very high94.8Very high20 Ų2046.8 Ų46.89%0.08825%0.253CS..EExtended strand (participates in β ladder)trans-109.4135.7-177.5-55.9-82000111.1R20 V22 Q62 V67 L187 A191R20-F65 HydrophobicContact CB-CD1 3.82Å; R20-F65 HydrophobicContact CB-CE1 4.07Å; R20-F65 WeakPolarHBondContact O-CA 3.43Å; V22-F65 HydrophobicContact CG2-CD1 3.79Å; V22-F65 HydrophobicContact CG2-CE1 4.5Å; Q62-F65 PolarHBondContact N-O 2.98Å; Q62-F65 WeakPolarHBondContact O-CD2 3.16Å; Q62-F65 PolarHBondContact O-N 3.46Å; F65-V67 HydrophobicContact CB-CG2 3.73Å; F65-L187 HydrophobicContact CB-CD1 4.44Å; F65-L187 HydrophobicContact CB-CD2 4.46Å; F65-L187 HydrophobicContact CD2-CB 4Å; F65-L187 HydrophobicContact CD2-CD1 4.05Å; F65-L187 HydrophobicContact CD2-CG 4.46Å; F65-L187 HydrophobicContact CE2-CB 4Å; F65-L187 HydrophobicContact CG-CB 4.46Å; F65-L187 HydrophobicContact CG-CD1 4.41Å; F65-L187 HydrophobicContact CG-CD2 4.36Å; F65-L187 HydrophobicContact CZ-CB 4.45Å; F65-A191 HydrophobicContact CE1-CB 3.82Å; F65-A191 HydrophobicContact CZ-CB 3.57Å
66E96.3Very high94.9Very high74 Ų7449.6 Ų49.635%0.34627%0.266SS..EExtended strand (participates in β ladder)trans-91.8107.5161.3-69.2-179.1176.300106.8A19 R20 K21 V22A19-E66 HydrophobicContact CB-CG 4.07Å; R20-E66 PolarHBondContact O-N 2.84Å; K21-E66 CarbonylContact C-O 3.57Å; K21-E66 WeakPolarHBondContact CA-O 3.39Å; K21-E66 WeakPolarHBondContact CE-OE2 3.09Å; K21-E66 HydrophobicContact CG-CB 4.23Å; V22-E66 PolarHBondContact N-O 3.06Å
67V97.6Very high94.9Very high1 Ų158.6 Ų58.61%0.00629%0.291CS..EExtended strand (participates in β ladder)trans-105.9121.7-171.4-173.10000109.6V22 L24 D59 L60 Q62 F65 I69 L187V22-V67 CarbonylContact O-C 3.57Å; V22-V67 VanDerWaalsContact O-CA 3.25Å; V22-V67 WeakPolarHBondContact O-CA 3.43Å; L24-V67 HydrophobicContact CD1-CG1 3.83Å; L24-V67 HydrophobicContact CG-CG1 4.09Å; D59-V67 CarbonylContact C-O 3.56Å; D59-V67 WeakPolarHBondContact CA-O 3.44Å; L60-V67 HydrophobicContact CD1-CB 3.91Å; L60-V67 HydrophobicContact CD1-CG2 4.31Å; L60-V67 HydrophobicContact CG-CB 4.12Å; L60-V67 PolarHBondContact N-O 2.94Å; L60-V67 PolarHBondContact O-N 2.88Å; Q62-V67 HydrophobicContact CB-CG2 4.05Å; F65-V67 HydrophobicContact CB-CG2 3.73Å; V67-I69 HydrophobicContact CG1-CG1 3.95Å; V67-L187 HydrophobicContact CG2-CD1 3.97Å; V67-L187 HydrophobicContact CG2-CD2 3.8Å
68T98.3Very high94.8Very high26 Ų2655.7 Ų55.716%0.1628%0.281CS..EExtended strand (participates in β ladder)trans-98126.8166.1-650000108.4V22 T23 L24 K57 V58 D59 F70V22-T68 PolarHBondContact O-N 3.27Å; T23-T68 CarbonylContact C-O 3.51Å; T23-T68 VanDerWaalsContact CA-O 3.32Å; T23-T68 WeakPolarHBondContact CA-O 3.46Å; T23-T68 HydrophobicContact CG2-CG2 4.38Å; L24-T68 PolarHBondContact N-O 3.31Å; K57-T68 HydrophobicContact CD-CG2 4.14Å; K57-T68 VanDerWaalsContact CE-CG2 3.4Å; K57-T68 HydrophobicContact CG-CG2 3.83Å; V58-T68 CarbonylContact O-C 3.55Å; V58-T68 WeakPolarHBondContact O-CA 3.26Å; D59-T68 WeakPolarHBondContact OD1-CA 3.39Å; D59-T68 VanDerWaalsContact OD1-CB 3.29Å; D59-T68 WeakPolarHBondContact OD1-CB 3.23Å; D59-T68 WeakPolarHBondContact OD1-CG2 3.31Å; D59-T68 PolarHBondContact OD1-OG1 3.17Å; T68-F70 HydrophobicContact CG2-CE2 4.3Å; T68-F70 HydrophobicContact CG2-CZ 4.25Å
69I98.4Very high94.8Very high1 Ų156.6 Ų56.61%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-112.8122.4172.8-55.7-177.6000108.6L24 M26 V38 I41 V58 L60 V67L24-I69 HydrophobicContact CB-CG1 4.41Å; L24-I69 WeakPolarHBondContact O-CA 3.35Å; M26-I69 HydrophobicContact CB-CG2 3.99Å; M26-I69 HydrophobicContact CE-CG2 4.23Å; V38-I69 HydrophobicContact CG2-CG2 4.13Å; I41-I69 HydrophobicContact CD1-CD1 4.5Å; V58-I69 PolarHBondContact N-O 3.24Å; V58-I69 PolarHBondContact O-N 3.35Å; L60-I69 HydrophobicContact CD2-CD1 3.75Å; L60-I69 HydrophobicContact CD2-CG1 4.33Å; V67-I69 HydrophobicContact CG1-CG1 3.95Å
70F98.3Very high94.7Very high15 Ų1557.5 Ų57.57%0.06629%0.288CS..EExtended strand (participates in β ladder)trans-89.6106.4166.2-68-65000109.4T23 L24 V25 M26 F55 S56 K57 T68 L72 Y85T23-F70 HydrophobicContact CG2-CD2 3.56Å; T23-F70 HydrophobicContact CG2-CE2 3.34Å; T23-F70 HydrophobicContact CG2-CZ 4.49Å; L24-F70 PolarHBondContact O-N 2.98Å; V25-F70 HydrophobicContact CG1-CB 4.36Å; V25-F70 HydrophobicContact CG1-CD2 4.39Å; M26-F70 PolarHBondContact N-O 3.41Å; F55-F70 HydrophobicContact CD2-CD1 4.28Å; S56-F70 WeakPolarHBondContact O-CA 3.38Å; K57-F70 HydrophobicContact CB-CD1 4.16Å; K57-F70 HydrophobicContact CB-CE1 4.15Å; K57-F70 HydrophobicContact CD-CE1 4.04Å; K57-F70 HydrophobicContact CG-CD1 4.18Å; K57-F70 HydrophobicContact CG-CE1 3.9Å; T68-F70 HydrophobicContact CG2-CE2 4.3Å; T68-F70 HydrophobicContact CG2-CZ 4.25Å; F70-L72 HydrophobicContact CB-CD2 4.05Å; F70-Y85 HydrophobicContact CB-CD1 4.27Å; F70-Y85 AromaticContact CD1-CD1 3.87Å; F70-Y85 HydrophobicContact CD1-CD1 3.87Å; F70-Y85 HydrophobicContact CD1-CE1 4.04Å; F70-Y85 HydrophobicContact CD2-CD1 4.03Å; F70-Y85 HydrophobicContact CE1-CD1 4.13Å; F70-Y85 HydrophobicContact CE1-CE1 4.23Å; F70-Y85 HydrophobicContact CE2-CD1 4.26Å; F70-Y85 AromaticContact CG-CD1 3.81Å; F70-Y85 HydrophobicContact CG-CD1 3.81Å; F70-Y85 HydrophobicContact CG-CE1 4.42Å; F70-Y85 HydrophobicContact CZ-CD1 4.32Å
71D97.3Very high94.8Very high2 Ų258 Ų581%0.01129%0.29CS..EExtended strand (participates in β ladder)trans-86110.4173.3177.830.4000109.6K34 T35 V38 F55 S56K34-D71 WeakPolarHBondContact CB-OD1 3.15Å; T35-D71 WeakPolarHBondContact CA-OD2 3.31Å; T35-D71 VanDerWaalsContact CB-OD2 3.23Å; T35-D71 WeakPolarHBondContact CB-OD2 3.46Å; T35-D71 WeakPolarHBondContact CG2-OD2 3.32Å; T35-D71 PolarHBondContact OG1-OD1 2.75Å; T35-D71 PolarHBondContact OG1-OD2 3.07Å; V38-D71 HydrophobicContact CG2-CB 4.2Å; F55-D71 CarbonylContact C-O 3.6Å; F55-D71 VanDerWaalsContact CA-O 3.24Å; F55-D71 WeakPolarHBondContact CA-O 3.25Å; S56-D71 PolarHBondContact N-O 3.06Å; S56-D71 PolarHBondContact O-N 3.31Å
72L97.1Very high95Very high0 Ų050.1 Ų50.10%026%0.255CS..EExtended strand (participates in β ladder)trans-104.6139.7-171.8-53.2-172.6000111.6M26 V27 K34 F55 F70 G74 W82 Y85M26-L72 PolarHBondContact O-N 3Å; V27-L72 HydrophobicContact CG1-CB 4.39Å; V27-L72 HydrophobicContact CG1-CD1 3.89Å; V27-L72 HydrophobicContact CG1-CG 4.39Å; K34-L72 WeakPolarHBondContact CE-O 3.33Å; F55-L72 HydrophobicContact CB-CD2 3.47Å; F55-L72 VanDerWaalsContact CB-CD2 3.47Å; F70-L72 HydrophobicContact CB-CD2 4.05Å; L72-G74 PolarHBondContact O-N 2.79Å; L72-W82 HydrophobicContact CB-CG 4.47Å; L72-W82 HydrophobicContact CD1-CB 3.98Å; L72-W82 HydrophobicContact CD1-CG 3.9Å; L72-Y85 HydrophobicContact CD1-CD2 3.72Å; L72-Y85 HydrophobicContact CD1-CE2 4.43Å; L72-Y85 HydrophobicContact CD1-CG 4.14Å; L72-Y85 HydrophobicContact CD2-CD1 4.37Å; L72-Y85 HydrophobicContact CD2-CD2 3.75Å; L72-Y85 HydrophobicContact CD2-CE1 4.4Å; L72-Y85 HydrophobicContact CD2-CE2 3.8Å; L72-Y85 HydrophobicContact CD2-CG 4.06Å; L72-Y85 HydrophobicContact CG-CD2 4.45Å
73G96.4Very high95.4Very high1 Ų152.6 Ų52.61%0.0127%0.265CS..  trans-55.7133.4174.700000111.9G54 I78 W82G54-G73 PolarHBondContact O-N 3.16Å; G73-I78 WeakPolarHBondContact O-CG2 3.38Å; G73-W82 PolarHBondContact O-NE1 2.67Å
74G96.9Very high95.8Very high5 Ų552.1 Ų52.15%0.05224%0.244CC..  trans-96-4-174.700000115.8G28 D30 L72 R79G28-G74 WeakPolarHBondContact O-CA 3.31Å; D30-G74 VanDerWaalsContact N-C 3.31Å; D30-G74 PolarHBondContact N-O 2.64Å; D30-G74 VanDerWaalsContact OD1-O 3.1Å; L72-G74 PolarHBondContact O-N 2.79Å; G74-R79 PolarHBondContact O-NE 2.66Å; G74-R79 PolarHBondContact O-NH2 2.97Å
75G95.7Very high96.2Very high24 Ų2449.2 Ų49.225%0.24723%0.23CC..SBendtrans-67.6141-175.100000111.5D30 R77 I78 R79D30-G75 WeakPolarHBondContact OD1-CA 3.31Å; G75-R77 PolarHBondContact O-N 2.8Å; G75-I78 VanDerWaalsContact O-CG2 3.26Å; G75-I78 WeakPolarHBondContact O-CG2 3.31Å; G75-I78 PolarHBondContact O-N 3.47Å; G75-R79 WeakPolarHBondContact O-CG 3.43Å; G75-R79 PolarHBondContact O-N 2.78Å
76K94.7Very high96.4Very high165 Ų16548.9 Ų48.972%0.71723%0.228SC*.THydrogen-bonded Turntrans-46.2-39.4-176.3-171171.7-177.5172.10114.7I78K76-I78 VanDerWaalsContact C-N 3.34Å; K76-I78 PolarHBondContact O-N 2.73Å
77R93.2Very high96.5Very high243 Ų24345.4 Ų45.492%0.91721%0.212SC*.THydrogen-bonded Turntrans-73.8-17.4-180-64.3-167.4-60.9-87.50.4115.2G75G75-R77 PolarHBondContact O-N 2.8Å
78I93.2Very high96.5Very high50 Ų5047.9 Ų47.926%0.25622%0.224SC..THydrogen-bonded Turntrans-110.2-12-174.9-161.365.4000112.7G73 G75 K76 D80 I81G73-I78 WeakPolarHBondContact O-CG2 3.38Å; G75-I78 VanDerWaalsContact O-CG2 3.26Å; G75-I78 WeakPolarHBondContact O-CG2 3.31Å; G75-I78 PolarHBondContact O-N 3.47Å; K76-I78 VanDerWaalsContact C-N 3.34Å; K76-I78 PolarHBondContact O-N 2.73Å; I78-D80 PolarHBondContact O-N 3.42Å; I78-I81 HydrophobicContact CD1-CD1 4.05Å; I78-I81 HydrophobicContact CD1-CG2 3.73Å; I78-I81 HydrophobicContact CG1-CD1 3.74Å; I78-I81 HydrophobicContact CG1-CG1 4.26Å; I78-I81 HydrophobicContact CG1-CG2 4.25Å; I78-I81 VanDerWaalsContact O-CG1 3.28Å; I78-I81 WeakPolarHBondContact O-CG1 3.42Å; I78-I81 PolarHBondContact O-N 3.13Å
79R95.8Very high96.5Very high30 Ų3046.7 Ų46.711%0.11322%0.216CC..G310 helixtrans-57-26.8-178.7-61.3-175.4-165.3146.512.5113.7D30 G74 G75 I81 W82 E106 T110D30-R79 IonicContact OD1-NH2 2.83Å; D30-R79 PolarHBondContact OD1-NH2 3.15Å; G74-R79 PolarHBondContact O-NE 2.66Å; G74-R79 PolarHBondContact O-NH2 2.97Å; G75-R79 WeakPolarHBondContact O-CG 3.43Å; G75-R79 PolarHBondContact O-N 2.78Å; R79-I81 PolarHBondContact O-N 3.28Å; R79-I81 VanDerWaalsContact O-N 3.09Å; R79-W82 HydrophobicContact CB-CD2 4.25Å; R79-W82 HydrophobicContact CB-CE3 4.49Å; R79-W82 HydrophobicContact CB-CH2 4.5Å; R79-W82 HydrophobicContact CB-CZ2 4.27Å; R79-W82 HydrophobicContact CG-CH2 4.02Å; R79-W82 HydrophobicContact CG-CZ2 3.75Å; R79-W82 WeakPolarHBondContact O-CB 3.37Å; R79-W82 PolarHBondContact O-N 3.32Å; R79-E106 IonicContact CZ-OE1 3.43Å; R79-E106 IonicContact NH1-OE1 3.91Å; R79-E106 PolarHBondContact NH1-OE1 3.05Å; R79-E106 IonicContact NH2-OE1 2.84Å; R79-E106 PolarHBondContact NH2-OE1 3.44Å; R79-T110 PolarHBondContact NH1-OG1 3.41Å
80D94.5Very high96.5Very high120 Ų12047.3 Ų47.364%0.64222%0.219SC*.G310 helixtrans-59.7-21.7177.8-71.5-16.7000113.7I78 W82 K83I78-D80 PolarHBondContact O-N 3.42Å; D80-W82 VanDerWaalsContact C-N 3.28Å; D80-W82 PolarHBondContact O-N 2.72Å; D80-K83 WeakPolarHBondContact O-CD 3.37Å; D80-K83 VanDerWaalsContact O-CE 3.23Å; D80-K83 WeakPolarHBondContact O-CE 3.38Å; D80-K83 WeakPolarHBondContact O-CG 3.22Å
81I94.9Very high96.5Very high36 Ų3646.6 Ų46.619%0.18522%0.216CC..G310 helixtrans-75.2-17.5177.480177.1000112.6G54 I78 R79 K83 N84 Y85G54-I81 WeakPolarHBondContact O-CD1 3.44Å; I78-I81 HydrophobicContact CD1-CD1 4.05Å; I78-I81 HydrophobicContact CD1-CG2 3.73Å; I78-I81 HydrophobicContact CG1-CD1 3.74Å; I78-I81 HydrophobicContact CG1-CG1 4.26Å; I78-I81 HydrophobicContact CG1-CG2 4.25Å; I78-I81 VanDerWaalsContact O-CG1 3.28Å; I78-I81 WeakPolarHBondContact O-CG1 3.42Å; I78-I81 PolarHBondContact O-N 3.13Å; R79-I81 PolarHBondContact O-N 3.28Å; R79-I81 VanDerWaalsContact O-N 3.09Å; I81-K83 PolarHBondContact O-N 2.71Å; I81-N84 VanDerWaalsContact O-CB 3.25Å; I81-N84 WeakPolarHBondContact O-CB 3.48Å; I81-N84 PolarHBondContact O-N 2.93Å; I81-Y85 HydrophobicContact CG1-CE2 4.36Å; I81-Y85 WeakPolarHBondContact O-CD2 3.36Å
82W97.8Very high96.6Very high6 Ų646.5 Ų46.52%0.02322%0.216CC..G310 helixtrans-58.6-37-173.4-64.1-5.3000112.6V27 G28 L72 G73 R79 D80 N84 Y85 Y86 T110 V114V27-W82 HydrophobicContact CB-CD2 4.12Å; V27-W82 HydrophobicContact CB-CE3 4Å; V27-W82 HydrophobicContact CB-CH2 4.05Å; V27-W82 HydrophobicContact CB-CZ2 4.14Å; V27-W82 HydrophobicContact CB-CZ3 3.97Å; V27-W82 HydrophobicContact CG1-CB 4.48Å; V27-W82 HydrophobicContact CG1-CD2 3.74Å; V27-W82 HydrophobicContact CG1-CE3 3.99Å; V27-W82 HydrophobicContact CG1-CG 4Å; V27-W82 HydrophobicContact CG1-CZ2 4.46Å; V27-W82 HydrophobicContact CG1-CZ3 4.46Å; G28-W82 WeakPolarHBondContact O-CZ2 3.4Å; L72-W82 HydrophobicContact CB-CG 4.47Å; L72-W82 HydrophobicContact CD1-CB 3.98Å; L72-W82 HydrophobicContact CD1-CG 3.9Å; G73-W82 PolarHBondContact O-NE1 2.67Å; R79-W82 HydrophobicContact CB-CD2 4.25Å; R79-W82 HydrophobicContact CB-CE3 4.49Å; R79-W82 HydrophobicContact CB-CH2 4.5Å; R79-W82 HydrophobicContact CB-CZ2 4.27Å; R79-W82 HydrophobicContact CG-CH2 4.02Å; R79-W82 HydrophobicContact CG-CZ2 3.75Å; R79-W82 WeakPolarHBondContact O-CB 3.37Å; R79-W82 PolarHBondContact O-N 3.32Å; D80-W82 VanDerWaalsContact C-N 3.28Å; D80-W82 PolarHBondContact O-N 2.72Å; W82-N84 PolarHBondContact O-N 3.44Å; W82-N84 VanDerWaalsContact O-N 3.08Å; W82-Y85 PolarHBondContact O-N 3.26Å; W82-Y86 HydrophobicContact CB-CE1 3.78Å; W82-Y86 VanDerWaalsContact CB-OH 3.27Å; W82-Y86 WeakPolarHBondContact CB-OH 3.41Å; W82-Y86 VanDerWaalsContact O-CD1 3.24Å; W82-Y86 WeakPolarHBondContact O-CD1 3.39Å; W82-Y86 WeakPolarHBondContact O-CE1 3.36Å; W82-T110 HydrophobicContact CH2-CG2 3.61Å; W82-T110 HydrophobicContact CZ3-CG2 3.43Å; W82-T110 VanDerWaalsContact CZ3-CG2 3.43Å; W82-V114 HydrophobicContact CE3-CG2 3.8Å; W82-V114 HydrophobicContact CZ3-CG2 3.71Å
83K96.5Very high96.7Very high108 Ų10846.6 Ų46.647%0.4722%0.216SC..G310 helixtrans-57.9-24.117871.5-164.8176.9-175.60114.1D80 I81 Y85 Y86D80-K83 WeakPolarHBondContact O-CD 3.37Å; D80-K83 VanDerWaalsContact O-CE 3.23Å; D80-K83 WeakPolarHBondContact O-CE 3.38Å; D80-K83 WeakPolarHBondContact O-CG 3.22Å; I81-K83 PolarHBondContact O-N 2.71Å; K83-Y85 PolarHBondContact O-N 2.88Å; K83-Y86 VanDerWaalsContact CA-CD2 3.48Å; K83-Y86 HydrophobicContact CB-CD2 4.12Å; K83-Y86 HydrophobicContact CB-CE2 4.14Å
84N96Very high96.8Very high73 Ų7346.6 Ų46.639%0.3922%0.216SC..G310 helixtrans-70.2-18.3178.7-57.2-11.2000112.1I81 W82 Q208I81-N84 VanDerWaalsContact O-CB 3.25Å; I81-N84 WeakPolarHBondContact O-CB 3.48Å; I81-N84 PolarHBondContact O-N 2.93Å; W82-N84 PolarHBondContact O-N 3.44Å; W82-N84 VanDerWaalsContact O-N 3.08Å; N84-Q208 PolarHBondContact O-NE2 3.46Å
85Y97.7Very high96.9Very high33 Ų3346.4 Ų46.413%0.12921%0.214CC..THydrogen-bonded Turntrans-107.8-8.5-177-57.4-89.5000113.3F55 F70 L72 I81 W82 K83 S87 E88 S89F55-Y85 AromaticContact CD1-CZ 3.93Å; F55-Y85 WeakPolarHBondContact CD1-OH 3.35Å; F55-Y85 AromaticContact CD2-CE1 3.93Å; F55-Y85 HydrophobicContact CD2-CE1 3.93Å; F55-Y85 WeakPolarHBondContact CE1-OH 3.48Å; F55-Y85 HydrophobicContact CE2-CE1 4.17Å; F55-Y85 HydrophobicContact CG-CE1 4.14Å; F55-Y85 AromaticContact CG-CZ 3.78Å; F55-Y85 WeakPolarHBondContact CG-OH 3.46Å; F70-Y85 HydrophobicContact CB-CD1 4.27Å; F70-Y85 AromaticContact CD1-CD1 3.87Å; F70-Y85 HydrophobicContact CD1-CD1 3.87Å; F70-Y85 HydrophobicContact CD1-CE1 4.04Å; F70-Y85 HydrophobicContact CD2-CD1 4.03Å; F70-Y85 HydrophobicContact CE1-CD1 4.13Å; F70-Y85 HydrophobicContact CE1-CE1 4.23Å; F70-Y85 HydrophobicContact CE2-CD1 4.26Å; F70-Y85 AromaticContact CG-CD1 3.81Å; F70-Y85 HydrophobicContact CG-CD1 3.81Å; F70-Y85 HydrophobicContact CG-CE1 4.42Å; F70-Y85 HydrophobicContact CZ-CD1 4.32Å; L72-Y85 HydrophobicContact CD1-CD2 3.72Å; L72-Y85 HydrophobicContact CD1-CE2 4.43Å; L72-Y85 HydrophobicContact CD1-CG 4.14Å; L72-Y85 HydrophobicContact CD2-CD1 4.37Å; L72-Y85 HydrophobicContact CD2-CD2 3.75Å; L72-Y85 HydrophobicContact CD2-CE1 4.4Å; L72-Y85 HydrophobicContact CD2-CE2 3.8Å; L72-Y85 HydrophobicContact CD2-CG 4.06Å; L72-Y85 HydrophobicContact CG-CD2 4.45Å; I81-Y85 HydrophobicContact CG1-CE2 4.36Å; I81-Y85 WeakPolarHBondContact O-CD2 3.36Å; W82-Y85 PolarHBondContact O-N 3.26Å; K83-Y85 PolarHBondContact O-N 2.88Å; Y85-S87 VanDerWaalsContact C-N 3.34Å; Y85-S87 PolarHBondContact O-N 3.37Å; Y85-E88 PolarHBondContact O-N 2.96Å; Y85-S89 PolarHBondContact O-N 2.9Å
86Y98.4Very high97Very high13 Ų1345.3 Ų45.35%0.05120%0.202CC..THydrogen-bonded Turntrans-69.1-29.2-175.3-65.7-16.3000113.8V25 W82 K83 S89 V114 H117 I120 K123V25-Y86 HydrophobicContact CG2-CD1 4.4Å; W82-Y86 HydrophobicContact CB-CE1 3.78Å; W82-Y86 VanDerWaalsContact CB-OH 3.27Å; W82-Y86 WeakPolarHBondContact CB-OH 3.41Å; W82-Y86 VanDerWaalsContact O-CD1 3.24Å; W82-Y86 WeakPolarHBondContact O-CD1 3.39Å; W82-Y86 WeakPolarHBondContact O-CE1 3.36Å; K83-Y86 VanDerWaalsContact CA-CD2 3.48Å; K83-Y86 HydrophobicContact CB-CD2 4.12Å; K83-Y86 HydrophobicContact CB-CE2 4.14Å; Y86-S89 PolarHBondContact O-N 2.89Å; Y86-V114 WeakPolarHBondContact OH-CG2 3.38Å; Y86-H117 HydrophobicContact CD2-CB 3.95Å; Y86-H117 AromaticContact CD2-CD2 3.74Å; Y86-H117 AromaticContact CD2-CE1 3.75Å; Y86-H117 AromaticContact CD2-CG 3.42Å; Y86-H117 VanDerWaalsContact CD2-CG 3.42Å; Y86-H117 AromaticContact CD2-ND1 3.43Å; Y86-H117 WeakPolarHBondContact CD2-ND1 3.39Å; Y86-H117 AromaticContact CD2-NE2 3.92Å; Y86-H117 HydrophobicContact CE2-CB 3.96Å; Y86-H117 AromaticContact CE2-CD2 3.91Å; Y86-H117 AromaticContact CE2-CG 3.76Å; Y86-I120 HydrophobicContact CD1-CD1 3.68Å; Y86-I120 HydrophobicContact CD1-CG1 3.84Å; Y86-I120 HydrophobicContact CD2-CD1 4.47Å; Y86-I120 HydrophobicContact CD2-CG1 3.84Å; Y86-I120 HydrophobicContact CE1-CD1 4.39Å; Y86-I120 HydrophobicContact CE1-CG1 4.29Å; Y86-I120 HydrophobicContact CE2-CG1 4.29Å; Y86-I120 HydrophobicContact CG-CD1 3.73Å; Y86-I120 HydrophobicContact CG-CG1 3.6Å; Y86-K123 PolarHBondContact O-NZ 3.43Å
87S97.7Very high97.2Very high1 Ų138 Ų381%0.00717%0.171CC..THydrogen-bonded Turntrans-63.3-45.2177.557.10000111.6Y85 S89 T205 Q208Y85-S87 VanDerWaalsContact C-N 3.34Å; Y85-S87 PolarHBondContact O-N 3.37Å; S87-S89 VanDerWaalsContact C-N 3.26Å; S87-S89 PolarHBondContact O-N 2.58Å; S87-T205 PolarHBondContact O-OG1 3.28Å; S87-Q208 PolarHBondContact OG-OE1 3.29Å
88E97.4Very high97.5Very high54 Ų5426.4 Ų26.425%0.25213%0.127SC..THydrogen-bonded Turntrans-76.7-13.8-176.5-52.4-162.415500112.8T23 Y85 H90 T205 R209T23-E88 WeakPolarHBondContact CB-O 3.13Å; T23-E88 HydrophobicContact CG2-CB 4.43Å; T23-E88 WeakPolarHBondContact CG2-O 3.42Å; Y85-E88 PolarHBondContact O-N 2.96Å; E88-H90 PolarHBondContact O-ND1 2.84Å; E88-T205 HydrophobicContact CG-CG2 3.98Å; E88-T205 PolarHBondContact N-OG1 2.89Å; E88-R209 IonicContact OE1-CZ 2.75Å; E88-R209 IonicContact OE1-NE 2.94Å; E88-R209 IonicContact OE1-NH2 3.57Å; E88-R209 PolarHBondContact OE1-NH2 3.46Å
89S98.3Very high97.7Very high0 Ų025.9 Ų25.90%013%0.128CC..  trans-77.1135-174.6-179.10000113.2Y85 Y86 S87 G91 K123 V201Y85-S89 PolarHBondContact O-N 2.9Å; Y86-S89 PolarHBondContact O-N 2.89Å; S87-S89 VanDerWaalsContact C-N 3.26Å; S87-S89 PolarHBondContact O-N 2.58Å; S89-G91 PolarHBondContact OG-N 2.9Å; S89-G91 PolarHBondContact OG-O 3.4Å; S89-K123 VanDerWaalsContact O-CD 3.28Å; S89-K123 WeakPolarHBondContact O-CD 3.32Å; S89-K123 WeakPolarHBondContact O-CE 3.42Å; S89-K123 PolarHBondContact O-NZ 3.35Å; S89-V201 WeakPolarHBondContact O-CG2 3.44Å
90H98.7Very high97.8Very high14 Ų1426 Ų267%0.06513%0.131CC..SBendtrans-93.5-17.5170.2-59.768.2000112.2V22 T23 E88 I190 I197V22-H90 HydrophobicContact CG1-CB 4.01Å; T23-H90 PolarHBondContact N-ND1 3.01Å; T23-H90 WeakPolarHBondContact O-CB 3.45Å; T23-H90 PolarHBondContact O-N 2.64Å; T23-H90 PolarHBondContact O-ND1 3.43Å; E88-H90 PolarHBondContact O-ND1 2.84Å; H90-I190 HydrophobicContact CB-CD1 4.16Å; H90-I190 HydrophobicContact CB-CG2 4.15Å; H90-I197 HydrophobicContact CB-CG2 3.9Å
91G98.5Very high97.9Very high0 Ų023.8 Ų23.80%012%0.121CC..EExtended strand (participates in β ladder)trans-173.5163.5-177.300000112.1L24 V25 S89 P124L24-G91 WeakPolarHBondContact CA-O 3.38Å; V25-G91 PolarHBondContact N-O 3.39Å; S89-G91 PolarHBondContact OG-N 2.9Å; S89-G91 PolarHBondContact OG-O 3.4Å; G91-P124 WeakPolarHBondContact CA-O 3.26Å
92V98.8Very high98Very high0 Ų031 Ų310%016%0.155CC..EExtended strand (participates in β ladder)trans-114.4137.7-173.6-178.40000110.4V25 V27 F94 V114 I120 P124 V125 L126V25-V92 HydrophobicContact CG2-CB 4.33Å; V25-V92 HydrophobicContact CG2-CG1 4.29Å; V25-V92 HydrophobicContact CG2-CG2 3.83Å; V27-V92 HydrophobicContact CG2-CG1 3.73Å; V92-F94 HydrophobicContact CG1-CB 4.44Å; V92-V114 HydrophobicContact CG1-CG1 4.31Å; V92-I120 HydrophobicContact CG2-CD1 3.74Å; V92-I120 HydrophobicContact CG2-CG1 4.44Å; V92-I120 HydrophobicContact CG2-CG2 3.76Å; V92-P124 PolarHBondContact N-O 3.48Å; V92-V125 HydrophobicContact CB-CG1 4.35Å; V92-V125 HydrophobicContact CB-CG2 4.24Å; V92-V125 CarbonylContact O-C 3.53Å; V92-V125 WeakPolarHBondContact O-CA 3.46Å; V92-L126 PolarHBondContact O-N 2.89Å
93V98.8Very high98Very high3 Ų333.1 Ų33.12%0.01816%0.163CC..EExtended strand (participates in β ladder)trans-108.1109.8161.3-1750000107.7L24 V25 M26 V27 V95 L126 L128 L186L24-V93 HydrophobicContact CD1-CG2 4.38Å; V25-V93 PolarHBondContact O-N 3.34Å; M26-V93 WeakPolarHBondContact CA-O 3.32Å; M26-V93 HydrophobicContact CB-CB 4.48Å; M26-V93 HydrophobicContact CE-CB 4.3Å; M26-V93 HydrophobicContact CE-CG1 4.05Å; M26-V93 HydrophobicContact CG-CB 4.24Å; M26-V93 HydrophobicContact CG-CG1 4.33Å; V27-V93 PolarHBondContact N-O 3.48Å; V93-V95 HydrophobicContact CG1-CG2 4.29Å; V93-L126 CarbonylContact C-O 3.52Å; V93-L126 WeakPolarHBondContact CA-O 3.5Å; V93-L126 HydrophobicContact CG1-CD2 4.28Å; V93-L126 HydrophobicContact CG2-CB 4.47Å; V93-L126 HydrophobicContact CG2-CD2 4.34Å; V93-L128 HydrophobicContact CG1-CD1 3.71Å; V93-L128 HydrophobicContact CG1-CG 3.91Å; V93-L186 HydrophobicContact CG2-CD2 3.71Å
94F98.9Very high98.1Very high1 Ų128.6 Ų28.60%0.00414%0.143CC..EExtended strand (participates in β ladder)trans-100.2116178.5-163.5-78.5000109.5V27 V92 V96 T107 T110 M111 V114 V125 L126 V127 L128V27-F94 HydrophobicContact CG2-CD2 3.83Å; V27-F94 HydrophobicContact CG2-CE2 4.39Å; V27-F94 CarbonylContact O-C 3.55Å; V27-F94 WeakPolarHBondContact O-CA 3.25Å; V92-F94 HydrophobicContact CG1-CB 4.44Å; F94-V96 HydrophobicContact CD1-CG2 3.81Å; F94-V96 HydrophobicContact CE1-CG2 3.92Å; F94-T107 HydrophobicContact CE1-CG2 3.76Å; F94-T107 HydrophobicContact CZ-CG2 4.25Å; F94-T110 HydrophobicContact CE2-CG2 4.48Å; F94-T110 HydrophobicContact CZ-CG2 4.4Å; F94-M111 HydrophobicContact CD1-CG 4.48Å; F94-M111 HydrophobicContact CD1-SD 4.2Å; F94-M111 HydrophobicContact CD2-CB 4.32Å; F94-M111 HydrophobicContact CD2-CG 4.12Å; F94-M111 HydrophobicContact CE1-CB 4.06Å; F94-M111 HydrophobicContact CE1-CG 4.4Å; F94-M111 HydrophobicContact CE1-SD 4.38Å; F94-M111 HydrophobicContact CE2-CB 3.74Å; F94-M111 HydrophobicContact CE2-CG 4.05Å; F94-M111 HydrophobicContact CG-CG 4.35Å; F94-M111 HydrophobicContact CG-SD 4.4Å; F94-M111 HydrophobicContact CZ-CB 3.59Å; F94-M111 HydrophobicContact CZ-CG 4.19Å; F94-V114 HydrophobicContact CE2-CG2 4.17Å; F94-V125 HydrophobicContact CB-CG1 4.5Å; F94-L126 PolarHBondContact N-O 2.9Å; F94-V127 CarbonylContact O-C 3.36Å; F94-V127 VanDerWaalsContact O-CA 3.3Å; F94-V127 WeakPolarHBondContact O-CA 3.35Å; F94-L128 PolarHBondContact O-N 2.82Å
95V98.8Very high98.2Very high1 Ų128.4 Ų28.41%0.00614%0.14CC..EExtended strand (participates in β ladder)trans-100.1126.4-176.8-169.80000110.1M26 V27 A32 K34 V93 L128 N130M26-V95 HydrophobicContact CG-CG2 3.88Å; M26-V95 HydrophobicContact SD-CG2 4.02Å; V27-V95 PolarHBondContact O-N 3.26Å; A32-V95 HydrophobicContact CB-CB 4.31Å; A32-V95 HydrophobicContact CB-CG1 4.09Å; A32-V95 WeakPolarHBondContact CB-O 3.39Å; A32-V95 VanDerWaalsContact O-CG1 3.26Å; A32-V95 WeakPolarHBondContact O-CG1 3.31Å; K34-V95 HydrophobicContact CB-CG2 4.44Å; K34-V95 HydrophobicContact CG-CB 3.78Å; K34-V95 HydrophobicContact CG-CG1 4.48Å; K34-V95 HydrophobicContact CG-CG2 3.74Å; V93-V95 HydrophobicContact CG1-CG2 4.29Å; V95-L128 HydrophobicContact CG1-CB 4.35Å; V95-L128 HydrophobicContact CG2-CB 4.35Å; V95-L128 HydrophobicContact CG2-CD1 4.28Å; V95-N130 HydrophobicContact CG1-CB 3.83Å
96V98.8Very high98.2Very high0 Ų029.4 Ų29.40%015%0.146CC..EExtended strand (participates in β ladder)trans-111.9132.4179.9179.40000108.8F94 S98 I104 T107 V127 L128 N130 I143 L147F94-V96 HydrophobicContact CD1-CG2 3.81Å; F94-V96 HydrophobicContact CE1-CG2 3.92Å; V96-S98 PolarHBondContact O-N 3.32Å; V96-I104 HydrophobicContact CG1-CD1 4.17Å; V96-T107 HydrophobicContact CG1-CG2 4.2Å; V96-T107 HydrophobicContact CG2-CG2 4.03Å; V96-V127 HydrophobicContact CG2-CG1 3.89Å; V96-L128 PolarHBondContact N-O 2.96Å; V96-N130 WeakPolarHBondContact O-CA 3.49Å; V96-N130 VanDerWaalsContact O-CB 3.3Å; V96-N130 WeakPolarHBondContact O-CB 3.43Å; V96-N130 PolarHBondContact O-N 3.5Å; V96-I143 HydrophobicContact CG1-CG2 4.41Å; V96-L147 HydrophobicContact CG2-CD1 4.01Å
97D98.5Very high98.3Very high11 Ų1129 Ų296%0.05915%0.145CC..EExtended strand (participates in β ladder)trans-78.8105.6166.1-169.7-22.6000108.9A32 S99 D100 K131A32-D97 HydrophobicContact CB-CB 4.49Å; D97-S99 PolarHBondContact O-N 3.39Å; D97-S99 PolarHBondContact OD1-N 2.75Å; D97-S99 PolarHBondContact OD1-OG 3.25Å; D97-D100 HydrophobicContact CB-CB 3.86Å; D97-D100 PolarHBondContact O-N 3.08Å; D97-D100 PolarHBondContact OD1-N 2.96Å; D97-K131 WeakPolarHBondContact OD1-CD 3.35Å; D97-K131 IonicContact OD1-NZ 2.64Å; D97-K131 WeakPolarHBondContact OD2-CE 3.3Å; D97-K131 IonicContact OD2-NZ 3.2Å; D97-K131 PolarHBondContact OD2-NZ 3.23Å
98S98.6Very high98.3Very high0 Ų033.1 Ų33.10%016%0.16CC..THydrogen-bonded Turntrans-70.7-19.6-177.5-46.30000112.4V96 A129 N130 Q132 A137 L138 I143V96-S98 PolarHBondContact O-N 3.32Å; S98-A129 PolarHBondContact OG-O 2.87Å; S98-N130 WeakPolarHBondContact CB-O 3.24Å; S98-N130 PolarHBondContact N-O 2.83Å; S98-N130 PolarHBondContact OG-N 3.21Å; S98-N130 PolarHBondContact OG-O 3.15Å; S98-Q132 PolarHBondContact OG-NE2 2.82Å; S98-A137 WeakPolarHBondContact O-CA 3.42Å; S98-L138 WeakPolarHBondContact O-CG 3.32Å; S98-L138 PolarHBondContact O-N 3.08Å; S98-I143 WeakPolarHBondContact OG-CD1 3.46Å
99S98Very high98.4Very high39 Ų3935.2 Ų35.227%0.27317%0.17SC..THydrogen-bonded Turntrans-85.6-13.6179.370.20000113.3D97 V101D97-S99 PolarHBondContact O-N 3.39Å; D97-S99 PolarHBondContact OD1-N 2.75Å; D97-S99 PolarHBondContact OD1-OG 3.25Å; S99-V101 PolarHBondContact O-N 2.87Å
100D97.8Very high98.4Very high33 Ų3335.5 Ų35.518%0.17617%0.172CC..  trans-98.569.2-174-163.5-20000112.1D97 Q102 R103 I104D97-D100 HydrophobicContact CB-CB 3.86Å; D97-D100 PolarHBondContact O-N 3.08Å; D97-D100 PolarHBondContact OD1-N 2.96Å; D100-Q102 PolarHBondContact O-N 2.95Å; D100-R103 PolarHBondContact O-N 3.38Å; D100-R103 PolarHBondContact OD1-N 3.39Å; D100-R103 IonicContact OD1-NE 3.62Å; D100-R103 IonicContact OD2-CZ 2.84Å; D100-R103 IonicContact OD2-NE 3.24Å; D100-R103 PolarHBondContact OD2-NE 2.94Å; D100-R103 IonicContact OD2-NH2 3.88Å; D100-R103 PolarHBondContact OD2-NH2 2.96Å; D100-I104 PolarHBondContact O-N 2.95Å
101V96.9Very high98.4Very high73 Ų7334.8 Ų34.844%0.44217%0.169SC..G310 helixtrans-59.5-31179.2-173.30000111.6S99 R103 I104 L138S99-V101 PolarHBondContact O-N 2.87Å; V101-R103 VanDerWaalsContact C-N 3.31Å; V101-R103 PolarHBondContact O-N 3.39Å; V101-I104 VanDerWaalsContact O-CG2 3.25Å; V101-I104 WeakPolarHBondContact O-CG2 3.49Å; V101-I104 PolarHBondContact O-N 3.44Å; V101-L138 HydrophobicContact CG2-CD1 4.12Å; V101-L138 HydrophobicContact CG2-CD2 4.04Å; V101-L138 HydrophobicContact CG2-CG 3.98Å
102Q97.7Very high98.4Very high189 Ų18935.5 Ų35.588%0.88317%0.174SC*.G310 helixtrans-64.9-34.2-178.4-64.9-175-500112.6D100D100-Q102 PolarHBondContact O-N 2.95Å
103R97.9Very high98.4Very high50 Ų5041.7 Ų41.719%0.18920%0.203CC..G310 helixtrans-100.711.5179.5-63.4-167.7-65.1154.24.5113.8L29 D30 D100 V101 Q105 E106 T107L29-R103 HydrophobicContact CD1-CB 3.95Å; D30-R103 PolarHBondContact O-NH1 2.94Å; D30-R103 PolarHBondContact O-NH2 3.31Å; D30-R103 IonicContact OD1-NH1 3.59Å; D30-R103 IonicContact OD2-CZ 4Å; D30-R103 IonicContact OD2-NH1 3.64Å; D30-R103 PolarHBondContact OD2-NH1 3.25Å; D100-R103 PolarHBondContact O-N 3.38Å; D100-R103 PolarHBondContact OD1-N 3.39Å; D100-R103 IonicContact OD1-NE 3.62Å; D100-R103 IonicContact OD2-CZ 2.84Å; D100-R103 IonicContact OD2-NE 3.24Å; D100-R103 PolarHBondContact OD2-NE 2.94Å; D100-R103 IonicContact OD2-NH2 3.88Å; D100-R103 PolarHBondContact OD2-NH2 2.96Å; V101-R103 VanDerWaalsContact C-N 3.31Å; V101-R103 PolarHBondContact O-N 3.39Å; R103-Q105 VanDerWaalsContact C-N 3.25Å; R103-Q105 PolarHBondContact O-N 3.22Å; R103-E106 PolarHBondContact O-N 3.41Å; R103-T107 PolarHBondContact O-N 3.46Å; R103-T107 PolarHBondContact O-OG1 3.02Å
104I97.9Very high98.3Very high13 Ų1341.6 Ų41.67%0.06720%0.203CC..Hα-helixtrans-62-35-179.8-157.863.3000112.2V96 D100 V101 T107 R108 L138 N146 L147V96-I104 HydrophobicContact CG1-CD1 4.17Å; D100-I104 PolarHBondContact O-N 2.95Å; V101-I104 VanDerWaalsContact O-CG2 3.25Å; V101-I104 WeakPolarHBondContact O-CG2 3.49Å; V101-I104 PolarHBondContact O-N 3.44Å; I104-T107 WeakPolarHBondContact O-CB 3.28Å; I104-T107 PolarHBondContact O-N 3.3Å; I104-R108 PolarHBondContact O-N 3.07Å; I104-L138 HydrophobicContact CD1-CD1 4.4Å; I104-L138 HydrophobicContact CG1-CD1 4.48Å; I104-N146 HydrophobicContact CG1-CB 3.71Å; I104-N146 HydrophobicContact CG2-CB 4.47Å; I104-L147 HydrophobicContact CD1-CD2 3.95Å; I104-L147 HydrophobicContact CD1-CG 4.49Å; I104-L147 HydrophobicContact CG1-CD2 4.22Å
105Q98.3Very high98.3Very high69 Ų6941.6 Ų41.632%0.32220%0.203SC..Hα-helixtrans-67.4-43.5176.8-176.34847.900112.2R103 T107 R108 E109R103-Q105 VanDerWaalsContact C-N 3.25Å; R103-Q105 PolarHBondContact O-N 3.22Å; Q105-T107 VanDerWaalsContact C-N 3.27Å; Q105-T107 PolarHBondContact O-N 2.84Å; Q105-R108 VanDerWaalsContact CD-NH2 3.26Å; Q105-R108 VanDerWaalsContact NE2-CZ 3.32Å; Q105-R108 WeakPolarHBondContact O-CB 3.33Å; Q105-R108 PolarHBondContact O-N 2.89Å; Q105-E109 PolarHBondContact NE2-OE1 3.26Å; Q105-E109 WeakPolarHBondContact O-CG 3.16Å; Q105-E109 PolarHBondContact O-N 3.32Å
106E98.6Very high98.3Very high53 Ų5346.9 Ų46.925%0.24823%0.227CC..Hα-helixtrans-62.6-37.6173-178-176.2178.200111.1L29 R79 R103 E109 T110L29-E106 HydrophobicContact CD1-CB 4.2Å; L29-E106 HydrophobicContact CD1-CG 4.04Å; L29-E106 HydrophobicContact CD2-CG 4.09Å; R79-E106 IonicContact CZ-OE1 3.43Å; R79-E106 IonicContact NH1-OE1 3.91Å; R79-E106 PolarHBondContact NH1-OE1 3.05Å; R79-E106 IonicContact NH2-OE1 2.84Å; R79-E106 PolarHBondContact NH2-OE1 3.44Å; R103-E106 PolarHBondContact O-N 3.41Å; E106-E109 PolarHBondContact O-N 2.86Å; E106-T110 VanDerWaalsContact O-CB 3.28Å; E106-T110 WeakPolarHBondContact O-CB 3.35Å; E106-T110 PolarHBondContact O-N 2.96Å; E106-T110 PolarHBondContact O-OG1 2.89Å
107T98.6Very high98.3Very high6 Ų649.1 Ų49.14%0.03724%0.238CC..Hα-helixtrans-62.5-46.2175.9-57.90000110.7L29 F94 V96 R103 I104 Q105 T110 M111 L147L29-T107 WeakPolarHBondContact CD1-OG1 3.37Å; F94-T107 HydrophobicContact CE1-CG2 3.76Å; F94-T107 HydrophobicContact CZ-CG2 4.25Å; V96-T107 HydrophobicContact CG1-CG2 4.2Å; V96-T107 HydrophobicContact CG2-CG2 4.03Å; R103-T107 PolarHBondContact O-N 3.46Å; R103-T107 PolarHBondContact O-OG1 3.02Å; I104-T107 WeakPolarHBondContact O-CB 3.28Å; I104-T107 PolarHBondContact O-N 3.3Å; Q105-T107 VanDerWaalsContact C-N 3.27Å; Q105-T107 PolarHBondContact O-N 2.84Å; T107-T110 PolarHBondContact O-N 3.24Å; T107-M111 WeakPolarHBondContact O-CB 3.16Å; T107-M111 PolarHBondContact O-N 3.19Å; T107-L147 HydrophobicContact CG2-CD2 3.95Å
108R98.6Very high98.3Very high87 Ų8753.5 Ų53.533%0.32827%0.266SS..Hα-helixtrans-57.6-49.9175.7-176.6179.980.1-173.6-1.5112I104 Q105 T110 M111 A112 N146 L147 L152I104-R108 PolarHBondContact O-N 3.07Å; Q105-R108 VanDerWaalsContact CD-NH2 3.26Å; Q105-R108 VanDerWaalsContact NE2-CZ 3.32Å; Q105-R108 WeakPolarHBondContact O-CB 3.33Å; Q105-R108 PolarHBondContact O-N 2.89Å; R108-T110 VanDerWaalsContact C-N 3.33Å; R108-T110 PolarHBondContact O-N 2.94Å; R108-M111 PolarHBondContact O-N 2.98Å; R108-A112 WeakPolarHBondContact O-CB 3.32Å; R108-A112 PolarHBondContact O-N 3.12Å; R108-N146 WeakPolarHBondContact CD-O 3.49Å; R108-L147 HydrophobicContact CB-CD2 3.91Å; R108-L147 WeakPolarHBondContact CG-O 3.4Å; R108-L152 HydrophobicContact CG-CD1 4.31Å
109E98.6Very high98.2Very high98 Ų9855.9 Ų55.946%0.45828%0.275SS..Hα-helixtrans-62-43.1179.8-73.1165.3-15800111.6Q105 E106 A112 Q113Q105-E109 PolarHBondContact NE2-OE1 3.26Å; Q105-E109 WeakPolarHBondContact O-CG 3.16Å; Q105-E109 PolarHBondContact O-N 3.32Å; E106-E109 PolarHBondContact O-N 2.86Å; E109-A112 PolarHBondContact O-N 3.28Å; E109-Q113 WeakPolarHBondContact O-CG 3.25Å; E109-Q113 PolarHBondContact O-N 3.28Å
110T98.6Very high98.3Very high5 Ų554 Ų543%0.03126%0.262CS..Hα-helixtrans-64-42.4177.1-59.70000111.1L29 R79 W82 F94 E106 T107 R108 Q113 V114L29-T110 HydrophobicContact CD2-CG2 4.05Å; L29-T110 WeakPolarHBondContact CD2-OG1 3.49Å; R79-T110 PolarHBondContact NH1-OG1 3.41Å; W82-T110 HydrophobicContact CH2-CG2 3.61Å; W82-T110 HydrophobicContact CZ3-CG2 3.43Å; W82-T110 VanDerWaalsContact CZ3-CG2 3.43Å; F94-T110 HydrophobicContact CE2-CG2 4.48Å; F94-T110 HydrophobicContact CZ-CG2 4.4Å; E106-T110 VanDerWaalsContact O-CB 3.28Å; E106-T110 WeakPolarHBondContact O-CB 3.35Å; E106-T110 PolarHBondContact O-N 2.96Å; E106-T110 PolarHBondContact O-OG1 2.89Å; T107-T110 PolarHBondContact O-N 3.24Å; R108-T110 VanDerWaalsContact C-N 3.33Å; R108-T110 PolarHBondContact O-N 2.94Å; T110-Q113 PolarHBondContact O-N 3.01Å; T110-V114 WeakPolarHBondContact O-CG2 3.36Å; T110-V114 PolarHBondContact O-N 3.04Å; T110-V114 VanDerWaalsContact O-N 3.09Å
111M98.6Very high98.3Very high0 Ų053.7 Ų53.70%027%0.265CS..Hα-helixtrans-63.7-43.6175.9-172.6168.1-176.500111.7F94 T107 R108 Q113 V114 L115 V125 V127 L147 L149F94-M111 HydrophobicContact CD1-CG 4.48Å; F94-M111 HydrophobicContact CD1-SD 4.2Å; F94-M111 HydrophobicContact CD2-CB 4.32Å; F94-M111 HydrophobicContact CD2-CG 4.12Å; F94-M111 HydrophobicContact CE1-CB 4.06Å; F94-M111 HydrophobicContact CE1-CG 4.4Å; F94-M111 HydrophobicContact CE1-SD 4.38Å; F94-M111 HydrophobicContact CE2-CB 3.74Å; F94-M111 HydrophobicContact CE2-CG 4.05Å; F94-M111 HydrophobicContact CG-CG 4.35Å; F94-M111 HydrophobicContact CG-SD 4.4Å; F94-M111 HydrophobicContact CZ-CB 3.59Å; F94-M111 HydrophobicContact CZ-CG 4.19Å; T107-M111 WeakPolarHBondContact O-CB 3.16Å; T107-M111 PolarHBondContact O-N 3.19Å; R108-M111 PolarHBondContact O-N 2.98Å; M111-Q113 VanDerWaalsContact C-N 3.33Å; M111-Q113 PolarHBondContact O-N 3.38Å; M111-V114 PolarHBondContact O-N 3.16Å; M111-L115 HydrophobicContact CE-CD1 3.86Å; M111-L115 HydrophobicContact CG-CD1 4.08Å; M111-L115 HydrophobicContact CG-CG 4.23Å; M111-L115 WeakPolarHBondContact O-CG 3.35Å; M111-L115 PolarHBondContact O-N 2.71Å; M111-V125 HydrophobicContact CE-CG1 4.34Å; M111-V127 HydrophobicContact CE-CG2 3.62Å; M111-L147 HydrophobicContact SD-CD1 4.14Å; M111-L149 HydrophobicContact CE-CD1 3.21Å; M111-L149 HydrophobicContact SD-CD1 3.9Å
112A98.6Very high98.3Very high14 Ų1452.1 Ų52.112%0.11626%0.263CS..Hα-helixtrans-57.9-45.417600000111.5R108 E109 V114 L115 Q116 L152R108-A112 WeakPolarHBondContact O-CB 3.32Å; R108-A112 PolarHBondContact O-N 3.12Å; E109-A112 PolarHBondContact O-N 3.28Å; A112-V114 VanDerWaalsContact C-N 3.33Å; A112-V114 PolarHBondContact O-N 3.28Å; A112-L115 PolarHBondContact O-N 3.34Å; A112-Q116 VanDerWaalsContact O-CB 3.28Å; A112-Q116 WeakPolarHBondContact O-CB 3.45Å; A112-Q116 WeakPolarHBondContact O-CG 3.33Å; A112-Q116 PolarHBondContact O-N 3.27Å; A112-L152 HydrophobicContact CB-CD1 4.32Å; A112-L152 HydrophobicContact CB-CD2 3.75Å
113Q98.4Very high98.3Very high131 Ų13143.1 Ų43.161%0.61222%0.221SC*.Hα-helixtrans-60.7-40176.2-70.517114.700112.8E109 T110 M111 H117E109-Q113 WeakPolarHBondContact O-CG 3.25Å; E109-Q113 PolarHBondContact O-N 3.28Å; T110-Q113 PolarHBondContact O-N 3.01Å; M111-Q113 VanDerWaalsContact C-N 3.33Å; M111-Q113 PolarHBondContact O-N 3.38Å; Q113-H117 PolarHBondContact O-N 3.48Å
114V98.6Very high98.4Very high1 Ų141.1 Ų41.11%0.00621%0.214CC..Hα-helixtrans-64.2-50.7176.1172.50000110.5V27 W82 Y86 V92 F94 T110 M111 A112 H117 I120V27-V114 HydrophobicContact CG2-CG1 4.27Å; V27-V114 HydrophobicContact CG2-CG2 4.31Å; W82-V114 HydrophobicContact CE3-CG2 3.8Å; W82-V114 HydrophobicContact CZ3-CG2 3.71Å; Y86-V114 WeakPolarHBondContact OH-CG2 3.38Å; V92-V114 HydrophobicContact CG1-CG1 4.31Å; F94-V114 HydrophobicContact CE2-CG2 4.17Å; T110-V114 WeakPolarHBondContact O-CG2 3.36Å; T110-V114 PolarHBondContact O-N 3.04Å; T110-V114 VanDerWaalsContact O-N 3.09Å; M111-V114 PolarHBondContact O-N 3.16Å; A112-V114 VanDerWaalsContact C-N 3.33Å; A112-V114 PolarHBondContact O-N 3.28Å; V114-H117 WeakPolarHBondContact O-CB 3.25Å; V114-H117 PolarHBondContact O-N 2.99Å; V114-I120 HydrophobicContact CG1-CG2 4.26Å; V114-I120 VanDerWaalsContact O-CB 3.31Å; V114-I120 WeakPolarHBondContact O-CB 3.36Å; V114-I120 WeakPolarHBondContact O-CG2 2.82Å
115L98.6Very high98.4Very high0 Ų040.5 Ų40.50%021%0.211CC..Hα-helixtrans-69.9-34.5-174.3-64.7-173.7000113.4M111 A112 H117 I120 V125 L152 V153 N156M111-L115 HydrophobicContact CE-CD1 3.86Å; M111-L115 HydrophobicContact CG-CD1 4.08Å; M111-L115 HydrophobicContact CG-CG 4.23Å; M111-L115 WeakPolarHBondContact O-CG 3.35Å; M111-L115 PolarHBondContact O-N 2.71Å; A112-L115 PolarHBondContact O-N 3.34Å; L115-H117 PolarHBondContact O-N 3.19Å; L115-I120 HydrophobicContact CD2-CG2 4.34Å; L115-V125 HydrophobicContact CD2-CB 4.47Å; L115-V125 HydrophobicContact CD2-CG1 4.29Å; L115-V125 HydrophobicContact CD2-CG2 3.51Å; L115-L152 HydrophobicContact CD1-CB 4.08Å; L115-V153 HydrophobicContact CD1-CG1 4.06Å; L115-N156 HydrophobicContact CB-CB 4.04Å; L115-N156 WeakPolarHBondContact O-CB 3.5Å; L115-N156 PolarHBondContact O-OD1 3.42Å
116Q98.2Very high98.4Very high112 Ų11237.3 Ų37.352%0.52320%0.196SC..Hα-helixtrans-71-15.8176.9-71.1170.418.100113.1A112 N156A112-Q116 VanDerWaalsContact O-CB 3.28Å; A112-Q116 WeakPolarHBondContact O-CB 3.45Å; A112-Q116 WeakPolarHBondContact O-CG 3.33Å; A112-Q116 PolarHBondContact O-N 3.27Å; Q116-N156 VanDerWaalsContact CA-OD1 3.26Å; Q116-N156 WeakPolarHBondContact CA-OD1 3.46Å; Q116-N156 WeakPolarHBondContact CG-OD1 3.29Å
117H98.6Very high98.5Very high48 Ų4834.8 Ų34.822%0.22219%0.185CC..SBendtrans-63.7130.7-178-168.5-83.1000110.6Y86 Q113 V114 L115 R119 I120 A121Y86-H117 HydrophobicContact CD2-CB 3.95Å; Y86-H117 AromaticContact CD2-CD2 3.74Å; Y86-H117 AromaticContact CD2-CE1 3.75Å; Y86-H117 AromaticContact CD2-CG 3.42Å; Y86-H117 VanDerWaalsContact CD2-CG 3.42Å; Y86-H117 AromaticContact CD2-ND1 3.43Å; Y86-H117 WeakPolarHBondContact CD2-ND1 3.39Å; Y86-H117 AromaticContact CD2-NE2 3.92Å; Y86-H117 HydrophobicContact CE2-CB 3.96Å; Y86-H117 AromaticContact CE2-CD2 3.91Å; Y86-H117 AromaticContact CE2-CG 3.76Å; Q113-H117 PolarHBondContact O-N 3.48Å; V114-H117 WeakPolarHBondContact O-CB 3.25Å; V114-H117 PolarHBondContact O-N 2.99Å; L115-H117 PolarHBondContact O-N 3.19Å; H117-R119 PolarHBondContact ND1-N 2.89Å; H117-R119 VanDerWaalsContact ND1-N 3.15Å; H117-R119 PolarHBondContact O-N 3.19Å; H117-I120 HydrophobicContact CB-CB 4.33Å; H117-I120 HydrophobicContact CB-CG1 4.31Å; H117-I120 WeakPolarHBondContact O-CA 3.35Å; H117-I120 PolarHBondContact O-N 3.42Å; H117-A121 PolarHBondContact O-N 3.46Å
118P97.9Very high98.5Very high102 Ų10234.6 Ų34.666%0.66218%0.183SC*.THydrogen-bonded Turntrans-58.4-28.2-174.6-27.934.7000114.8R200P118-R200 PolarHBondContact O-NH2 3.43Å
119R98Very high98.5Very high50 Ų5030.5 Ų30.519%0.18917%0.168CC..THydrogen-bonded Turntrans-81.6-9.2175.6-60.3-178.3175.9156.10.8114.1H117 K123 D204 Q208H117-R119 PolarHBondContact ND1-N 2.89Å; H117-R119 VanDerWaalsContact ND1-N 3.15Å; H117-R119 PolarHBondContact O-N 3.19Å; R119-K123 WeakPolarHBondContact O-CD 3.24Å; R119-K123 WeakPolarHBondContact O-CE 3.46Å; R119-K123 PolarHBondContact O-NZ 3.27Å; R119-D204 HydrophobicContact CG-CB 4.35Å; R119-Q208 VanDerWaalsContact NH1-CD 3.3Å
120I98.5Very high98.4Very high0 Ų026 Ų260%015%0.147CC..THydrogen-bonded Turntrans-109.1-41.1178.1-64.9-55.7000111.6Y86 V92 V114 L115 H117 G122 K123Y86-I120 HydrophobicContact CD1-CD1 3.68Å; Y86-I120 HydrophobicContact CD1-CG1 3.84Å; Y86-I120 HydrophobicContact CD2-CD1 4.47Å; Y86-I120 HydrophobicContact CD2-CG1 3.84Å; Y86-I120 HydrophobicContact CE1-CD1 4.39Å; Y86-I120 HydrophobicContact CE1-CG1 4.29Å; Y86-I120 HydrophobicContact CE2-CG1 4.29Å; Y86-I120 HydrophobicContact CG-CD1 3.73Å; Y86-I120 HydrophobicContact CG-CG1 3.6Å; V92-I120 HydrophobicContact CG2-CD1 3.74Å; V92-I120 HydrophobicContact CG2-CG1 4.44Å; V92-I120 HydrophobicContact CG2-CG2 3.76Å; V114-I120 HydrophobicContact CG1-CG2 4.26Å; V114-I120 VanDerWaalsContact O-CB 3.31Å; V114-I120 WeakPolarHBondContact O-CB 3.36Å; V114-I120 WeakPolarHBondContact O-CG2 2.82Å; L115-I120 HydrophobicContact CD2-CG2 4.34Å; H117-I120 HydrophobicContact CB-CB 4.33Å; H117-I120 HydrophobicContact CB-CG1 4.31Å; H117-I120 WeakPolarHBondContact O-CA 3.35Å; H117-I120 PolarHBondContact O-N 3.42Å; I120-G122 PolarHBondContact O-N 2.88Å; I120-K123 VanDerWaalsContact O-CB 3.25Å; I120-K123 WeakPolarHBondContact O-CB 3.43Å; I120-K123 PolarHBondContact O-N 3.32Å
121A98.3Very high98.4Very high27 Ų2727.3 Ų27.322%0.22315%0.152CC..THydrogen-bonded Turntrans-47.8131.8-179.300000111.6H117 K123 N156 R200H117-A121 PolarHBondContact O-N 3.46Å; A121-K123 VanDerWaalsContact C-N 3.33Å; A121-K123 PolarHBondContact O-N 3.49Å; A121-N156 CarbonylContact C-O 3.59Å; A121-R200 VanDerWaalsContact O-CZ 3.26Å; A121-R200 PolarHBondContact O-NH1 2.98Å; A121-R200 PolarHBondContact O-NH2 2.92Å
122G97.7Very high98.3Very high39 Ų3930.3 Ų30.340%0.40217%0.166SC..THydrogen-bonded Turntrans83.6-9.7-175.300000116.2I120 N156 K157 C158I120-G122 PolarHBondContact O-N 2.88Å; G122-N156 PolarHBondContact N-O 2.92Å; G122-K157 WeakPolarHBondContact CA-O 3.44Å; G122-C158 PolarHBondContact N-SG 2.9Å
123K98.3Very high98.1Very high1 Ų132.3 Ų32.30%0.00418%0.175CC..SBendtrans-85.2148.9174.1-63.3-180178.6167.90110.1Y86 S89 R119 I120 A121 C158Y86-K123 PolarHBondContact O-NZ 3.43Å; S89-K123 VanDerWaalsContact O-CD 3.28Å; S89-K123 WeakPolarHBondContact O-CD 3.32Å; S89-K123 WeakPolarHBondContact O-CE 3.42Å; S89-K123 PolarHBondContact O-NZ 3.35Å; R119-K123 WeakPolarHBondContact O-CD 3.24Å; R119-K123 WeakPolarHBondContact O-CE 3.46Å; R119-K123 PolarHBondContact O-NZ 3.27Å; I120-K123 VanDerWaalsContact O-CB 3.25Å; I120-K123 WeakPolarHBondContact O-CB 3.43Å; I120-K123 PolarHBondContact O-N 3.32Å; A121-K123 VanDerWaalsContact C-N 3.33Å; A121-K123 PolarHBondContact O-N 3.49Å; K123-C158 WeakPolarHBondContact O-CB 3.38Å; K123-C158 PolarHBondContact O-SG 3.32Å
124P98.5Very high98Very high8 Ų829.8 Ų29.85%0.05217%0.165CC..  trans-68.6145.9178.828.5-34.7000111.8G91 V92 L159 L186 I190G91-P124 WeakPolarHBondContact CA-O 3.26Å; V92-P124 PolarHBondContact N-O 3.48Å; P124-L159 CarbonylContact C-O 3.56Å; P124-L159 VanDerWaalsContact CA-O 3.32Å; P124-L159 WeakPolarHBondContact CA-O 3.16Å; P124-L159 HydrophobicContact CB-CB 4.4Å; P124-L186 HydrophobicContact CB-CD1 3.74Å; P124-L186 HydrophobicContact CG-CD1 3.84Å; P124-I190 HydrophobicContact CG-CD1 4.26Å; P124-I190 HydrophobicContact CG-CG1 3.46Å; P124-I190 VanDerWaalsContact CG-CG1 3.46Å
125V98.8Very high97.8Very high0 Ų039.2 Ų39.20%021%0.209CC..EExtended strand (participates in β ladder)trans-128.7125.8-173.9-178.50000109.3V92 F94 M111 L115 V127 C158 L159 C160 Q161 W185V92-V125 HydrophobicContact CB-CG1 4.35Å; V92-V125 HydrophobicContact CB-CG2 4.24Å; V92-V125 CarbonylContact O-C 3.53Å; V92-V125 WeakPolarHBondContact O-CA 3.46Å; F94-V125 HydrophobicContact CB-CG1 4.5Å; M111-V125 HydrophobicContact CE-CG1 4.34Å; L115-V125 HydrophobicContact CD2-CB 4.47Å; L115-V125 HydrophobicContact CD2-CG1 4.29Å; L115-V125 HydrophobicContact CD2-CG2 3.51Å; V125-V127 HydrophobicContact CG1-CG2 4.37Å; V125-C158 HydrophobicContact CG2-CB 3.83Å; V125-L159 PolarHBondContact N-O 3.24Å; V125-C160 VanDerWaalsContact O-CA 3.3Å; V125-C160 WeakPolarHBondContact O-CA 3.29Å; V125-Q161 PolarHBondContact O-N 2.9Å; V125-Q161 VanDerWaalsContact O-N 3.13Å; V125-W185 WeakPolarHBondContact O-CZ3 3.47Å
126L98.9Very high97.5Very high2 Ų242 Ų421%0.0124%0.238CC..EExtended strand (participates in β ladder)trans-101.1123168.1173.763.9000108.8V92 V93 F94 L128 Q161 E163 L186V92-L126 PolarHBondContact O-N 2.89Å; V93-L126 CarbonylContact C-O 3.52Å; V93-L126 WeakPolarHBondContact CA-O 3.5Å; V93-L126 HydrophobicContact CG1-CD2 4.28Å; V93-L126 HydrophobicContact CG2-CB 4.47Å; V93-L126 HydrophobicContact CG2-CD2 4.34Å; F94-L126 PolarHBondContact N-O 2.9Å; L126-L128 HydrophobicContact CD1-CD2 4.28Å; L126-L128 HydrophobicContact CD2-CD2 3.93Å; L126-L128 HydrophobicContact CD2-CG 4.37Å; L126-L128 HydrophobicContact CG-CD2 4Å; L126-L128 HydrophobicContact CG-CG 4.34Å; L126-Q161 CarbonylContact C-O 3.48Å; L126-Q161 WeakPolarHBondContact CA-O 3.45Å; L126-E163 HydrophobicContact CD1-CG 4.13Å; L126-L186 HydrophobicContact CB-CB 4.35Å; L126-L186 HydrophobicContact CB-CD2 3.97Å
127V98.9Very high97.5Very high0 Ų037.7 Ų37.70%022%0.221CC..EExtended strand (participates in β ladder)trans-96120.8170.4-177.30000108.7F94 V96 M111 V125 L149 Q161 I162 E163F94-V127 CarbonylContact O-C 3.36Å; F94-V127 VanDerWaalsContact O-CA 3.3Å; F94-V127 WeakPolarHBondContact O-CA 3.35Å; V96-V127 HydrophobicContact CG2-CG1 3.89Å; M111-V127 HydrophobicContact CE-CG2 3.62Å; V125-V127 HydrophobicContact CG1-CG2 4.37Å; V127-L149 HydrophobicContact CG2-CD1 4.22Å; V127-L149 HydrophobicContact CG2-CD2 4.28Å; V127-Q161 PolarHBondContact N-O 2.95Å; V127-I162 HydrophobicContact CB-CB 4.06Å; V127-I162 HydrophobicContact CB-CD1 4.47Å; V127-I162 HydrophobicContact CB-CG1 4.03Å; V127-I162 HydrophobicContact CG1-CD1 4.03Å; V127-I162 HydrophobicContact CG1-CG1 3.99Å; V127-I162 CarbonylContact O-C 3.57Å; V127-I162 VanDerWaalsContact O-CA 3.29Å; V127-I162 WeakPolarHBondContact O-CA 3.3Å; V127-E163 PolarHBondContact O-N 3.03Å
128L98.8Very high97.5Very high2 Ų236.4 Ų36.41%0.0122%0.216CC..EExtended strand (participates in β ladder)trans-97104.1170-64.7-176.4000108.2A37 V93 F94 V95 V96 L126 N130 E163 I179A37-L128 HydrophobicContact CB-CD1 4.46Å; V93-L128 HydrophobicContact CG1-CD1 3.71Å; V93-L128 HydrophobicContact CG1-CG 3.91Å; F94-L128 PolarHBondContact O-N 2.82Å; V95-L128 HydrophobicContact CG1-CB 4.35Å; V95-L128 HydrophobicContact CG2-CB 4.35Å; V95-L128 HydrophobicContact CG2-CD1 4.28Å; V96-L128 PolarHBondContact N-O 2.96Å; L126-L128 HydrophobicContact CD1-CD2 4.28Å; L126-L128 HydrophobicContact CD2-CD2 3.93Å; L126-L128 HydrophobicContact CD2-CG 4.37Å; L126-L128 HydrophobicContact CG-CD2 4Å; L126-L128 HydrophobicContact CG-CG 4.34Å; L128-N130 PolarHBondContact O-N 2.96Å; L128-E163 HydrophobicContact CD2-CB 4.28Å; L128-I179 HydrophobicContact CD1-CG1 4.49Å; L128-I179 HydrophobicContact CD2-CG1 4.5Å
129A98.6Very high97.5Very high0 Ų034.6 Ų34.60%020%0.204CC..EExtended strand (participates in β ladder)trans-76.481.1170.900000108.3S98 Q132 I143 I162 E163 P164 C165S98-A129 PolarHBondContact OG-O 2.87Å; A129-Q132 WeakPolarHBondContact O-CG 3.41Å; A129-I143 HydrophobicContact CB-CD1 3.35Å; A129-I162 HydrophobicContact CB-CD1 4.08Å; A129-I162 HydrophobicContact CB-CG1 4.07Å; A129-E163 PolarHBondContact N-O 3.48Å; A129-P164 WeakPolarHBondContact O-CA 3.41Å; A129-C165 PolarHBondContact O-N 3.27Å
130N98.4Very high97.5Very high5 Ų536 Ų363%0.02721%0.213CC..EExtended strand (participates in β ladder)trans-84.5165.7-166.8-168.833000112.4A32 V95 V96 S98 L128 C165 S166 A167A32-N130 PolarHBondContact O-ND2 3.23Å; V95-N130 HydrophobicContact CG1-CB 3.83Å; V96-N130 WeakPolarHBondContact O-CA 3.49Å; V96-N130 VanDerWaalsContact O-CB 3.3Å; V96-N130 WeakPolarHBondContact O-CB 3.43Å; V96-N130 PolarHBondContact O-N 3.5Å; S98-N130 WeakPolarHBondContact CB-O 3.24Å; S98-N130 PolarHBondContact N-O 2.83Å; S98-N130 PolarHBondContact OG-N 3.21Å; S98-N130 PolarHBondContact OG-O 3.15Å; L128-N130 PolarHBondContact O-N 2.96Å; N130-C165 CarbonylContact C-O 3.52Å; N130-C165 VanDerWaalsContact CA-O 3.29Å; N130-C165 WeakPolarHBondContact CA-O 3.3Å; N130-S166 WeakPolarHBondContact OD1-CA 3.28Å; N130-A167 WeakPolarHBondContact OD1-CB 3.43Å; N130-A167 PolarHBondContact OD1-N 2.97Å
131K97Very high97.4Very high32 Ų3238.6 Ų38.614%0.13924%0.235CC..  trans68.132.7179.1-46.4-161.6-167.11720115N31 D97 D133 L134 A137 C165N31-K131 PolarHBondContact ND2-NZ 3.37Å; N31-K131 WeakPolarHBondContact O-CE 3.45Å; N31-K131 PolarHBondContact O-NZ 3.14Å; D97-K131 WeakPolarHBondContact OD1-CD 3.35Å; D97-K131 IonicContact OD1-NZ 2.64Å; D97-K131 WeakPolarHBondContact OD2-CE 3.3Å; D97-K131 IonicContact OD2-NZ 3.2Å; D97-K131 PolarHBondContact OD2-NZ 3.23Å; K131-D133 WeakPolarHBondContact CA-OD1 3.49Å; K131-D133 PolarHBondContact O-N 3.46Å; K131-D133 VanDerWaalsContact O-N 3.12Å; K131-L134 HydrophobicContact CB-CD1 3.95Å; K131-L134 HydrophobicContact CB-CG 4.19Å; K131-L134 HydrophobicContact CD-CD1 3.81Å; K131-L134 PolarHBondContact O-N 3.39Å; K131-L134 VanDerWaalsContact O-N 3.08Å; K131-A137 WeakPolarHBondContact O-CB 3.34Å; K131-C165 PolarHBondContact N-O 3.2Å
132Q97.2Very high97.4Very high62 Ų6240.3 Ų40.329%0.2924%0.24SC..THydrogen-bonded Turntrans-65.5-7.7174.3-65.7-69.6-40.500113.6S98 A129 L134 L138 P164 C165S98-Q132 PolarHBondContact OG-NE2 2.82Å; A129-Q132 WeakPolarHBondContact O-CG 3.41Å; Q132-L134 VanDerWaalsContact C-N 3.33Å; Q132-L138 PolarHBondContact NE2-O 2.95Å; Q132-P164 HydrophobicContact CG-CB 3.92Å; Q132-C165 WeakPolarHBondContact CG-O 3.27Å; Q132-C165 PolarHBondContact N-O 2.98Å; Q132-C165 VanDerWaalsContact N-O 3.13Å
133D94.3Very high97.5Very high57 Ų5738.5 Ų38.531%0.30522%0.221SC..THydrogen-bonded Turntrans-77.1-16.2171.258.4-74.5000113.9K131 S166 I168 L169K131-D133 WeakPolarHBondContact CA-OD1 3.49Å; K131-D133 PolarHBondContact O-N 3.46Å; K131-D133 VanDerWaalsContact O-N 3.12Å; D133-S166 VanDerWaalsContact CG-OG 3.24Å; D133-S166 WeakPolarHBondContact OD1-CB 3.49Å; D133-S166 PolarHBondContact OD1-OG 3.42Å; D133-I168 VanDerWaalsContact OD2-CD1 3.26Å; D133-I168 WeakPolarHBondContact OD2-CD1 3.4Å; D133-L169 HydrophobicContact CB-CD1 3.74Å; D133-L169 HydrophobicContact CB-CD2 4.36Å; D133-L169 HydrophobicContact CB-CG 3.9Å
134L95.6Very high97.5Very high78 Ų7840.4 Ų40.441%0.40823%0.231SC..SBendtrans-88.9144.4-178.8-60-176.5000111.6K131 Q132 A137K131-L134 HydrophobicContact CB-CD1 3.95Å; K131-L134 HydrophobicContact CB-CG 4.19Å; K131-L134 HydrophobicContact CD-CD1 3.81Å; K131-L134 PolarHBondContact O-N 3.39Å; K131-L134 VanDerWaalsContact O-N 3.08Å; Q132-L134 VanDerWaalsContact C-N 3.33Å; L134-A137 VanDerWaalsContact O-CB 3.3Å; L134-A137 WeakPolarHBondContact O-CB 3.24Å; L134-A137 PolarHBondContact O-N 3.31Å
135E94.8Very high97.5Very high199 Ų19946.7 Ų46.793%0.9326%0.26SS*.THydrogen-bonded Turntrans-64.3137.3172.8-171.5174.1-16900110.6A137E135-A137 VanDerWaalsContact C-N 3.28Å; E135-A137 PolarHBondContact O-N 3.01Å
136G93.3Very high97.4Very high58 Ų5849.8 Ų49.860%0.59828%0.276SS*.THydrogen-bonded Turntrans78.27.4-176.900000114.7L138G136-L138 PolarHBondContact O-N 2.68Å
137A97.8Very high97.4Very high21 Ų2149.7 Ų49.717%0.17428%0.276CS..PPolyproline II helixtrans-60.4128169.700000111.1S98 K131 L134 E135S98-A137 WeakPolarHBondContact O-CA 3.42Å; K131-A137 WeakPolarHBondContact O-CB 3.34Å; L134-A137 VanDerWaalsContact O-CB 3.3Å; L134-A137 WeakPolarHBondContact O-CB 3.24Å; L134-A137 PolarHBondContact O-N 3.31Å; E135-A137 VanDerWaalsContact C-N 3.28Å; E135-A137 PolarHBondContact O-N 3.01Å
138L98.2Very high97.4Very high22 Ų2252 Ų5212%0.11529%0.292CS..PPolyproline II helixtrans-63.5134.1177.8-67.1176.7000110.6S98 V101 I104 Q132 G136 D142 I143S98-L138 WeakPolarHBondContact O-CG 3.32Å; S98-L138 PolarHBondContact O-N 3.08Å; V101-L138 HydrophobicContact CG2-CD1 4.12Å; V101-L138 HydrophobicContact CG2-CD2 4.04Å; V101-L138 HydrophobicContact CG2-CG 3.98Å; I104-L138 HydrophobicContact CD1-CD1 4.4Å; I104-L138 HydrophobicContact CG1-CD1 4.48Å; Q132-L138 PolarHBondContact NE2-O 2.95Å; G136-L138 PolarHBondContact O-N 2.68Å; L138-D142 HydrophobicContact CB-CB 4.23Å; L138-D142 HydrophobicContact CD2-CB 4.19Å; L138-I143 HydrophobicContact CB-CD1 4.28Å; L138-I143 HydrophobicContact CB-CG1 3.79Å; L138-I143 HydrophobicContact CD1-CG1 4.46Å
139P97.8Very high97.3Very high64 Ų6452.3 Ų52.342%0.41629%0.293SS..PPolyproline II helixtrans-67.3165171.430.7-35.9000111.2A141 D142 I143P139-A141 VanDerWaalsContact C-N 3.31Å; P139-A141 PolarHBondContact O-N 3.01Å; P139-D142 VanDerWaalsContact CD-OD2 3.25Å; P139-D142 WeakPolarHBondContact CD-OD2 3.36Å; P139-D142 HydrophobicContact CG-CB 4.02Å; P139-D142 WeakPolarHBondContact CG-OD2 3.42Å; P139-D142 PolarHBondContact O-N 3.41Å; P139-D142 VanDerWaalsContact O-N 3.17Å; P139-I143 PolarHBondContact O-N 3.06Å; P139-I143 VanDerWaalsContact O-N 3.14Å
140E97.4Very high97.3Very high78 Ų7858.8 Ų58.836%0.36432%0.324SS..Hα-helixtrans-51.8-45.5-178.7-175.3-177.7150.700113.2D142 I143 I144 I162 P164E140-D142 PolarHBondContact O-N 3.46Å; E140-I143 PolarHBondContact O-N 3.43Å; E140-I144 HydrophobicContact CG-CD1 4.06Å; E140-I144 VanDerWaalsContact O-CG1 3.32Å; E140-I144 WeakPolarHBondContact O-CG1 3.49Å; E140-I144 PolarHBondContact O-N 3.18Å; E140-I162 HydrophobicContact CG-CB 4.5Å; E140-I162 HydrophobicContact CG-CD1 4.09Å; E140-I162 HydrophobicContact CG-CG1 4.16Å; E140-I162 HydrophobicContact CG-CG2 3.59Å; E140-I162 VanDerWaalsContact OE1-CG2 3.27Å; E140-I162 WeakPolarHBondContact OE1-CG2 3.33Å; E140-P164 WeakPolarHBondContact OE2-CD 3.27Å
141A98.1Very high97.2Very high56 Ų5664.7 Ų64.746%0.46335%0.349SS..Hα-helixtrans-59.9-46.3179.900000112.2P139 I143 I144 E145P139-A141 VanDerWaalsContact C-N 3.31Å; P139-A141 PolarHBondContact O-N 3.01Å; A141-I143 VanDerWaalsContact C-N 3.29Å; A141-I143 PolarHBondContact O-N 3.45Å; A141-I144 WeakPolarHBondContact O-CB 3.37Å; A141-I144 PolarHBondContact O-N 2.74Å; A141-I144 VanDerWaalsContact O-N 3.17Å; A141-E145 WeakPolarHBondContact O-CG 3.4Å; A141-E145 PolarHBondContact O-N 2.85Å
142D98.2Very high97.3Very high63 Ų6363.8 Ų63.834%0.33735%0.346SS..Hα-helixtrans-64.8-36.7179.7-663.2000111L138 P139 E140 E145 N146L138-D142 HydrophobicContact CB-CB 4.23Å; L138-D142 HydrophobicContact CD2-CB 4.19Å; P139-D142 VanDerWaalsContact CD-OD2 3.25Å; P139-D142 WeakPolarHBondContact CD-OD2 3.36Å; P139-D142 HydrophobicContact CG-CB 4.02Å; P139-D142 WeakPolarHBondContact CG-OD2 3.42Å; P139-D142 PolarHBondContact O-N 3.41Å; P139-D142 VanDerWaalsContact O-N 3.17Å; E140-D142 PolarHBondContact O-N 3.46Å; D142-E145 PolarHBondContact O-N 2.96Å; D142-N146 VanDerWaalsContact O-CB 3.26Å; D142-N146 WeakPolarHBondContact O-CB 3.23Å; D142-N146 PolarHBondContact O-N 2.95Å; D142-N146 PolarHBondContact O-ND2 2.79Å
143I98.4Very high97.3Very high0 Ų061.4 Ų61.40%034%0.336CS..Hα-helixtrans-66-42.9175.6-64.7170.2000110.6V96 S98 A129 L138 P139 E140 A141 E145 L147 I162V96-I143 HydrophobicContact CG1-CG2 4.41Å; S98-I143 WeakPolarHBondContact OG-CD1 3.46Å; A129-I143 HydrophobicContact CB-CD1 3.35Å; L138-I143 HydrophobicContact CB-CD1 4.28Å; L138-I143 HydrophobicContact CB-CG1 3.79Å; L138-I143 HydrophobicContact CD1-CG1 4.46Å; P139-I143 PolarHBondContact O-N 3.06Å; P139-I143 VanDerWaalsContact O-N 3.14Å; E140-I143 PolarHBondContact O-N 3.43Å; A141-I143 VanDerWaalsContact C-N 3.29Å; A141-I143 PolarHBondContact O-N 3.45Å; I143-E145 VanDerWaalsContact C-N 3.31Å; I143-E145 PolarHBondContact O-N 2.59Å; I143-L147 HydrophobicContact CG2-CD1 3.59Å; I143-L147 HydrophobicContact CG2-CG 4.1Å; I143-L147 VanDerWaalsContact O-CB 3.27Å; I143-L147 WeakPolarHBondContact O-CB 3.34Å; I143-L147 VanDerWaalsContact O-CG 3.24Å; I143-L147 WeakPolarHBondContact O-CG 3.3Å; I143-L147 PolarHBondContact O-N 2.83Å; I143-I162 HydrophobicContact CB-CD1 4.13Å; I143-I162 HydrophobicContact CG2-CD1 3.75Å
144I98.4Very high97.5Very high41 Ų4164.3 Ų64.321%0.2135%0.351CS..Hα-helixtrans-56.9-47.6175.7-69.3165.2000110.3E140 A141 S148 L149 E150 I162E140-I144 HydrophobicContact CG-CD1 4.06Å; E140-I144 VanDerWaalsContact O-CG1 3.32Å; E140-I144 WeakPolarHBondContact O-CG1 3.49Å; E140-I144 PolarHBondContact O-N 3.18Å; A141-I144 WeakPolarHBondContact O-CB 3.37Å; A141-I144 PolarHBondContact O-N 2.74Å; A141-I144 VanDerWaalsContact O-N 3.17Å; I144-S148 WeakPolarHBondContact O-CA 3.16Å; I144-S148 PolarHBondContact O-N 2.81Å; I144-S148 VanDerWaalsContact O-N 3.09Å; I144-L149 HydrophobicContact CG1-CD2 4.15Å; I144-L149 HydrophobicContact CG2-CB 4.3Å; I144-L149 PolarHBondContact O-N 3.43Å; I144-E150 HydrophobicContact CG2-CG 4.23Å; I144-I162 HydrophobicContact CD1-CG2 4.09Å; I144-I162 HydrophobicContact CG1-CD1 4.29Å; I144-I162 HydrophobicContact CG1-CG2 4.28Å
145E98.3Very high97.6Very high141 Ų14165.8 Ų65.866%0.65936%0.356SS*.Hα-helixtrans-67-52.1-179.4-70.6-176-176.100112.3A141 D142 I143 L147 S148A141-E145 WeakPolarHBondContact O-CG 3.4Å; A141-E145 PolarHBondContact O-N 2.85Å; D142-E145 PolarHBondContact O-N 2.96Å; I143-E145 VanDerWaalsContact C-N 3.31Å; I143-E145 PolarHBondContact O-N 2.59Å; E145-L147 VanDerWaalsContact C-N 3.31Å; E145-L147 PolarHBondContact O-N 3Å; E145-S148 WeakPolarHBondContact O-CA 2.88Å; E145-S148 PolarHBondContact O-N 3.2Å
146N98.1Very high97.8Very high65 Ų6557.2 Ų57.235%0.34832%0.316SS..Hα-helixtrans-62.1-38.4-177.2-81.4-80.1000112.2I104 R108 D142 S148I104-N146 HydrophobicContact CG1-CB 3.71Å; I104-N146 HydrophobicContact CG2-CB 4.47Å; R108-N146 WeakPolarHBondContact CD-O 3.49Å; D142-N146 VanDerWaalsContact O-CB 3.26Å; D142-N146 WeakPolarHBondContact O-CB 3.23Å; D142-N146 PolarHBondContact O-N 2.95Å; D142-N146 PolarHBondContact O-ND2 2.79Å; N146-S148 VanDerWaalsContact C-N 3.26Å
147L98.2Very high98Very high0 Ų062.8 Ų62.80%032%0.324CS..THydrogen-bonded Turntrans-79.8-9.2175-59.8-177.1000112.8V96 I104 T107 R108 M111 I143 E145 L149 L152V96-L147 HydrophobicContact CG2-CD1 4.01Å; I104-L147 HydrophobicContact CD1-CD2 3.95Å; I104-L147 HydrophobicContact CD1-CG 4.49Å; I104-L147 HydrophobicContact CG1-CD2 4.22Å; T107-L147 HydrophobicContact CG2-CD2 3.95Å; R108-L147 HydrophobicContact CB-CD2 3.91Å; R108-L147 WeakPolarHBondContact CG-O 3.4Å; M111-L147 HydrophobicContact SD-CD1 4.14Å; I143-L147 HydrophobicContact CG2-CD1 3.59Å; I143-L147 HydrophobicContact CG2-CG 4.1Å; I143-L147 VanDerWaalsContact O-CB 3.27Å; I143-L147 WeakPolarHBondContact O-CB 3.34Å; I143-L147 VanDerWaalsContact O-CG 3.24Å; I143-L147 WeakPolarHBondContact O-CG 3.3Å; I143-L147 PolarHBondContact O-N 2.83Å; E145-L147 VanDerWaalsContact C-N 3.31Å; E145-L147 PolarHBondContact O-N 3Å; L147-L149 HydrophobicContact CB-CB 4.4Å; L147-L149 PolarHBondContact O-N 2.92Å; L147-L152 WeakPolarHBondContact O-CD1 3.38Å
148S97.9Very high98Very high48 Ų4862.1 Ų62.134%0.33632%0.318SS..THydrogen-bonded Turntrans50.144.2-169.1-53.60000111I144 E145 N146 E150 K151 L152I144-S148 WeakPolarHBondContact O-CA 3.16Å; I144-S148 PolarHBondContact O-N 2.81Å; I144-S148 VanDerWaalsContact O-N 3.09Å; E145-S148 WeakPolarHBondContact O-CA 2.88Å; E145-S148 PolarHBondContact O-N 3.2Å; N146-S148 VanDerWaalsContact C-N 3.26Å; S148-E150 PolarHBondContact O-N 3.44Å; S148-K151 WeakPolarHBondContact O-CB 3.27Å; S148-K151 PolarHBondContact O-N 2.94Å; S148-K151 VanDerWaalsContact O-N 3.15Å; S148-L152 PolarHBondContact O-N 3.1Å; S148-L152 VanDerWaalsContact O-N 3.11Å
149L97.9Very high98Very high8 Ų865.3 Ų65.34%0.04234%0.335CS..Hα-helixtrans-60.2-46.4-162.5-178.560.1000111.9M111 V127 I144 L147 K151 L152 V153 I162M111-L149 HydrophobicContact CE-CD1 3.21Å; M111-L149 HydrophobicContact SD-CD1 3.9Å; V127-L149 HydrophobicContact CG2-CD1 4.22Å; V127-L149 HydrophobicContact CG2-CD2 4.28Å; I144-L149 HydrophobicContact CG1-CD2 4.15Å; I144-L149 HydrophobicContact CG2-CB 4.3Å; I144-L149 PolarHBondContact O-N 3.43Å; L147-L149 HydrophobicContact CB-CB 4.4Å; L147-L149 PolarHBondContact O-N 2.92Å; L149-K151 VanDerWaalsContact C-N 3.3Å; L149-K151 PolarHBondContact O-N 3.2Å; L149-L152 PolarHBondContact O-N 2.9Å; L149-V153 HydrophobicContact CD1-CG1 3.7Å; L149-V153 HydrophobicContact CG-CG1 4.24Å; L149-V153 WeakPolarHBondContact O-CG1 3.16Å; L149-V153 WeakPolarHBondContact O-CG2 3.43Å; L149-V153 PolarHBondContact O-N 3.07Å; L149-I162 HydrophobicContact CD2-CB 4.47Å; L149-I162 HydrophobicContact CD2-CD1 4.48Å
150E97.4Very high98Very high137 Ų13763.9 Ų63.964%0.6433%0.326SS*.Hα-helixtrans-55.5-45.2178.5-65.1-173174.600112.1I144 S148 V153 N154I144-E150 HydrophobicContact CG2-CG 4.23Å; S148-E150 PolarHBondContact O-N 3.44Å; E150-V153 WeakPolarHBondContact O-CG2 3.14Å; E150-N154 VanDerWaalsContact O-CB 3.24Å; E150-N154 WeakPolarHBondContact O-CB 3.47Å; E150-N154 PolarHBondContact O-N 3.41Å; E150-N154 PolarHBondContact O-ND2 3.11Å
151K98.1Very high98Very high128 Ų12862 Ų6256%0.55732%0.317SS*.Hα-helixtrans-61.9-51.4177.9-180-178.8173.9-177.50110.7S148 L149 V153 N154 E155S148-K151 WeakPolarHBondContact O-CB 3.27Å; S148-K151 PolarHBondContact O-N 2.94Å; S148-K151 VanDerWaalsContact O-N 3.15Å; L149-K151 VanDerWaalsContact C-N 3.3Å; L149-K151 PolarHBondContact O-N 3.2Å; K151-V153 PolarHBondContact O-N 3.39Å; K151-N154 PolarHBondContact O-N 2.95Å; K151-E155 WeakPolarHBondContact CE-OE1 3.21Å; K151-E155 HydrophobicContact CG-CG 4.42Å; K151-E155 WeakPolarHBondContact CG-OE1 3.36Å; K151-E155 IonicContact NZ-OE1 2.67Å; K151-E155 WeakPolarHBondContact O-CB 3.46Å; K151-E155 WeakPolarHBondContact O-CG 3.33Å; K151-E155 PolarHBondContact O-N 3.2Å
152L97.6Very high98.1Very high14 Ų1460 Ų607%0.07330%0.299CS..Hα-helixtrans-60.7-42.9-177.4-71.8179.8000112.4R108 A112 L115 L147 S148 L149 N156R108-L152 HydrophobicContact CG-CD1 4.31Å; A112-L152 HydrophobicContact CB-CD1 4.32Å; A112-L152 HydrophobicContact CB-CD2 3.75Å; L115-L152 HydrophobicContact CD1-CB 4.08Å; L147-L152 WeakPolarHBondContact O-CD1 3.38Å; S148-L152 PolarHBondContact O-N 3.1Å; S148-L152 VanDerWaalsContact O-N 3.11Å; L149-L152 PolarHBondContact O-N 2.9Å; L152-N156 PolarHBondContact O-N 3.38Å; L152-N156 PolarHBondContact O-ND2 3.01Å
153V97.7Very high98.1Very high12 Ų1257.2 Ų57.27%0.07328%0.283CS..Hα-helixtrans-74.1-35.6-176.8-58.50000111.4L115 L149 E150 K151 N156 K157 C158 C160L115-V153 HydrophobicContact CD1-CG1 4.06Å; L149-V153 HydrophobicContact CD1-CG1 3.7Å; L149-V153 HydrophobicContact CG-CG1 4.24Å; L149-V153 WeakPolarHBondContact O-CG1 3.16Å; L149-V153 WeakPolarHBondContact O-CG2 3.43Å; L149-V153 PolarHBondContact O-N 3.07Å; E150-V153 WeakPolarHBondContact O-CG2 3.14Å; K151-V153 PolarHBondContact O-N 3.39Å; V153-N156 CarbonylContact O-C 3.58Å; V153-N156 PolarHBondContact O-N 2.92Å; V153-K157 CarbonylContact O-C 3.51Å; V153-K157 WeakPolarHBondContact O-CA 3.41Å; V153-K157 PolarHBondContact O-N 3.18Å; V153-C158 WeakPolarHBondContact CB-O 3.33Å; V153-C158 PolarHBondContact O-N 2.82Å; V153-C160 HydrophobicContact CB-CB 3.98Å; V153-C160 HydrophobicContact CG1-CB 3.57Å; V153-C160 HydrophobicContact CG2-CB 4.13Å
154N97.9Very high98.1Very high118 Ų11859 Ų5963%0.63130%0.295SS*.Hα-helixtrans-67.6-45.1176.3-73.3-26.5000112.1E150 K151 N156 K157E150-N154 VanDerWaalsContact O-CB 3.24Å; E150-N154 WeakPolarHBondContact O-CB 3.47Å; E150-N154 PolarHBondContact O-N 3.41Å; E150-N154 PolarHBondContact O-ND2 3.11Å; K151-N154 PolarHBondContact O-N 2.95Å; N154-N156 VanDerWaalsContact C-N 3.26Å; N154-N156 PolarHBondContact O-N 3.33Å; N154-K157 PolarHBondContact O-N 2.77Å
155E98.3Very high98Very high108 Ų10857.2 Ų57.251%0.50529%0.286SS..Hα-helixtrans-59.2-38.5177.2-75.3174.5172.900112K151K151-E155 WeakPolarHBondContact CE-OE1 3.21Å; K151-E155 HydrophobicContact CG-CG 4.42Å; K151-E155 WeakPolarHBondContact CG-OE1 3.36Å; K151-E155 IonicContact NZ-OE1 2.67Å; K151-E155 WeakPolarHBondContact O-CB 3.46Å; K151-E155 WeakPolarHBondContact O-CG 3.33Å; K151-E155 PolarHBondContact O-N 3.2Å
156N98.1Very high97.8Very high20 Ų2050.6 Ų50.611%0.10726%0.255CS..THydrogen-bonded Turntrans-95.65-178.6-61.4-63.9000113.7L115 Q116 A121 G122 L152 V153 N154 C158L115-N156 HydrophobicContact CB-CB 4.04Å; L115-N156 WeakPolarHBondContact O-CB 3.5Å; L115-N156 PolarHBondContact O-OD1 3.42Å; Q116-N156 VanDerWaalsContact CA-OD1 3.26Å; Q116-N156 WeakPolarHBondContact CA-OD1 3.46Å; Q116-N156 WeakPolarHBondContact CG-OD1 3.29Å; A121-N156 CarbonylContact C-O 3.59Å; G122-N156 PolarHBondContact N-O 2.92Å; L152-N156 PolarHBondContact O-N 3.38Å; L152-N156 PolarHBondContact O-ND2 3.01Å; V153-N156 CarbonylContact O-C 3.58Å; V153-N156 PolarHBondContact O-N 2.92Å; N154-N156 VanDerWaalsContact C-N 3.26Å; N154-N156 PolarHBondContact O-N 3.33Å; N156-C158 PolarHBondContact O-N 3.13Å; N156-C158 PolarHBondContact O-SG 3.23Å; N156-C158 VanDerWaalsContact O-SG 3.42Å
157K97.9Very high97.6Very high175 Ų17547.8 Ų47.876%0.76124%0.241SC*.THydrogen-bonded Turntrans55.729179-53.7175.4-177175.80113.7G122 V153 N154G122-K157 WeakPolarHBondContact CA-O 3.44Å; V153-K157 CarbonylContact O-C 3.51Å; V153-K157 WeakPolarHBondContact O-CA 3.41Å; V153-K157 PolarHBondContact O-N 3.18Å; N154-K157 PolarHBondContact O-N 2.77Å
158C97.8Very high97.2Very high6 Ų650.6 Ų50.64%0.04126%0.255CS..  trans-88.5125.4-179.3-63.30000109.9G122 K123 V125 V153 N156 C160G122-C158 PolarHBondContact N-SG 2.9Å; K123-C158 WeakPolarHBondContact O-CB 3.38Å; K123-C158 PolarHBondContact O-SG 3.32Å; V125-C158 HydrophobicContact CG2-CB 3.83Å; V153-C158 WeakPolarHBondContact CB-O 3.33Å; V153-C158 PolarHBondContact O-N 2.82Å; N156-C158 PolarHBondContact O-N 3.13Å; N156-C158 PolarHBondContact O-SG 3.23Å; N156-C158 VanDerWaalsContact O-SG 3.42Å; C158-C160 PolarHBondContact O-N 3.09Å
159L97.9Very high96.3Very high90 Ų9053 Ų5347%0.47126%0.264SS..  trans-67127.8166.4-175.569.2000108.7P124 V125 W185 N189P124-L159 CarbonylContact C-O 3.56Å; P124-L159 VanDerWaalsContact CA-O 3.32Å; P124-L159 WeakPolarHBondContact CA-O 3.16Å; P124-L159 HydrophobicContact CB-CB 4.4Å; V125-L159 PolarHBondContact N-O 3.24Å; L159-W185 HydrophobicContact CD1-CZ2 4.44Å; L159-W185 HydrophobicContact CD2-CH2 4.2Å; L159-W185 HydrophobicContact CD2-CZ2 3.8Å; L159-W185 HydrophobicContact CG-CH2 3.92Å; L159-W185 HydrophobicContact CG-CZ2 3.67Å; L159-N189 HydrophobicContact CD2-CB 3.72Å; L159-N189 WeakPolarHBondContact CD2-OD1 3.27Å
160C98.4Very high94.5Very high33 Ų3353.9 Ų53.922%0.22328%0.275CS..EExtended strand (participates in β ladder)trans-126.1141.9-173.4-171.90000112.6V125 V153 C158V125-C160 VanDerWaalsContact O-CA 3.3Å; V125-C160 WeakPolarHBondContact O-CA 3.29Å; V153-C160 HydrophobicContact CB-CB 3.98Å; V153-C160 HydrophobicContact CG1-CB 3.57Å; V153-C160 HydrophobicContact CG2-CB 4.13Å; C158-C160 PolarHBondContact O-N 3.09Å
161Q98.6Very high92.3Very high39 Ų3953.1 Ų53.118%0.18228%0.284CS..EExtended strand (participates in β ladder)trans-132.8140.3162.8-174.118027.400109V125 L126 V127 E163 W185V125-Q161 PolarHBondContact O-N 2.9Å; V125-Q161 VanDerWaalsContact O-N 3.13Å; L126-Q161 CarbonylContact C-O 3.48Å; L126-Q161 WeakPolarHBondContact CA-O 3.45Å; V127-Q161 PolarHBondContact N-O 2.95Å; Q161-E163 VanDerWaalsContact CD-OE1 3.29Å; Q161-E163 PolarHBondContact NE2-OE1 2.83Å; Q161-W185 HydrophobicContact CB-CD2 3.56Å; Q161-W185 HydrophobicContact CB-CE3 3.55Å; Q161-W185 HydrophobicContact CB-CG 4.33Å; Q161-W185 HydrophobicContact CB-CH2 3.64Å; Q161-W185 HydrophobicContact CB-CZ2 3.56Å; Q161-W185 HydrophobicContact CB-CZ3 3.61Å; Q161-W185 HydrophobicContact CG-CD2 4.3Å; Q161-W185 VanDerWaalsContact OE1-CD1 3.27Å
162I98.6Very high90.5Very high15 Ų1549.3 Ų49.38%0.07728%0.281CS..EExtended strand (participates in β ladder)trans-106.8141.6170-176166.1000109.4V127 A129 E140 I143 I144 L149V127-I162 HydrophobicContact CB-CB 4.06Å; V127-I162 HydrophobicContact CB-CD1 4.47Å; V127-I162 HydrophobicContact CB-CG1 4.03Å; V127-I162 HydrophobicContact CG1-CD1 4.03Å; V127-I162 HydrophobicContact CG1-CG1 3.99Å; V127-I162 CarbonylContact O-C 3.57Å; V127-I162 VanDerWaalsContact O-CA 3.29Å; V127-I162 WeakPolarHBondContact O-CA 3.3Å; A129-I162 HydrophobicContact CB-CD1 4.08Å; A129-I162 HydrophobicContact CB-CG1 4.07Å; E140-I162 HydrophobicContact CG-CB 4.5Å; E140-I162 HydrophobicContact CG-CD1 4.09Å; E140-I162 HydrophobicContact CG-CG1 4.16Å; E140-I162 HydrophobicContact CG-CG2 3.59Å; E140-I162 VanDerWaalsContact OE1-CG2 3.27Å; E140-I162 WeakPolarHBondContact OE1-CG2 3.33Å; I143-I162 HydrophobicContact CB-CD1 4.13Å; I143-I162 HydrophobicContact CG2-CD1 3.75Å; I144-I162 HydrophobicContact CD1-CG2 4.09Å; I144-I162 HydrophobicContact CG1-CD1 4.29Å; I144-I162 HydrophobicContact CG1-CG2 4.28Å; L149-I162 HydrophobicContact CD2-CB 4.47Å; L149-I162 HydrophobicContact CD2-CD1 4.48Å
163E98.3Very high88.6Confident4 Ų458.1 Ų58.12%0.01932%0.319CS..EExtended strand (participates in β ladder)trans-131.2118.1173.2-68.4-71.817600109.3L126 V127 L128 A129 Q161 C165 K181L126-E163 HydrophobicContact CD1-CG 4.13Å; V127-E163 PolarHBondContact O-N 3.03Å; L128-E163 HydrophobicContact CD2-CB 4.28Å; A129-E163 PolarHBondContact N-O 3.48Å; Q161-E163 VanDerWaalsContact CD-OE1 3.29Å; Q161-E163 PolarHBondContact NE2-OE1 2.83Å; E163-C165 PolarHBondContact O-N 3.22Å; E163-K181 VanDerWaalsContact OE1-CD 3.3Å; E163-K181 WeakPolarHBondContact OE1-CD 3.06Å; E163-K181 WeakPolarHBondContact OE1-CE 3.36Å; E163-K181 WeakPolarHBondContact OE1-CG 3.5Å; E163-K181 IonicContact OE1-NZ 3.87Å; E163-K181 PolarHBondContact OE1-NZ 2.87Å; E163-K181 IonicContact OE2-NZ 2.96Å; E163-K181 PolarHBondContact OE2-NZ 3.18Å
164P97.9Very high87.4Confident38 Ų3865.1 Ų65.125%0.24735%0.348CS..EExtended strand (participates in β ladder)trans-69.2122.8169.428-31.6000109.2A129 Q132 E140 S178A129-P164 WeakPolarHBondContact O-CA 3.41Å; Q132-P164 HydrophobicContact CG-CB 3.92Å; E140-P164 WeakPolarHBondContact OE2-CD 3.27Å; P164-S178 WeakPolarHBondContact O-CB 3.47Å; P164-S178 PolarHBondContact O-OG 3.34Å
165C96.9Very high86.8Confident3 Ų360.4 Ų60.42%0.0232%0.324CS..  trans-146169.5-173.370.10000113.3A129 N130 K131 Q132 E163 D176 I179A129-C165 PolarHBondContact O-N 3.27Å; N130-C165 CarbonylContact C-O 3.52Å; N130-C165 VanDerWaalsContact CA-O 3.29Å; N130-C165 WeakPolarHBondContact CA-O 3.3Å; K131-C165 PolarHBondContact N-O 3.2Å; Q132-C165 WeakPolarHBondContact CG-O 3.27Å; Q132-C165 PolarHBondContact N-O 2.98Å; Q132-C165 VanDerWaalsContact N-O 3.13Å; E163-C165 PolarHBondContact O-N 3.22Å; C165-D176 WeakPolarHBondContact CA-OD2 3.49Å; C165-I179 HydrophobicContact CB-CD1 4.39Å; C165-I179 HydrophobicContact CB-CG1 3.75Å
166S95.3Very high86.4Confident2 Ų256.7 Ų56.71%0.01431%0.307CS..  trans-131115.3162.8174.10000110N130 D133 I168 L169 D176N130-S166 WeakPolarHBondContact OD1-CA 3.28Å; D133-S166 VanDerWaalsContact CG-OG 3.24Å; D133-S166 WeakPolarHBondContact OD1-CB 3.49Å; D133-S166 PolarHBondContact OD1-OG 3.42Å; S166-I168 PolarHBondContact O-N 3.01Å; S166-I168 WeakPolarHBondContact OG-CG1 3.33Å; S166-I168 PolarHBondContact OG-N 2.96Å; S166-L169 PolarHBondContact O-N 2.99Å; S166-L169 WeakPolarHBondContact OG-CG 3.28Å; S166-L169 PolarHBondContact OG-N 2.91Å; S166-L169 VanDerWaalsContact OG-N 3.17Å; S166-D176 PolarHBondContact N-OD2 3.48Å
167A93.6Very high86.1Confident5 Ų564.4 Ų64.44%0.04134%0.34CS..SBendtrans-63-21.617700000113A36 A37 P46 N130 I179A36-A167 HydrophobicContact CB-CB 4.02Å; A37-A167 HydrophobicContact CB-CB 4.02Å; P46-A167 VanDerWaalsContact CB-O 3.25Å; P46-A167 WeakPolarHBondContact CB-O 3.35Å; P46-A167 WeakPolarHBondContact CG-O 3.39Å; N130-A167 WeakPolarHBondContact OD1-CB 3.43Å; N130-A167 PolarHBondContact OD1-N 2.97Å; A167-I179 HydrophobicContact CB-CD1 4.38Å
168I89.4Confident86Confident59 Ų5957.5 Ų57.530%0.30331%0.313SS..SBendtrans-95.8-21.5179.369.2163.7000113D133 S166D133-I168 VanDerWaalsContact OD2-CD1 3.26Å; D133-I168 WeakPolarHBondContact OD2-CD1 3.4Å; S166-I168 PolarHBondContact O-N 3.01Å; S166-I168 WeakPolarHBondContact OG-CG1 3.33Å; S166-I168 PolarHBondContact OG-N 2.96Å
169L78Confident85.9Confident98 Ų9857.3 Ų57.351%0.51331%0.312SS..  trans-75.6129.2172.8-69.9179.3000109.9D133 S166D133-L169 HydrophobicContact CB-CD1 3.74Å; D133-L169 HydrophobicContact CB-CD2 4.36Å; D133-L169 HydrophobicContact CB-CG 3.9Å; S166-L169 PolarHBondContact O-N 2.99Å; S166-L169 WeakPolarHBondContact OG-CG 3.28Å; S166-L169 PolarHBondContact OG-N 2.91Å; S166-L169 VanDerWaalsContact OG-N 3.17Å
170G61.8Low85.7Confident28 Ų2857.4 Ų57.429%0.28931%0.309SS..SBendtrans114.350-168.800000112.7G172 K174G170-G172 PolarHBondContact O-N 2.75Å; G170-K174 CarbonylContact C-O 3.6Å; G170-K174 WeakPolarHBondContact CA-O 3.37Å
171C50.6Low85.6Confident121 Ų12161.5 Ų61.582%0.81832%0.323SS*.  trans-58.3132.8179.744.10000111.8
172G60.1Low85.5Confident48 Ų4859.6 Ų59.650%0.49531%0.314SS..SBendtrans79.7-137.3-177.200000113.3G170 K174G170-G172 PolarHBondContact O-N 2.75Å; G172-K174 PolarHBondContact O-N 2.78Å
173K57.6Low85.4Confident198 Ų19859.1 Ų59.186%0.86131%0.312SS*.SBendtrans-76.812.1-169.7-59.7-175.4179.4-177.20115.3
174K73.5Confident85.4Confident159 Ų15962.1 Ų62.169%0.69133%0.33SS*.  trans-12684.7-168.6-68.2-175.2-176.7175.70111.8G170 G172G170-K174 CarbonylContact C-O 3.6Å; G170-K174 WeakPolarHBondContact CA-O 3.37Å; G172-K174 PolarHBondContact O-N 2.78Å
175V84.8Confident85.4Confident20 Ų2063.1 Ų63.112%0.12133%0.329CS..  trans-54.6146.5167.260.70000112.2G40 I41 I179 K180G40-V175 WeakPolarHBondContact O-CB 3.45Å; I41-V175 HydrophobicContact CG1-CG2 4.36Å; V175-I179 HydrophobicContact CG2-CB 4.05Å; V175-I179 HydrophobicContact CG2-CD1 4.31Å; V175-I179 HydrophobicContact CG2-CG2 4.05Å; V175-K180 HydrophobicContact CG1-CD 3.5Å; V175-K180 VanDerWaalsContact CG1-CD 3.5Å; V175-K180 HydrophobicContact CG1-CG 3.54Å
176D90.3Very high85.5Confident30 Ų3063 Ų6316%0.1633%0.328CS..  trans-44.8135.2172.1-168.5-22.8000111.6C165 S166 S178 I179 K180C165-D176 WeakPolarHBondContact CA-OD2 3.49Å; S166-D176 PolarHBondContact N-OD2 3.48Å; D176-S178 VanDerWaalsContact C-N 3.27Å; D176-S178 PolarHBondContact O-N 2.84Å; D176-S178 PolarHBondContact OD1-N 2.66Å; D176-I179 HydrophobicContact CB-CB 4.41Å; D176-I179 HydrophobicContact CB-CD1 4.01Å; D176-I179 HydrophobicContact CB-CG1 4.05Å; D176-I179 PolarHBondContact O-N 3.15Å; D176-K180 PolarHBondContact O-N 3.35Å
177K92.1Very high85.6Confident181 Ų18163 Ų6379%0.78733%0.328SS*.Hα-helixtrans-63.2-35.6178-65.3178.8-178.2174.30111.2K180 K181K177-K180 PolarHBondContact O-N 2.93Å; K177-K181 VanDerWaalsContact O-CB 3.27Å; K177-K181 WeakPolarHBondContact O-CB 3.24Å; K177-K181 PolarHBondContact O-N 3.31Å
178S94.9Very high85.7Confident30 Ų3065.4 Ų65.421%0.2134%0.344CS..Hα-helixtrans-64.5-43.5178.8-640000111.4P164 D176 K180 K181 G182P164-S178 WeakPolarHBondContact O-CB 3.47Å; P164-S178 PolarHBondContact O-OG 3.34Å; D176-S178 VanDerWaalsContact C-N 3.27Å; D176-S178 PolarHBondContact O-N 2.84Å; D176-S178 PolarHBondContact OD1-N 2.66Å; S178-K180 PolarHBondContact O-N 3.21Å; S178-K181 PolarHBondContact O-N 3.07Å; S178-G182 PolarHBondContact O-N 3.42Å
179I95.3Very high86.1Confident3 Ų363.3 Ų63.32%0.01533%0.334CS..Hα-helixtrans-62-46.2176.1-62.8176.3000110.5A37 I41 L128 C165 A167 V175 D176 K181 G182 L183A37-I179 HydrophobicContact CB-CD1 4.42Å; I41-I179 HydrophobicContact CD1-CG2 3.87Å; I41-I179 HydrophobicContact CG1-CG2 3.73Å; L128-I179 HydrophobicContact CD1-CG1 4.49Å; L128-I179 HydrophobicContact CD2-CG1 4.5Å; C165-I179 HydrophobicContact CB-CD1 4.39Å; C165-I179 HydrophobicContact CB-CG1 3.75Å; A167-I179 HydrophobicContact CB-CD1 4.38Å; V175-I179 HydrophobicContact CG2-CB 4.05Å; V175-I179 HydrophobicContact CG2-CD1 4.31Å; V175-I179 HydrophobicContact CG2-CG2 4.05Å; D176-I179 HydrophobicContact CB-CB 4.41Å; D176-I179 HydrophobicContact CB-CD1 4.01Å; D176-I179 HydrophobicContact CB-CG1 4.05Å; D176-I179 PolarHBondContact O-N 3.15Å; I179-K181 PolarHBondContact O-N 2.89Å; I179-G182 PolarHBondContact O-N 3.29Å; I179-L183 WeakPolarHBondContact O-CB 3.36Å; I179-L183 PolarHBondContact O-N 3.47Å
180K93.5Very high87Confident91 Ų9158.6 Ų58.640%0.39631%0.309SS..Hα-helixtrans-59.9-43.9175.5-85.5170.3165.4144.60112.8V175 D176 K177 S178 T184V175-K180 HydrophobicContact CG1-CD 3.5Å; V175-K180 VanDerWaalsContact CG1-CD 3.5Å; V175-K180 HydrophobicContact CG1-CG 3.54Å; D176-K180 PolarHBondContact O-N 3.35Å; K177-K180 PolarHBondContact O-N 2.93Å; S178-K180 PolarHBondContact O-N 3.21Å; K180-T184 WeakPolarHBondContact O-CB 3.36Å; K180-T184 PolarHBondContact O-N 3.02Å; K180-T184 PolarHBondContact O-OG1 3.37Å
181K95.9Very high88.6Confident119 Ų11958.1 Ų58.152%0.51730%0.303SS..Hα-helixtrans-61.9-51.3179.3177.8-175.9163-130.50110.4E163 K177 S178 I179 L183 T184 W185E163-K181 VanDerWaalsContact OE1-CD 3.3Å; E163-K181 WeakPolarHBondContact OE1-CD 3.06Å; E163-K181 WeakPolarHBondContact OE1-CE 3.36Å; E163-K181 WeakPolarHBondContact OE1-CG 3.5Å; E163-K181 IonicContact OE1-NZ 3.87Å; E163-K181 PolarHBondContact OE1-NZ 2.87Å; E163-K181 IonicContact OE2-NZ 2.96Å; E163-K181 PolarHBondContact OE2-NZ 3.18Å; K177-K181 VanDerWaalsContact O-CB 3.27Å; K177-K181 WeakPolarHBondContact O-CB 3.24Å; K177-K181 PolarHBondContact O-N 3.31Å; S178-K181 PolarHBondContact O-N 3.07Å; I179-K181 PolarHBondContact O-N 2.89Å; K181-L183 PolarHBondContact O-N 2.88Å; K181-T184 WeakPolarHBondContact O-CB 3.22Å; K181-T184 PolarHBondContact O-N 3.35Å; K181-W185 PolarHBondContact O-N 2.92Å
182G97.9Very high90.7Very high0 Ų059.6 Ų59.60%030%0.295CS..Hα-helixtrans-60.1-45.5177.300000113.1S178 I179 T184 W185 L186S178-G182 PolarHBondContact O-N 3.42Å; I179-G182 PolarHBondContact O-N 3.29Å; G182-T184 VanDerWaalsContact C-N 3.32Å; G182-T184 PolarHBondContact O-N 2.84Å; G182-W185 PolarHBondContact O-N 3.34Å; G182-L186 WeakPolarHBondContact O-CB 3.49Å; G182-L186 PolarHBondContact O-N 3.41Å
183L96.9Very high92.4Very high5 Ų562.2 Ų62.23%0.02630%0.298CS..Hα-helixtrans-62.4-40.8177.2-176.262.6000111.6L24 I41 Q62 I179 K181 L186 L187L24-L183 HydrophobicContact CD1-CD1 3.71Å; I41-L183 HydrophobicContact CD1-CD2 4.5Å; I41-L183 HydrophobicContact CG2-CD2 4.21Å; Q62-L183 HydrophobicContact CG-CD2 4.25Å; I179-L183 WeakPolarHBondContact O-CB 3.36Å; I179-L183 PolarHBondContact O-N 3.47Å; K181-L183 PolarHBondContact O-N 2.88Å; L183-L186 PolarHBondContact O-N 2.9Å; L183-L187 HydrophobicContact CD1-CD1 4.34Å; L183-L187 HydrophobicContact CD1-CG 4.33Å; L183-L187 HydrophobicContact CG-CD1 4.11Å; L183-L187 HydrophobicContact CG-CG 4.5Å; L183-L187 VanDerWaalsContact O-CG 3.3Å; L183-L187 WeakPolarHBondContact O-CG 3.43Å; L183-L187 PolarHBondContact O-N 3.49Å
184T96.7Very high94.2Very high67 Ų6754.4 Ų54.441%0.41126%0.263SS..Hα-helixtrans-63.2-42.2176.6-58.80000111.3K180 K181 G182 S188K180-T184 WeakPolarHBondContact O-CB 3.36Å; K180-T184 PolarHBondContact O-N 3.02Å; K180-T184 PolarHBondContact O-OG1 3.37Å; K181-T184 WeakPolarHBondContact O-CB 3.22Å; K181-T184 PolarHBondContact O-N 3.35Å; G182-T184 VanDerWaalsContact C-N 3.32Å; G182-T184 PolarHBondContact O-N 2.84Å; T184-S188 VanDerWaalsContact O-CB 3.24Å; T184-S188 WeakPolarHBondContact O-CB 3.46Å; T184-S188 PolarHBondContact O-N 3.23Å; T184-S188 PolarHBondContact O-OG 2.77Å
185W98.1Very high95.2Very high58 Ų5853.1 Ų53.122%0.2226%0.26CS..Hα-helixtrans-62.7-45.2174.6172.499.6000111.9V125 L159 Q161 K181 G182 S188 N189V125-W185 WeakPolarHBondContact O-CZ3 3.47Å; L159-W185 HydrophobicContact CD1-CZ2 4.44Å; L159-W185 HydrophobicContact CD2-CH2 4.2Å; L159-W185 HydrophobicContact CD2-CZ2 3.8Å; L159-W185 HydrophobicContact CG-CH2 3.92Å; L159-W185 HydrophobicContact CG-CZ2 3.67Å; Q161-W185 HydrophobicContact CB-CD2 3.56Å; Q161-W185 HydrophobicContact CB-CE3 3.55Å; Q161-W185 HydrophobicContact CB-CG 4.33Å; Q161-W185 HydrophobicContact CB-CH2 3.64Å; Q161-W185 HydrophobicContact CB-CZ2 3.56Å; Q161-W185 HydrophobicContact CB-CZ3 3.61Å; Q161-W185 HydrophobicContact CG-CD2 4.3Å; Q161-W185 VanDerWaalsContact OE1-CD1 3.27Å; K181-W185 PolarHBondContact O-N 2.92Å; G182-W185 PolarHBondContact O-N 3.34Å; W185-S188 PolarHBondContact O-N 2.69Å; W185-N189 VanDerWaalsContact CD2-ND2 3.28Å; W185-N189 PolarHBondContact NE1-ND2 2.77Å; W185-N189 VanDerWaalsContact NE1-ND2 3.18Å; W185-N189 PolarHBondContact O-N 2.94Å; W185-N189 PolarHBondContact O-ND2 3.09Å
186L98.5Very high95.7Very high0 Ų055.3 Ų55.30%028%0.28CS..Hα-helixtrans-60-52.1-179.517958.4000110.7L24 V93 P124 L126 G182 L183 S188 N189 I190L24-L186 HydrophobicContact CD1-CD2 3.94Å; L24-L186 HydrophobicContact CD2-CD2 3.9Å; L24-L186 HydrophobicContact CD2-CG 4.36Å; V93-L186 HydrophobicContact CG2-CD2 3.71Å; P124-L186 HydrophobicContact CB-CD1 3.74Å; P124-L186 HydrophobicContact CG-CD1 3.84Å; L126-L186 HydrophobicContact CB-CB 4.35Å; L126-L186 HydrophobicContact CB-CD2 3.97Å; G182-L186 WeakPolarHBondContact O-CB 3.49Å; G182-L186 PolarHBondContact O-N 3.41Å; L183-L186 PolarHBondContact O-N 2.9Å; L186-S188 VanDerWaalsContact C-N 3.29Å; L186-S188 PolarHBondContact O-N 3.48Å; L186-N189 PolarHBondContact O-N 2.85Å; L186-I190 HydrophobicContact CD1-CD1 4.11Å; L186-I190 HydrophobicContact CD1-CG1 4.46Å; L186-I190 HydrophobicContact CG-CD1 4.04Å; L186-I190 WeakPolarHBondContact O-CG1 3.42Å; L186-I190 PolarHBondContact O-N 3.05Å
187L97.7Very high96.1Very high3 Ų354.8 Ų54.82%0.01628%0.277CS..Hα-helixtrans-61.9-37.6177.8-66.1174000112.2V22 Q62 F65 V67 L183 I190 A191V22-L187 HydrophobicContact CB-CD2 4.2Å; V22-L187 HydrophobicContact CG1-CD2 3.83Å; V22-L187 HydrophobicContact CG2-CD2 4.4Å; Q62-L187 HydrophobicContact CB-CD1 3.72Å; Q62-L187 HydrophobicContact CG-CD1 3.46Å; Q62-L187 VanDerWaalsContact CG-CD1 3.46Å; F65-L187 HydrophobicContact CB-CD1 4.44Å; F65-L187 HydrophobicContact CB-CD2 4.46Å; F65-L187 HydrophobicContact CD2-CB 4Å; F65-L187 HydrophobicContact CD2-CD1 4.05Å; F65-L187 HydrophobicContact CD2-CG 4.46Å; F65-L187 HydrophobicContact CE2-CB 4Å; F65-L187 HydrophobicContact CG-CB 4.46Å; F65-L187 HydrophobicContact CG-CD1 4.41Å; F65-L187 HydrophobicContact CG-CD2 4.36Å; F65-L187 HydrophobicContact CZ-CB 4.45Å; V67-L187 HydrophobicContact CG2-CD1 3.97Å; V67-L187 HydrophobicContact CG2-CD2 3.8Å; L183-L187 HydrophobicContact CD1-CD1 4.34Å; L183-L187 HydrophobicContact CD1-CG 4.33Å; L183-L187 HydrophobicContact CG-CD1 4.11Å; L183-L187 HydrophobicContact CG-CG 4.5Å; L183-L187 VanDerWaalsContact O-CG 3.3Å; L183-L187 WeakPolarHBondContact O-CG 3.43Å; L183-L187 PolarHBondContact O-N 3.49Å; L187-I190 PolarHBondContact O-N 3.05Å; L187-A191 VanDerWaalsContact O-CB 3.26Å; L187-A191 WeakPolarHBondContact O-CB 3.27Å; L187-A191 PolarHBondContact O-N 3.23Å
188S96.6Very high96.3Very high55 Ų5546.7 Ų46.739%0.38524%0.244SC..Hα-helixtrans-65.7-37.9178-62.60000112.3T184 W185 L186 A191 K192T184-S188 VanDerWaalsContact O-CB 3.24Å; T184-S188 WeakPolarHBondContact O-CB 3.46Å; T184-S188 PolarHBondContact O-N 3.23Å; T184-S188 PolarHBondContact O-OG 2.77Å; W185-S188 PolarHBondContact O-N 2.69Å; L186-S188 VanDerWaalsContact C-N 3.29Å; L186-S188 PolarHBondContact O-N 3.48Å; S188-A191 WeakPolarHBondContact O-CB 3.49Å; S188-A191 PolarHBondContact O-N 2.78Å; S188-K192 WeakPolarHBondContact O-CG 3.34Å; S188-K192 PolarHBondContact O-N 2.94Å
189N97.4Very high96.4Very high15 Ų1552 Ų528%0.0827%0.265CS..Hα-helixtrans-75.3-39.1176.7-71.1-63.2000112.1L159 W185 L186 A191 K192L159-N189 HydrophobicContact CD2-CB 3.72Å; L159-N189 WeakPolarHBondContact CD2-OD1 3.27Å; W185-N189 VanDerWaalsContact CD2-ND2 3.28Å; W185-N189 PolarHBondContact NE1-ND2 2.77Å; W185-N189 VanDerWaalsContact NE1-ND2 3.18Å; W185-N189 PolarHBondContact O-N 2.94Å; W185-N189 PolarHBondContact O-ND2 3.09Å; L186-N189 PolarHBondContact O-N 2.85Å; N189-A191 PolarHBondContact O-N 2.84Å; N189-K192 PolarHBondContact O-N 3.47Å; N189-K192 VanDerWaalsContact O-N 3.13Å; N189-K192 PolarHBondContact OD1-NZ 3.24Å
190I97.3Very high96.5Very high0 Ų055.3 Ų55.30%028%0.277CS..Hα-helixtrans-56.3-38.6169.1-67.5169.5000110.2V22 L24 H90 P124 L186 L187 K192 D193 Y194V22-I190 HydrophobicContact CG1-CD1 3.79Å; V22-I190 HydrophobicContact CG1-CG2 4.25Å; V22-I190 HydrophobicContact CG2-CG2 4.09Å; L24-I190 HydrophobicContact CD2-CD1 3.64Å; H90-I190 HydrophobicContact CB-CD1 4.16Å; H90-I190 HydrophobicContact CB-CG2 4.15Å; P124-I190 HydrophobicContact CG-CD1 4.26Å; P124-I190 HydrophobicContact CG-CG1 3.46Å; P124-I190 VanDerWaalsContact CG-CG1 3.46Å; L186-I190 HydrophobicContact CD1-CD1 4.11Å; L186-I190 HydrophobicContact CD1-CG1 4.46Å; L186-I190 HydrophobicContact CG-CD1 4.04Å; L186-I190 WeakPolarHBondContact O-CG1 3.42Å; L186-I190 PolarHBondContact O-N 3.05Å; L187-I190 PolarHBondContact O-N 3.05Å; I190-K192 VanDerWaalsContact C-N 3.33Å; I190-K192 PolarHBondContact O-N 2.86Å; I190-D193 CarbonylContact O-C 3.51Å; I190-D193 PolarHBondContact O-N 2.84Å; I190-Y194 HydrophobicContact CG2-CD2 4.12Å; I190-Y194 WeakPolarHBondContact O-CA 3.32Å; I190-Y194 WeakPolarHBondContact O-CB 3.24Å; I190-Y194 PolarHBondContact O-N 2.86Å
191A95.7Very high96.8Very high18 Ų1851.5 Ų51.515%0.14926%0.262CS..Hα-helixtrans-68.9-26.6-179.900000114.5R20 F65 L187 S188 N189R20-A191 PolarHBondContact NH1-O 2.73Å; F65-A191 HydrophobicContact CE1-CB 3.82Å; F65-A191 HydrophobicContact CZ-CB 3.57Å; L187-A191 VanDerWaalsContact O-CB 3.26Å; L187-A191 WeakPolarHBondContact O-CB 3.27Å; L187-A191 PolarHBondContact O-N 3.23Å; S188-A191 WeakPolarHBondContact O-CB 3.49Å; S188-A191 PolarHBondContact O-N 2.78Å; N189-A191 PolarHBondContact O-N 2.84Å
192K94.9Very high96.8Very high151 Ų15152.7 Ų52.766%0.65727%0.269SS*.Hα-helixtrans-66.6-42.4177-70.4170.8-172.6167.90111S188 N189 I190S188-K192 WeakPolarHBondContact O-CG 3.34Å; S188-K192 PolarHBondContact O-N 2.94Å; N189-K192 PolarHBondContact O-N 3.47Å; N189-K192 VanDerWaalsContact O-N 3.13Å; N189-K192 PolarHBondContact OD1-NZ 3.24Å; I190-K192 VanDerWaalsContact C-N 3.33Å; I190-K192 PolarHBondContact O-N 2.86Å
193D94.1Very high96.9Very high104 Ų10458.8 Ų58.856%0.55630%0.296SS*.THydrogen-bonded Turntrans-112.528.9-176.1-57.9-40.1000112.4I190 E195 A196 I197I190-D193 CarbonylContact O-C 3.51Å; I190-D193 PolarHBondContact O-N 2.84Å; D193-E195 PolarHBondContact O-N 2.87Å; D193-A196 PolarHBondContact O-N 3.35Å; D193-I197 HydrophobicContact CB-CD1 4.17Å; D193-I197 HydrophobicContact CB-CG1 4.38Å; D193-I197 WeakPolarHBondContact O-CG1 3.26Å; D193-I197 PolarHBondContact O-N 3.37Å
194Y95.5Very high96.9Very high34 Ų3459.5 Ų59.513%0.13330%0.299CS..Hα-helixtrans-57.5-47.4-168.1-176.9-102.9000113R20 K21 V22 I190 A196 I197 A198R20-Y194 HydrophobicContact CB-CD2 4.35Å; R20-Y194 HydrophobicContact CB-CE1 4.25Å; R20-Y194 HydrophobicContact CB-CE2 3.85Å; R20-Y194 HydrophobicContact CG-CD1 4.08Å; R20-Y194 HydrophobicContact CG-CD2 4.41Å; R20-Y194 HydrophobicContact CG-CE1 3.84Å; R20-Y194 HydrophobicContact CG-CE2 4.21Å; R20-Y194 HydrophobicContact CG-CG 4.35Å; K21-Y194 PolarHBondContact N-OH 3.47Å; K21-Y194 WeakPolarHBondContact O-CE2 3.42Å; K21-Y194 PolarHBondContact O-OH 3.4Å; V22-Y194 HydrophobicContact CG2-CE2 4.03Å; I190-Y194 HydrophobicContact CG2-CD2 4.12Å; I190-Y194 WeakPolarHBondContact O-CA 3.32Å; I190-Y194 WeakPolarHBondContact O-CB 3.24Å; I190-Y194 PolarHBondContact O-N 2.86Å; Y194-A196 PolarHBondContact O-N 3.42Å; Y194-I197 PolarHBondContact O-N 2.71Å; Y194-A198 HydrophobicContact CE1-CB 4.28Å; Y194-A198 WeakPolarHBondContact O-CB 3.28Å; Y194-A198 PolarHBondContact O-N 2.85Å
195E95.1Very high97Very high132 Ų13256.9 Ų56.962%0.61728%0.284SS*.Hα-helixtrans-60.9-45.6-177.1-56.8-54.2145.200111.3D193 A198 E199D193-E195 PolarHBondContact O-N 2.87Å; E195-A198 PolarHBondContact O-N 3.06Å; E195-E199 WeakPolarHBondContact O-CB 3.49Å; E195-E199 PolarHBondContact O-N 2.94Å
196A96.3Very high96.9Very high65 Ų6556.9 Ų56.954%0.53730%0.296SS..Hα-helixtrans-67-41.6179.500000112.3D193 Y194 R200D193-A196 PolarHBondContact O-N 3.35Å; Y194-A196 PolarHBondContact O-N 3.42Å; A196-R200 WeakPolarHBondContact O-CB 3.38Å; A196-R200 PolarHBondContact O-N 2.85Å; A196-R200 VanDerWaalsContact O-N 3.14Å
197I97.3Very high96.9Very high20 Ų2061.5 Ų61.510%0.10332%0.318CS..Hα-helixtrans-66.6-42.9176.4-65.7172000110.2H90 D193 Y194 R200 V201H90-I197 HydrophobicContact CB-CG2 3.9Å; D193-I197 HydrophobicContact CB-CD1 4.17Å; D193-I197 HydrophobicContact CB-CG1 4.38Å; D193-I197 WeakPolarHBondContact O-CG1 3.26Å; D193-I197 PolarHBondContact O-N 3.37Å; Y194-I197 PolarHBondContact O-N 2.71Å; I197-R200 PolarHBondContact O-N 3.5Å; I197-V201 HydrophobicContact CG2-CG2 4.26Å; I197-V201 WeakPolarHBondContact O-CB 3.43Å; I197-V201 VanDerWaalsContact O-CG2 3.26Å; I197-V201 WeakPolarHBondContact O-CG2 3.13Å; I197-V201 PolarHBondContact O-N 3.09Å
198A97Very high96.8Very high11 Ų1162.1 Ų62.19%0.09132%0.32CS..Hα-helixtrans-66.7-43.2-178.500000111.9Y194 E195 R200 V201 Q202Y194-A198 HydrophobicContact CE1-CB 4.28Å; Y194-A198 WeakPolarHBondContact O-CB 3.28Å; Y194-A198 PolarHBondContact O-N 2.85Å; E195-A198 PolarHBondContact O-N 3.06Å; A198-R200 VanDerWaalsContact C-N 3.34Å; A198-R200 PolarHBondContact O-N 3.2Å; A198-V201 PolarHBondContact O-N 2.91Å; A198-Q202 WeakPolarHBondContact O-CG 3.39Å; A198-Q202 PolarHBondContact O-N 2.91Å
199E97.1Very high96.8Very high142 Ų14266.5 Ų66.566%0.66433%0.328SS*.Hα-helixtrans-59.6-46.2174-175.4-177.817900110.9E195 V201 Q202 K203E195-E199 WeakPolarHBondContact O-CB 3.49Å; E195-E199 PolarHBondContact O-N 2.94Å; E199-V201 PolarHBondContact O-N 3.34Å; E199-Q202 PolarHBondContact O-N 3.29Å; E199-K203 WeakPolarHBondContact O-CB 3.48Å; E199-K203 PolarHBondContact O-N 2.92Å
200R98.1Very high96.7Very high71 Ų7168.6 Ų68.627%0.26835%0.348SS..Hα-helixtrans-60.5-45.4175177.3-179.3170.1-169.62.1112.1P118 A121 A196 I197 A198 K203 D204P118-R200 PolarHBondContact O-NH2 3.43Å; A121-R200 VanDerWaalsContact O-CZ 3.26Å; A121-R200 PolarHBondContact O-NH1 2.98Å; A121-R200 PolarHBondContact O-NH2 2.92Å; A196-R200 WeakPolarHBondContact O-CB 3.38Å; A196-R200 PolarHBondContact O-N 2.85Å; A196-R200 VanDerWaalsContact O-N 3.14Å; I197-R200 PolarHBondContact O-N 3.5Å; A198-R200 VanDerWaalsContact C-N 3.34Å; A198-R200 PolarHBondContact O-N 3.2Å; R200-K203 PolarHBondContact O-N 3.42Å; R200-D204 IonicContact NE-OD2 3.06Å; R200-D204 WeakPolarHBondContact O-CB 3.4Å; R200-D204 VanDerWaalsContact O-CG 3.28Å; R200-D204 PolarHBondContact O-N 3.26Å
201V98.1Very high96.6Very high12 Ų1273.9 Ų73.97%0.07338%0.376CS..Hα-helixtrans-59.6-47.6177.5163.80000110.4S89 I197 A198 E199 K203 D204 T205S89-V201 WeakPolarHBondContact O-CG2 3.44Å; I197-V201 HydrophobicContact CG2-CG2 4.26Å; I197-V201 WeakPolarHBondContact O-CB 3.43Å; I197-V201 VanDerWaalsContact O-CG2 3.26Å; I197-V201 WeakPolarHBondContact O-CG2 3.13Å; I197-V201 PolarHBondContact O-N 3.09Å; A198-V201 PolarHBondContact O-N 2.91Å; E199-V201 PolarHBondContact O-N 3.34Å; V201-K203 VanDerWaalsContact C-N 3.31Å; V201-K203 PolarHBondContact O-N 3.06Å; V201-D204 PolarHBondContact O-N 3.46Å; V201-T205 VanDerWaalsContact O-CB 3.23Å; V201-T205 WeakPolarHBondContact O-CB 3.45Å; V201-T205 PolarHBondContact O-N 2.98Å; V201-T205 PolarHBondContact O-OG1 2.78Å
202Q97.6Very high96.6Very high143 Ų14377.7 Ų77.767%0.66839%0.39SS*.Hα-helixtrans-57.8-45.1177.4-74.1178.57.700111.9A198 E199 A206A198-Q202 WeakPolarHBondContact O-CG 3.39Å; A198-Q202 PolarHBondContact O-N 2.91Å; E199-Q202 PolarHBondContact O-N 3.29Å; Q202-A206 VanDerWaalsContact O-CB 3.31Å; Q202-A206 WeakPolarHBondContact O-CB 3.26Å; Q202-A206 PolarHBondContact O-N 2.8Å
203K98.2Very high96.6Very high128 Ų12875.5 Ų75.556%0.55738%0.382SS*.Hα-helixtrans-62.4-55176.6-179.4-178.6171.5-178.80111.9E199 R200 V201 T205 A206 E207E199-K203 WeakPolarHBondContact O-CB 3.48Å; E199-K203 PolarHBondContact O-N 2.92Å; R200-K203 PolarHBondContact O-N 3.42Å; V201-K203 VanDerWaalsContact C-N 3.31Å; V201-K203 PolarHBondContact O-N 3.06Å; K203-T205 PolarHBondContact O-N 3.28Å; K203-A206 PolarHBondContact O-N 3.44Å; K203-A206 VanDerWaalsContact O-N 3.14Å; K203-E207 WeakPolarHBondContact CE-OE1 3.37Å; K203-E207 IonicContact NZ-OE1 3.94Å; K203-E207 WeakPolarHBondContact O-CG 2.88Å; K203-E207 PolarHBondContact O-N 2.99Å
204D97.9Very high96.7Very high20 Ų2075.5 Ų75.511%0.10738%0.379CS..Hα-helixtrans-58.8-37.9-178-72.2-9.5000111.2R119 R200 V201 Q208R119-D204 HydrophobicContact CG-CB 4.35Å; R200-D204 IonicContact NE-OD2 3.06Å; R200-D204 WeakPolarHBondContact O-CB 3.4Å; R200-D204 VanDerWaalsContact O-CG 3.28Å; R200-D204 PolarHBondContact O-N 3.26Å; V201-D204 PolarHBondContact O-N 3.46Å; D204-Q208 WeakPolarHBondContact O-CB 3.49Å; D204-Q208 PolarHBondContact O-N 2.87Å
205T97.8Very high96.7Very high13 Ų1376.9 Ų76.98%0.0839%0.389CS..Hα-helixtrans-71.1-42177.5-63.30000111.8S87 E88 V201 K203 Q208 R209S87-T205 PolarHBondContact O-OG1 3.28Å; E88-T205 HydrophobicContact CG-CG2 3.98Å; E88-T205 PolarHBondContact N-OG1 2.89Å; V201-T205 VanDerWaalsContact O-CB 3.23Å; V201-T205 WeakPolarHBondContact O-CB 3.45Å; V201-T205 PolarHBondContact O-N 2.98Å; V201-T205 PolarHBondContact O-OG1 2.78Å; K203-T205 PolarHBondContact O-N 3.28Å; T205-Q208 PolarHBondContact O-N 3.42Å; T205-R209 HydrophobicContact CG2-CG 4.47Å; T205-R209 VanDerWaalsContact CG2-CZ 3.49Å; T205-R209 WeakPolarHBondContact O-CB 3.48Å; T205-R209 VanDerWaalsContact O-CG 3.31Å; T205-R209 WeakPolarHBondContact O-CG 3.38Å; T205-R209 PolarHBondContact O-N 2.91Å
206A97.8Very high96.6Very high58 Ų5878 Ų7848%0.47939%0.392SS..Hα-helixtrans-63-43.6175.700000111.5Q202 K203 R209 A210Q202-A206 VanDerWaalsContact O-CB 3.31Å; Q202-A206 WeakPolarHBondContact O-CB 3.26Å; Q202-A206 PolarHBondContact O-N 2.8Å; K203-A206 PolarHBondContact O-N 3.44Å; K203-A206 VanDerWaalsContact O-N 3.14Å; A206-R209 PolarHBondContact O-N 2.88Å; A206-A210 WeakPolarHBondContact O-CB 3.45Å; A206-A210 PolarHBondContact O-N 2.85Å
207E97.3Very high96.6Very high97 Ų9780.4 Ų80.445%0.45339%0.39SS..Hα-helixtrans-61.5-43.8175.5-72.6178.1-175.300111.8K203 L211K203-E207 WeakPolarHBondContact CE-OE1 3.37Å; K203-E207 IonicContact NZ-OE1 3.94Å; K203-E207 WeakPolarHBondContact O-CG 2.88Å; K203-E207 PolarHBondContact O-N 2.99Å; E207-L211 PolarHBondContact O-N 2.98Å; E207-L211 VanDerWaalsContact O-N 3.14Å
208Q96.3Very high96.6Very high16 Ų1684 Ų848%0.07541%0.406CS..Hα-helixtrans-61.9-47175.8-174.5174.5-22.800111.8N84 S87 R119 D204 T205 A210 L211 E212N84-Q208 PolarHBondContact O-NE2 3.46Å; S87-Q208 PolarHBondContact OG-OE1 3.29Å; R119-Q208 VanDerWaalsContact NH1-CD 3.3Å; D204-Q208 WeakPolarHBondContact O-CB 3.49Å; D204-Q208 PolarHBondContact O-N 2.87Å; T205-Q208 PolarHBondContact O-N 3.42Å; Q208-A210 VanDerWaalsContact C-N 3.35Å; Q208-A210 PolarHBondContact O-N 3.48Å; Q208-L211 PolarHBondContact O-N 3.27Å; Q208-E212 HydrophobicContact CG-CG 4.42Å; Q208-E212 VanDerWaalsContact CG-OE1 3.31Å; Q208-E212 WeakPolarHBondContact CG-OE1 3.21Å; Q208-E212 PolarHBondContact NE2-OE1 2.99Å; Q208-E212 WeakPolarHBondContact O-CG 3.41Å; Q208-E212 PolarHBondContact O-N 2.75Å
209R95.4Very high96.5Very high146 Ų14690.5 Ų90.555%0.55143%0.429SS*.Hα-helixtrans-64.1-39.5-179.3-73.8177.3-172.1173.76.1112.2E88 T205 A206 L211 E212 E213E88-R209 IonicContact OE1-CZ 2.75Å; E88-R209 IonicContact OE1-NE 2.94Å; E88-R209 IonicContact OE1-NH2 3.57Å; E88-R209 PolarHBondContact OE1-NH2 3.46Å; T205-R209 HydrophobicContact CG2-CG 4.47Å; T205-R209 VanDerWaalsContact CG2-CZ 3.49Å; T205-R209 WeakPolarHBondContact O-CB 3.48Å; T205-R209 VanDerWaalsContact O-CG 3.31Å; T205-R209 WeakPolarHBondContact O-CG 3.38Å; T205-R209 PolarHBondContact O-N 2.91Å; A206-R209 PolarHBondContact O-N 2.88Å; R209-L211 VanDerWaalsContact C-N 3.34Å; R209-L211 PolarHBondContact O-N 3.3Å; R209-E212 PolarHBondContact O-N 2.7Å; R209-E213 WeakPolarHBondContact O-CB 3.5Å; R209-E213 PolarHBondContact O-N 2.77Å
210A96.8Very high96.4Very high59 Ų5986.6 Ų86.649%0.48842%0.421SS..Hα-helixtrans-61.8-4317600000111.7A206 Q208 E213 Q214A206-A210 WeakPolarHBondContact O-CB 3.45Å; A206-A210 PolarHBondContact O-N 2.85Å; Q208-A210 VanDerWaalsContact C-N 3.35Å; Q208-A210 PolarHBondContact O-N 3.48Å; A210-E213 PolarHBondContact O-N 2.84Å; A210-Q214 WeakPolarHBondContact O-CB 3.23Å; A210-Q214 PolarHBondContact O-N 2.77Å
211L95Very high96.4Very high112 Ų11288.7 Ų88.759%0.58643%0.433SS*.Hα-helixtrans-65.1-44.1176.7-174.168.1000111.9E207 Q208 R209 E213 Q214 D215E207-L211 PolarHBondContact O-N 2.98Å; E207-L211 VanDerWaalsContact O-N 3.14Å; Q208-L211 PolarHBondContact O-N 3.27Å; R209-L211 VanDerWaalsContact C-N 3.34Å; R209-L211 PolarHBondContact O-N 3.3Å; L211-E213 VanDerWaalsContact C-N 3.34Å; L211-Q214 PolarHBondContact O-N 3.02Å; L211-D215 WeakPolarHBondContact O-CB 3.4Å; L211-D215 PolarHBondContact O-N 3.4Å
212E94.3Very high96.3Very high98 Ų9896 Ų9646%0.45846%0.46SS..Hα-helixtrans-64.5-38.3177.1-72.9172.5-175.400112.1Q208 R209 K216Q208-E212 HydrophobicContact CG-CG 4.42Å; Q208-E212 VanDerWaalsContact CG-OE1 3.31Å; Q208-E212 WeakPolarHBondContact CG-OE1 3.21Å; Q208-E212 PolarHBondContact NE2-OE1 2.99Å; Q208-E212 WeakPolarHBondContact O-CG 3.41Å; Q208-E212 PolarHBondContact O-N 2.75Å; R209-E212 PolarHBondContact O-N 2.7Å; E212-K216 VanDerWaalsContact O-CB 3.25Å; E212-K216 WeakPolarHBondContact O-CB 3.49Å; E212-K216 PolarHBondContact O-N 2.86Å
213E95.4Very high96.1Very high104 Ų10493.8 Ų93.849%0.48646%0.455SS..Hα-helixtrans-67-40.8175.9-169.7-175.4156.500111.5R209 A210 L211 K216 K217R209-E213 WeakPolarHBondContact O-CB 3.5Å; R209-E213 PolarHBondContact O-N 2.77Å; A210-E213 PolarHBondContact O-N 2.84Å; L211-E213 VanDerWaalsContact C-N 3.34Å; E213-K216 PolarHBondContact O-N 3Å; E213-K217 WeakPolarHBondContact O-CG 3.31Å; E213-K217 PolarHBondContact O-N 2.95Å; E213-K217 WeakPolarHBondContact OE1-CE 3.46Å; E213-K217 IonicContact OE1-NZ 2.69Å; E213-K217 PolarHBondContact OE1-NZ 2.9Å
214Q95.8Very high96Very high104 Ų10495.4 Ų95.449%0.48646%0.458SS..Hα-helixtrans-62.1-50.8174.9-176.7-178.4-9.600111.3A210 L211 K216 K217 E218A210-Q214 WeakPolarHBondContact O-CB 3.23Å; A210-Q214 PolarHBondContact O-N 2.77Å; L211-Q214 PolarHBondContact O-N 3.02Å; Q214-K216 VanDerWaalsContact C-N 3.27Å; Q214-K216 PolarHBondContact O-N 3.4Å; Q214-K217 WeakPolarHBondContact O-CB 3.37Å; Q214-K217 PolarHBondContact O-N 2.85Å; Q214-E218 WeakPolarHBondContact CG-OE1 3.25Å; Q214-E218 PolarHBondContact NE2-OE1 3.37Å; Q214-E218 WeakPolarHBondContact O-CG 3.5Å; Q214-E218 PolarHBondContact O-N 2.99Å
215D95Very high95.9Very high63 Ų63103 Ų10334%0.33749%0.485SS..Hα-helixtrans-60.9-37.6177.7177.642.8000111.3L211 E218 R219L211-D215 WeakPolarHBondContact O-CB 3.4Å; L211-D215 PolarHBondContact O-N 3.4Å; D215-E218 PolarHBondContact O-N 3.44Å; D215-R219 VanDerWaalsContact O-CB 3.31Å; D215-R219 WeakPolarHBondContact O-CB 3.4Å; D215-R219 WeakPolarHBondContact O-CG 3.28Å; D215-R219 PolarHBondContact O-N 3.39Å; D215-R219 IonicContact OD1-CZ 2.85Å; D215-R219 IonicContact OD1-NE 3.11Å; D215-R219 PolarHBondContact OD1-NE 3.19Å; D215-R219 IonicContact OD1-NH2 3.96Å; D215-R219 PolarHBondContact OD1-NH2 3.4Å; D215-R219 IonicContact OD2-CZ 3.17Å; D215-R219 IonicContact OD2-NE 2.7Å; D215-R219 PolarHBondContact OD2-NE 3.44Å; D215-R219 IonicContact OD2-NH1 3.29Å; D215-R219 IonicContact OD2-NH2 2.75Å; D215-R219 PolarHBondContact OD2-NH2 2.87Å
216K94.9Very high95.7Very high157 Ų157106.6 Ų106.668%0.68350%0.503SS*.Hα-helixtrans-62.9-42.1173.1-174.3178.4179.1-177.70112.3E212 E213 Q214 A220E212-K216 VanDerWaalsContact O-CB 3.25Å; E212-K216 WeakPolarHBondContact O-CB 3.49Å; E212-K216 PolarHBondContact O-N 2.86Å; E213-K216 PolarHBondContact O-N 3Å; Q214-K216 VanDerWaalsContact C-N 3.27Å; Q214-K216 PolarHBondContact O-N 3.4Å; K216-A220 VanDerWaalsContact O-CB 3.31Å; K216-A220 WeakPolarHBondContact O-CB 3.49Å; K216-A220 PolarHBondContact O-N 3.28Å
217K96.3Very high95.5Very high115 Ų115111.7 Ų111.750%0.551%0.51SS..Hα-helixtrans-63.9-48.9176-75171.7-176.5166.90111.1E213 Q214 R219 A220 E221E213-K217 WeakPolarHBondContact O-CG 3.31Å; E213-K217 PolarHBondContact O-N 2.95Å; E213-K217 WeakPolarHBondContact OE1-CE 3.46Å; E213-K217 IonicContact OE1-NZ 2.69Å; E213-K217 PolarHBondContact OE1-NZ 2.9Å; Q214-K217 WeakPolarHBondContact O-CB 3.37Å; Q214-K217 PolarHBondContact O-N 2.85Å; K217-R219 VanDerWaalsContact C-N 3.33Å; K217-R219 PolarHBondContact O-N 3.33Å; K217-A220 PolarHBondContact O-N 3.47Å; K217-A220 VanDerWaalsContact O-N 3.16Å; K217-E221 WeakPolarHBondContact O-CG 3.5Å; K217-E221 PolarHBondContact O-N 3.38Å
218E96.2Very high95.4Very high95 Ų95111.5 Ų111.544%0.44451%0.509SS..Hα-helixtrans-60.4-42178.3-70.8177-167.200112.1Q214 D215 E221 R222Q214-E218 WeakPolarHBondContact CG-OE1 3.25Å; Q214-E218 PolarHBondContact NE2-OE1 3.37Å; Q214-E218 WeakPolarHBondContact O-CG 3.5Å; Q214-E218 PolarHBondContact O-N 2.99Å; D215-E218 PolarHBondContact O-N 3.44Å; E218-E221 PolarHBondContact O-N 3.12Å; E218-R222 WeakPolarHBondContact O-CB 3.26Å; E218-R222 PolarHBondContact O-N 2.97Å
219R95.8Very high95.3Very high148 Ų148116.8 Ų116.856%0.55853%0.534SS*.Hα-helixtrans-64.3-43.9174.4-72.2172-170.5-162.64.7111.9D215 K217 E221 R222 V223D215-R219 VanDerWaalsContact O-CB 3.31Å; D215-R219 WeakPolarHBondContact O-CB 3.4Å; D215-R219 WeakPolarHBondContact O-CG 3.28Å; D215-R219 PolarHBondContact O-N 3.39Å; D215-R219 IonicContact OD1-CZ 2.85Å; D215-R219 IonicContact OD1-NE 3.11Å; D215-R219 PolarHBondContact OD1-NE 3.19Å; D215-R219 IonicContact OD1-NH2 3.96Å; D215-R219 PolarHBondContact OD1-NH2 3.4Å; D215-R219 IonicContact OD2-CZ 3.17Å; D215-R219 IonicContact OD2-NE 2.7Å; D215-R219 PolarHBondContact OD2-NE 3.44Å; D215-R219 IonicContact OD2-NH1 3.29Å; D215-R219 IonicContact OD2-NH2 2.75Å; D215-R219 PolarHBondContact OD2-NH2 2.87Å; K217-R219 VanDerWaalsContact C-N 3.33Å; K217-R219 PolarHBondContact O-N 3.33Å; R219-E221 VanDerWaalsContact C-N 3.35Å; R219-R222 PolarHBondContact O-N 3.45Å; R219-V223 VanDerWaalsContact O-CG2 3.31Å; R219-V223 WeakPolarHBondContact O-CG2 3.35Å; R219-V223 PolarHBondContact O-N 2.89Å
220A95.4Very high95.1Very high60 Ų60117.4 Ų117.450%0.49654%0.536SS..Hα-helixtrans-62.8-41.8178.100000111.6K216 K217 V223 R224K216-A220 VanDerWaalsContact O-CB 3.31Å; K216-A220 WeakPolarHBondContact O-CB 3.49Å; K216-A220 PolarHBondContact O-N 3.28Å; K217-A220 PolarHBondContact O-N 3.47Å; K217-A220 VanDerWaalsContact O-N 3.16Å; A220-V223 PolarHBondContact O-N 2.95Å; A220-R224 WeakPolarHBondContact O-CB 3.14Å; A220-R224 PolarHBondContact O-N 3.35Å
221E96.4Very high94.9Very high115 Ų115117.5 Ų117.554%0.53753%0.527SS..Hα-helixtrans-64.2-41.9174.8-73.9-179.4-17200112.4K217 E218 R219 R224 R225K217-E221 WeakPolarHBondContact O-CG 3.5Å; K217-E221 PolarHBondContact O-N 3.38Å; E218-E221 PolarHBondContact O-N 3.12Å; R219-E221 VanDerWaalsContact C-N 3.35Å; E221-R224 PolarHBondContact O-N 2.93Å; E221-R225 WeakPolarHBondContact O-CG 3.11Å; E221-R225 PolarHBondContact O-N 2.96Å
222R95.6Very high94.8Very high166 Ų166120 Ų12063%0.62653%0.528SS*.Hα-helixtrans-60.5-46.5175.1-174.9-177.4-64.9165.62.4111.3E218 R219 R224 R225 I226E218-R222 WeakPolarHBondContact O-CB 3.26Å; E218-R222 PolarHBondContact O-N 2.97Å; R219-R222 PolarHBondContact O-N 3.45Å; R222-R224 VanDerWaalsContact C-N 3.32Å; R222-R224 PolarHBondContact O-N 2.98Å; R222-R225 PolarHBondContact O-N 3.38Å; R222-I226 HydrophobicContact CG-CD1 4.09Å; R222-I226 VanDerWaalsContact O-CG1 3.32Å; R222-I226 WeakPolarHBondContact O-CG1 3.34Å; R222-I226 PolarHBondContact O-N 2.55Å; R222-I226 VanDerWaalsContact O-N 3.08Å
223V95.3Very high94.7Very high95 Ų95119.7 Ų119.758%0.57653%0.529SS*.Hα-helixtrans-63.3-41.1177.7172.20000110.8R219 A220 I226 R227R219-V223 VanDerWaalsContact O-CG2 3.31Å; R219-V223 WeakPolarHBondContact O-CG2 3.35Å; R219-V223 PolarHBondContact O-N 2.89Å; A220-V223 PolarHBondContact O-N 2.95Å; V223-I226 PolarHBondContact O-N 3.37Å; V223-R227 WeakPolarHBondContact O-CB 3.39Å; V223-R227 PolarHBondContact O-N 2.89Å
224R95.6Very high94.4Very high163 Ų163119.8 Ų119.862%0.61553%0.53SS*.Hα-helixtrans-60.4-47.5176.1-178.5179.4172.7179.20.5111.9A220 E221 R222 I226 R227 E228A220-R224 WeakPolarHBondContact O-CB 3.14Å; A220-R224 PolarHBondContact O-N 3.35Å; E221-R224 PolarHBondContact O-N 2.93Å; R222-R224 VanDerWaalsContact C-N 3.32Å; R222-R224 PolarHBondContact O-N 2.98Å; R224-I226 PolarHBondContact O-N 3.09Å; R224-R227 PolarHBondContact O-N 3.14Å; R224-E228 HydrophobicContact CG-CG 4.39Å; R224-E228 IonicContact CZ-OE1 3.39Å; R224-E228 IonicContact NE-OE1 3.35Å; R224-E228 PolarHBondContact NE-OE1 3.37Å; R224-E228 IonicContact NH2-OE1 3.16Å; R224-E228 PolarHBondContact NH2-OE1 3.14Å; R224-E228 VanDerWaalsContact NH2-OE1 3.16Å; R224-E228 WeakPolarHBondContact O-CG 3.3Å; R224-E228 PolarHBondContact O-N 2.83Å
225R95.4Very high94Very high178 Ų178122 Ų12267%0.67253%0.534SS*.Hα-helixtrans-59.9-44.8177.2-72.1-179.2-172.1-127.24.2112.2E221 R222 R227 E228 E229E221-R225 WeakPolarHBondContact O-CG 3.11Å; E221-R225 PolarHBondContact O-N 2.96Å; R222-R225 PolarHBondContact O-N 3.38Å; R225-R227 VanDerWaalsContact C-N 3.28Å; R225-R227 PolarHBondContact O-N 3.38Å; R225-E228 PolarHBondContact O-N 2.81Å; R225-E229 WeakPolarHBondContact O-CB 3.45Å; R225-E229 PolarHBondContact O-N 3.47Å
226I93.9Very high93.6Very high90 Ų90122.4 Ų122.446%0.46253%0.533SS..Hα-helixtrans-61.4-39.5177-68.9167000111R222 V223 R224 R230R222-I226 HydrophobicContact CG-CD1 4.09Å; R222-I226 VanDerWaalsContact O-CG1 3.32Å; R222-I226 WeakPolarHBondContact O-CG1 3.34Å; R222-I226 PolarHBondContact O-N 2.55Å; R222-I226 VanDerWaalsContact O-N 3.08Å; V223-I226 PolarHBondContact O-N 3.37Å; R224-I226 PolarHBondContact O-N 3.09Å; I226-R230 WeakPolarHBondContact O-CB 3.43Å; I226-R230 PolarHBondContact O-N 3.48Å
227R93.7Very high93.3Very high165 Ų165120.7 Ų120.762%0.62353%0.528SS*.Hα-helixtrans-68.2-47.1178-176.8177.6174.7170.72.9111.9V223 R224 R225 E229 R230 E231V223-R227 WeakPolarHBondContact O-CB 3.39Å; V223-R227 PolarHBondContact O-N 2.89Å; R224-R227 PolarHBondContact O-N 3.14Å; R225-R227 VanDerWaalsContact C-N 3.28Å; R225-R227 PolarHBondContact O-N 3.38Å; R227-E229 VanDerWaalsContact C-N 3.32Å; R227-E229 PolarHBondContact O-N 3.08Å; R227-R230 PolarHBondContact O-N 3.17Å; R227-E231 HydrophobicContact CG-CG 4.47Å; R227-E231 WeakPolarHBondContact CG-OE1 3.43Å; R227-E231 IonicContact CZ-OE1 2.93Å; R227-E231 IonicContact NE-OE1 2.64Å; R227-E231 PolarHBondContact NE-OE1 2.6Å; R227-E231 IonicContact NH2-OE1 3.61Å; R227-E231 WeakPolarHBondContact O-CB 3.29Å; R227-E231 WeakPolarHBondContact O-CG 3.45Å; R227-E231 PolarHBondContact O-N 2.89Å
228E94.9Very high92.8Very high93 Ų93116.5 Ų116.544%0.43551%0.514SS..Hα-helixtrans-61.4-39.3177.3-72.9172.9176.400111.6R224 R225 R232R224-E228 HydrophobicContact CG-CG 4.39Å; R224-E228 IonicContact CZ-OE1 3.39Å; R224-E228 IonicContact NE-OE1 3.35Å; R224-E228 PolarHBondContact NE-OE1 3.37Å; R224-E228 IonicContact NH2-OE1 3.16Å; R224-E228 PolarHBondContact NH2-OE1 3.14Å; R224-E228 VanDerWaalsContact NH2-OE1 3.16Å; R224-E228 WeakPolarHBondContact O-CG 3.3Å; R224-E228 PolarHBondContact O-N 2.83Å; R225-E228 PolarHBondContact O-N 2.81Å; E228-R232 VanDerWaalsContact O-CB 3.3Å; E228-R232 WeakPolarHBondContact O-CB 3.23Å; E228-R232 PolarHBondContact O-N 3.11Å
229E94Very high92.2Very high126 Ų126118.1 Ų118.159%0.58952%0.522SS*.Hα-helixtrans-66.4-42.9175.1-174176.8-170.200112.1R225 R227 R232 L233R225-E229 WeakPolarHBondContact O-CB 3.45Å; R225-E229 PolarHBondContact O-N 3.47Å; R227-E229 VanDerWaalsContact C-N 3.32Å; R227-E229 PolarHBondContact O-N 3.08Å; E229-R232 PolarHBondContact O-N 2.75Å; E229-L233 HydrophobicContact CG-CD1 4.39Å; E229-L233 WeakPolarHBondContact O-CG 3.06Å; E229-L233 PolarHBondContact O-N 2.86Å
230R92.1Very high91.4Very high159 Ų159119.1 Ų119.160%0.653%0.533SS*.Hα-helixtrans-62.6-48.4175.5-175-172.7-65.5-169.6-2.9111.6I226 R227 R232 L233 E234I226-R230 WeakPolarHBondContact O-CB 3.43Å; I226-R230 PolarHBondContact O-N 3.48Å; R227-R230 PolarHBondContact O-N 3.17Å; R230-R232 PolarHBondContact O-N 3.37Å; R230-L233 PolarHBondContact O-N 3.26Å; R230-E234 WeakPolarHBondContact CD-OE1 3.25Å; R230-E234 HydrophobicContact CG-CG 4.38Å; R230-E234 WeakPolarHBondContact CG-OE1 3.36Å; R230-E234 WeakPolarHBondContact O-CB 2.91Å; R230-E234 WeakPolarHBondContact O-CG 3.47Å; R230-E234 PolarHBondContact O-N 3.48Å
231E92.2Very high90.8Very high62 Ų62122.4 Ų122.429%0.2954%0.538SS..Hα-helixtrans-60.7-35178-73.9173.6-169.100111.2R227 R235R227-E231 HydrophobicContact CG-CG 4.47Å; R227-E231 WeakPolarHBondContact CG-OE1 3.43Å; R227-E231 IonicContact CZ-OE1 2.93Å; R227-E231 IonicContact NE-OE1 2.64Å; R227-E231 PolarHBondContact NE-OE1 2.6Å; R227-E231 IonicContact NH2-OE1 3.61Å; R227-E231 WeakPolarHBondContact O-CB 3.29Å; R227-E231 WeakPolarHBondContact O-CG 3.45Å; R227-E231 PolarHBondContact O-N 2.89Å; E231-R235 WeakPolarHBondContact O-CG 3.25Å; E231-R235 PolarHBondContact O-N 3.4Å; E231-R235 VanDerWaalsContact O-N 3.07Å
232R93.1Very high89.6Confident164 Ų164120 Ų12062%0.61954%0.544SS*.Hα-helixtrans-67.6-46.9175-175179.7170-162.7-4.5112.3E228 E229 R230 E234 R235 E236E228-R232 VanDerWaalsContact O-CB 3.3Å; E228-R232 WeakPolarHBondContact O-CB 3.23Å; E228-R232 PolarHBondContact O-N 3.11Å; E229-R232 PolarHBondContact O-N 2.75Å; R230-R232 PolarHBondContact O-N 3.37Å; R232-E234 VanDerWaalsContact C-N 3.34Å; R232-R235 PolarHBondContact O-N 2.88Å; R232-E236 IonicContact CZ-OE1 3.2Å; R232-E236 IonicContact NE-OE1 2.78Å; R232-E236 PolarHBondContact NE-OE1 2.93Å; R232-E236 IonicContact NH2-OE1 3.93Å; R232-E236 PolarHBondContact NH2-OE1 2.7Å; R232-E236 WeakPolarHBondContact O-CG 3.21Å; R232-E236 PolarHBondContact O-N 3.17Å
233L92Very high88.1Confident91 Ų91119.9 Ų119.948%0.47654%0.544SS..Hα-helixtrans-62.4-41.5176.7-72169.5000111.6E229 R230 R235 E236 E237E229-L233 HydrophobicContact CG-CD1 4.39Å; E229-L233 WeakPolarHBondContact O-CG 3.06Å; E229-L233 PolarHBondContact O-N 2.86Å; R230-L233 PolarHBondContact O-N 3.26Å; L233-R235 VanDerWaalsContact C-N 3.34Å; L233-R235 PolarHBondContact O-N 3.22Å; L233-E236 PolarHBondContact O-N 3.14Å; L233-E237 WeakPolarHBondContact O-CG 3.41Å; L233-E237 PolarHBondContact O-N 3.29Å
234E88.9Confident86.3Confident107 Ų107120.9 Ų120.950%0.555%0.552SS.*Hα-helixtrans-62.4-38.9176.3-75173.1-172.600111.9R230 R232 A238R230-E234 WeakPolarHBondContact CD-OE1 3.25Å; R230-E234 HydrophobicContact CG-CG 4.38Å; R230-E234 WeakPolarHBondContact CG-OE1 3.36Å; R230-E234 WeakPolarHBondContact O-CB 2.91Å; R230-E234 WeakPolarHBondContact O-CG 3.47Å; R230-E234 PolarHBondContact O-N 3.48Å; R232-E234 VanDerWaalsContact C-N 3.34Å; E234-A238 WeakPolarHBondContact O-CB 3.41Å; E234-A238 PolarHBondContact O-N 3.31Å
235R86.4Confident84.3Confident151 Ų151116.4 Ų116.457%0.5754%0.543SS*.Hα-helixtrans-65.6-46.1172.4-75.5-176.5-137.7167.63.5112.2E231 R232 L233 E237 A238 E239E231-R235 WeakPolarHBondContact O-CG 3.25Å; E231-R235 PolarHBondContact O-N 3.4Å; E231-R235 VanDerWaalsContact O-N 3.07Å; R232-R235 PolarHBondContact O-N 2.88Å; L233-R235 VanDerWaalsContact C-N 3.34Å; L233-R235 PolarHBondContact O-N 3.22Å; R235-E237 VanDerWaalsContact C-N 3.3Å; R235-E237 PolarHBondContact O-N 3.34Å; R235-A238 PolarHBondContact O-N 3.34Å; R235-E239 WeakPolarHBondContact O-CG 3.31Å; R235-E239 PolarHBondContact O-N 3.01Å
236E87.8Confident82.3Confident71 Ų71115.6 Ų115.633%0.33255%0.547SS..Hα-helixtrans-61.2-38177.9-71.9175.9-172.100111.4R232 L233 Q240R232-E236 IonicContact CZ-OE1 3.2Å; R232-E236 IonicContact NE-OE1 2.78Å; R232-E236 PolarHBondContact NE-OE1 2.93Å; R232-E236 IonicContact NH2-OE1 3.93Å; R232-E236 PolarHBondContact NH2-OE1 2.7Å; R232-E236 WeakPolarHBondContact O-CG 3.21Å; R232-E236 PolarHBondContact O-N 3.17Å; L233-E236 PolarHBondContact O-N 3.14Å; E236-Q240 WeakPolarHBondContact O-CG 3.32Å; E236-Q240 PolarHBondContact O-N 3.37Å
237E88.6Confident80.2Confident121 Ų121119.7 Ų119.757%0.56556%0.564SS**Hα-helixtrans-68.3-43.4173-76.8-177.3173.400112.6L233 R235 E239 Q240 E241L233-E237 WeakPolarHBondContact O-CG 3.41Å; L233-E237 PolarHBondContact O-N 3.29Å; R235-E237 VanDerWaalsContact C-N 3.3Å; R235-E237 PolarHBondContact O-N 3.34Å; E237-E239 VanDerWaalsContact C-N 3.32Å; E237-E239 PolarHBondContact O-N 3.35Å; E237-Q240 PolarHBondContact O-N 2.93Å; E237-Q240 VanDerWaalsContact O-N 3.16Å; E237-E241 PolarHBondContact O-N 2.91Å
238A84.3Confident78.2Confident26 Ų26119.1 Ų119.122%0.21557%0.573CS.*Hα-helixtrans-62.3-39.3178.500000112.4E234 R235 E241 G242 R243E234-A238 WeakPolarHBondContact O-CB 3.41Å; E234-A238 PolarHBondContact O-N 3.31Å; R235-A238 PolarHBondContact O-N 3.34Å; A238-E241 PolarHBondContact O-N 2.92Å; A238-G242 PolarHBondContact O-N 3.33Å; A238-R243 PolarHBondContact O-N 2.84Å; A238-R243 VanDerWaalsContact O-N 3.12Å
239E83.6Confident75.7Confident129 Ų129123.1 Ų123.160%0.60359%0.592SS**Hα-helixtrans-62.8-41.8172.8-73.6177.5-171.600111.7R235 E237 G242 V245R235-E239 WeakPolarHBondContact O-CG 3.31Å; R235-E239 PolarHBondContact O-N 3.01Å; E237-E239 VanDerWaalsContact C-N 3.32Å; E237-E239 PolarHBondContact O-N 3.35Å; E239-G242 PolarHBondContact O-N 3.07Å; E239-V245 HydrophobicContact CG-CG2 3.8Å
240Q81.1Confident73.6Confident169 Ų169122.2 Ų122.279%0.7961%0.606SS**Hα-helixtrans-67.9-35.5177-75-177.225.100113.3E236 E237 G242E236-Q240 WeakPolarHBondContact O-CG 3.32Å; E236-Q240 PolarHBondContact O-N 3.37Å; E237-Q240 PolarHBondContact O-N 2.93Å; E237-Q240 VanDerWaalsContact O-N 3.16Å; Q240-G242 PolarHBondContact O-N 3.4Å
241E82.7Confident71.2Confident129 Ų129121.3 Ų121.360%0.60361%0.613SS**THydrogen-bonded Turntrans-77-4176.2-70.2-166.1167.700113.4E237 A238 R243E237-E241 PolarHBondContact O-N 2.91Å; A238-E241 PolarHBondContact O-N 2.92Å; E241-R243 HydrophobicContact CB-CG 4.44Å; E241-R243 PolarHBondContact O-N 3.13Å; E241-R243 IonicContact OE2-CZ 3.97Å; E241-R243 IonicContact OE2-NE 3.52Å; E241-R243 PolarHBondContact OE2-NE 2.8Å; E241-R243 IonicContact OE2-NH2 2.73Å; E241-R243 PolarHBondContact OE2-NH2 2.82Å
242G69.5Low69.1Low65 Ų65126.6 Ų126.667%0.6764%0.644SS**THydrogen-bonded Turntrans64.622-177.100000113.3A238 E239 Q240A238-G242 PolarHBondContact O-N 3.33Å; E239-G242 PolarHBondContact O-N 3.07Å; Q240-G242 PolarHBondContact O-N 3.4Å
243R64.1Low66.8Low163 Ų163120.6 Ų120.662%0.61563%0.633SS**  trans-72.4138.7168.9-73.5-177.9-160.3-125.51.5108.1A238 E241 V245A238-R243 PolarHBondContact O-N 2.84Å; A238-R243 VanDerWaalsContact O-N 3.12Å; E241-R243 HydrophobicContact CB-CG 4.44Å; E241-R243 PolarHBondContact O-N 3.13Å; E241-R243 IonicContact OE2-CZ 3.97Å; E241-R243 IonicContact OE2-NE 3.52Å; E241-R243 PolarHBondContact OE2-NE 2.8Å; E241-R243 IonicContact OE2-NH2 2.73Å; E241-R243 PolarHBondContact OE2-NH2 2.82Å; R243-V245 PolarHBondContact O-N 2.82Å
244P57.8Low64.9Low117 Ų117122.8 Ų122.876%0.7665%0.645SS**  trans-62.6116.9174.725.8-30.5000108.2Q246P244-Q246 VanDerWaalsContact C-N 3.34Å; P244-Q246 PolarHBondContact O-N 3.27Å
245V54.1Low62.9Low68 Ų68126 Ų12641%0.41266%0.662SS.*  trans-65.5101.5163.8-1790000104.9E239 R243 E247E239-V245 HydrophobicContact CG-CG2 3.8Å; R243-V245 PolarHBondContact O-N 2.82Å; V245-E247 VanDerWaalsContact C-N 3.31Å; V245-E247 PolarHBondContact O-N 3.07Å
246Q53.4Low61.3Low162 Ų162126.3 Ų126.376%0.75767%0.67SS**  trans-64.2104.8162.8-77.7179.6-2.100105P244 D248P244-Q246 VanDerWaalsContact C-N 3.34Å; P244-Q246 PolarHBondContact O-N 3.27Å; Q246-D248 PolarHBondContact O-N 2.76Å; Q246-D248 VanDerWaalsContact O-N 3.07Å
247E51Low59.6Low176 Ų176126.6 Ų126.682%0.82268%0.68SS**  trans-57.3112158.5-72-178160.400104.8V245 E249V245-E247 VanDerWaalsContact C-N 3.31Å; V245-E247 PolarHBondContact O-N 3.07Å; E247-E249 PolarHBondContact O-N 3.25Å
248D49.9Very low58Low152 Ų152126.5 Ų126.581%0.81369%0.69SS**  trans-60.689.9169-69.1-38.8000106.3Q246 A250Q246-D248 PolarHBondContact O-N 2.76Å; Q246-D248 VanDerWaalsContact O-N 3.07Å; D248-A250 PolarHBondContact O-N 3.1Å
249E43.9Very low56.3Low177 Ų177133.1 Ų133.183%0.82771%0.714SS**  trans-50134.8150.3-77.2-151.4153.400105.5E247 D251E247-E249 PolarHBondContact O-N 3.25Å; E249-D251 PolarHBondContact O-N 2.92Å
250A48Very low55.5Low108 Ų108131.4 Ų131.489%0.89371%0.706SS**  trans-63.878.6175.500000109D248 D252D248-A250 PolarHBondContact O-N 3.1Å; A250-D252 PolarHBondContact O-N 3.21Å
251D42.5Very low54.9Low140 Ų140127.1 Ų127.175%0.74969%0.693SS**  trans-71.7111.4165.7-168.428.7000105.2E249 G253E249-D251 PolarHBondContact O-N 2.92Å; D251-G253 PolarHBondContact O-N 3.39Å
252D47.9Very low54Low173 Ų173127.2 Ų127.293%0.92570%0.696SS**  trans-6739.2163.3-166.122.6000110.3A250A250-D252 PolarHBondContact O-N 3.21Å
253G45.2Very low54Low38 Ų38126.1 Ų126.139%0.39269%0.685SS.*  trans-98.397.917800000107.7D251 M255D251-G253 PolarHBondContact O-N 3.39Å; G253-M255 VanDerWaalsContact C-N 3.32Å; G253-M255 PolarHBondContact O-N 3.12Å
254N52.4Low54.2Low136 Ų136122.3 Ų122.373%0.72768%0.677SS**  trans-27.786.3163.3179.837.8000113.3Q256N254-Q256 VanDerWaalsContact C-N 3.27Å; N254-Q256 PolarHBondContact O-N 3.39Å
255M47.6Very low54.5Low176 Ų176121 Ų12187%0.86766%0.663SS**  trans-75.787.1174.1-166.5126.180.200106.9G253 S257G253-M255 VanDerWaalsContact C-N 3.32Å; G253-M255 PolarHBondContact O-N 3.12Å; M255-S257 PolarHBondContact O-N 3.26Å; M255-S257 VanDerWaalsContact O-N 3.1Å
256Q51.4Low55.1Low157 Ų157121.9 Ų121.973%0.73466%0.664SS**  trans-56.9119174.6-88.7-179.5-28.900108.6N254N254-Q256 VanDerWaalsContact C-N 3.27Å; N254-Q256 PolarHBondContact O-N 3.39Å
257S52.1Low56Low77 Ų77117.2 Ų117.254%0.53865%0.649SS.*  trans-46.4125.1174.1170.70000109.8M255 F259M255-S257 PolarHBondContact O-N 3.26Å; M255-S257 VanDerWaalsContact O-N 3.1Å; S257-F259 WeakPolarHBondContact CB-O 3.34Å; S257-F259 PolarHBondContact O-N 3.06Å; S257-F259 VanDerWaalsContact O-N 3.07Å; S257-F259 PolarHBondContact OG-N 3.29Å; S257-F259 PolarHBondContact OG-O 3.3Å
258P54.9Low56.9Low119 Ų119113.5 Ų113.577%0.77363%0.631SS**SBendtrans-64.2-13.8175.226.4-32.9000111.7
259F50.3Low57.8Low164 Ų164114.9 Ų114.972%0.71962%0.624SS**SBendtrans-100.2118.8170.7-59.2-76.5000109.6S257S257-F259 WeakPolarHBondContact CB-O 3.34Å; S257-F259 PolarHBondContact O-N 3.06Å; S257-F259 VanDerWaalsContact O-N 3.07Å; S257-F259 PolarHBondContact OG-N 3.29Å; S257-F259 PolarHBondContact OG-O 3.3Å
260Q65.4Low59.1Low93 Ų93111.5 Ų111.544%0.43561%0.609SS.*PPolyproline II helixtrans-64.2137.5168.3-70.4179.82.500108.8I262 L265Q260-I262 PolarHBondContact O-N 3.49Å; Q260-L265 HydrophobicContact CB-CD1 4.42Å; Q260-L265 HydrophobicContact CB-CD2 4.37Å; Q260-L265 HydrophobicContact CB-CG 4.06Å
261P67.9Low60.2Low79 Ų79112.5 Ų112.551%0.51360%0.595SS.*PPolyproline II helixtrans-47.8136.6171.8-26.133.1000110.3G263 D264 L265P261-G263 PolarHBondContact O-N 3.3Å; P261-D264 WeakPolarHBondContact CD-OD2 3.36Å; P261-D264 WeakPolarHBondContact CG-OD2 3.25Å; P261-D264 WeakPolarHBondContact O-CB 3.44Å; P261-D264 PolarHBondContact O-N 2.98Å; P261-L265 PolarHBondContact O-N 2.86Å
262I65.7Low61.5Low131 Ų131109.1 Ų109.167%0.67258%0.579SS**Hα-helixtrans-56.1-31.7-177.4-68169.7000111Q260 D264 L265 I266Q260-I262 PolarHBondContact O-N 3.49Å; I262-D264 VanDerWaalsContact C-N 3.32Å; I262-D264 PolarHBondContact O-N 3.31Å; I262-L265 PolarHBondContact O-N 3.43Å; I262-I266 HydrophobicContact CG2-CD1 3.65Å; I262-I266 HydrophobicContact CG2-CG1 4.2Å; I262-I266 WeakPolarHBondContact O-CB 3.46Å; I262-I266 VanDerWaalsContact O-CG1 3.22Å; I262-I266 WeakPolarHBondContact O-CG1 3.42Å; I262-I266 PolarHBondContact O-N 2.81Å
263G68.8Low62.3Low42 Ų42104.4 Ų104.443%0.43355%0.554SS.*Hα-helixtrans-60.2-36.9173.500000114P261 I266 S267P261-G263 PolarHBondContact O-N 3.3Å; G263-I266 PolarHBondContact O-N 3.41Å; G263-S267 WeakPolarHBondContact O-CB 3.47Å; G263-S267 PolarHBondContact O-N 3.18Å; G263-S267 PolarHBondContact O-OG 3.07Å
264D68.1Low63.5Low84 Ų84110.6 Ų110.645%0.44957%0.565SS.*Hα-helixtrans-76.4-32.8-179.8-62.8-15.8000111.5P261 I262 K268P261-D264 WeakPolarHBondContact CD-OD2 3.36Å; P261-D264 WeakPolarHBondContact CG-OD2 3.25Å; P261-D264 WeakPolarHBondContact O-CB 3.44Å; P261-D264 PolarHBondContact O-N 2.98Å; I262-D264 VanDerWaalsContact C-N 3.32Å; I262-D264 PolarHBondContact O-N 3.31Å; D264-K268 WeakPolarHBondContact O-CB 3.45Å; D264-K268 WeakPolarHBondContact O-CG 3.31Å; D264-K268 PolarHBondContact O-N 3.4Å
265L63.2Low64.3Low90 Ų90111 Ų11147%0.47156%0.561SS.*Hα-helixtrans-70.5-38.6172.8-72.6170.1000111.9Q260 P261 I262 R269Q260-L265 HydrophobicContact CB-CD1 4.42Å; Q260-L265 HydrophobicContact CB-CD2 4.37Å; Q260-L265 HydrophobicContact CB-CG 4.06Å; P261-L265 PolarHBondContact O-N 2.86Å; I262-L265 PolarHBondContact O-N 3.43Å; L265-R269 VanDerWaalsContact O-CB 3.28Å; L265-R269 WeakPolarHBondContact O-CB 3.43Å; L265-R269 PolarHBondContact O-N 2.82Å
266I68.2Low65Low85 Ų85107.5 Ų107.544%0.43654%0.542SS..Hα-helixtrans-65.5-46173.8-68.6167.5000109.7I262 G263 K268 R269 E270I262-I266 HydrophobicContact CG2-CD1 3.65Å; I262-I266 HydrophobicContact CG2-CG1 4.2Å; I262-I266 WeakPolarHBondContact O-CB 3.46Å; I262-I266 VanDerWaalsContact O-CG1 3.22Å; I262-I266 WeakPolarHBondContact O-CG1 3.42Å; I262-I266 PolarHBondContact O-N 2.81Å; G263-I266 PolarHBondContact O-N 3.41Å; I266-K268 PolarHBondContact O-N 2.79Å; I266-R269 PolarHBondContact O-N 3.37Å; I266-R269 VanDerWaalsContact O-N 3.14Å; I266-E270 HydrophobicContact CG2-CG 4.41Å; I266-E270 WeakPolarHBondContact O-CG 3.47Å; I266-E270 PolarHBondContact O-N 3.3Å
267S71.2Confident65.5Low64 Ų64106.9 Ų106.945%0.44854%0.54SS..Hα-helixtrans-63.2-43.6179.4-56.10000112G263 R269 E270 E271G263-S267 WeakPolarHBondContact O-CB 3.47Å; G263-S267 PolarHBondContact O-N 3.18Å; G263-S267 PolarHBondContact O-OG 3.07Å; S267-R269 VanDerWaalsContact C-N 3.33Å; S267-R269 PolarHBondContact O-N 3.24Å; S267-E270 PolarHBondContact O-N 3.45Å; S267-E271 WeakPolarHBondContact O-CB 3.36Å; S267-E271 PolarHBondContact O-N 2.62Å
268K70Confident65.9Low99 Ų99109.3 Ų109.343%0.4355%0.546SS..Hα-helixtrans-62.9-39.4173.2-80.5178-176.8171.80112D264 I266 E271 T272D264-K268 WeakPolarHBondContact O-CB 3.45Å; D264-K268 WeakPolarHBondContact O-CG 3.31Å; D264-K268 PolarHBondContact O-N 3.4Å; I266-K268 PolarHBondContact O-N 2.79Å; K268-E271 PolarHBondContact O-N 2.98Å; K268-T272 VanDerWaalsContact O-CB 3.31Å; K268-T272 WeakPolarHBondContact O-CB 3.3Å; K268-T272 PolarHBondContact O-N 2.83Å; K268-T272 PolarHBondContact O-OG1 3.37Å
269R68.8Low66.2Low180 Ų180110.1 Ų110.168%0.67954%0.539SS*.Hα-helixtrans-67.6-40.5178.1-163.9168.3-167.7170.44111.4L265 I266 S267 T272 D273L265-R269 VanDerWaalsContact O-CB 3.28Å; L265-R269 WeakPolarHBondContact O-CB 3.43Å; L265-R269 PolarHBondContact O-N 2.82Å; I266-R269 PolarHBondContact O-N 3.37Å; I266-R269 VanDerWaalsContact O-N 3.14Å; S267-R269 VanDerWaalsContact C-N 3.33Å; S267-R269 PolarHBondContact O-N 3.24Å; R269-T272 PolarHBondContact O-N 3.2Å; R269-D273 VanDerWaalsContact O-CB 3.32Å; R269-D273 WeakPolarHBondContact O-CB 3.37Å; R269-D273 PolarHBondContact O-N 3.23Å
270E71.9Confident66.5Low107 Ų107108.7 Ų108.750%0.554%0.538SS..Hα-helixtrans-65.1-37.6173.3-72.2-178.3178.200112.6I266 S267 R274I266-E270 HydrophobicContact CG2-CG 4.41Å; I266-E270 WeakPolarHBondContact O-CG 3.47Å; I266-E270 PolarHBondContact O-N 3.3Å; S267-E270 PolarHBondContact O-N 3.45Å; E270-R274 WeakPolarHBondContact O-CB 3.26Å; E270-R274 WeakPolarHBondContact O-CG 3.34Å; E270-R274 PolarHBondContact O-N 2.55Å
271E71.1Confident65.9Low129 Ų129106.7 Ų106.760%0.60354%0.543SS*.Hα-helixtrans-70.1-36.3172.7-80.8-172.8155.300112.9S267 K268 R274 K275S267-E271 WeakPolarHBondContact O-CB 3.36Å; S267-E271 PolarHBondContact O-N 2.62Å; K268-E271 PolarHBondContact O-N 2.98Å; E271-R274 PolarHBondContact O-N 3.12Å; E271-K275 WeakPolarHBondContact O-CB 3.33Å; E271-K275 PolarHBondContact O-N 2.73Å
272T69.6Low64.9Low68 Ų68109.8 Ų109.842%0.41756%0.555SS.*Hα-helixtrans-70.2-43.3177.3-49.70000109.9K268 R269 R274 K275 E276K268-T272 VanDerWaalsContact O-CB 3.31Å; K268-T272 WeakPolarHBondContact O-CB 3.3Å; K268-T272 PolarHBondContact O-N 2.83Å; K268-T272 PolarHBondContact O-OG1 3.37Å; R269-T272 PolarHBondContact O-N 3.2Å; T272-R274 VanDerWaalsContact C-N 3.3Å; T272-R274 PolarHBondContact O-N 3.08Å; T272-K275 PolarHBondContact O-N 2.67Å; T272-E276 WeakPolarHBondContact O-CB 3.15Å; T272-E276 WeakPolarHBondContact O-CG 3.18Å; T272-E276 PolarHBondContact O-N 3.2Å
273D65.1Low63.9Low74 Ų74114.5 Ų114.540%0.39656%0.564SS.*Hα-helixtrans-63.5-35.3173.8-68-12.7000111.3R269 Q277R269-D273 VanDerWaalsContact O-CB 3.32Å; R269-D273 WeakPolarHBondContact O-CB 3.37Å; R269-D273 PolarHBondContact O-N 3.23Å; D273-Q277 WeakPolarHBondContact O-CB 3.38Å; D273-Q277 VanDerWaalsContact O-CG 3.25Å; D273-Q277 WeakPolarHBondContact O-CG 3.23Å; D273-Q277 PolarHBondContact O-N 3.37Å
274R70.6Confident62.7Low168 Ų168116.9 Ų116.963%0.63457%0.574SS**Hα-helixtrans-68.7-40.6172.3-79.5175-175.9-174.25112.6E270 E271 T272 Q277 L278E270-R274 WeakPolarHBondContact O-CB 3.26Å; E270-R274 WeakPolarHBondContact O-CG 3.34Å; E270-R274 PolarHBondContact O-N 2.55Å; E271-R274 PolarHBondContact O-N 3.12Å; T272-R274 VanDerWaalsContact C-N 3.3Å; T272-R274 PolarHBondContact O-N 3.08Å; R274-Q277 PolarHBondContact O-N 3.17Å; R274-L278 WeakPolarHBondContact O-CD1 3.48Å; R274-L278 VanDerWaalsContact O-CG 3.31Å; R274-L278 WeakPolarHBondContact O-CG 3.35Å; R274-L278 PolarHBondContact O-N 2.64Å
275K67.6Low61.2Low144 Ų144120.8 Ų120.863%0.62660%0.595SS**Hα-helixtrans-67.6-41.4175.1-96.4-178.1172.4178.80112E271 T272 Q277 L278 E279E271-K275 WeakPolarHBondContact O-CB 3.33Å; E271-K275 PolarHBondContact O-N 2.73Å; T272-K275 PolarHBondContact O-N 2.67Å; K275-Q277 VanDerWaalsContact C-N 3.33Å; K275-Q277 PolarHBondContact O-N 3.45Å; K275-L278 PolarHBondContact O-N 3.33Å; K275-L278 VanDerWaalsContact O-N 3.16Å; K275-E279 WeakPolarHBondContact O-CG 3.29Å; K275-E279 PolarHBondContact O-N 3.46Å
276E63.3Low59.7Low104 Ų104119.6 Ų119.649%0.48661%0.605SS.*Hα-helixtrans-64.8-37174.6-75-176.4178.900111.4T272 L278 E279 L280T272-E276 WeakPolarHBondContact O-CB 3.15Å; T272-E276 WeakPolarHBondContact O-CG 3.18Å; T272-E276 PolarHBondContact O-N 3.2Å; E276-L278 VanDerWaalsContact C-N 3.33Å; E276-L278 PolarHBondContact O-N 3.32Å; E276-E279 PolarHBondContact O-N 3.46Å; E276-L280 VanDerWaalsContact O-CB 3.23Å; E276-L280 WeakPolarHBondContact O-CB 3.25Å; E276-L280 WeakPolarHBondContact O-CD1 3.25Å; E276-L280 VanDerWaalsContact O-CG 3.25Å; E276-L280 WeakPolarHBondContact O-CG 3.36Å; E276-L280 PolarHBondContact O-N 3.26Å
277Q62Low58.3Low144 Ų144121.9 Ų121.967%0.67363%0.626SS**Hα-helixtrans-66.5-31.2172-78.6174.623.800113.4D273 R274 K275 G281D273-Q277 WeakPolarHBondContact O-CB 3.38Å; D273-Q277 VanDerWaalsContact O-CG 3.25Å; D273-Q277 WeakPolarHBondContact O-CG 3.23Å; D273-Q277 PolarHBondContact O-N 3.37Å; R274-Q277 PolarHBondContact O-N 3.17Å; K275-Q277 VanDerWaalsContact C-N 3.33Å; K275-Q277 PolarHBondContact O-N 3.45Å; Q277-G281 PolarHBondContact O-N 3.03Å
278L61.2Low56.3Low128 Ų128128.9 Ų128.967%0.6765%0.648SS**Hα-helixtrans-76.6-39.5174.6-72.9162.1000111.8R274 K275 E276 G281 D282R274-L278 WeakPolarHBondContact O-CD1 3.48Å; R274-L278 VanDerWaalsContact O-CG 3.31Å; R274-L278 WeakPolarHBondContact O-CG 3.35Å; R274-L278 PolarHBondContact O-N 2.64Å; K275-L278 PolarHBondContact O-N 3.33Å; K275-L278 VanDerWaalsContact O-N 3.16Å; E276-L278 VanDerWaalsContact C-N 3.33Å; E276-L278 PolarHBondContact O-N 3.32Å; L278-G281 PolarHBondContact O-N 2.99Å; L278-D282 PolarHBondContact O-N 3.49Å
279E60Low54.4Low136 Ų136133.4 Ų133.464%0.63667%0.67SS**Hα-helixtrans-73.4-30.3177-73-173.4174.700113.1K275 E276 G281 D282K275-E279 WeakPolarHBondContact O-CG 3.29Å; K275-E279 PolarHBondContact O-N 3.46Å; E276-E279 PolarHBondContact O-N 3.46Å; E279-G281 VanDerWaalsContact C-N 3.28Å; E279-D282 PolarHBondContact O-N 2.84Å
280L56.9Low52.5Low133 Ų133134.6 Ų134.670%0.69668%0.681SS**Hα-helixtrans-73.6-20.2169.8-75.5162000112.6E276E276-L280 VanDerWaalsContact O-CB 3.23Å; E276-L280 WeakPolarHBondContact O-CB 3.25Å; E276-L280 WeakPolarHBondContact O-CD1 3.25Å; E276-L280 VanDerWaalsContact O-CG 3.25Å; E276-L280 WeakPolarHBondContact O-CG 3.36Å; E276-L280 PolarHBondContact O-N 3.26Å
281G52Low50.4Low52 Ų52138.8 Ų138.854%0.53670%0.7SS.*Hα-helixtrans-77.2-21.7170.900000113.9Q277 L278 E279Q277-G281 PolarHBondContact O-N 3.03Å; L278-G281 PolarHBondContact O-N 2.99Å; E279-G281 VanDerWaalsContact C-N 3.28Å
282D48.6Very low48.4Very low143 Ų143141.6 Ų141.677%0.76571%0.713SS**SBendtrans-99.91.1-174.3-152.621.2000113.6L278 E279L278-D282 PolarHBondContact O-N 3.49Å; E279-D282 PolarHBondContact O-N 2.84Å
283R43.3Very low46.4Very low230 Ų230146.6 Ų146.687%0.86873%0.732SS**SBendtrans-103.611.2177-82.2-174.2164.1-174.9-1.6115.2
284S43.8Very low44.6Very low92 Ų92151.7 Ų151.764%0.64375%0.754SS**  trans-111.562.9167.865.30000111.6
285N37.1Very low42.6Very low166 Ų166151.2 Ų151.289%0.88876%0.763SS**  trans-150.8105.5152.7-100-17.5000110.4
286G30.8Very low40.8Very low66 Ų66153.7 Ų153.768%0.6878%0.777SS**  trans-126.1158.6161.700000108.5
287P38.6Very low39.1Very low133 Ų133157.2 Ų157.286%0.86479%0.794SS**  -89.7145.7-111.231.5-34.3000112.9
288K30.3Very low37.5Very low211 Ų211158.3 Ų158.392%0.91780%0.804SS**  trans-108135.3159.8-94.5-174.5174.2-175.30109.7
289E30.6Very low36.1Very low193 Ų193159.7 Ų159.790%0.90281%0.812SS**  trans-54.4148177.8-67.8166.7148.500111.7
290K27.9Very low34.6Very low205 Ų205158 Ų15889%0.89182%0.821SS**  trans-68125.8171.1-69.5177.6173.1-174.40109.4
291E29.1Very low33.2Very low196 Ų196155.2 Ų155.292%0.91683%0.825SS**  trans-136.7146.4139.9-75.3-169.5159.200108
292E28.3Very low32.3Very low188 Ų188161.7 Ų161.788%0.87984%0.841SS**  trans-77.3-175.7-162.2-66.1169.6153.700113.8
293E27.9Very low32.5Very low172 Ų172159.6 Ų159.680%0.80484%0.835SS**  trans100.598.4168.6-60.1-173.3-179.500113.6
294E27.6Very low31.7Very low182 Ų182155.7 Ų155.785%0.8583%0.832SS**  111.8134.566.9-97-169.7-17800107.3
295D28.1Very low30.9Very low157 Ų157158.2 Ų158.284%0.8484%0.838SS**  trans-61.9146.7-170.4-61.5-63.4000112.7
296E28.9Very low30.5Very low196 Ų196155.6 Ų155.692%0.91683%0.828SS**  -162.6131.1127.4-108.8176.2-164.900111.4
297E28.7Very low30.3Very low179 Ų179162.1 Ų162.184%0.83683%0.832SS**  trans-61.4147.8173.2-61177.9140.200110.5
298D28.1Very low29.9Very low166 Ų166162.2 Ų162.289%0.88882%0.821SS**  -166.6138.7116.3-102.5-30.1000114.7
299N30.9Very low29.7Very low158 Ų158158.3 Ų158.385%0.84582%0.815SS**  trans-89.2133.7-173.4-166-0.6000109.6
300A28.6Very low29.6Very low100 Ų100153 Ų15383%0.82680%0.804SS**  trans-87.9117.4174.100000110.8
301G28.5Very low29.6Very low74 Ų74151.1 Ų151.176%0.76380%0.798SS**  trans-142.9112.1163.400000110.5
302E33.3Very low29.6Very low189 Ų189148 Ų14888%0.88379%0.788SS**  trans-61.6179.4163-79.1-166155.700111.8
303P51.6Low29.6Very low98 Ų98145.5 Ų145.564%0.63679%0.786SS**  cis-135.2169.8-820.93.8000114
304N27.3Very low29.6Very low149 Ų149141.3 Ų141.380%0.79778%0.781SS**  157.6128.5122.3-98.2-31.6000115
305N27Very low30.3Very low144 Ų144138.8 Ų138.877%0.7778%0.78SS**  trans66.6132.3130.4-135.88.9000122.7
306T27.9Very low30.3Very low111 Ų111134.9 Ų134.968%0.68178%0.777SS**  trans97.2116.5143.4-9.60000120.9
307R27.5Very low30.3Very low203 Ų203134.5 Ų134.577%0.76678%0.775SS**  trans80.1128134.3-112.5-178.2170.9163-3.2122.2
308Q29.5Very low30.4Very low135 Ų135133.8 Ų133.863%0.63177%0.772SS**  94.6115.6128.9-103.4165.6-2.800120.4
309T26.9Very low30.5Very low130 Ų130132.1 Ų132.180%0.79877%0.773SS**  trans58.8143.4132480000118.8
310A28.3Very low30.6Very low82 Ų82133.4 Ų133.468%0.67877%0.771SS**  cis-168.1159.39.700000109.4
311E28Very low30.8Very low164 Ų164137.8 Ų137.877%0.76677%0.772SS**  trans53.9130.3136.4-74.4-173.5153.700125
312N29.1Very low30.9Very low132 Ų132143.9 Ų143.971%0.70678%0.777SS**  trans72.1141.5137.2-57.6-18.6000116.9
313T27.4Very low31.2Very low134 Ų134141.8 Ų141.882%0.82278%0.778SS**  cis-166.8151.827.1-360000108.4
314A28.8Very low30.4Very low85 Ų85142.5 Ų142.570%0.70279%0.785SS**  trans-77.9-165.8160.800000110.4
315P42.5Very low30.8Very low129 Ų129144 Ų14484%0.83878%0.784SS**  cis-138.2-176.3-12.436.9-16000114.8
316G27.3Very low31.2Very low75 Ų75145.7 Ų145.777%0.77379%0.792SS**  trans99.8148.2156.600000115.2
317E29.4Very low31.5Very low188 Ų188148.2 Ų148.288%0.87980%0.796SS**  cis-163.9175.8-0-140.4-178.7166.200107.8
318Q29.8Very low31.9Very low164 Ų164146.9 Ų146.977%0.76680%0.803SS**  trans-67.7149.1-159.7-58.9164.714.200116.1
319S32Very low32.1Very low130 Ų130149.4 Ų149.491%0.90981%0.812SS**  trans-161.2148139.2-910000114.6
320K32.8Very low32.6Very low186 Ų186155 Ų15581%0.80982%0.818SS**  trans-86.4158.8-158.6-71.5167.7172.7164.60114.7
321K32.4Very low32.9Very low192 Ų192159.7 Ų159.784%0.83582%0.823SS**  trans73115.6147.8-76.7171177.4-179.50118.6
322K31Very low33.4Very low202 Ų202160.7 Ų160.788%0.87883%0.828SS**  175.6136.9100-94.4174.3-175.7175.60111.2
323T39.7Very low33.5Very low145 Ų145164.8 Ų164.889%0.8983%0.833SS**  trans-63133.1167.648.80000111.2
324S33.9Very low34.1Very low112 Ų112164.7 Ų164.778%0.78383%0.832SS**  trans-150.1117.4162.1-178.40000110.5
325K36.6Very low34.4Very low182 Ų182165.8 Ų165.879%0.79183%0.826SS**  trans-68.5126173.5-70.5170.81751730109H327K325-H327 PolarHBondContact O-N 3.23Å
326L33.5Very low34.2Very low178 Ų178165.6 Ų165.693%0.93283%0.825SS**  trans-79.2102.5165.8-78.2165.6000108.9
327H35.7Very low34.6Very low165 Ų165170.5 Ų170.576%0.76483%0.833SS**  trans-74.4118.4167.4-83.4120.8000109.7K325 K329K325-H327 PolarHBondContact O-N 3.23Å; H327-K329 PolarHBondContact O-N 3.35Å
328L35.7Very low34.7Very low174 Ų174173.2 Ų173.291%0.91184%0.835SS**  trans-72.8108.1166.8-154.674.3000108.4R330L328-R330 PolarHBondContact O-N 3.16Å; L328-R330 VanDerWaalsContact O-N 3.1Å
329K34.4Very low35.2Very low189 Ų189169.7 Ų169.782%0.82283%0.834SS**  trans-70.1100.7178.1-79-177.8173.3177.50110.2H327 K331H327-K329 PolarHBondContact O-N 3.35Å; K329-K331 PolarHBondContact O-N 3.49Å
330R36.3Very low35.3Very low247 Ų247170.8 Ų170.893%0.93283%0.83SS**  trans-69.9110156.8-87.7179.6173.5160.8-2.2108.3L328L328-R330 PolarHBondContact O-N 3.16Å; L328-R330 VanDerWaalsContact O-N 3.1Å
331K35.6Very low35.5Very low180 Ų180169.8 Ų169.878%0.78383%0.833SS**  trans-89112.1161.8-70.8-174.3179.6-178.40107K329K329-K331 PolarHBondContact O-N 3.49Å
332H37.5Very low35.8Very low186 Ų186163.9 Ų163.986%0.86183%0.826SS**  trans167.291.2146.6-93.4-74.6000106.2
333R31.5Very low36.2Very low217 Ų217160.6 Ų160.682%0.81983%0.826SS**  trans-110120.9166.3177.9176.4170.2160.50.5105.4D335R333-D335 IonicContact CZ-OD1 3.73Å; R333-D335 IonicContact NE-OD1 2.94Å; R333-D335 PolarHBondContact NE-OD1 3.31Å; R333-D335 IonicContact NH2-OD1 3.52Å
334V39.5Very low36.1Very low133 Ų133160.3 Ų160.381%0.80682%0.824SS**PPolyproline II helixtrans-101.8118.9172.5-176.60000105.8
335D34.6Very low36.3Very low107 Ų107164.5 Ų164.557%0.57283%0.831SS**PPolyproline II helixtrans-84.1150172.2-73.4-41.4000109.9R333R333-D335 IonicContact CZ-OD1 3.73Å; R333-D335 IonicContact NE-OD1 2.94Å; R333-D335 PolarHBondContact NE-OD1 3.31Å; R333-D335 IonicContact NH2-OD1 3.52Å
336P39Very low36.3Very low125 Ų125161 Ų16181%0.81283%0.83SS**PPolyproline II helixtrans-86.1124.6-173.814.12000111.1
337L35.8Very low36.7Very low178 Ų178158.6 Ų158.693%0.93283%0.825SS**PPolyproline II helixtrans-90.4133.1171.8-74.9169.6000111.2
338R31.2Very low37.1Very low245 Ų245157.2 Ų157.293%0.92583%0.828SS**PPolyproline II helixtrans-69.4154.8173.4-82-178.1164.9173.3-4.7111.7
339A40.2Very low37.5Very low90 Ų90154 Ų15474%0.74482%0.817SS**PPolyproline II helixtrans-64.3135.3169.600000112.5
340D35.1Very low38.1Very low154 Ų154150.7 Ų150.782%0.82482%0.816SS**  -176.3160.3115.6-101-32.3000110.5
341D36Very low38.8Very low165 Ų165144.7 Ų144.788%0.88281%0.808SS**  trans97.2127.6172.9-62-31.4000119.9
342G39.3Very low39.3Very low67 Ų67141.4 Ų141.469%0.69181%0.806SS**  trans-85.2-164.6-156.300000118.6
343P39.8Very low39.5Very low134 Ų134138.4 Ų138.487%0.8780%0.802SS**  trans-89.8137-145.534.2-33.4000113.5
344T36.2Very low40.1Very low139 Ų139135.6 Ų135.685%0.85381%0.809SS**  trans-119123.616030.50000109
345E38.8Very low40.3Very low200 Ų200132.5 Ų132.594%0.93580%0.804SS**  trans-64.7144.3-179.2-65.6-176.8147.600112
346S37.5Very low40.5Very low108 Ų108139.2 Ų139.276%0.75582%0.821SS**  trans-135150.7163.548.50000109.6
347P41.5Very low40.4Very low128 Ų128138 Ų13883%0.83182%0.822SS**PPolyproline II helixtrans-83.5143.4-146.831-33.8000114.5
348T44.8Very low40.8Very low135 Ų135135.2 Ų135.283%0.82881%0.813SS**PPolyproline II helixtrans-68.9137.5178.6-33.70000112.2
349P43.3Very low41.1Very low106 Ų106129.5 Ų129.569%0.68881%0.807SS**PPolyproline II helixtrans-72.8157.4172.929-32.9000112.4
350P47.8Very low41.1Very low121 Ų121135 Ų13579%0.78681%0.814SS**PPolyproline II helixtrans-71.7152.6-174.229.4-34.3000112.8
351P50.3Low41.4Very low120 Ų120134.3 Ų134.378%0.77982%0.816SS**PPolyproline II helixtrans-76.7156.4-178.431.5-34.2000112.9
352P45.5Very low41.5Very low112 Ų112131.6 Ų131.673%0.72781%0.81SS**PPolyproline II helixtrans-75.2164.3-179.630.9-34.9000113.5
353P41.4Very low41.6Very low122 Ų122139.9 Ų139.979%0.79282%0.82SS**PPolyproline II helixtrans-68.3139.7-175.3-12.627.4000112.8G355P353-G355 PolarHBondContact O-N 2.88Å
354V44.6Very low41.8Very low158 Ų158141.3 Ų141.396%0.95882%0.819SS**THydrogen-bonded Turntrans-70.8119.4-177.2-1760000110.4
355G44Very low41.9Very low68 Ų68140.2 Ų140.270%0.70182%0.815SS**THydrogen-bonded Turntrans164.5-17.1172.300000116.9P353P353-G355 PolarHBondContact O-N 2.88Å
356W38.2Very low42Very low248 Ų248140.5 Ų140.594%0.93981%0.813SS**  trans-98.695.7178.8-70.569.2000110.5T358W356-T358 PolarHBondContact O-N 3.47Å
357A37.9Very low42.2Very low100 Ų100143.6 Ų143.683%0.82682%0.82SS**  trans-75.3107.717100000110
358T44.5Very low42.2Very low120 Ų120146 Ų14674%0.73682%0.82SS**PPolyproline II helixtrans-69.3133161.247.30000109.6W356 K360W356-T358 PolarHBondContact O-N 3.47Å; T358-K360 PolarHBondContact O-N 3.29Å
359P37.6Very low42.2Very low124 Ų124145.7 Ų145.781%0.80582%0.82SS**PPolyproline II helixtrans-63.2127.9173.923.5-29.4000110.3V361P359-V361 PolarHBondContact O-N 3.33Å
360K40.1Very low41.9Very low205 Ų205148.9 Ų148.989%0.89183%0.83SS**PPolyproline II helixtrans-63.8119.1-179.4-73.2175.1178.8170.90110.2T358 S362T358-K360 PolarHBondContact O-N 3.29Å; K360-S362 PolarHBondContact O-N 3.38Å; K360-S362 VanDerWaalsContact O-N 3.12Å
361V39.7Very low41.3Very low141 Ų141146.2 Ų146.286%0.85582%0.824SS**  trans-64.4106.7163.8179.30000108P359P359-V361 PolarHBondContact O-N 3.33Å
362S39.1Very low41Very low108 Ų108148.6 Ų148.676%0.75583%0.83SS**PPolyproline II helixtrans-70129.6168.343.10000109.3K360 L364K360-S362 PolarHBondContact O-N 3.38Å; K360-S362 VanDerWaalsContact O-N 3.12Å; S362-L364 PolarHBondContact O-N 3.35Å
363R41Very low40.5Very low241 Ų241148.9 Ų148.991%0.90984%0.835SS**PPolyproline II helixtrans-56.8125-178.6-67.7177.3179.1-165.6-1.1111
364L44Very low40.2Very low163 Ų163146.4 Ų146.485%0.85383%0.832SS**PPolyproline II helixtrans-60.9136.6159.2-74165000109.4S362S362-L364 PolarHBondContact O-N 3.35Å
365P38.4Very low39.7Very low116 Ų116148 Ų14875%0.75383%0.829SS**PPolyproline II helixtrans-65.3136.6174.4-17.530.3000111.3L367P365-L367 PolarHBondContact O-N 3.26Å
366K40.8Very low39.2Very low206 Ų206149.4 Ų149.490%0.89683%0.828SS**PPolyproline II helixtrans-64.2119.3175.4-74.2178175.6-179.90110.3
367L42.2Very low39.3Very low174 Ų174144.7 Ų144.791%0.91182%0.816SS**PPolyproline II helixtrans-76.1130166.4-69.3170.5000109.4P365P365-L367 PolarHBondContact O-N 3.26Å
368Q41.6Very low39Very low179 Ų179148.3 Ų148.384%0.83681%0.813SS**PPolyproline II helixtrans-77.5153.5176.4-72.2-178.6-0.200111.3
369P44.9Very low38.8Very low128 Ų128151.2 Ų151.283%0.83181%0.812SS**PPolyproline II helixtrans-83.8121.5179.921.5-8.9000110.5
370I36.4Very low39Very low173 Ų173153.3 Ų153.389%0.88781%0.809SS**  trans-91.5112.2168.7-79.5168.1000108
371G34.9Very low39Very low65 Ų65153.3 Ų153.367%0.6781%0.809SS**  trans-86.6162.5166.400000112.1
372D43.3Very low39.4Very low169 Ų169152.5 Ų152.590%0.90481%0.807SS**  trans-46.5137.7176-87.1-40.9000115.4
373S36.5Very low39.8Very low118 Ų118155.1 Ų155.183%0.82581%0.811SS**  trans-169.1118.8133.439.20000112.7
374G33.8Very low39.9Very low71 Ų71149 Ų14973%0.73280%0.803SS**  trans39.1122137.300000123.2
375H34.3Very low39.9Very low192 Ų192147.1 Ų147.189%0.88980%0.8SS**  24.4131.8125.5-90.1-84.8000118.4
376S34.8Very low40.1Very low97 Ų97149.8 Ų149.868%0.67881%0.807SS**  178.2157.452.443.80000112.5
377E38.7Very low40.1Very low148 Ų148144.5 Ų144.569%0.69280%0.802SS**  trans62.9107.2146.8-67.1-98137.200119.4
378F32.7Very low40.1Very low176 Ų176143.8 Ų143.877%0.77280%0.799SS**  trans-164.5107.4131.1-123.1-132.4000112.5
379Y40.8Very low40Very low181 Ų181146.6 Ų146.671%0.7180%0.802SS**  trans70.1100.2167.9-62.1-74.7000119.2
380K40Very low39.8Very low169 Ų169146.1 Ų146.174%0.73580%0.799SS**  53.194.568.2-62.2-177179.3172.20114
381K41.8Very low40.2Very low204 Ų204148.8 Ų148.889%0.88780%0.798SS**  trans-149.2144143.9-100.3175.4-172.8177.90110.2
382P46.4Very low40.8Very low125 Ų125151.7 Ų151.781%0.81281%0.805SS**PPolyproline II helixtrans-80.6150.5-167.7-1.620.1000112.3
383L47.9Very low40.6Very low163 Ų163151.3 Ų151.385%0.85380%0.803SS**PPolyproline II helixtrans-65.4144.7169.2-68.7165.9000110.6
384P42.7Very low40.5Very low112 Ų112148.8 Ų148.873%0.72780%0.796SS**PPolyproline II helixtrans-68.1146.8177.728.3-32.6000111.1
385P44.8Very low40.9Very low124 Ų124153 Ų15381%0.80580%0.801SS**PPolyproline II helixtrans-71138.7-176.927.7-31.6000111.5A387P385-A387 PolarHBondContact O-N 3.1Å; P385-A387 VanDerWaalsContact O-N 3.08Å
386L43.5Very low41.2Very low171 Ų171149.8 Ų149.890%0.89580%0.8SS**  trans-61.2106.9166.9-76.2161.8000108.9N388L386-N388 PolarHBondContact O-N 3.28Å; L386-N388 VanDerWaalsContact O-N 3.11Å
387A40.1Very low41.7Very low96 Ų96153.5 Ų153.579%0.79381%0.807SS**  trans-70.7104170.200000109.1P385 R389P385-A387 PolarHBondContact O-N 3.1Å; P385-A387 VanDerWaalsContact O-N 3.08Å; A387-R389 PolarHBondContact O-N 3.24Å
388N41.3Very low42.1Very low158 Ų158153.7 Ų153.785%0.84581%0.813SS**PPolyproline II helixtrans-53.3116.8162.1-81-28.5000109.1L386L386-N388 PolarHBondContact O-N 3.28Å; L386-N388 VanDerWaalsContact O-N 3.11Å
389R39.3Very low42.7Very low238 Ų238151.4 Ų151.490%0.89881%0.813SS**PPolyproline II helixtrans-79.4146.6162.9-86.2-171.2177.8-171.10.4110.3A387A387-R389 PolarHBondContact O-N 3.24Å
390P41.1Very low42.8Very low118 Ų118150.3 Ų150.377%0.76682%0.817SS**PPolyproline II helixtrans-80.8140.1-159.5-6.325.2000111.6
391R45.4Very low43.2Very low230 Ų230151.2 Ų151.287%0.86885%0.845SS**PPolyproline II helixtrans-65.8137.8153.7-65.1-179.8-176.8-1760.1108.3
392P48.4Very low43.3Very low125 Ų125148.6 Ų148.681%0.81284%0.843SS**PPolyproline II helixtrans-79.5121.3154.915.6-1.1000109.1
393N38.1Very low43.2Very low162 Ų162149.8 Ų149.887%0.86685%0.845SS**PPolyproline II helixtrans-55.5155.4150.7-65.1-21.8000108.1
394G35.6Very low42.9Very low65 Ų65149.1 Ų149.167%0.6784%0.844SS**  cis152.9136.916.600000105.8
395D41.9Very low42.9Very low160 Ų160151.2 Ų151.286%0.85685%0.851SS**  trans36122.3156.5-58.8-26.9000121.8
396S40.1Very low42.8Very low124 Ų124152.9 Ų152.987%0.86785%0.854SS**  trans-144.4113.7138.9-470000108.4
397Q45.9Very low42.7Very low175 Ų175151.7 Ų151.782%0.81885%0.851SS**  trans-65.2150.1159.6-70.4176.6-3900109.8
398D46.2Very low42.9Very low152 Ų152155.7 Ų155.781%0.81386%0.855SS**  trans169.4105.4142.1-82.9-22.8000105.8
399V45.3Very low43.1Very low127 Ų127155.5 Ų155.577%0.7786%0.856SS**  54.7141.977.8-171.80000113.2
400I43.5Very low43.4Very low158 Ų158148.7 Ų148.781%0.8185%0.853SS**  trans99.8118175.6-50.9160.6000111.2
401S49Very low43.6Very low188 Ų188151.5 Ų151.5100%1.31586%0.86SS**  cis-160.603.1-1180000108.5

Retrieved 401 of 401 residues in 640.5 ms (Link to these results)

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