A0A096NGQ2_PAPAN Loading...

E3 ubiquitin-protein ligase NEURL3

AlphaFold DB , UniProt , Accession A0A096NGQ2, Species PAPAN (Papio anubis, Olive baboon), Gene NEURL3, Length 262 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
1M37.5Very low36.5Very low250 Ų250144.6 Ų144.6100%1.23285%0.851SS**  091.10-65.1-161.3-7600106.5
2G32.6Very low37.7Very low76 Ų76144.2 Ų144.278%0.78483%0.831SS**  109.474.458.900000106.6Q4G2-Q4 PolarHBondContact O-N 3.48Å
3A37.1Very low38.3Very low101 Ų101138.6 Ų138.684%0.83581%0.813SS**  trans-65.8125.6176.600000109.4
4Q35Very low39.3Very low183 Ų183138.2 Ų138.286%0.85582%0.816SS**  trans-106.293.4175.5-155.7140.90.400109.1G2 C6G2-Q4 PolarHBondContact O-N 3.48Å; Q4-C6 PolarHBondContact O-N 3.36Å
5L39.2Very low41.4Very low148 Ų148135.9 Ų135.978%0.77579%0.788SS**  trans-65112.8163-70.8161.4000107.9F7L5-F7 PolarHBondContact O-N 3.32Å
6C31.4Very low44.1Very low124 Ų124133.6 Ų133.684%0.83877%0.767SS**  trans-81.1104.2166.9-71.70000108.5Q4Q4-C6 PolarHBondContact O-N 3.36Å
7F35Very low46.8Very low192 Ų192127.3 Ų127.384%0.84274%0.735SS**  trans-62.2144170.9-99.9-98.1000111.4L5L5-F7 PolarHBondContact O-N 3.32Å
8E45.3Very low49.4Very low181 Ų181120.9 Ų120.985%0.84670%0.698SS**  trans-55.5142-178.2-59.1176.3132.800113.8
9A32.7Very low51.9Low99 Ų99119.4 Ų119.482%0.81868%0.68SS**  trans-139.469.7148.500000108.8A11A9-A11 PolarHBondContact O-N 2.92Å
10N37.2Very low54.3Low143 Ų143113.7 Ų113.777%0.76565%0.647SS**  trans-76.971.5168.5-167.96.6000109.6K12N10-K12 VanDerWaalsContact C-N 3.27Å; N10-K12 PolarHBondContact O-N 3.03Å
11A38.8Very low56.3Low94 Ų94109.6 Ų109.678%0.77762%0.622SS**  trans-68.890.2164.200000107.8A9 A13A9-A11 PolarHBondContact O-N 2.92Å; A11-A13 PolarHBondContact O-N 2.95Å
12K50.4Low59.1Low139 Ų139101 Ų10160%0.60459%0.591SS**  trans-57.1110.2-179.3-163.5175.1-169.8169.80109.4N10N10-K12 VanDerWaalsContact C-N 3.27Å; N10-K12 PolarHBondContact O-N 3.03Å
13A45.1Very low62.1Low72 Ų72104.4 Ų104.460%0.59559%0.586SS**PPolyproline II helixtrans-49150.2178.100000112A11 R15A11-A13 PolarHBondContact O-N 2.95Å; A13-R15 PolarHBondContact O-N 3.41Å
14P53.3Low65Low133 Ų13399.9 Ų99.986%0.86455%0.548SS*.PPolyproline II helixtrans-53.7132.6178.6-17.226.4000110.3E16P14-E16 PolarHBondContact O-N 3.32Å
15R71Confident67.9Low103 Ų10393.4 Ų93.439%0.38952%0.517SS..PPolyproline II helixtrans-71.2128.3-177-61.8171.6102.8170.50.8108.2A13 A17 E59A13-R15 PolarHBondContact O-N 3.41Å; R15-A17 PolarHBondContact O-N 3.23Å; R15-E59 IonicContact CZ-OE2 3.68Å; R15-E59 IonicContact NE-OE2 2.92Å; R15-E59 IonicContact NH2-OE2 2.89Å; R15-E59 PolarHBondContact NH2-OE2 3.24Å
16E83.8Confident70.7Confident99 Ų9986.7 Ų86.746%0.46348%0.483SS..PPolyproline II helixtrans-58.2127.4169.3-168.3-171.1176.500109.7P14 R19 R53P14-E16 PolarHBondContact O-N 3.32Å; E16-R19 IonicContact OE1-CZ 3.58Å; E16-R19 VanDerWaalsContact OE1-CZ 3.24Å; E16-R19 IonicContact OE1-NH1 3.46Å; E16-R19 PolarHBondContact OE1-NH1 3.14Å; E16-R19 IonicContact OE1-NH2 2.71Å; E16-R19 PolarHBondContact OE1-NH2 2.87Å; E16-R53 PolarHBondContact O-NE 3Å; E16-R53 VanDerWaalsContact O-NE 3.14Å; E16-R53 PolarHBondContact O-NH2 3.4Å
17A90Very high73.7Confident27 Ų2784.4 Ų84.422%0.22347%0.474CS..PPolyproline II helixtrans-56.5139.9177.100000111R15 Q52 D172R15-A17 PolarHBondContact O-N 3.23Å; A17-Q52 PolarHBondContact O-NE2 2.62Å; A17-D172 HydrophobicContact CB-CB 3.98Å
18L94.6Very high76.6Confident12 Ų1277.4 Ų77.46%0.06344%0.444CS..PPolyproline II helixtrans-71.7137.3179-151.471.7000109.9R53 V55 V61 L170L18-R53 HydrophobicContact CD1-CG 3.81Å; L18-V55 HydrophobicContact CD1-CG2 4.1Å; L18-V55 HydrophobicContact CD2-CG2 4.15Å; L18-V61 HydrophobicContact CD2-CB 4.43Å; L18-V61 HydrophobicContact CD2-CG1 3.78Å; L18-V61 HydrophobicContact CD2-CG2 4.06Å; L18-L170 HydrophobicContact CB-CD2 4.46Å; L18-L170 HydrophobicContact CD2-CD2 3.89Å; L18-L170 HydrophobicContact CG-CD1 4.45Å; L18-L170 HydrophobicContact CG-CD2 4.48Å
19R96.9Very high79.1Confident92 Ų9268.9 Ų68.935%0.34740%0.404SS..  trans-133.2165.5175.8-62.8-168.2-69-76.94.8108.6E16 R34 G35 S51 Q52E16-R19 IonicContact OE1-CZ 3.58Å; E16-R19 VanDerWaalsContact OE1-CZ 3.24Å; E16-R19 IonicContact OE1-NH1 3.46Å; E16-R19 PolarHBondContact OE1-NH1 3.14Å; E16-R19 IonicContact OE1-NH2 2.71Å; E16-R19 PolarHBondContact OE1-NH2 2.87Å; R19-R34 WeakPolarHBondContact CD-O 3.43Å; R19-G35 CarbonylContact C-O 3.49Å; R19-G35 WeakPolarHBondContact CA-O 3.06Å; R19-G35 WeakPolarHBondContact CB-O 3.42Å; R19-S51 CarbonylContact O-C 3.59Å; R19-S51 WeakPolarHBondContact O-CA 3.5Å; R19-Q52 HydrophobicContact CB-CG 4.36Å; R19-Q52 PolarHBondContact O-N 3.25Å; R19-Q52 PolarHBondContact O-OE1 2.95Å
20F98.3Very high82.2Confident6 Ų670.1 Ų70.13%0.02639%0.387CS..EExtended strand (participates in β ladder)trans-73.5143.6168.7-61.8-68.7000109.8A22 L31 G35 C36 A38 V49 F50 M159 I168 L170F20-A22 PolarHBondContact O-N 3.22Å; F20-L31 HydrophobicContact CB-CD1 3.79Å; F20-L31 HydrophobicContact CB-CD2 3.77Å; F20-L31 HydrophobicContact CB-CG 4.42Å; F20-L31 HydrophobicContact CD2-CD2 3.95Å; F20-L31 HydrophobicContact CG-CD2 3.98Å; F20-G35 WeakPolarHBondContact CD2-O 3.49Å; F20-G35 PolarHBondContact N-O 3.26Å; F20-C36 VanDerWaalsContact CE2-O 3.22Å; F20-C36 WeakPolarHBondContact CE2-O 3Å; F20-A38 HydrophobicContact CD1-CB 4.42Å; F20-A38 HydrophobicContact CD2-CB 3.9Å; F20-A38 HydrophobicContact CE1-CB 4.14Å; F20-A38 HydrophobicContact CE2-CB 3.61Å; F20-A38 HydrophobicContact CG-CB 4.31Å; F20-A38 HydrophobicContact CZ-CB 3.76Å; F20-V49 HydrophobicContact CD1-CB 3.87Å; F20-V49 HydrophobicContact CD1-CG2 3.74Å; F20-V49 HydrophobicContact CE1-CB 4.25Å; F20-V49 HydrophobicContact CE1-CG2 3.61Å; F20-F50 CarbonylContact C-O 3.43Å; F20-F50 VanDerWaalsContact CA-O 3.31Å; F20-F50 WeakPolarHBondContact CA-O 3.49Å; F20-M159 HydrophobicContact CD1-CE 3.9Å; F20-M159 HydrophobicContact CE1-CE 3.37Å; F20-M159 HydrophobicContact CZ-CE 4.42Å; F20-I168 HydrophobicContact CE1-CD1 4.07Å; F20-I168 HydrophobicContact CZ-CD1 3.89Å; F20-I168 HydrophobicContact CZ-CG1 3.89Å; F20-L170 HydrophobicContact CD1-CD1 3.68Å; F20-L170 HydrophobicContact CD1-CG 4.46Å; F20-L170 HydrophobicContact CD2-CD1 4.06Å; F20-L170 HydrophobicContact CE1-CD1 3.65Å; F20-L170 HydrophobicContact CE1-CG 3.95Å; F20-L170 HydrophobicContact CE2-CB 4.35Å; F20-L170 HydrophobicContact CE2-CD1 4.01Å; F20-L170 HydrophobicContact CE2-CG 4.08Å; F20-L170 HydrophobicContact CG-CD1 3.89Å; F20-L170 HydrophobicContact CZ-CB 4.4Å; F20-L170 HydrophobicContact CZ-CD1 3.8Å; F20-L170 HydrophobicContact CZ-CG 3.71Å
21H97.8Very high85.1Confident27 Ų2765.2 Ų65.213%0.12536%0.361CS..EExtended strand (participates in β ladder)trans-63.5129.4172.2-169.7-89.8000109.6E23 T24 L31 F50 P85H21-E23 PolarHBondContact ND1-N 2.76Å; H21-E23 PolarHBondContact O-N 2.98Å; H21-T24 PolarHBondContact CE1-OG1 3.05Å; H21-T24 WeakPolarHBondContact ND1-CB 3.42Å; H21-T24 PolarHBondContact ND1-N 2.87Å; H21-T24 VanDerWaalsContact ND1-N 3.17Å; H21-T24 PolarHBondContact ND1-OG1 3.3Å; H21-L31 WeakPolarHBondContact O-CD1 3.38Å; H21-F50 HydrophobicContact CB-CB 4.33Å; H21-F50 PolarHBondContact N-O 2.71Å; H21-P85 HydrophobicContact CB-CB 4.05Å
22A96.4Very high87.8Confident69 Ų6963.1 Ų63.157%0.5734%0.337SS*.EExtended strand (participates in β ladder)trans-69.6-36.6-166.300000113.2F20 K25F20-A22 PolarHBondContact O-N 3.22Å; A22-K25 PolarHBondContact O-NZ 2.77Å
23E95.4Very high89.9Confident149 Ų14963.7 Ų63.770%0.69635%0.352SS*.EExtended strand (participates in β ladder)trans-98.7-60.2-170.2-64.8178.2-17600111.1H21 K25H21-E23 PolarHBondContact ND1-N 2.76Å; H21-E23 PolarHBondContact O-N 2.98Å; E23-K25 PolarHBondContact O-N 3.34Å; E23-K25 VanDerWaalsContact O-N 3.1Å; E23-K25 PolarHBondContact O-NZ 3.41Å
24T96.9Very high92.3Very high5 Ų568.4 Ų68.43%0.03135%0.354CS..EExtended strand (participates in β ladder)trans-69.397179.4-45.30000113.1H21 F50 P85 V88 L93H21-T24 PolarHBondContact CE1-OG1 3.05Å; H21-T24 WeakPolarHBondContact ND1-CB 3.42Å; H21-T24 PolarHBondContact ND1-N 2.87Å; H21-T24 VanDerWaalsContact ND1-N 3.17Å; H21-T24 PolarHBondContact ND1-OG1 3.3Å; T24-F50 HydrophobicContact CG2-CD2 3.94Å; T24-F50 HydrophobicContact CG2-CE2 3.88Å; T24-F50 WeakPolarHBondContact O-CD2 3.29Å; T24-P85 WeakPolarHBondContact CB-O 3.5Å; T24-P85 HydrophobicContact CG2-CB 4.26Å; T24-P85 PolarHBondContact OG1-O 2.81Å; T24-V88 HydrophobicContact CG2-CB 3.76Å; T24-V88 HydrophobicContact CG2-CG1 3.84Å; T24-L93 HydrophobicContact CG2-CD1 4.2Å
25K97.3Very high94.3Very high48 Ų4862.7 Ų62.721%0.20932%0.32CS..EExtended strand (participates in β ladder)trans-158.3159.717764.5-163.4171.6-67.40109.5A22 E23 V29 L31 I48 V49A22-K25 PolarHBondContact O-NZ 2.77Å; E23-K25 PolarHBondContact O-N 3.34Å; E23-K25 VanDerWaalsContact O-N 3.1Å; E23-K25 PolarHBondContact O-NZ 3.41Å; K25-V29 HydrophobicContact CB-CB 4.18Å; K25-V29 HydrophobicContact CB-CG1 4.33Å; K25-V29 HydrophobicContact CD-CB 4.26Å; K25-V29 HydrophobicContact CD-CG1 4.08Å; K25-V29 HydrophobicContact CG-CB 4.18Å; K25-V29 HydrophobicContact CG-CG1 4.44Å; K25-L31 HydrophobicContact CD-CD1 3.89Å; K25-L31 HydrophobicContact CD-CD2 4.48Å; K25-L31 HydrophobicContact CD-CG 3.83Å; K25-I48 CarbonylContact C-O 3.59Å; K25-I48 VanDerWaalsContact CA-O 3.32Å; K25-I48 WeakPolarHBondContact CA-O 3.37Å; K25-V49 HydrophobicContact CB-CG1 4.25Å
26G96.8Very high95.5Very high6 Ų658.2 Ų58.26%0.06230%0.304CS..  trans-62.9153.4177.500000112.7Q28 V29 D46 I48G26-Q28 PolarHBondContact O-N 3.22Å; G26-Q28 VanDerWaalsContact O-N 3.16Å; G26-V29 WeakPolarHBondContact O-CB 3.47Å; G26-V29 PolarHBondContact O-N 3.07Å; G26-D46 CarbonylContact C-O 3.59Å; G26-D46 VanDerWaalsContact C-O 3.26Å; G26-D46 VanDerWaalsContact CA-O 3.25Å; G26-D46 WeakPolarHBondContact CA-O 3.1Å; G26-I48 PolarHBondContact N-O 2.8Å
27A95.1Very high96.2Very high77 Ų7754.8 Ų54.864%0.63629%0.29SS*.THydrogen-bonded Turntrans-60.8-27.5-172.200000113.9V29 D46A27-V29 VanDerWaalsContact C-N 3.35Å; A27-D46 HydrophobicContact CB-CB 4.28Å
28Q95.9Very high96.6Very high44 Ų4453.5 Ų53.521%0.20628%0.28CS..THydrogen-bonded Turntrans-84.9-7.7177.7-66.3-62.2-31.100113.1G26 R40 R41 A42 D46G26-Q28 PolarHBondContact O-N 3.22Å; G26-Q28 VanDerWaalsContact O-N 3.16Å; Q28-R40 HydrophobicContact CB-CG 3.82Å; Q28-R40 CarbonylContact O-C 3.41Å; Q28-R40 WeakPolarHBondContact O-CA 3.3Å; Q28-R41 PolarHBondContact O-N 3.17Å; Q28-A42 VanDerWaalsContact OE1-N 3.07Å; Q28-D46 HydrophobicContact CB-CB 4.25Å; Q28-D46 HydrophobicContact CG-CB 3.96Å; Q28-D46 PolarHBondContact N-O 3.04Å
29V97.4Very high96.7Very high3 Ų355.7 Ų55.72%0.01829%0.289CS..EExtended strand (participates in β ladder)trans-83.9132.1-176.1-178.10000111.5K25 G26 A27 L31 A38 H39 V49K25-V29 HydrophobicContact CB-CB 4.18Å; K25-V29 HydrophobicContact CB-CG1 4.33Å; K25-V29 HydrophobicContact CD-CB 4.26Å; K25-V29 HydrophobicContact CD-CG1 4.08Å; K25-V29 HydrophobicContact CG-CB 4.18Å; K25-V29 HydrophobicContact CG-CG1 4.44Å; G26-V29 WeakPolarHBondContact O-CB 3.47Å; G26-V29 PolarHBondContact O-N 3.07Å; A27-V29 VanDerWaalsContact C-N 3.35Å; V29-L31 HydrophobicContact CG1-CD2 3.8Å; V29-L31 HydrophobicContact CG1-CG 4.44Å; V29-A38 HydrophobicContact CG1-CB 4.13Å; V29-H39 WeakPolarHBondContact CA-O 3.37Å; V29-V49 HydrophobicContact CB-CG1 4.24Å; V29-V49 HydrophobicContact CG1-CG1 3.58Å; V29-V49 HydrophobicContact CG2-CG1 3.85Å
30R97.6Very high96.6Very high124 Ų12451.3 Ų51.347%0.46827%0.273SS..EExtended strand (participates in β ladder)trans-116.6136.7159.8-63.1-60.4169.5132.9-7.4110.5H39 R41R30-H39 PolarHBondContact N-O 2.99Å; R30-H39 PolarHBondContact O-N 2.73Å; R30-R41 HydrophobicContact CG-CG 3.84Å; R30-R41 VanDerWaalsContact CZ-NH1 3.35Å; R30-R41 VanDerWaalsContact NE-CZ 3.25Å
31L98.1Very high96.4Very high41 Ų4157.4 Ų57.422%0.21530%0.296CS..EExtended strand (participates in β ladder)trans-98.8151.5173.6-55.1-179.4000109.5F20 H21 K25 V29 T37 A38F20-L31 HydrophobicContact CB-CD1 3.79Å; F20-L31 HydrophobicContact CB-CD2 3.77Å; F20-L31 HydrophobicContact CB-CG 4.42Å; F20-L31 HydrophobicContact CD2-CD2 3.95Å; F20-L31 HydrophobicContact CG-CD2 3.98Å; H21-L31 WeakPolarHBondContact O-CD1 3.38Å; K25-L31 HydrophobicContact CD-CD1 3.89Å; K25-L31 HydrophobicContact CD-CD2 4.48Å; K25-L31 HydrophobicContact CD-CG 3.83Å; V29-L31 HydrophobicContact CG1-CD2 3.8Å; V29-L31 HydrophobicContact CG1-CG 4.44Å; L31-T37 VanDerWaalsContact CA-O 3.23Å; L31-T37 WeakPolarHBondContact CA-O 3.42Å; L31-A38 HydrophobicContact CD2-CB 3.59Å
32D96.8Very high95.7Very high50 Ų5058.1 Ų58.127%0.26731%0.306SS..  trans-72.1172166.877.5-41000111.3R34 G35 C36 T37D32-R34 PolarHBondContact O-N 2.94Å; D32-R34 WeakPolarHBondContact OD2-CB 3.31Å; D32-R34 PolarHBondContact OD2-N 2.89Å; D32-G35 PolarHBondContact O-N 3.44Å; D32-G35 WeakPolarHBondContact OD1-CA 3.38Å; D32-G35 PolarHBondContact OD1-N 2.92Å; D32-C36 PolarHBondContact OD1-N 2.82Å; D32-C36 PolarHBondContact OD2-SG 2.73Å; D32-C36 VanDerWaalsContact OD2-SG 3.38Å; D32-T37 PolarHBondContact N-O 3.02Å; D32-T37 PolarHBondContact OD1-N 2.66Å
33T94.5Very high95Very high150 Ų15057.1 Ų57.192%0.9229%0.293SS*.THydrogen-bonded Turntrans-62.8-28-178.5510000113.1G35T33-G35 VanDerWaalsContact C-N 3.32Å
34R93.9Very high94.2Very high171 Ų17153.6 Ų53.665%0.64528%0.275SS*.THydrogen-bonded Turntrans-86-6.9177.9-59.5168.961.4-152.9-2.6112.3R19 D32 C36R19-R34 WeakPolarHBondContact CD-O 3.43Å; D32-R34 PolarHBondContact O-N 2.94Å; D32-R34 WeakPolarHBondContact OD2-CB 3.31Å; D32-R34 PolarHBondContact OD2-N 2.89Å; R34-C36 PolarHBondContact O-N 3.3Å
35G96.1Very high93.6Very high13 Ų1355.8 Ų55.813%0.13429%0.285CS..SBendtrans61.320.9-175.200000113.7R19 F20 D32 T33R19-G35 CarbonylContact C-O 3.49Å; R19-G35 WeakPolarHBondContact CA-O 3.06Å; R19-G35 WeakPolarHBondContact CB-O 3.42Å; F20-G35 WeakPolarHBondContact CD2-O 3.49Å; F20-G35 PolarHBondContact N-O 3.26Å; D32-G35 PolarHBondContact O-N 3.44Å; D32-G35 WeakPolarHBondContact OD1-CA 3.38Å; D32-G35 PolarHBondContact OD1-N 2.92Å; T33-G35 VanDerWaalsContact C-N 3.32Å
36C96.6Very high93.4Very high10 Ų1055.1 Ų55.17%0.06828%0.284CS..  trans-101.7-11.1178600000112.9F20 D32 R34 E169 L170F20-C36 VanDerWaalsContact CE2-O 3.22Å; F20-C36 WeakPolarHBondContact CE2-O 3Å; D32-C36 PolarHBondContact OD1-N 2.82Å; D32-C36 PolarHBondContact OD2-SG 2.73Å; D32-C36 VanDerWaalsContact OD2-SG 3.38Å; R34-C36 PolarHBondContact O-N 3.3Å; C36-E169 CarbonylContact O-C 3.55Å; C36-E169 VanDerWaalsContact O-CA 3.22Å; C36-E169 WeakPolarHBondContact O-CA 3.5Å; C36-L170 PolarHBondContact O-N 3.19Å
37T98.2Very high93.3Very high27 Ų2754.9 Ų54.917%0.16628%0.281CS..EExtended strand (participates in β ladder)trans-121131.2177.1-56.90000110.1L31 D32 L66 T167 I168L31-T37 VanDerWaalsContact CA-O 3.23Å; L31-T37 WeakPolarHBondContact CA-O 3.42Å; D32-T37 PolarHBondContact N-O 3.02Å; D32-T37 PolarHBondContact OD1-N 2.66Å; T37-L66 HydrophobicContact CG2-CD1 3.98Å; T37-T167 HydrophobicContact CG2-CG2 3.61Å; T37-I168 WeakPolarHBondContact CA-O 2.98Å
38A98.3Very high93.5Very high0 Ų051.2 Ų51.20%025%0.251CS..EExtended strand (participates in β ladder)trans-116.5126.9174.100000109.9F20 V29 L31 V49 V161 T167 I168F20-A38 HydrophobicContact CD1-CB 4.42Å; F20-A38 HydrophobicContact CD2-CB 3.9Å; F20-A38 HydrophobicContact CE1-CB 4.14Å; F20-A38 HydrophobicContact CE2-CB 3.61Å; F20-A38 HydrophobicContact CG-CB 4.31Å; F20-A38 HydrophobicContact CZ-CB 3.76Å; V29-A38 HydrophobicContact CG1-CB 4.13Å; L31-A38 HydrophobicContact CD2-CB 3.59Å; A38-V49 HydrophobicContact CB-CG1 4.08Å; A38-V161 HydrophobicContact CB-CG2 4.43Å; A38-T167 WeakPolarHBondContact O-CA 3.48Å; A38-T167 WeakPolarHBondContact O-CG2 3.19Å; A38-I168 HydrophobicContact CB-CG1 4.13Å; A38-I168 PolarHBondContact N-O 2.85Å; A38-I168 PolarHBondContact O-N 2.77Å
39H97Very high93.6Very high58 Ų5849.1 Ų49.127%0.26924%0.241SC..EExtended strand (participates in β ladder)trans-124.6126.7180159.6-91.3000110.2V29 R30 K166 T167V29-H39 WeakPolarHBondContact CA-O 3.37Å; R30-H39 PolarHBondContact N-O 2.99Å; R30-H39 PolarHBondContact O-N 2.73Å; H39-K166 WeakPolarHBondContact CA-O 3.33Å; H39-T167 HydrophobicContact CB-CG2 4.17Å; H39-T167 PolarHBondContact CD2-OG1 2.92Å
40R95.4Very high93.7Very high0 Ų049 Ų490%024%0.241CC..EExtended strand (participates in β ladder)trans-82.6120.7172.5-176.517654.875.1-9.4109.5Q28 A42 T43 E69 V161 G163 K166Q28-R40 HydrophobicContact CB-CG 3.82Å; Q28-R40 CarbonylContact O-C 3.41Å; Q28-R40 WeakPolarHBondContact O-CA 3.3Å; R40-A42 WeakPolarHBondContact CG-O 3.48Å; R40-A42 PolarHBondContact NH1-O 2.84Å; R40-T43 PolarHBondContact NH1-O 3.02Å; R40-E69 IonicContact NH1-OE2 3.75Å; R40-E69 IonicContact NH2-OE2 3.43Å; R40-E69 PolarHBondContact NH2-OE2 3.35Å; R40-V161 HydrophobicContact CB-CB 4.28Å; R40-V161 HydrophobicContact CB-CG1 3.79Å; R40-V161 WeakPolarHBondContact CD-O 3.34Å; R40-V161 PolarHBondContact NE-O 2.96Å; R40-G163 PolarHBondContact NH2-O 2.96Å; R40-K166 PolarHBondContact N-O 3.31Å; R40-K166 VanDerWaalsContact O-CD 3.26Å; R40-K166 WeakPolarHBondContact O-CD 3.29Å; R40-K166 WeakPolarHBondContact O-CE 3.2Å; R40-K166 PolarHBondContact O-NZ 2.9Å
41R93.3Very high93.7Very high134 Ų13443.1 Ų43.151%0.50622%0.218SC..  trans-67.3-59.2-176-77-170.8162.7-170.44.2113.2Q28 R30 K166Q28-R41 PolarHBondContact O-N 3.17Å; R30-R41 HydrophobicContact CG-CG 3.84Å; R30-R41 VanDerWaalsContact CZ-NH1 3.35Å; R30-R41 VanDerWaalsContact NE-CZ 3.25Å; R41-K166 PolarHBondContact O-NZ 3.38Å; R41-K166 VanDerWaalsContact O-NZ 3.12Å
42A83.3Confident93.6Very high42 Ų4243.2 Ų43.235%0.34722%0.218SC..SBendtrans-136.4-178.1-175.100000111.3Q28 R40Q28-A42 VanDerWaalsContact OE1-N 3.07Å; R40-A42 WeakPolarHBondContact CG-O 3.48Å; R40-A42 PolarHBondContact NH1-O 2.84Å
43T82.1Confident93.6Very high47 Ų4742.5 Ų42.529%0.28821%0.211SC..SBendtrans61.6-142.1173.778.20000114.2R40 H45 W72R40-T43 PolarHBondContact NH1-O 3.02Å; T43-H45 PolarHBondContact OG1-N 3.13Å; T43-W72 VanDerWaalsContact O-CZ2 3.26Å; T43-W72 WeakPolarHBondContact O-CZ2 3.08Å; T43-W72 PolarHBondContact O-NE1 2.88Å
44F77.8Confident93.7Very high75 Ų7538 Ų3833%0.32918%0.184SC..SBendtrans-143.43.5174.560.5-86.5000112.3W72 F96 Y162F44-W72 HydrophobicContact CB-CD2 3.84Å; F44-W72 HydrophobicContact CB-CE3 3.66Å; F44-W72 HydrophobicContact CB-CG 4.42Å; F44-W72 HydrophobicContact CB-CH2 4.37Å; F44-W72 HydrophobicContact CB-CZ3 3.96Å; F44-W72 AromaticContact CD1-CE3 3.8Å; F44-W72 HydrophobicContact CD1-CE3 3.8Å; F44-W72 AromaticContact CD1-CH2 3.6Å; F44-W72 HydrophobicContact CD1-CH2 3.6Å; F44-W72 HydrophobicContact CD1-CZ2 4.44Å; F44-W72 AromaticContact CD1-CZ3 3.22Å; F44-W72 HydrophobicContact CD1-CZ3 3.22Å; F44-W72 HydrophobicContact CE1-CH2 4.4Å; F44-W72 AromaticContact CE1-CZ3 3.96Å; F44-W72 HydrophobicContact CE1-CZ3 3.96Å; F44-W72 AromaticContact CG-CE3 3.94Å; F44-W72 HydrophobicContact CG-CE3 3.94Å; F44-W72 HydrophobicContact CG-CH2 4.42Å; F44-W72 AromaticContact CG-CZ3 3.86Å; F44-W72 HydrophobicContact CG-CZ3 3.86Å; F44-F96 HydrophobicContact CD2-CE1 4.22Å; F44-F96 HydrophobicContact CD2-CZ 4.29Å; F44-F96 HydrophobicContact CE2-CE1 4.25Å; F44-F96 AromaticContact CE2-CZ 3.85Å; F44-F96 HydrophobicContact CE2-CZ 3.85Å; F44-Y162 HydrophobicContact CD2-CE2 4.07Å; F44-Y162 WeakPolarHBondContact O-CD2 3.46Å; F44-Y162 WeakPolarHBondContact O-CE2 3.45Å
45H85.3Confident93.8Very high51 Ų5130.2 Ų30.224%0.23616%0.156CC..SBendtrans-132.5-178.1-173.664.586000110.9T43 G47 P95 F96T43-H45 PolarHBondContact OG1-N 3.13Å; H45-G47 PolarHBondContact O-N 2.9Å; H45-P95 HydrophobicContact CB-CB 4.04Å; H45-F96 HydrophobicContact CB-CD1 4.05Å; H45-F96 HydrophobicContact CB-CE1 3.22Å; H45-F96 HydrophobicContact CB-CZ 3.52Å
46D91.3Very high93.7Very high35 Ų3535.3 Ų35.319%0.18717%0.171CC..  trans56.536.8-174-46-33.7000112.3G26 A27 Q28 P95G26-D46 CarbonylContact C-O 3.59Å; G26-D46 VanDerWaalsContact C-O 3.26Å; G26-D46 VanDerWaalsContact CA-O 3.25Å; G26-D46 WeakPolarHBondContact CA-O 3.1Å; A27-D46 HydrophobicContact CB-CB 4.28Å; Q28-D46 HydrophobicContact CB-CB 4.25Å; Q28-D46 HydrophobicContact CG-CB 3.96Å; Q28-D46 PolarHBondContact N-O 3.04Å; D46-P95 PolarHBondContact N-O 3.16Å; D46-P95 VanDerWaalsContact OD1-CA 3.28Å; D46-P95 WeakPolarHBondContact OD1-CA 3.14Å; D46-P95 WeakPolarHBondContact OD1-CB 3.34Å
47G96.2Very high93.5Very high0 Ų038.7 Ų38.70%019%0.188CC..  trans-96.27-176.500000114.6H45 V161H45-G47 PolarHBondContact O-N 2.9Å; G47-V161 PolarHBondContact O-N 3.26Å
48I98.2Very high93.1Very high0 Ų039.5 Ų39.50%020%0.201CC..EExtended strand (participates in β ladder)trans-67.8133.1-171-50.1-169.2000111.3K25 G26 F50 P94 V97 L101 V158 M159K25-I48 CarbonylContact C-O 3.59Å; K25-I48 VanDerWaalsContact CA-O 3.32Å; K25-I48 WeakPolarHBondContact CA-O 3.37Å; G26-I48 PolarHBondContact N-O 2.8Å; I48-F50 HydrophobicContact CG2-CD2 4.47Å; I48-F50 HydrophobicContact CG2-CE1 4.41Å; I48-F50 HydrophobicContact CG2-CE2 3.66Å; I48-F50 HydrophobicContact CG2-CZ 3.63Å; I48-P94 HydrophobicContact CD1-CG 4.31Å; I48-P94 WeakPolarHBondContact CD1-O 3.28Å; I48-V97 HydrophobicContact CB-CG2 4.27Å; I48-V97 HydrophobicContact CD1-CG2 3.88Å; I48-V97 HydrophobicContact CG1-CG2 3.8Å; I48-V97 HydrophobicContact CG2-CG2 3.8Å; I48-L101 HydrophobicContact CD1-CD2 4.31Å; I48-L101 HydrophobicContact CG2-CD2 4.31Å; I48-V158 HydrophobicContact CG2-CG2 3.97Å; I48-M159 CarbonylContact C-O 3.59Å; I48-M159 WeakPolarHBondContact CA-O 3.47Å
49V98.5Very high92.9Very high1 Ų140.4 Ų40.41%0.00621%0.206CC..EExtended strand (participates in β ladder)trans-138.5152.8173.3-64.80000111F20 K25 V29 A38 V158 M159 I168F20-V49 HydrophobicContact CD1-CB 3.87Å; F20-V49 HydrophobicContact CD1-CG2 3.74Å; F20-V49 HydrophobicContact CE1-CB 4.25Å; F20-V49 HydrophobicContact CE1-CG2 3.61Å; K25-V49 HydrophobicContact CB-CG1 4.25Å; V29-V49 HydrophobicContact CB-CG1 4.24Å; V29-V49 HydrophobicContact CG1-CG1 3.58Å; V29-V49 HydrophobicContact CG2-CG1 3.85Å; A38-V49 HydrophobicContact CB-CG1 4.08Å; V49-V158 WeakPolarHBondContact O-CA 3.31Å; V49-M159 HydrophobicContact CG2-CB 3.78Å; V49-M159 HydrophobicContact CG2-CE 4.14Å; V49-M159 PolarHBondContact N-O 3.1Å; V49-M159 PolarHBondContact O-N 3.09Å; V49-I168 HydrophobicContact CG2-CD1 4.42Å
50F98.6Very high92.8Very high1 Ų144.4 Ų44.40%0.00422%0.219CC..EExtended strand (participates in β ladder)trans-122.9157.1179.5-56.4-91.3000111F20 H21 T24 I48 T81 P85 L93 L101 A157 V158F20-F50 CarbonylContact C-O 3.43Å; F20-F50 VanDerWaalsContact CA-O 3.31Å; F20-F50 WeakPolarHBondContact CA-O 3.49Å; H21-F50 HydrophobicContact CB-CB 4.33Å; H21-F50 PolarHBondContact N-O 2.71Å; T24-F50 HydrophobicContact CG2-CD2 3.94Å; T24-F50 HydrophobicContact CG2-CE2 3.88Å; T24-F50 WeakPolarHBondContact O-CD2 3.29Å; I48-F50 HydrophobicContact CG2-CD2 4.47Å; I48-F50 HydrophobicContact CG2-CE1 4.41Å; I48-F50 HydrophobicContact CG2-CE2 3.66Å; I48-F50 HydrophobicContact CG2-CZ 3.63Å; F50-T81 HydrophobicContact CD1-CG2 3.85Å; F50-T81 HydrophobicContact CE1-CG2 3.89Å; F50-P85 HydrophobicContact CB-CB 3.93Å; F50-P85 HydrophobicContact CB-CG 3.44Å; F50-P85 VanDerWaalsContact CB-CG 3.44Å; F50-P85 HydrophobicContact CD1-CG 4.19Å; F50-P85 HydrophobicContact CD2-CB 4.49Å; F50-P85 HydrophobicContact CG-CB 4.19Å; F50-P85 HydrophobicContact CG-CG 3.85Å; F50-L93 HydrophobicContact CE2-CD1 4.28Å; F50-L93 HydrophobicContact CE2-CD2 3.8Å; F50-L93 HydrophobicContact CZ-CD2 3.82Å; F50-L101 HydrophobicContact CE1-CD2 4.16Å; F50-L101 HydrophobicContact CZ-CD2 3.98Å; F50-A157 CarbonylContact C-O 3.58Å; F50-A157 VanDerWaalsContact CA-O 3.26Å; F50-A157 WeakPolarHBondContact CA-O 3.42Å; F50-V158 HydrophobicContact CD1-CB 3.93Å; F50-V158 HydrophobicContact CD1-CG2 3.81Å; F50-V158 HydrophobicContact CE1-CB 4.02Å; F50-V158 HydrophobicContact CE1-CG2 3.53Å; F50-V158 HydrophobicContact CZ-CG2 4.15Å
51S98.3Very high92.9Very high0 Ų044.5 Ų44.50%022%0.219CC..EExtended strand (participates in β ladder)trans-68.8149.1165.956.70000111.4R19 R53 A157R19-S51 CarbonylContact O-C 3.59Å; R19-S51 WeakPolarHBondContact O-CA 3.5Å; S51-R53 PolarHBondContact O-N 3.45Å; S51-R53 PolarHBondContact OG-O 2.96Å; S51-A157 PolarHBondContact N-O 3.35Å; S51-A157 PolarHBondContact OG-N 2.86Å
52Q97.1Very high93.1Very high42 Ų4238.6 Ų38.620%0.19620%0.198CC..SBendtrans-71.8-17.4-179.694.3-77.427.800113.7A17 R19A17-Q52 PolarHBondContact O-NE2 2.62Å; R19-Q52 HydrophobicContact CB-CG 4.36Å; R19-Q52 PolarHBondContact O-N 3.25Å; R19-Q52 PolarHBondContact O-OE1 2.95Å
53R96.1Very high93.8Very high36 Ų3636.6 Ų36.614%0.13618%0.181CC..SBendtrans-138.7164.9179.764.9163.7178.874.60.6111.5E16 L18 S51 E59 W156E16-R53 PolarHBondContact O-NE 3Å; E16-R53 VanDerWaalsContact O-NE 3.14Å; E16-R53 PolarHBondContact O-NH2 3.4Å; L18-R53 HydrophobicContact CD1-CG 3.81Å; S51-R53 PolarHBondContact O-N 3.45Å; S51-R53 PolarHBondContact OG-O 2.96Å; R53-E59 IonicContact CZ-OE1 3.81Å; R53-E59 IonicContact NH1-OE1 3.27Å; R53-E59 PolarHBondContact NH1-OE1 3.1Å; R53-E59 IonicContact NH1-OE2 3.85Å; R53-E59 IonicContact NH2-OE1 3.8Å; R53-E59 PolarHBondContact NH2-OE1 2.98Å; R53-W156 VanDerWaalsContact C-CD1 3.4Å
54P97.1Very high94.5Very high54 Ų5439.1 Ų39.135%0.35119%0.185SC..PPolyproline II helixtrans-57.2144.2167.5-23.331.4000112.7P154 L155 W156P54-P154 HydrophobicContact CB-CB 4.04Å; P54-P154 HydrophobicContact CG-CB 4.09Å; P54-L155 CarbonylContact C-O 3.53Å; P54-L155 VanDerWaalsContact CA-O 3.3Å; P54-L155 WeakPolarHBondContact CA-O 3.48Å; P54-W156 HydrophobicContact CG-CD2 4.26Å; P54-W156 HydrophobicContact CG-CH2 4.01Å; P54-W156 HydrophobicContact CG-CZ2 3.53Å
55V95.9Very high95.4Very high9 Ų935.6 Ų35.66%0.05517%0.17CC..BIsolated β-bridgetrans-101.3129.4174.3-178.70000108.6L18 E59 V61 F80 L155 A157L18-V55 HydrophobicContact CD1-CG2 4.1Å; L18-V55 HydrophobicContact CD2-CG2 4.15Å; V55-E59 HydrophobicContact CG1-CB 3.74Å; V55-E59 HydrophobicContact CG1-CG 4.01Å; V55-V61 HydrophobicContact CG1-CG2 3.93Å; V55-V61 HydrophobicContact CG2-CG2 4.08Å; V55-F80 HydrophobicContact CB-CE1 3.94Å; V55-F80 HydrophobicContact CG1-CE1 3.9Å; V55-F80 HydrophobicContact CG2-CE1 4.37Å; V55-L155 PolarHBondContact N-O 3.17Å; V55-A157 HydrophobicContact CG2-CB 4Å
56R93.1Very high95.9Very high120 Ų12036.3 Ų36.345%0.45318%0.175SC..PPolyproline II helixtrans-72.6152179.4-60.9-174.9-179.186.2-8110.6G58 E59R56-G58 PolarHBondContact O-N 3.05Å; R56-E59 HydrophobicContact CB-CB 4.2Å; R56-E59 WeakPolarHBondContact CB-OE2 3.21Å; R56-E59 PolarHBondContact N-OE2 3.23Å; R56-E59 IonicContact NH1-OE2 2.73Å; R56-E59 WeakPolarHBondContact O-CB 3.31Å; R56-E59 PolarHBondContact O-N 3.16Å
57L92.3Very high96Very high81 Ų8141.9 Ų41.942%0.42419%0.194SC..THydrogen-bonded Turntrans-54.4131.8171.4-64.6174000110.9E59 V127 V151 L155L57-E59 PolarHBondContact O-N 2.78Å; L57-V127 HydrophobicContact CD2-CG1 4.1Å; L57-V151 HydrophobicContact CD1-CB 3.98Å; L57-V151 HydrophobicContact CD1-CG1 4.27Å; L57-V151 HydrophobicContact CD2-CB 4.15Å; L57-V151 HydrophobicContact CD2-CG1 3.69Å; L57-L155 HydrophobicContact CD2-CD1 4.36Å
58G90.8Very high95.7Very high43 Ų4345 Ų4544%0.44321%0.209SC..THydrogen-bonded Turntrans72.7-3.9-175.200000115.9R56 R60 V127R56-G58 PolarHBondContact O-N 3.05Å; G58-R60 PolarHBondContact O-N 2.79Å; G58-V127 WeakPolarHBondContact CA-O 3.25Å; G58-V127 PolarHBondContact N-O 3.38Å
59E93.8Very high95Very high19 Ų1948.1 Ų48.19%0.08922%0.223CC..PPolyproline II helixtrans-67.6127.6169.8-174.4175.1152.300109.2R15 R53 V55 R56 L57 W126R15-E59 IonicContact CZ-OE2 3.68Å; R15-E59 IonicContact NE-OE2 2.92Å; R15-E59 IonicContact NH2-OE2 2.89Å; R15-E59 PolarHBondContact NH2-OE2 3.24Å; R53-E59 IonicContact CZ-OE1 3.81Å; R53-E59 IonicContact NH1-OE1 3.27Å; R53-E59 PolarHBondContact NH1-OE1 3.1Å; R53-E59 IonicContact NH1-OE2 3.85Å; R53-E59 IonicContact NH2-OE1 3.8Å; R53-E59 PolarHBondContact NH2-OE1 2.98Å; V55-E59 HydrophobicContact CG1-CB 3.74Å; V55-E59 HydrophobicContact CG1-CG 4.01Å; R56-E59 HydrophobicContact CB-CB 4.2Å; R56-E59 WeakPolarHBondContact CB-OE2 3.21Å; R56-E59 PolarHBondContact N-OE2 3.23Å; R56-E59 IonicContact NH1-OE2 2.73Å; R56-E59 WeakPolarHBondContact O-CB 3.31Å; R56-E59 PolarHBondContact O-N 3.16Å; L57-E59 PolarHBondContact O-N 2.78Å; E59-W126 WeakPolarHBondContact O-CB 3.39Å
60R95.2Very high94Very high143 Ų14353.6 Ų53.654%0.5426%0.261SS..PPolyproline II helixtrans-85.2118.1179-63-176.6-176.2169.92109G58 V62 W126G58-R60 PolarHBondContact O-N 2.79Å; R60-V62 HydrophobicContact CB-CG2 4.35Å; R60-W126 HydrophobicContact CG-CB 4.43Å; R60-W126 HydrophobicContact CG-CD2 4.42Å; R60-W126 HydrophobicContact CG-CE3 4.21Å
61V97.5Very high92.6Very high2 Ų257.3 Ų57.31%0.01230%0.3CS..EExtended strand (participates in β ladder)trans-78.2123.9164.9-174.70000106.9L18 V55 F80 R124 F125 A157 L170L18-V61 HydrophobicContact CD2-CB 4.43Å; L18-V61 HydrophobicContact CD2-CG1 3.78Å; L18-V61 HydrophobicContact CD2-CG2 4.06Å; V55-V61 HydrophobicContact CG1-CG2 3.93Å; V55-V61 HydrophobicContact CG2-CG2 4.08Å; V61-F80 HydrophobicContact CG2-CE1 4.27Å; V61-F80 HydrophobicContact CG2-CZ 4.18Å; V61-R124 VanDerWaalsContact O-CA 3.28Å; V61-R124 WeakPolarHBondContact O-CA 3.49Å; V61-F125 HydrophobicContact CB-CD1 3.97Å; V61-F125 HydrophobicContact CB-CD2 4.35Å; V61-F125 HydrophobicContact CB-CE1 3.48Å; V61-F125 VanDerWaalsContact CB-CE1 3.48Å; V61-F125 HydrophobicContact CB-CE2 3.91Å; V61-F125 HydrophobicContact CB-CG 4.37Å; V61-F125 HydrophobicContact CB-CZ 3.46Å; V61-F125 VanDerWaalsContact CB-CZ 3.46Å; V61-F125 HydrophobicContact CG1-CD1 4.28Å; V61-F125 HydrophobicContact CG1-CE1 3.37Å; V61-F125 HydrophobicContact CG1-CE2 4.31Å; V61-F125 HydrophobicContact CG1-CZ 3.4Å; V61-F125 HydrophobicContact CG2-CE1 4.39Å; V61-F125 HydrophobicContact CG2-CE2 3.96Å; V61-F125 HydrophobicContact CG2-CZ 3.88Å; V61-F125 PolarHBondContact N-O 2.86Å; V61-F125 PolarHBondContact O-N 2.76Å; V61-A157 HydrophobicContact CG1-CB 4.36Å; V61-A157 HydrophobicContact CG2-CB 3.88Å; V61-L170 HydrophobicContact CG1-CD2 3.64Å
62V97.4Very high91.7Very high10 Ų1061.6 Ų61.66%0.06132%0.316CS..EExtended strand (participates in β ladder)trans-115119.4-173.1-170.70000108.7R60 V122 V123 R124 L171 P173R60-V62 HydrophobicContact CB-CG2 4.35Å; V62-V122 HydrophobicContact CG1-CG1 3.43Å; V62-V122 VanDerWaalsContact CG1-CG1 3.43Å; V62-V123 CarbonylContact C-O 3.6Å; V62-V123 WeakPolarHBondContact CA-O 3.09Å; V62-R124 HydrophobicContact CB-CG 4.43Å; V62-R124 HydrophobicContact CG1-CG 4.02Å; V62-R124 HydrophobicContact CG2-CG 4.08Å; V62-L171 HydrophobicContact CB-CB 4.16Å; V62-L171 HydrophobicContact CG1-CB 3.94Å; V62-L171 HydrophobicContact CG1-CD1 3.96Å; V62-L171 HydrophobicContact CG1-CG 4.34Å; V62-L171 PolarHBondContact O-N 3.16Å; V62-P173 HydrophobicContact CG2-CG 4.18Å
63L97.7Very high90.5Very high0 Ų064.6 Ų64.60%034%0.341CS..EExtended strand (participates in β ladder)trans-117.2143.4179.4-58.8173.2000110.2L76 V78 V122 V123 F125 M159 I168 E169 L170L63-L76 HydrophobicContact CD1-CD2 4Å; L63-V78 HydrophobicContact CD1-CG1 4.16Å; L63-V122 CarbonylContact O-C 3.44Å; L63-V122 VanDerWaalsContact O-CA 3.22Å; L63-V122 WeakPolarHBondContact O-CA 3.38Å; L63-V123 HydrophobicContact CB-CB 4.39Å; L63-V123 PolarHBondContact N-O 2.8Å; L63-V123 PolarHBondContact O-N 2.75Å; L63-F125 HydrophobicContact CD1-CD1 4.3Å; L63-F125 HydrophobicContact CD1-CE1 3.68Å; L63-F125 HydrophobicContact CG-CE1 4.1Å; L63-M159 HydrophobicContact CD1-CG 3.92Å; L63-M159 HydrophobicContact CD2-CE 4.3Å; L63-I168 HydrophobicContact CD1-CD1 4.45Å; L63-I168 HydrophobicContact CD2-CD1 4.38Å; L63-E169 CarbonylContact C-O 3.53Å; L63-E169 WeakPolarHBondContact CA-O 3.4Å; L63-L170 HydrophobicContact CD2-CD2 3.47Å; L63-L170 VanDerWaalsContact CD2-CD2 3.47Å; L63-L170 HydrophobicContact CD2-CG 3.75Å
64R97.4Very high89.5Confident99 Ų9964 Ų6437%0.37435%0.345SS..EExtended strand (participates in β ladder)trans-109.8134.7162.9-177.8-179.1-76.1159.3-7.5109.6L66 D121 I168 E169 L171R64-L66 HydrophobicContact CB-CD2 4.48Å; R64-L66 HydrophobicContact CG-CD2 3.87Å; R64-D121 WeakPolarHBondContact CA-O 3.2Å; R64-I168 CarbonylContact O-C 3.49Å; R64-I168 WeakPolarHBondContact O-CA 3.41Å; R64-E169 HydrophobicContact CB-CB 4.42Å; R64-E169 PolarHBondContact N-O 2.94Å; R64-E169 IonicContact NH1-OE2 3.33Å; R64-E169 PolarHBondContact O-N 2.95Å; R64-L171 HydrophobicContact CB-CD1 4.14Å; R64-L171 HydrophobicContact CB-CD2 4.33Å; R64-L171 HydrophobicContact CB-CG 4.27Å
65L96Very high88.9Confident1 Ų162 Ų621%0.00534%0.335CS..EExtended strand (participates in β ladder)trans-81.6125170.5-81.167.6000108.6L76 A117 L118 G120 D121 V123L65-L76 HydrophobicContact CD1-CD2 4.04Å; L65-A117 HydrophobicContact CD1-CB 4.11Å; L65-A117 HydrophobicContact CD2-CB 3.63Å; L65-L118 WeakPolarHBondContact CB-O 3.41Å; L65-G120 PolarHBondContact O-N 2.96Å; L65-D121 PolarHBondContact N-O 2.99Å; L65-V123 HydrophobicContact CD1-CG2 3.52Å
66L95.2Very high88.8Confident66 Ų6661.7 Ų61.735%0.34633%0.333SS..EExtended strand (participates in β ladder)trans-107.5-28.1-176.2-63.6-174.4000113.2T37 R64 V119 T167 E169T37-L66 HydrophobicContact CG2-CD1 3.98Å; R64-L66 HydrophobicContact CB-CD2 4.48Å; R64-L66 HydrophobicContact CG-CD2 3.87Å; L66-V119 WeakPolarHBondContact O-CG1 3.44Å; L66-T167 HydrophobicContact CB-CG2 3.89Å; L66-T167 HydrophobicContact CD1-CG2 4.05Å; L66-T167 HydrophobicContact CG-CG2 4.45Å; L66-T167 PolarHBondContact N-O 3.02Å; L66-E169 HydrophobicContact CD1-CB 3.75Å; L66-E169 HydrophobicContact CD2-CB 4.47Å; L66-E169 HydrophobicContact CG-CB 4.06Å
67R92.8Very high88.9Confident152 Ų15257.3 Ų57.357%0.57432%0.317SS*.EExtended strand (participates in β ladder)trans-153.4142.9-177.8-169.8179.4-65.6-147.2-0.2111.4K166 T167R67-K166 HydrophobicContact CB-CB 4.16Å; R67-K166 HydrophobicContact CG-CB 4.08Å; R67-K166 HydrophobicContact CG-CG 4.39Å; R67-K166 WeakPolarHBondContact O-CB 3.42Å; R67-K166 PolarHBondContact O-N 2.95Å; R67-T167 PolarHBondContact N-O 2.89Å; R67-T167 PolarHBondContact O-N 3.16Å; R67-T167 VanDerWaalsContact O-N 3.14Å
68E90.4Very high89.2Confident67 Ų6753.4 Ų53.431%0.31330%0.296SS..EExtended strand (participates in β ladder)trans-119.9159.4169.6-73.3170.8170.800111L118 V119 T164E68-L118 WeakPolarHBondContact OE1-CA 3.37Å; E68-V119 HydrophobicContact CB-CG2 3.84Å; E68-V119 HydrophobicContact CG-CG2 3.57Å; E68-T164 CarbonylContact C-O 3.49Å; E68-T164 WeakPolarHBondContact CA-O 3.35Å; E68-T164 WeakPolarHBondContact CB-O 3.25Å
69E83.9Confident89.6Confident64 Ų6451.4 Ų51.430%0.29928%0.275SS..  trans-127.3122.5176.5-176.7171.6-127.700108.8R40 W72 T164 K166R40-E69 IonicContact NH1-OE2 3.75Å; R40-E69 IonicContact NH2-OE2 3.43Å; R40-E69 PolarHBondContact NH2-OE2 3.35Å; E69-W72 PolarHBondContact OE2-NE1 3.17Å; E69-T164 PolarHBondContact N-O 3.02Å; E69-K166 HydrophobicContact CB-CB 4.38Å; E69-K166 HydrophobicContact CB-CD 4.19Å; E69-K166 VanDerWaalsContact CD-NZ 3.31Å; E69-K166 IonicContact OE1-NZ 3.26Å; E69-K166 PolarHBondContact OE1-NZ 2.98Å; E69-K166 VanDerWaalsContact OE1-NZ 3.15Å; E69-K166 WeakPolarHBondContact OE2-CD 3.45Å; E69-K166 WeakPolarHBondContact OE2-CE 3.49Å; E69-K166 IonicContact OE2-NZ 2.94Å; E69-K166 PolarHBondContact OE2-NZ 2.95Å
70S77.3Confident89.8Confident116 Ų11650.7 Ų50.781%0.81127%0.272SS*.THydrogen-bonded Turntrans-74159.1175.555.30000111.2
71G70.3Confident89.9Confident80 Ų8043.9 Ų43.983%0.82525%0.246SC*.THydrogen-bonded Turntrans90.61-179.400000114.8
72W78.1Confident89.9Confident90 Ų9048.1 Ų48.134%0.34126%0.262SS..  trans-115.1154.6171.8-57.7114.1000111.4T43 F44 E69 T164T43-W72 VanDerWaalsContact O-CZ2 3.26Å; T43-W72 WeakPolarHBondContact O-CZ2 3.08Å; T43-W72 PolarHBondContact O-NE1 2.88Å; F44-W72 HydrophobicContact CB-CD2 3.84Å; F44-W72 HydrophobicContact CB-CE3 3.66Å; F44-W72 HydrophobicContact CB-CG 4.42Å; F44-W72 HydrophobicContact CB-CH2 4.37Å; F44-W72 HydrophobicContact CB-CZ3 3.96Å; F44-W72 AromaticContact CD1-CE3 3.8Å; F44-W72 HydrophobicContact CD1-CE3 3.8Å; F44-W72 AromaticContact CD1-CH2 3.6Å; F44-W72 HydrophobicContact CD1-CH2 3.6Å; F44-W72 HydrophobicContact CD1-CZ2 4.44Å; F44-W72 AromaticContact CD1-CZ3 3.22Å; F44-W72 HydrophobicContact CD1-CZ3 3.22Å; F44-W72 HydrophobicContact CE1-CH2 4.4Å; F44-W72 AromaticContact CE1-CZ3 3.96Å; F44-W72 HydrophobicContact CE1-CZ3 3.96Å; F44-W72 AromaticContact CG-CE3 3.94Å; F44-W72 HydrophobicContact CG-CE3 3.94Å; F44-W72 HydrophobicContact CG-CH2 4.42Å; F44-W72 AromaticContact CG-CZ3 3.86Å; F44-W72 HydrophobicContact CG-CZ3 3.86Å; E69-W72 PolarHBondContact OE2-NE1 3.17Å; W72-T164 WeakPolarHBondContact O-CG2 3.25Å
73C71.2Confident89.9Confident104 Ų10449.6 Ų49.670%0.70327%0.269SS*.  trans-109.2148.2174-62.90000111.4
74G75.1Confident89.8Confident23 Ų2352.4 Ų52.424%0.23729%0.285CS..  trans85.6172.4-178.600000113.6T164G74-T164 PolarHBondContact O-N 3.23Å; G74-T164 PolarHBondContact O-OG1 3.22Å
75G85.4Confident89.8Confident13 Ų1347.7 Ų47.713%0.13427%0.267CS..  trans-141.7-173.4-170.400000114.4R77G75-R77 PolarHBondContact O-N 3.12Å
76L93.9Very high89.8Confident3 Ų351.1 Ų51.12%0.01630%0.295CS..  trans-48128.6-180177.462.7000112L63 L65 V78 L112 V123 M159 D160 T165 I168L63-L76 HydrophobicContact CD1-CD2 4Å; L65-L76 HydrophobicContact CD1-CD2 4.04Å; L76-V78 HydrophobicContact CD1-CG1 4.4Å; L76-V78 HydrophobicContact CD2-CG1 4.11Å; L76-V78 HydrophobicContact CG-CG1 3.92Å; L76-L112 HydrophobicContact CB-CD1 4.09Å; L76-L112 HydrophobicContact CD2-CD1 3.84Å; L76-L112 HydrophobicContact CG-CD1 4.1Å; L76-L112 WeakPolarHBondContact O-CB 3.45Å; L76-L112 WeakPolarHBondContact O-CG 3.26Å; L76-L112 PolarHBondContact O-N 3.41Å; L76-V123 HydrophobicContact CD2-CG2 4.49Å; L76-M159 HydrophobicContact CD1-CB 4.48Å; L76-D160 WeakPolarHBondContact CD1-O 3.49Å; L76-T165 HydrophobicContact CB-CG2 4.2Å; L76-T165 PolarHBondContact N-OG1 2.82Å; L76-I168 HydrophobicContact CD1-CD1 4.22Å; L76-I168 HydrophobicContact CD1-CG2 4.18Å; L76-I168 HydrophobicContact CD2-CG2 4.23Å
77R96.3Very high89.7Confident27 Ų2753.2 Ų53.210%0.10231%0.314CS..EExtended strand (participates in β ladder)trans-104.3139.9171.3-48.2169.3177.6157.2-13109G75 F96 C98 A110 V111 M159 D160 Y162G75-R77 PolarHBondContact O-N 3.12Å; R77-F96 VanDerWaalsContact NH1-CD1 3.31Å; R77-C98 PolarHBondContact NH1-O 3.23Å; R77-A110 CarbonylContact C-O 3.58Å; R77-A110 VanDerWaalsContact CA-O 3.29Å; R77-A110 WeakPolarHBondContact CA-O 3.47Å; R77-V111 HydrophobicContact CG-CB 4.14Å; R77-V111 HydrophobicContact CG-CG2 4.21Å; R77-M159 CarbonylContact O-C 3.54Å; R77-M159 VanDerWaalsContact O-CA 3.29Å; R77-M159 WeakPolarHBondContact O-CA 3.4Å; R77-D160 HydrophobicContact CB-CB 3.78Å; R77-D160 HydrophobicContact CG-CB 4.14Å; R77-D160 IonicContact CZ-OD2 3.15Å; R77-D160 PolarHBondContact N-O 3.38Å; R77-D160 IonicContact NH1-OD2 2.77Å; R77-D160 PolarHBondContact NH1-OD2 2.98Å; R77-D160 PolarHBondContact O-N 2.88Å; R77-Y162 VanDerWaalsContact NH2-CZ 3.26Å
78V98.1Very high89.7Confident0 Ų047.1 Ų47.10%029%0.294CS..EExtended strand (participates in β ladder)trans-136148.7-178.6-59.30000110.5L63 L76 A109 A110 L112 F125 L145 M159L63-V78 HydrophobicContact CD1-CG1 4.16Å; L76-V78 HydrophobicContact CD1-CG1 4.4Å; L76-V78 HydrophobicContact CD2-CG1 4.11Å; L76-V78 HydrophobicContact CG-CG1 3.92Å; V78-A109 WeakPolarHBondContact O-CA 3.45Å; V78-A110 PolarHBondContact N-O 2.87Å; V78-A110 PolarHBondContact O-N 2.91Å; V78-L112 HydrophobicContact CG2-CD2 3.93Å; V78-L112 HydrophobicContact CG2-CG 4.37Å; V78-F125 HydrophobicContact CB-CD1 3.96Å; V78-F125 HydrophobicContact CB-CD2 4.15Å; V78-F125 HydrophobicContact CB-CE1 4.07Å; V78-F125 HydrophobicContact CB-CE2 4.26Å; V78-F125 HydrophobicContact CB-CG 3.99Å; V78-F125 HydrophobicContact CB-CZ 4.21Å; V78-F125 HydrophobicContact CG1-CD1 3.99Å; V78-F125 HydrophobicContact CG1-CE1 4Å; V78-F125 HydrophobicContact CG2-CB 4.13Å; V78-F125 HydrophobicContact CG2-CD1 4.28Å; V78-F125 HydrophobicContact CG2-CD2 4.37Å; V78-F125 HydrophobicContact CG2-CG 4.01Å; V78-L145 HydrophobicContact CG2-CD1 3.53Å; V78-M159 HydrophobicContact CG1-CG 4.18Å
79G98.2Very high89.7Confident0 Ų047.3 Ų47.30%030%0.302CS..EExtended strand (participates in β ladder)trans-177.4-165.5-177.800000113.7W108 F125 V158G79-W108 CarbonylContact C-O 3.26Å; G79-W108 WeakPolarHBondContact CA-O 3.36Å; G79-F125 WeakPolarHBondContact O-CE2 3.29Å; G79-V158 PolarHBondContact N-O 3Å; G79-V158 PolarHBondContact O-N 3Å
80F98.6Very high89.8Confident4 Ų447.3 Ų47.32%0.01831%0.306CS..EExtended strand (participates in β ladder)trans-134.9150176.2-67.3-89.9000110.9V55 V61 W108 F125 V127 L133 L155 W156 A157V55-F80 HydrophobicContact CB-CE1 3.94Å; V55-F80 HydrophobicContact CG1-CE1 3.9Å; V55-F80 HydrophobicContact CG2-CE1 4.37Å; V61-F80 HydrophobicContact CG2-CE1 4.27Å; V61-F80 HydrophobicContact CG2-CZ 4.18Å; F80-W108 PolarHBondContact N-O 2.97Å; F80-W108 PolarHBondContact O-N 3.15Å; F80-F125 HydrophobicContact CD2-CD2 4.48Å; F80-F125 HydrophobicContact CD2-CE2 4.48Å; F80-F125 HydrophobicContact CE1-CE2 4.34Å; F80-F125 AromaticContact CE2-CD2 3.57Å; F80-F125 HydrophobicContact CE2-CD2 3.57Å; F80-F125 AromaticContact CE2-CE2 3.78Å; F80-F125 HydrophobicContact CE2-CE2 3.78Å; F80-F125 AromaticContact CZ-CD2 3.76Å; F80-F125 HydrophobicContact CZ-CD2 3.76Å; F80-F125 AromaticContact CZ-CE2 3.7Å; F80-F125 HydrophobicContact CZ-CE2 3.7Å; F80-V127 HydrophobicContact CD2-CB 4.42Å; F80-V127 HydrophobicContact CD2-CG2 3.29Å; F80-V127 HydrophobicContact CE2-CB 4.34Å; F80-V127 HydrophobicContact CE2-CG2 3.51Å; F80-V127 HydrophobicContact CG-CG2 4.02Å; F80-V127 HydrophobicContact CZ-CG2 4.38Å; F80-L133 HydrophobicContact CD2-CD1 3.69Å; F80-L133 HydrophobicContact CE2-CD1 3.48Å; F80-L133 VanDerWaalsContact CE2-CD1 3.48Å; F80-L155 HydrophobicContact CB-CB 4.31Å; F80-L155 HydrophobicContact CB-CD1 4.41Å; F80-L155 HydrophobicContact CB-CD2 4.38Å; F80-L155 HydrophobicContact CD1-CB 4.12Å; F80-W156 CarbonylContact C-O 3.52Å; F80-W156 WeakPolarHBondContact CA-O 3.44Å; F80-A157 HydrophobicContact CE1-CB 4.26Å
81T98.2Very high90.2Very high0 Ų047.5 Ų47.50%031%0.305CS..EExtended strand (participates in β ladder)trans-132.6154.7176.9-173.90000111F50 L83 P106 T107 L155 W156 V158F50-T81 HydrophobicContact CD1-CG2 3.85Å; F50-T81 HydrophobicContact CE1-CG2 3.89Å; T81-L83 HydrophobicContact CG2-CB 4.14Å; T81-L83 WeakPolarHBondContact OG1-CB 3.29Å; T81-L83 WeakPolarHBondContact OG1-CG 3.44Å; T81-L83 PolarHBondContact OG1-N 3.17Å; T81-P106 WeakPolarHBondContact CA-O 3.28Å; T81-P106 PolarHBondContact OG1-O 3.44Å; T81-T107 VanDerWaalsContact CB-OG1 3.29Å; T81-T107 WeakPolarHBondContact CB-OG1 3.21Å; T81-T107 PolarHBondContact OG1-OG1 3.4Å; T81-L155 CarbonylContact O-C 3.42Å; T81-L155 WeakPolarHBondContact O-CA 3.16Å; T81-W156 HydrophobicContact CG2-CB 4.09Å; T81-W156 PolarHBondContact N-O 3.26Å; T81-W156 PolarHBondContact O-N 2.97Å; T81-V158 HydrophobicContact CG2-CB 4.31Å
82R97.1Very high90.9Very high91 Ų9147.1 Ų47.134%0.34329%0.29SS..SBendtrans-92.2-2.4166.6-74.2-179.3174.2-139-5.6113.1D84 P106 W108 P150 L155R82-D84 PolarHBondContact O-N 3.41Å; R82-P106 HydrophobicContact CB-CB 4Å; R82-P106 HydrophobicContact CB-CG 3.84Å; R82-P106 PolarHBondContact N-O 2.85Å; R82-W108 HydrophobicContact CG-CH2 4.41Å; R82-W108 HydrophobicContact CG-CZ3 4.04Å; R82-P150 VanDerWaalsContact NH2-CB 3.33Å; R82-P150 PolarHBondContact NH2-O 2.89Å; R82-L155 HydrophobicContact CG-CD2 3.77Å
83L96.3Very high91.7Very high41 Ų4144.1 Ų44.122%0.21528%0.28CS..SBendtrans-67122.2170.1-61.9179.4000108.9T81 P85 V88 L101 P106T81-L83 HydrophobicContact CG2-CB 4.14Å; T81-L83 WeakPolarHBondContact OG1-CB 3.29Å; T81-L83 WeakPolarHBondContact OG1-CG 3.44Å; T81-L83 PolarHBondContact OG1-N 3.17Å; L83-P85 VanDerWaalsContact O-CD 3.28Å; L83-P85 WeakPolarHBondContact O-CD 3.38Å; L83-V88 HydrophobicContact CB-CG2 3.79Å; L83-V88 HydrophobicContact CD1-CG2 4.14Å; L83-V88 HydrophobicContact CG-CG2 4.41Å; L83-L101 HydrophobicContact CD1-CD1 3.97Å; L83-P106 HydrophobicContact CD2-CG 4.4Å
84D96.8Very high92.8Very high60 Ų6039.8 Ų39.832%0.32125%0.251SS..  trans-73.1115.5165.7-171.8-21.3000108R82 A86 C87 V88 W156R82-D84 PolarHBondContact O-N 3.41Å; D84-A86 PolarHBondContact O-N 2.97Å; D84-A86 VanDerWaalsContact O-N 3.1Å; D84-A86 WeakPolarHBondContact OD1-CB 3.48Å; D84-A86 PolarHBondContact OD1-N 3.48Å; D84-C87 HydrophobicContact CB-CB 4.33Å; D84-C87 PolarHBondContact O-N 2.87Å; D84-V88 WeakPolarHBondContact O-CG2 3.4Å; D84-V88 PolarHBondContact O-N 2.79Å; D84-W156 HydrophobicContact CB-CH2 3.77Å; D84-W156 HydrophobicContact CB-CZ2 3.77Å; D84-W156 HydrophobicContact CB-CZ3 4.35Å
85P96.6Very high93.5Very high0 Ų041 Ų410%025%0.254CS..G310 helixtrans-57.1-27.5-178.8-24.135.6000112.9H21 T24 F50 L83 C87 V88 W156H21-P85 HydrophobicContact CB-CB 4.05Å; T24-P85 WeakPolarHBondContact CB-O 3.5Å; T24-P85 HydrophobicContact CG2-CB 4.26Å; T24-P85 PolarHBondContact OG1-O 2.81Å; F50-P85 HydrophobicContact CB-CB 3.93Å; F50-P85 HydrophobicContact CB-CG 3.44Å; F50-P85 VanDerWaalsContact CB-CG 3.44Å; F50-P85 HydrophobicContact CD1-CG 4.19Å; F50-P85 HydrophobicContact CD2-CB 4.49Å; F50-P85 HydrophobicContact CG-CB 4.19Å; F50-P85 HydrophobicContact CG-CG 3.85Å; L83-P85 VanDerWaalsContact O-CD 3.28Å; L83-P85 WeakPolarHBondContact O-CD 3.38Å; P85-C87 PolarHBondContact O-N 2.9Å; P85-V88 PolarHBondContact O-N 2.94Å; P85-W156 VanDerWaalsContact CD-NE1 3.3Å; P85-W156 HydrophobicContact CG-CB 4.33Å; P85-W156 HydrophobicContact CG-CG 4.02Å
86A96.2Very high93.9Very high73 Ų7342.2 Ų42.260%0.60326%0.256SS*.G310 helixtrans-66.8-20.7176.300000113.1D84D84-A86 PolarHBondContact O-N 2.97Å; D84-A86 VanDerWaalsContact O-N 3.1Å; D84-A86 WeakPolarHBondContact OD1-CB 3.48Å; D84-A86 PolarHBondContact OD1-N 3.48Å
87C93.7Very high94Very high110 Ų11042.1 Ų42.174%0.74326%0.256SS*.G310 helixtrans-104.7-2-178.8-61.80000113.3D84 P85D84-C87 HydrophobicContact CB-CB 4.33Å; D84-C87 PolarHBondContact O-N 2.87Å; P85-C87 PolarHBondContact O-N 2.9Å
88V92.5Very high93.6Very high24 Ų2441.9 Ų41.915%0.14526%0.258CS..  trans-90.2126.6-179.1174.10000110T24 L83 D84 P85 L93T24-V88 HydrophobicContact CG2-CB 3.76Å; T24-V88 HydrophobicContact CG2-CG1 3.84Å; L83-V88 HydrophobicContact CB-CG2 3.79Å; L83-V88 HydrophobicContact CD1-CG2 4.14Å; L83-V88 HydrophobicContact CG-CG2 4.41Å; D84-V88 WeakPolarHBondContact O-CG2 3.4Å; D84-V88 PolarHBondContact O-N 2.79Å; P85-V88 PolarHBondContact O-N 2.94Å; V88-L93 HydrophobicContact CG1-CD2 3.76Å; V88-L93 HydrophobicContact CG1-CG 4.25Å
89S89.8Confident93.2Very high71 Ų7144.9 Ų44.950%0.49728%0.277SS..  trans-73.1126.5173.1-170.50000110.4P91 S92S89-P91 WeakPolarHBondContact OG-CD 3.38Å; S89-S92 PolarHBondContact O-N 2.84Å; S89-S92 PolarHBondContact O-OG 3.1Å
90V86.2Confident92.9Very high63 Ų6346.4 Ų46.438%0.38229%0.285SS..G310 helixtrans-59.4-42.4-179177.80000112.8S92 L93V90-S92 PolarHBondContact O-N 3.34Å; V90-S92 VanDerWaalsContact O-N 3.13Å; V90-L93 WeakPolarHBondContact O-CB 3.42Å; V90-L93 PolarHBondContact O-N 2.6Å
91P86.9Confident92.6Very high120 Ų12046.5 Ų46.578%0.77929%0.286SS*.G310 helixtrans-60.2-18.2174.1-26.235.2000115.3S89S89-P91 WeakPolarHBondContact OG-CD 3.38Å
92S85.1Confident92.5Very high73 Ų7348.3 Ų48.351%0.5130%0.295SS..G310 helixtrans-91.61.6176.665.90000113.5S89 V90 P94S89-S92 PolarHBondContact O-N 2.84Å; S89-S92 PolarHBondContact O-OG 3.1Å; V90-S92 PolarHBondContact O-N 3.34Å; V90-S92 VanDerWaalsContact O-N 3.13Å; S92-P94 WeakPolarHBondContact O-CD 3.05Å
93L93.4Very high92.3Very high26 Ų2651.4 Ų51.414%0.13631%0.313CS..  trans-73.3124.8173.6-71.7178000109.9T24 F50 V88 V90T24-L93 HydrophobicContact CG2-CD1 4.2Å; F50-L93 HydrophobicContact CE2-CD1 4.28Å; F50-L93 HydrophobicContact CE2-CD2 3.8Å; F50-L93 HydrophobicContact CZ-CD2 3.82Å; V88-L93 HydrophobicContact CG1-CD2 3.76Å; V88-L93 HydrophobicContact CG1-CG 4.25Å; V90-L93 WeakPolarHBondContact O-CB 3.42Å; V90-L93 PolarHBondContact O-N 2.6Å
94P94.1Very high92.2Very high13 Ų1355.7 Ų55.78%0.08433%0.332CS..  trans-74.2168.4174.732.7-35.3000111.2I48 S92 F96 D100 L101I48-P94 HydrophobicContact CD1-CG 4.31Å; I48-P94 WeakPolarHBondContact CD1-O 3.28Å; S92-P94 WeakPolarHBondContact O-CD 3.05Å; P94-F96 VanDerWaalsContact C-N 3.25Å; P94-F96 PolarHBondContact O-N 3.36Å; P94-D100 HydrophobicContact CB-CB 3.48Å; P94-D100 VanDerWaalsContact CB-CB 3.48Å; P94-D100 HydrophobicContact CG-CB 3.8Å; P94-L101 HydrophobicContact CG-CB 3.76Å; P94-L101 HydrophobicContact CG-CD1 4.15Å
95P89.8Confident92Very high48 Ų4853.9 Ų53.931%0.31232%0.324SS..SBendtrans-66.6-24.4-178.722.8-30.9000114H45 D46 D100H45-P95 HydrophobicContact CB-CB 4.04Å; D46-P95 PolarHBondContact N-O 3.16Å; D46-P95 VanDerWaalsContact OD1-CA 3.28Å; D46-P95 WeakPolarHBondContact OD1-CA 3.14Å; D46-P95 WeakPolarHBondContact OD1-CB 3.34Å; P95-D100 WeakPolarHBondContact CD-OD2 3.42Å; P95-D100 WeakPolarHBondContact CG-OD2 3.22Å
96F93.8Very high92Very high39 Ų3956.6 Ų56.617%0.17134%0.342CS..  trans-132.7147.3-176.2-54.7-60.9000113.4F44 H45 R77 P94 C98 D100 L101 Y162F44-F96 HydrophobicContact CD2-CE1 4.22Å; F44-F96 HydrophobicContact CD2-CZ 4.29Å; F44-F96 HydrophobicContact CE2-CE1 4.25Å; F44-F96 AromaticContact CE2-CZ 3.85Å; F44-F96 HydrophobicContact CE2-CZ 3.85Å; H45-F96 HydrophobicContact CB-CD1 4.05Å; H45-F96 HydrophobicContact CB-CE1 3.22Å; H45-F96 HydrophobicContact CB-CZ 3.52Å; R77-F96 VanDerWaalsContact NH1-CD1 3.31Å; P94-F96 VanDerWaalsContact C-N 3.25Å; P94-F96 PolarHBondContact O-N 3.36Å; F96-C98 WeakPolarHBondContact CB-O 3.29Å; F96-D100 WeakPolarHBondContact CB-OD2 3.23Å; F96-D100 VanDerWaalsContact CD2-OD2 3.3Å; F96-D100 WeakPolarHBondContact CD2-OD2 3.4Å; F96-D100 PolarHBondContact N-OD2 3.29Å; F96-D100 WeakPolarHBondContact O-CB 3.22Å; F96-L101 PolarHBondContact O-N 2.9Å; F96-Y162 AromaticContact CD1-CD2 3.85Å; F96-Y162 HydrophobicContact CD1-CD2 3.85Å; F96-Y162 AromaticContact CD1-CE2 3.85Å; F96-Y162 HydrophobicContact CD1-CE2 3.85Å; F96-Y162 AromaticContact CE1-CD2 3.83Å; F96-Y162 HydrophobicContact CE1-CD2 3.83Å; F96-Y162 AromaticContact CE1-CE2 3.52Å; F96-Y162 HydrophobicContact CE1-CE2 3.52Å
97V95.8Very high92.1Very high1 Ų153.3 Ų53.31%0.00631%0.314CS..Iπ-helixtrans-69.8-42.3168.5176.30000111I48 L101 E102 T107 A109 V158 D160I48-V97 HydrophobicContact CB-CG2 4.27Å; I48-V97 HydrophobicContact CD1-CG2 3.88Å; I48-V97 HydrophobicContact CG1-CG2 3.8Å; I48-V97 HydrophobicContact CG2-CG2 3.8Å; V97-L101 HydrophobicContact CG2-CD2 4.44Å; V97-L101 PolarHBondContact O-N 2.82Å; V97-E102 PolarHBondContact O-N 2.89Å; V97-E102 VanDerWaalsContact O-N 3.16Å; V97-T107 HydrophobicContact CG1-CG2 4.18Å; V97-A109 HydrophobicContact CG1-CB 3.37Å; V97-V158 HydrophobicContact CG1-CG1 4.41Å; V97-V158 HydrophobicContact CG1-CG2 4.37Å; V97-V158 HydrophobicContact CG2-CG2 3.85Å; V97-D160 HydrophobicContact CB-CB 4.04Å; V97-D160 HydrophobicContact CG2-CB 3.64Å; V97-D160 PolarHBondContact N-OD2 2.86Å
98C89.3Confident92.3Very high22 Ų2250.3 Ų50.315%0.14929%0.287CS..Iπ-helixtrans-120.3127.8177.1-58.80000109.4R77 F96R77-C98 PolarHBondContact NH1-O 3.23Å; F96-C98 WeakPolarHBondContact CB-O 3.29Å
99P88.4Confident92.5Very high63 Ų6349.1 Ų49.141%0.40928%0.28SS..Iπ-helixcis-83.7-20.3-133.3-33.5000114.2L101 E102 E103P99-L101 PolarHBondContact O-N 2.89Å; P99-E102 PolarHBondContact O-N 3.27Å; P99-E103 HydrophobicContact CB-CG 4.34Å; P99-E103 WeakPolarHBondContact O-CG 3.22Å; P99-E103 PolarHBondContact O-N 2.88Å
100D92.1Very high92.7Very high32 Ų3246.5 Ų46.517%0.17126%0.263CS..Iπ-helixtrans-58.5-57.6-158.6-40.5-19.2000115.1P94 P95 F96 E102 E103 Q104P94-D100 HydrophobicContact CB-CB 3.48Å; P94-D100 VanDerWaalsContact CB-CB 3.48Å; P94-D100 HydrophobicContact CG-CB 3.8Å; P95-D100 WeakPolarHBondContact CD-OD2 3.42Å; P95-D100 WeakPolarHBondContact CG-OD2 3.22Å; F96-D100 WeakPolarHBondContact CB-OD2 3.23Å; F96-D100 VanDerWaalsContact CD2-OD2 3.3Å; F96-D100 WeakPolarHBondContact CD2-OD2 3.4Å; F96-D100 PolarHBondContact N-OD2 3.29Å; F96-D100 WeakPolarHBondContact O-CB 3.22Å; D100-E102 VanDerWaalsContact C-N 3.25Å; D100-E102 PolarHBondContact O-N 3.06Å; D100-E103 PolarHBondContact O-N 2.89Å; D100-Q104 WeakPolarHBondContact O-CB 3.18Å; D100-Q104 WeakPolarHBondContact O-CG 3.45Å; D100-Q104 PolarHBondContact O-N 3.38Å; D100-Q104 VanDerWaalsContact O-N 3.1Å
101L93.6Very high93Very high7 Ų747 Ų474%0.03727%0.266CS..Iπ-helixtrans-64.7-35.4-176.8-173.861.3000111.2I48 F50 L83 P94 F96 V97 P99 Q104 S105 T107 V158I48-L101 HydrophobicContact CD1-CD2 4.31Å; I48-L101 HydrophobicContact CG2-CD2 4.31Å; F50-L101 HydrophobicContact CE1-CD2 4.16Å; F50-L101 HydrophobicContact CZ-CD2 3.98Å; L83-L101 HydrophobicContact CD1-CD1 3.97Å; P94-L101 HydrophobicContact CG-CB 3.76Å; P94-L101 HydrophobicContact CG-CD1 4.15Å; F96-L101 PolarHBondContact O-N 2.9Å; V97-L101 HydrophobicContact CG2-CD2 4.44Å; V97-L101 PolarHBondContact O-N 2.82Å; P99-L101 PolarHBondContact O-N 2.89Å; L101-Q104 PolarHBondContact O-N 3.33Å; L101-S105 VanDerWaalsContact O-CB 3.32Å; L101-S105 WeakPolarHBondContact O-CB 2.78Å; L101-S105 PolarHBondContact O-N 2.9Å; L101-S105 PolarHBondContact O-OG 3.21Å; L101-T107 HydrophobicContact CD2-CG2 4.23Å; L101-T107 HydrophobicContact CG-CG2 4.23Å; L101-V158 HydrophobicContact CD2-CG2 4.24Å
102E94.9Very high93.1Very high38 Ų3841.7 Ų41.718%0.17823%0.231CC..Hα-helixtrans-67.1-38.7177.5170.4165.6-9500113.2V97 P99 D100 Q104 T107 W108 A109 R146V97-E102 PolarHBondContact O-N 2.89Å; V97-E102 VanDerWaalsContact O-N 3.16Å; P99-E102 PolarHBondContact O-N 3.27Å; D100-E102 VanDerWaalsContact C-N 3.25Å; D100-E102 PolarHBondContact O-N 3.06Å; E102-Q104 VanDerWaalsContact C-N 3.35Å; E102-T107 WeakPolarHBondContact CG-O 3.24Å; E102-W108 WeakPolarHBondContact OE1-CA 3.32Å; E102-A109 PolarHBondContact OE1-N 2.83Å; E102-A109 VanDerWaalsContact OE1-N 3.11Å; E102-R146 IonicContact OE1-CZ 2.87Å; E102-R146 IonicContact OE1-NE 3.85Å; E102-R146 PolarHBondContact OE1-NE 2.74Å; E102-R146 IonicContact OE1-NH1 3.24Å; E102-R146 PolarHBondContact OE1-NH1 3.27Å; E102-R146 IonicContact OE1-NH2 2.87Å; E102-R146 PolarHBondContact OE1-NH2 3.34Å; E102-R146 IonicContact OE2-CZ 3.04Å; E102-R146 IonicContact OE2-NH1 2.76Å; E102-R146 PolarHBondContact OE2-NH1 3.48Å; E102-R146 IonicContact OE2-NH2 2.66Å; E102-R146 PolarHBondContact OE2-NH2 2.73Å
103E93.7Very high92.9Very high155 Ų15539.8 Ų39.872%0.72422%0.217SC*.Hα-helixtrans-73.1-29.7176.5-72.2178.4177.200112.5P99 D100P99-E103 HydrophobicContact CB-CG 4.34Å; P99-E103 WeakPolarHBondContact O-CG 3.22Å; P99-E103 PolarHBondContact O-N 2.88Å; D100-E103 PolarHBondContact O-N 2.89Å
104Q92.9Very high91.7Very high132 Ų13245.6 Ų45.662%0.61724%0.243SC*.Hα-helixtrans-92.9-12.2-174.5-65.1168.525.300113.8D100 L101 E102D100-Q104 WeakPolarHBondContact O-CB 3.18Å; D100-Q104 WeakPolarHBondContact O-CG 3.45Å; D100-Q104 PolarHBondContact O-N 3.38Å; D100-Q104 VanDerWaalsContact O-N 3.1Å; L101-Q104 PolarHBondContact O-N 3.33Å; E102-Q104 VanDerWaalsContact C-N 3.35Å
105S94Very high90.5Very high22 Ų2246.7 Ų46.715%0.15426%0.256CS..SBendtrans-151.8164.8-168.581.60000112.6L101 T107L101-S105 VanDerWaalsContact O-CB 3.32Å; L101-S105 WeakPolarHBondContact O-CB 2.78Å; L101-S105 PolarHBondContact O-N 2.9Å; L101-S105 PolarHBondContact O-OG 3.21Å; S105-T107 PolarHBondContact O-N 3.03Å; S105-T107 WeakPolarHBondContact OG-CB 2.91Å; S105-T107 PolarHBondContact OG-OG1 2.69Å
106P96.3Very high89.6Confident57 Ų5745.3 Ų45.337%0.3725%0.248SC..SBendtrans-72.971.4173.932.2-37.3000110.9T81 R82 L83 W108T81-P106 WeakPolarHBondContact CA-O 3.28Å; T81-P106 PolarHBondContact OG1-O 3.44Å; R82-P106 HydrophobicContact CB-CB 4Å; R82-P106 HydrophobicContact CB-CG 3.84Å; R82-P106 PolarHBondContact N-O 2.85Å; L83-P106 HydrophobicContact CD2-CG 4.4Å; P106-W108 VanDerWaalsContact C-CZ3 3.41Å; P106-W108 HydrophobicContact CB-CH2 3.7Å; P106-W108 HydrophobicContact CB-CZ3 4.13Å; P106-W108 WeakPolarHBondContact O-CZ3 3.49Å
107T97.7Very high88.9Confident3 Ų344.1 Ų44.12%0.01825%0.245CC..EExtended strand (participates in β ladder)trans-126.8137.5-177.4-65.40000109.2T81 V97 L101 E102 S105 V158T81-T107 VanDerWaalsContact CB-OG1 3.29Å; T81-T107 WeakPolarHBondContact CB-OG1 3.21Å; T81-T107 PolarHBondContact OG1-OG1 3.4Å; V97-T107 HydrophobicContact CG1-CG2 4.18Å; L101-T107 HydrophobicContact CD2-CG2 4.23Å; L101-T107 HydrophobicContact CG-CG2 4.23Å; E102-T107 WeakPolarHBondContact CG-O 3.24Å; S105-T107 PolarHBondContact O-N 3.03Å; S105-T107 WeakPolarHBondContact OG-CB 2.91Å; S105-T107 PolarHBondContact OG-OG1 2.69Å; T107-V158 HydrophobicContact CG2-CG1 4Å
108W97.9Very high88.5Confident47 Ų4748.6 Ų48.618%0.17827%0.268CS..EExtended strand (participates in β ladder)trans-131.5109.2179-60.8-91.1000108.7G79 F80 R82 E102 P106 V149 P150G79-W108 CarbonylContact C-O 3.26Å; G79-W108 WeakPolarHBondContact CA-O 3.36Å; F80-W108 PolarHBondContact N-O 2.97Å; F80-W108 PolarHBondContact O-N 3.15Å; R82-W108 HydrophobicContact CG-CH2 4.41Å; R82-W108 HydrophobicContact CG-CZ3 4.04Å; E102-W108 WeakPolarHBondContact OE1-CA 3.32Å; P106-W108 VanDerWaalsContact C-CZ3 3.41Å; P106-W108 HydrophobicContact CB-CH2 3.7Å; P106-W108 HydrophobicContact CB-CZ3 4.13Å; P106-W108 WeakPolarHBondContact O-CZ3 3.49Å; W108-V149 HydrophobicContact CB-CG2 3.77Å; W108-V149 HydrophobicContact CD2-CG1 4.32Å; W108-V149 HydrophobicContact CE3-CG1 4.13Å; W108-V149 HydrophobicContact CG-CG2 4.04Å; W108-P150 HydrophobicContact CH2-CG 3.66Å; W108-P150 HydrophobicContact CZ2-CG 3.42Å; W108-P150 VanDerWaalsContact CZ2-CG 3.42Å; W108-P150 HydrophobicContact CZ3-CG 4.48Å
109A97.3Very high88.6Confident0 Ų051 Ų510%028%0.283CS..EExtended strand (participates in β ladder)trans-138.8166.3-176.700000111.5V78 V97 E102 R146V78-A109 WeakPolarHBondContact O-CA 3.45Å; V97-A109 HydrophobicContact CG1-CB 3.37Å; E102-A109 PolarHBondContact OE1-N 2.83Å; E102-A109 VanDerWaalsContact OE1-N 3.11Å; A109-R146 PolarHBondContact O-NH1 2.94Å
110A94.5Very high88.6Confident16 Ų1650.2 Ų50.213%0.13229%0.286CS..EExtended strand (participates in β ladder)trans-149.4156.1170.600000110.3R77 V78 L145R77-A110 CarbonylContact C-O 3.58Å; R77-A110 VanDerWaalsContact CA-O 3.29Å; R77-A110 WeakPolarHBondContact CA-O 3.47Å; V78-A110 PolarHBondContact N-O 2.87Å; V78-A110 PolarHBondContact O-N 2.91Å; A110-L145 HydrophobicContact CB-CB 3.87Å; A110-L145 HydrophobicContact CB-CD2 4.38Å
111V91.9Very high88.6Confident74 Ų7450.3 Ų50.345%0.44829%0.286SS..EExtended strand (participates in β ladder)trans-68.4137.1166.269.60000109.4R77R77-V111 HydrophobicContact CG-CB 4.14Å; R77-V111 HydrophobicContact CG-CG2 4.21Å
112L89.4Confident88.7Confident7 Ų750.8 Ų50.84%0.03729%0.289CS..PPolyproline II helixtrans-62.9139.9166.2-70.3179000108.6L76 V78 E114 A117 V123 A135 L145L76-L112 HydrophobicContact CB-CD1 4.09Å; L76-L112 HydrophobicContact CD2-CD1 3.84Å; L76-L112 HydrophobicContact CG-CD1 4.1Å; L76-L112 WeakPolarHBondContact O-CB 3.45Å; L76-L112 WeakPolarHBondContact O-CG 3.26Å; L76-L112 PolarHBondContact O-N 3.41Å; V78-L112 HydrophobicContact CG2-CD2 3.93Å; V78-L112 HydrophobicContact CG2-CG 4.37Å; L112-E114 PolarHBondContact O-N 2.87Å; L112-A117 HydrophobicContact CD1-CB 4.26Å; L112-V123 HydrophobicContact CD1-CB 4.41Å; L112-V123 HydrophobicContact CD1-CG1 3.7Å; L112-V123 HydrophobicContact CD1-CG2 3.87Å; L112-V123 HydrophobicContact CD2-CG1 4.17Å; L112-A135 HydrophobicContact CD2-CB 3.66Å; L112-L145 HydrophobicContact CD2-CD1 4.16Å; L112-L145 HydrophobicContact CD2-CD2 4.44Å
113P79.6Confident88.8Confident34 Ų3449 Ų4922%0.22128%0.281CS..PPolyproline II helixtrans-55.8138.3-179.6-2028.6000110.5G115 C116 F143P113-G115 PolarHBondContact O-N 3.39Å; P113-C116 WeakPolarHBondContact O-CB 3.24Å; P113-C116 PolarHBondContact O-N 3.24Å; P113-C116 VanDerWaalsContact O-N 3.1Å; P113-F143 HydrophobicContact CG-CG 4.47Å
114E69.8Low88.9Confident148 Ų14845.1 Ų45.169%0.69226%0.26SS*.THydrogen-bonded Turntrans-53.4139.5-172-172.2164.5-158.500111.6L112 C116 R232L112-E114 PolarHBondContact O-N 2.87Å; E114-C116 PolarHBondContact O-N 3Å; E114-C116 VanDerWaalsContact O-N 3.1Å; E114-R232 PolarHBondContact O-NE 3.3Å; E114-R232 PolarHBondContact O-NH1 3.28Å; E114-R232 PolarHBondContact O-NH2 2.81Å
115G67.6Low89.2Confident35 Ų3538.8 Ų38.836%0.36123%0.23SC..THydrogen-bonded Turntrans665.5-179.100000116.2P113 R232P113-G115 PolarHBondContact O-N 3.39Å; G115-R232 VanDerWaalsContact C-CZ 3.5Å; G115-R232 WeakPolarHBondContact O-CD 2.94Å; G115-R232 PolarHBondContact O-NH1 3.28Å
116C71.1Confident89.4Confident19 Ų1939.2 Ų39.213%0.12823%0.229CC..SBendtrans-81.1-16.4-178.4-78.40000114.5P113 E114 V137 R232P113-C116 WeakPolarHBondContact O-CB 3.24Å; P113-C116 PolarHBondContact O-N 3.24Å; P113-C116 VanDerWaalsContact O-N 3.1Å; E114-C116 PolarHBondContact O-N 3Å; E114-C116 VanDerWaalsContact O-N 3.1Å; C116-V137 WeakPolarHBondContact O-CB 3.22Å; C116-V137 WeakPolarHBondContact O-CG1 3.41Å; C116-V137 WeakPolarHBondContact O-CG2 3Å; C116-R232 VanDerWaalsContact CA-NH1 3.29Å; C116-R232 VanDerWaalsContact N-NH1 3.13Å; C116-R232 PolarHBondContact SG-NH1 3.48Å
117A79.9Confident89.4Confident14 Ų1436.7 Ų36.712%0.11621%0.212CC..  trans-134122177.800000108L65 L112 V123 V137L65-A117 HydrophobicContact CD1-CB 4.11Å; L65-A117 HydrophobicContact CD2-CB 3.63Å; L112-A117 HydrophobicContact CD1-CB 4.26Å; A117-V123 HydrophobicContact CB-CG2 3.78Å; A117-V137 HydrophobicContact CB-CG1 4.41Å; A117-V137 HydrophobicContact CB-CG2 4.27Å
118L85.7Confident89.3Confident95 Ų9537.8 Ų37.850%0.49722%0.218SC..  trans-111.9169176.6-60.4175.6000110.3L65 E68 G120 D121L65-L118 WeakPolarHBondContact CB-O 3.41Å; E68-L118 WeakPolarHBondContact OE1-CA 3.37Å; L118-G120 PolarHBondContact O-N 3.02Å; L118-D121 PolarHBondContact N-OD2 3.07Å; L118-D121 VanDerWaalsContact O-CB 3.22Å; L118-D121 WeakPolarHBondContact O-CB 3.18Å; L118-D121 PolarHBondContact O-N 3.25Å
119V91.3Very high89.1Confident74 Ų7446.3 Ų46.345%0.44825%0.25SC..THydrogen-bonded Turntrans-51.8129.1169.9179.70000110.9L66 E68L66-V119 WeakPolarHBondContact O-CG1 3.44Å; E68-V119 HydrophobicContact CB-CG2 3.84Å; E68-V119 HydrophobicContact CG-CG2 3.57Å
120G88.8Confident89Confident46 Ų4655.7 Ų55.747%0.47429%0.285SS..THydrogen-bonded Turntrans95.6-21.1-176.400000114.1L65 L118L65-G120 PolarHBondContact O-N 2.96Å; L118-G120 PolarHBondContact O-N 3.02Å
121D92.8Very high89Confident34 Ų3455 Ų5518%0.18228%0.28CS..  trans-69.7149.6-178.7-74.2-19.1000112.6R64 L65 L118 V137 N138R64-D121 WeakPolarHBondContact CA-O 3.2Å; L65-D121 PolarHBondContact N-O 2.99Å; L118-D121 PolarHBondContact N-OD2 3.07Å; L118-D121 VanDerWaalsContact O-CB 3.22Å; L118-D121 WeakPolarHBondContact O-CB 3.18Å; L118-D121 PolarHBondContact O-N 3.25Å; D121-V137 HydrophobicContact CB-CG1 3.72Å; D121-N138 VanDerWaalsContact CG-ND2 3.26Å; D121-N138 PolarHBondContact OD1-ND2 2.86Å
122V96Very high89.2Confident17 Ų1754.7 Ų54.710%0.10327%0.271CS..EExtended strand (participates in β ladder)trans-108108.8176.4-176.90000110.4V62 L63 N138 L171V62-V122 HydrophobicContact CG1-CG1 3.43Å; V62-V122 VanDerWaalsContact CG1-CG1 3.43Å; L63-V122 CarbonylContact O-C 3.44Å; L63-V122 VanDerWaalsContact O-CA 3.22Å; L63-V122 WeakPolarHBondContact O-CA 3.38Å; V122-N138 PolarHBondContact N-OD1 2.84Å; V122-N138 PolarHBondContact O-N 2.91Å; V122-L171 HydrophobicContact CG1-CD1 4.09Å; V122-L171 HydrophobicContact CG2-CD1 4.22Å
123V96.2Very high89.6Confident0 Ų054.4 Ų54.40%027%0.269CS..EExtended strand (participates in β ladder)trans-88.1132.8174.3-172.70000109.4V62 L63 L65 L76 L112 A117 K136 V137V62-V123 CarbonylContact C-O 3.6Å; V62-V123 WeakPolarHBondContact CA-O 3.09Å; L63-V123 HydrophobicContact CB-CB 4.39Å; L63-V123 PolarHBondContact N-O 2.8Å; L63-V123 PolarHBondContact O-N 2.75Å; L65-V123 HydrophobicContact CD1-CG2 3.52Å; L76-V123 HydrophobicContact CD2-CG2 4.49Å; L112-V123 HydrophobicContact CD1-CB 4.41Å; L112-V123 HydrophobicContact CD1-CG1 3.7Å; L112-V123 HydrophobicContact CD1-CG2 3.87Å; L112-V123 HydrophobicContact CD2-CG1 4.17Å; A117-V123 HydrophobicContact CB-CG2 3.78Å; V123-K136 CarbonylContact C-O 3.55Å; V123-V137 HydrophobicContact CG1-CG2 4.46Å; V123-V137 HydrophobicContact CG2-CG2 4.1Å
124R97.3Very high90.3Very high73 Ų7353.3 Ų53.328%0.27526%0.261SS..EExtended strand (participates in β ladder)trans-121.5125171.9-64.4-178.3176.973.3-0.2109.2V61 V62 A135 K136V61-R124 VanDerWaalsContact O-CA 3.28Å; V61-R124 WeakPolarHBondContact O-CA 3.49Å; V62-R124 HydrophobicContact CB-CG 4.43Å; V62-R124 HydrophobicContact CG1-CG 4.02Å; V62-R124 HydrophobicContact CG2-CG 4.08Å; R124-A135 CarbonylContact O-C 3.6Å; R124-A135 WeakPolarHBondContact O-CA 3.42Å; R124-K136 PolarHBondContact N-O 3.1Å; R124-K136 PolarHBondContact O-N 2.7Å
125F97.9Very high91.6Very high0 Ų046.3 Ų46.30%023%0.228CC..EExtended strand (participates in β ladder)trans-130.8151.3174.270-83.1000111.6V61 L63 V78 G79 F80 L133 F134 A135 A157 M159V61-F125 HydrophobicContact CB-CD1 3.97Å; V61-F125 HydrophobicContact CB-CD2 4.35Å; V61-F125 HydrophobicContact CB-CE1 3.48Å; V61-F125 VanDerWaalsContact CB-CE1 3.48Å; V61-F125 HydrophobicContact CB-CE2 3.91Å; V61-F125 HydrophobicContact CB-CG 4.37Å; V61-F125 HydrophobicContact CB-CZ 3.46Å; V61-F125 VanDerWaalsContact CB-CZ 3.46Å; V61-F125 HydrophobicContact CG1-CD1 4.28Å; V61-F125 HydrophobicContact CG1-CE1 3.37Å; V61-F125 HydrophobicContact CG1-CE2 4.31Å; V61-F125 HydrophobicContact CG1-CZ 3.4Å; V61-F125 HydrophobicContact CG2-CE1 4.39Å; V61-F125 HydrophobicContact CG2-CE2 3.96Å; V61-F125 HydrophobicContact CG2-CZ 3.88Å; V61-F125 PolarHBondContact N-O 2.86Å; V61-F125 PolarHBondContact O-N 2.76Å; L63-F125 HydrophobicContact CD1-CD1 4.3Å; L63-F125 HydrophobicContact CD1-CE1 3.68Å; L63-F125 HydrophobicContact CG-CE1 4.1Å; V78-F125 HydrophobicContact CB-CD1 3.96Å; V78-F125 HydrophobicContact CB-CD2 4.15Å; V78-F125 HydrophobicContact CB-CE1 4.07Å; V78-F125 HydrophobicContact CB-CE2 4.26Å; V78-F125 HydrophobicContact CB-CG 3.99Å; V78-F125 HydrophobicContact CB-CZ 4.21Å; V78-F125 HydrophobicContact CG1-CD1 3.99Å; V78-F125 HydrophobicContact CG1-CE1 4Å; V78-F125 HydrophobicContact CG2-CB 4.13Å; V78-F125 HydrophobicContact CG2-CD1 4.28Å; V78-F125 HydrophobicContact CG2-CD2 4.37Å; V78-F125 HydrophobicContact CG2-CG 4.01Å; G79-F125 WeakPolarHBondContact O-CE2 3.29Å; F80-F125 HydrophobicContact CD2-CD2 4.48Å; F80-F125 HydrophobicContact CD2-CE2 4.48Å; F80-F125 HydrophobicContact CE1-CE2 4.34Å; F80-F125 AromaticContact CE2-CD2 3.57Å; F80-F125 HydrophobicContact CE2-CD2 3.57Å; F80-F125 AromaticContact CE2-CE2 3.78Å; F80-F125 HydrophobicContact CE2-CE2 3.78Å; F80-F125 AromaticContact CZ-CD2 3.76Å; F80-F125 HydrophobicContact CZ-CD2 3.76Å; F80-F125 AromaticContact CZ-CE2 3.7Å; F80-F125 HydrophobicContact CZ-CE2 3.7Å; F125-L133 HydrophobicContact CD2-CD1 4.22Å; F125-F134 CarbonylContact C-O 3.57Å; F125-F134 WeakPolarHBondContact CA-O 3.32Å; F125-F134 WeakPolarHBondContact CB-O 3.38Å; F125-A135 HydrophobicContact CB-CB 4.03Å; F125-A157 HydrophobicContact CE2-CB 4.18Å; F125-A157 HydrophobicContact CZ-CB 4.02Å; F125-M159 HydrophobicContact CE1-CG 4.28Å; F125-M159 HydrophobicContact CE1-SD 4.24Å; F125-M159 HydrophobicContact CZ-CG 4.07Å; F125-M159 HydrophobicContact CZ-SD 3.62Å
126W97.8Very high92.8Very high31 Ų3147.5 Ų47.512%0.11722%0.223CC..EExtended strand (participates in β ladder)trans-161.2160-176.168.394.9000110.8E59 R60 F134 K136 R142E59-W126 WeakPolarHBondContact O-CB 3.39Å; R60-W126 HydrophobicContact CG-CB 4.43Å; R60-W126 HydrophobicContact CG-CD2 4.42Å; R60-W126 HydrophobicContact CG-CE3 4.21Å; W126-F134 HydrophobicContact CD2-CB 4.09Å; W126-F134 HydrophobicContact CE3-CB 4.37Å; W126-F134 HydrophobicContact CH2-CB 3.87Å; W126-F134 HydrophobicContact CZ2-CB 3.56Å; W126-F134 HydrophobicContact CZ2-CD2 4.41Å; W126-F134 HydrophobicContact CZ2-CG 4.09Å; W126-F134 HydrophobicContact CZ3-CB 4.26Å; W126-F134 PolarHBondContact N-O 3.33Å; W126-F134 AromaticContact NE1-CD2 3.91Å; W126-F134 PolarHBondContact O-N 2.84Å; W126-K136 HydrophobicContact CH2-CB 4.24Å; W126-K136 HydrophobicContact CZ3-CB 4.05Å; W126-R142 HydrophobicContact CH2-CB 4.18Å
127V97.4Very high93.7Very high4 Ų447.1 Ų47.12%0.02422%0.221CC..EExtended strand (participates in β ladder)trans-105133168.5169.20000109.3L57 G58 F80 R132 L133 V149 V151L57-V127 HydrophobicContact CD2-CG1 4.1Å; G58-V127 WeakPolarHBondContact CA-O 3.25Å; G58-V127 PolarHBondContact N-O 3.38Å; F80-V127 HydrophobicContact CD2-CB 4.42Å; F80-V127 HydrophobicContact CD2-CG2 3.29Å; F80-V127 HydrophobicContact CE2-CB 4.34Å; F80-V127 HydrophobicContact CE2-CG2 3.51Å; F80-V127 HydrophobicContact CG-CG2 4.02Å; F80-V127 HydrophobicContact CZ-CG2 4.38Å; V127-R132 WeakPolarHBondContact CA-O 3.16Å; V127-L133 HydrophobicContact CG2-CB 4.2Å; V127-L133 HydrophobicContact CG2-CD1 4.1Å; V127-V149 HydrophobicContact CG1-CB 4.18Å; V127-V149 HydrophobicContact CG1-CG1 4.22Å; V127-V149 HydrophobicContact CG2-CB 4.24Å; V127-V149 HydrophobicContact CG2-CG1 4.02Å; V127-V149 HydrophobicContact CG2-CG2 4.18Å; V127-V151 HydrophobicContact CG1-CG1 4.16Å
128D94.7Very high94.2Very high26 Ų2649.7 Ų49.714%0.13923%0.232CC..  trans-84.4176.7174.581.5-1.7000112.5R130 G131 R132 F134D128-R130 PolarHBondContact O-N 2.79Å; D128-R130 VanDerWaalsContact O-N 3.16Å; D128-R130 VanDerWaalsContact OD1-CA 3.31Å; D128-R130 WeakPolarHBondContact OD1-CA 3.39Å; D128-R130 WeakPolarHBondContact OD1-CB 3.44Å; D128-R130 PolarHBondContact OD1-N 2.73Å; D128-G131 PolarHBondContact O-N 2.76Å; D128-G131 VanDerWaalsContact O-N 3.13Å; D128-G131 PolarHBondContact OD1-N 1.97Å; D128-R132 PolarHBondContact N-O 2.79Å; D128-R132 WeakPolarHBondContact OD1-CB 3.45Å; D128-R132 PolarHBondContact OD1-N 3.22Å; D128-R132 IonicContact OD1-NE 3.11Å; D128-R132 IonicContact OD2-CZ 3.48Å; D128-R132 VanDerWaalsContact OD2-CZ 3.26Å; D128-R132 IonicContact OD2-NE 2.69Å; D128-R132 PolarHBondContact OD2-NE 3.43Å; D128-R132 IonicContact OD2-NH2 2.66Å; D128-R132 PolarHBondContact OD2-NH2 2.77Å; D128-F134 HydrophobicContact CB-CE2 4.27Å
129R94.8Very high94Very high225 Ų22549.2 Ų49.285%0.84924%0.242SC*.THydrogen-bonded Turntrans-66.4-13.3179.3-63.1-175.5-176.7-179.40.6114
130R94.4Very high93.3Very high198 Ų19846.7 Ų46.775%0.74723%0.231SC*.THydrogen-bonded Turntrans-94.44.8177.5-63.2-176.1172.6-167.2-3.2112.1D128 R132D128-R130 PolarHBondContact O-N 2.79Å; D128-R130 VanDerWaalsContact O-N 3.16Å; D128-R130 VanDerWaalsContact OD1-CA 3.31Å; D128-R130 WeakPolarHBondContact OD1-CA 3.39Å; D128-R130 WeakPolarHBondContact OD1-CB 3.44Å; D128-R130 PolarHBondContact OD1-N 2.73Å; R130-R132 HydrophobicContact CB-CG 4.35Å
131G94Very high92.7Very high2 Ų245.1 Ų45.12%0.02121%0.213CC..SBendtrans75.425-178.400000113.7D128 G148 V149D128-G131 PolarHBondContact O-N 2.76Å; D128-G131 VanDerWaalsContact O-N 3.13Å; D128-G131 PolarHBondContact OD1-N 1.97Å; G131-G148 PolarHBondContact O-N 2.75Å; G131-V149 WeakPolarHBondContact CA-O 3.43Å; G131-V149 WeakPolarHBondContact O-CB 3.37Å; G131-V149 PolarHBondContact O-N 2.92Å
132R96.6Very high92.3Very high67 Ų6749.1 Ų49.125%0.25323%0.225SC..  trans-98.3122.9176.8-61.8-177.8-60.6175.33.4110.4V127 D128 R130 F134 L144 R146 E147V127-R132 WeakPolarHBondContact CA-O 3.16Å; D128-R132 PolarHBondContact N-O 2.79Å; D128-R132 WeakPolarHBondContact OD1-CB 3.45Å; D128-R132 PolarHBondContact OD1-N 3.22Å; D128-R132 IonicContact OD1-NE 3.11Å; D128-R132 IonicContact OD2-CZ 3.48Å; D128-R132 VanDerWaalsContact OD2-CZ 3.26Å; D128-R132 IonicContact OD2-NE 2.69Å; D128-R132 PolarHBondContact OD2-NE 3.43Å; D128-R132 IonicContact OD2-NH2 2.66Å; D128-R132 PolarHBondContact OD2-NH2 2.77Å; R130-R132 HydrophobicContact CB-CG 4.35Å; R132-F134 HydrophobicContact CB-CD2 4.24Å; R132-F134 HydrophobicContact CB-CE2 3.53Å; R132-F134 HydrophobicContact CB-CZ 3.94Å; R132-F134 WeakPolarHBondContact O-CD2 3.46Å; R132-L144 HydrophobicContact CB-CD1 3.73Å; R132-L144 HydrophobicContact CG-CD1 4.25Å; R132-R146 CarbonylContact C-O 3.47Å; R132-R146 WeakPolarHBondContact CA-O 3.48Å; R132-E147 WeakPolarHBondContact CD-OE1 3.32Å; R132-E147 HydrophobicContact CG-CG 4.12Å
133L97.3Very high91.7Very high0 Ų049.8 Ų49.80%023%0.227CC..EExtended strand (participates in β ladder)trans-82.6117.6174.2173.458.1000109.5F80 F125 V127 L145 R146 V149F80-L133 HydrophobicContact CD2-CD1 3.69Å; F80-L133 HydrophobicContact CE2-CD1 3.48Å; F80-L133 VanDerWaalsContact CE2-CD1 3.48Å; F125-L133 HydrophobicContact CD2-CD1 4.22Å; V127-L133 HydrophobicContact CG2-CB 4.2Å; V127-L133 HydrophobicContact CG2-CD1 4.1Å; L133-L145 HydrophobicContact CD2-CB 4.11Å; L133-L145 HydrophobicContact CD2-CD1 4.35Å; L133-L145 HydrophobicContact CG-CB 3.96Å; L133-L145 HydrophobicContact CG-CD1 4.21Å; L133-L145 PolarHBondContact O-N 2.72Å; L133-R146 HydrophobicContact CB-CB 4.08Å; L133-R146 HydrophobicContact CD2-CB 4.21Å; L133-R146 PolarHBondContact N-O 3.48Å; L133-R146 PolarHBondContact O-N 2.97Å; L133-V149 HydrophobicContact CB-CG2 4.19Å
134F96.2Very high91.4Very high12 Ų1253.7 Ų53.75%0.05325%0.247CC..EExtended strand (participates in β ladder)trans-112.3151.6174.6-67.4-80.8000111.6F125 W126 D128 R132 R142 F143 L144F125-F134 CarbonylContact C-O 3.57Å; F125-F134 WeakPolarHBondContact CA-O 3.32Å; F125-F134 WeakPolarHBondContact CB-O 3.38Å; W126-F134 HydrophobicContact CD2-CB 4.09Å; W126-F134 HydrophobicContact CE3-CB 4.37Å; W126-F134 HydrophobicContact CH2-CB 3.87Å; W126-F134 HydrophobicContact CZ2-CB 3.56Å; W126-F134 HydrophobicContact CZ2-CD2 4.41Å; W126-F134 HydrophobicContact CZ2-CG 4.09Å; W126-F134 HydrophobicContact CZ3-CB 4.26Å; W126-F134 PolarHBondContact N-O 3.33Å; W126-F134 AromaticContact NE1-CD2 3.91Å; W126-F134 PolarHBondContact O-N 2.84Å; D128-F134 HydrophobicContact CB-CE2 4.27Å; R132-F134 HydrophobicContact CB-CD2 4.24Å; R132-F134 HydrophobicContact CB-CE2 3.53Å; R132-F134 HydrophobicContact CB-CZ 3.94Å; R132-F134 WeakPolarHBondContact O-CD2 3.46Å; F134-R142 HydrophobicContact CD1-CB 4.47Å; F134-R142 HydrophobicContact CD1-CG 3.97Å; F134-R142 HydrophobicContact CE1-CG 4.31Å; F134-F143 CarbonylContact C-O 3.42Å; F134-F143 WeakPolarHBondContact CA-O 3.48Å; F134-F143 WeakPolarHBondContact CD1-O 3.33Å; F134-L144 HydrophobicContact CD1-CB 4.17Å; F134-L144 HydrophobicContact CD1-CD1 4.18Å; F134-L144 HydrophobicContact CE1-CB 3.85Å; F134-L144 HydrophobicContact CE1-CD1 3.73Å; F134-L144 HydrophobicContact CE1-CG 4.37Å; F134-L144 HydrophobicContact CE2-CD1 4.43Å; F134-L144 HydrophobicContact CZ-CD1 3.87Å
135A95.9Very high91.2Very high0 Ų051.7 Ų51.70%024%0.242CC..EExtended strand (participates in β ladder)trans-127.7158162.400000111.3L112 R124 F125 R142 F143 L145L112-A135 HydrophobicContact CD2-CB 3.66Å; R124-A135 CarbonylContact O-C 3.6Å; R124-A135 WeakPolarHBondContact O-CA 3.42Å; F125-A135 HydrophobicContact CB-CB 4.03Å; A135-R142 CarbonylContact O-C 3.54Å; A135-R142 VanDerWaalsContact O-CA 3.25Å; A135-R142 WeakPolarHBondContact O-CA 3.25Å; A135-F143 PolarHBondContact N-O 3.02Å; A135-F143 PolarHBondContact O-N 2.58Å; A135-L145 HydrophobicContact CB-CD1 3.49Å; A135-L145 VanDerWaalsContact CB-CD1 3.49Å; A135-L145 HydrophobicContact CB-CD2 4.49Å; A135-L145 HydrophobicContact CB-CG 3.99Å
136K92.8Very high91Very high61 Ų6155.8 Ų55.827%0.26526%0.257SS..EExtended strand (participates in β ladder)trans-147132.2173.6170.2168.1169.7137.40108.4V123 R124 W126 N138 A139 G140V123-K136 CarbonylContact C-O 3.55Å; R124-K136 PolarHBondContact N-O 3.1Å; R124-K136 PolarHBondContact O-N 2.7Å; W126-K136 HydrophobicContact CH2-CB 4.24Å; W126-K136 HydrophobicContact CZ3-CB 4.05Å; K136-N138 WeakPolarHBondContact CE-O 3.31Å; K136-A139 PolarHBondContact NZ-O 3.11Å; K136-A139 VanDerWaalsContact NZ-O 3.16Å; K136-G140 VanDerWaalsContact CD-O 3.31Å; K136-G140 WeakPolarHBondContact CD-O 3.41Å; K136-G140 WeakPolarHBondContact CE-O 3.42Å; K136-G140 WeakPolarHBondContact CG-O 3.31Å; K136-G140 PolarHBondContact NZ-O 3.46Å
137V91Very high90.8Very high11 Ų1160 Ų607%0.06728%0.278CS..EExtended strand (participates in β ladder)trans-103.5127.3174.8-1720000109.4C116 A117 D121 V123 A139 G140 F143C116-V137 WeakPolarHBondContact O-CB 3.22Å; C116-V137 WeakPolarHBondContact O-CG1 3.41Å; C116-V137 WeakPolarHBondContact O-CG2 3Å; A117-V137 HydrophobicContact CB-CG1 4.41Å; A117-V137 HydrophobicContact CB-CG2 4.27Å; D121-V137 HydrophobicContact CB-CG1 3.72Å; V123-V137 HydrophobicContact CG1-CG2 4.46Å; V123-V137 HydrophobicContact CG2-CG2 4.1Å; V137-A139 PolarHBondContact O-N 2.96Å; V137-G140 WeakPolarHBondContact O-CA 3.46Å; V137-G140 PolarHBondContact O-N 2.75Å; V137-F143 HydrophobicContact CG2-CE2 4.27Å
138N90.4Very high90.6Very high67 Ų6762.3 Ų62.336%0.35830%0.303SS..THydrogen-bonded Turntrans48-131-177.4-61.2-34.1000112.3D121 V122 K136 G140D121-N138 VanDerWaalsContact CG-ND2 3.26Å; D121-N138 PolarHBondContact OD1-ND2 2.86Å; V122-N138 PolarHBondContact N-OD1 2.84Å; V122-N138 PolarHBondContact O-N 2.91Å; K136-N138 WeakPolarHBondContact CE-O 3.31Å; N138-G140 VanDerWaalsContact C-N 3.31Å
139A81.6Confident90.7Very high85 Ų8561.2 Ų61.270%0.70230%0.298SS*.THydrogen-bonded Turntrans-85.32.517400000113.5K136 V137K136-A139 PolarHBondContact NZ-O 3.11Å; K136-A139 VanDerWaalsContact NZ-O 3.16Å; V137-A139 PolarHBondContact O-N 2.96Å
140G76.6Confident90.6Very high21 Ų2152.8 Ų52.822%0.21627%0.272CS..SBendtrans-66.5-173.7-177.300000114.9K136 V137 N138K136-G140 VanDerWaalsContact CD-O 3.31Å; K136-G140 WeakPolarHBondContact CD-O 3.41Å; K136-G140 WeakPolarHBondContact CE-O 3.42Å; K136-G140 WeakPolarHBondContact CG-O 3.31Å; K136-G140 PolarHBondContact NZ-O 3.46Å; V137-G140 WeakPolarHBondContact O-CA 3.46Å; V137-G140 PolarHBondContact O-N 2.75Å; N138-G140 VanDerWaalsContact C-N 3.31Å
141C76Confident90.5Very high14 Ų1446.3 Ų46.310%0.09525%0.254CS..  trans-69.7159.2178.1-69.40000112.2C225C141-C225 WeakPolarHBondContact CA-SG 3.34Å; C141-C225 HydrophobicContact CB-CB 3.4Å; C141-C225 WeakPolarHBondContact CB-SG 3.42Å; C141-C225 PolarHBondContact N-SG 2.92Å; C141-C225 WeakPolarHBondContact SG-CB 3.48Å; C141-C225 CovalentContact SG-SG 1.97Å; C141-C225 PolarHBondContact SG-SG 3.32Å
142R84.2Confident90.3Very high117 Ų11749.8 Ų49.844%0.44229%0.29SS..EExtended strand (participates in β ladder)trans-73.6142.2161.589.2-176.783.2-1756.2108.9W126 F134 A135W126-R142 HydrophobicContact CH2-CB 4.18Å; F134-R142 HydrophobicContact CD1-CB 4.47Å; F134-R142 HydrophobicContact CD1-CG 3.97Å; F134-R142 HydrophobicContact CE1-CG 4.31Å; A135-R142 CarbonylContact O-C 3.54Å; A135-R142 VanDerWaalsContact O-CA 3.25Å; A135-R142 WeakPolarHBondContact O-CA 3.25Å
143F82.9Confident90.1Very high31 Ų3148.4 Ų48.414%0.13629%0.293CS..EExtended strand (participates in β ladder)trans-110.2130.6169.2-48.5-71000107.3P113 F134 A135 V137 L145P113-F143 HydrophobicContact CG-CG 4.47Å; F134-F143 CarbonylContact C-O 3.42Å; F134-F143 WeakPolarHBondContact CA-O 3.48Å; F134-F143 WeakPolarHBondContact CD1-O 3.33Å; A135-F143 PolarHBondContact N-O 3.02Å; A135-F143 PolarHBondContact O-N 2.58Å; V137-F143 HydrophobicContact CG2-CE2 4.27Å; F143-L145 HydrophobicContact CB-CD2 4.38Å; F143-L145 PolarHBondContact O-N 2.75Å
144L90.8Very high90Very high83 Ų8352.1 Ų52.144%0.43532%0.317SS..EExtended strand (participates in β ladder)trans-77.1116.4161.8178.564.4000106.8R132 F134 E147R132-L144 HydrophobicContact CB-CD1 3.73Å; R132-L144 HydrophobicContact CG-CD1 4.25Å; F134-L144 HydrophobicContact CD1-CB 4.17Å; F134-L144 HydrophobicContact CD1-CD1 4.18Å; F134-L144 HydrophobicContact CE1-CB 3.85Å; F134-L144 HydrophobicContact CE1-CD1 3.73Å; F134-L144 HydrophobicContact CE1-CG 4.37Å; F134-L144 HydrophobicContact CE2-CD1 4.43Å; F134-L144 HydrophobicContact CZ-CD1 3.87Å; L144-E147 HydrophobicContact CD1-CG 4.12Å; L144-E147 HydrophobicContact CD2-CG 3.91Å; L144-E147 HydrophobicContact CG-CG 4.37Å
145L92.1Very high90.1Very high31 Ų3151.8 Ų51.816%0.16232%0.316CS..EExtended strand (participates in β ladder)trans-93.4-40179.7-69.1-179.8000111.3V78 A110 L112 L133 A135 F143V78-L145 HydrophobicContact CG2-CD1 3.53Å; A110-L145 HydrophobicContact CB-CB 3.87Å; A110-L145 HydrophobicContact CB-CD2 4.38Å; L112-L145 HydrophobicContact CD2-CD1 4.16Å; L112-L145 HydrophobicContact CD2-CD2 4.44Å; L133-L145 HydrophobicContact CD2-CB 4.11Å; L133-L145 HydrophobicContact CD2-CD1 4.35Å; L133-L145 HydrophobicContact CG-CB 3.96Å; L133-L145 HydrophobicContact CG-CD1 4.21Å; L133-L145 PolarHBondContact O-N 2.72Å; A135-L145 HydrophobicContact CB-CD1 3.49Å; A135-L145 VanDerWaalsContact CB-CD1 3.49Å; A135-L145 HydrophobicContact CB-CD2 4.49Å; A135-L145 HydrophobicContact CB-CG 3.99Å; F143-L145 HydrophobicContact CB-CD2 4.38Å; F143-L145 PolarHBondContact O-N 2.75Å
146R93.1Very high90.2Very high86 Ų8652.9 Ų52.933%0.32532%0.32SS..EExtended strand (participates in β ladder)trans-157.1153.1-177.4-158154.8-160.5144.2-5.7112.7E102 A109 R132 L133E102-R146 IonicContact OE1-CZ 2.87Å; E102-R146 IonicContact OE1-NE 3.85Å; E102-R146 PolarHBondContact OE1-NE 2.74Å; E102-R146 IonicContact OE1-NH1 3.24Å; E102-R146 PolarHBondContact OE1-NH1 3.27Å; E102-R146 IonicContact OE1-NH2 2.87Å; E102-R146 PolarHBondContact OE1-NH2 3.34Å; E102-R146 IonicContact OE2-CZ 3.04Å; E102-R146 IonicContact OE2-NH1 2.76Å; E102-R146 PolarHBondContact OE2-NH1 3.48Å; E102-R146 IonicContact OE2-NH2 2.66Å; E102-R146 PolarHBondContact OE2-NH2 2.73Å; A109-R146 PolarHBondContact O-NH1 2.94Å; R132-R146 CarbonylContact C-O 3.47Å; R132-R146 WeakPolarHBondContact CA-O 3.48Å; L133-R146 HydrophobicContact CB-CB 4.08Å; L133-R146 HydrophobicContact CD2-CB 4.21Å; L133-R146 PolarHBondContact N-O 3.48Å; L133-R146 PolarHBondContact O-N 2.97Å
147E94.1Very high90.5Very high118 Ų11850 Ų5055%0.55131%0.307SS*.SBendtrans-116.5167170.7-58.2-160.1138.700110.8R132 L144R132-E147 WeakPolarHBondContact CD-OE1 3.32Å; R132-E147 HydrophobicContact CG-CG 4.12Å; L144-E147 HydrophobicContact CD1-CG 4.12Å; L144-E147 HydrophobicContact CD2-CG 3.91Å; L144-E147 HydrophobicContact CG-CG 4.37Å
148G93.4Very high90.8Very high54 Ų5449.4 Ų49.456%0.55730%0.304SS*.  trans81.816.4175.700000114.7G131 P150G131-G148 PolarHBondContact O-N 2.75Å; G148-P150 WeakPolarHBondContact O-CD 3.32Å
149V96.9Very high91.2Very high3 Ų346.2 Ų46.22%0.01829%0.287CS..  trans-69115.4172.3-172.70000109W108 V127 G131 L133 V151 L155W108-V149 HydrophobicContact CB-CG2 3.77Å; W108-V149 HydrophobicContact CD2-CG1 4.32Å; W108-V149 HydrophobicContact CE3-CG1 4.13Å; W108-V149 HydrophobicContact CG-CG2 4.04Å; V127-V149 HydrophobicContact CG1-CB 4.18Å; V127-V149 HydrophobicContact CG1-CG1 4.22Å; V127-V149 HydrophobicContact CG2-CB 4.24Å; V127-V149 HydrophobicContact CG2-CG1 4.02Å; V127-V149 HydrophobicContact CG2-CG2 4.18Å; G131-V149 WeakPolarHBondContact CA-O 3.43Å; G131-V149 WeakPolarHBondContact O-CB 3.37Å; G131-V149 PolarHBondContact O-N 2.92Å; L133-V149 HydrophobicContact CB-CG2 4.19Å; V149-V151 PolarHBondContact O-N 2.8Å; V149-V151 VanDerWaalsContact O-N 3.1Å; V149-L155 HydrophobicContact CG1-CD1 3.93Å; V149-L155 HydrophobicContact CG1-CD2 4.44Å
150P93.6Very high92Very high48 Ų4842.2 Ų42.231%0.31225%0.254SS..  trans-69.6112.3-173.6-23.437.1000111.7R82 W108 G148R82-P150 VanDerWaalsContact NH2-CB 3.33Å; R82-P150 PolarHBondContact NH2-O 2.89Å; W108-P150 HydrophobicContact CH2-CG 3.66Å; W108-P150 HydrophobicContact CZ2-CG 3.42Å; W108-P150 VanDerWaalsContact CZ2-CG 3.42Å; W108-P150 HydrophobicContact CZ3-CG 4.48Å; G148-P150 WeakPolarHBondContact O-CD 3.32Å
151V91.1Very high92.9Very high61 Ų6141.2 Ų41.237%0.3724%0.243SC..  trans-83.9147175.5-59.20000110.5L57 V127 V149L57-V151 HydrophobicContact CD1-CB 3.98Å; L57-V151 HydrophobicContact CD1-CG1 4.27Å; L57-V151 HydrophobicContact CD2-CB 4.15Å; L57-V151 HydrophobicContact CD2-CG1 3.69Å; V127-V151 HydrophobicContact CG1-CG1 4.16Å; V149-V151 PolarHBondContact O-N 2.8Å; V149-V151 VanDerWaalsContact O-N 3.1Å
152G89.4Confident93.6Very high75 Ų7542.4 Ų42.477%0.77325%0.246SC*.SBendtrans117-3.9177.200000115.5
153A92.5Very high93.7Very high39 Ų3936.9 Ų36.932%0.32223%0.225SC..SBendtrans-128.9164.8167.100000109.6
154P96.1Very high93.8Very high78 Ų7837.4 Ų37.451%0.50623%0.231SC..  trans-54.8139.6173.1-25.736000112P54 W156P54-P154 HydrophobicContact CB-CB 4.04Å; P54-P154 HydrophobicContact CG-CB 4.09Å; P154-W156 HydrophobicContact CB-CE3 4.47Å; P154-W156 HydrophobicContact CB-CH2 3.9Å; P154-W156 HydrophobicContact CB-CZ3 3.7Å
155L97.8Very high93.9Very high4 Ų433.6 Ų33.62%0.02121%0.212CC..BIsolated β-bridgetrans-125.2135.1174.6-70.3172.5000108.5P54 V55 L57 F80 T81 R82 V149P54-L155 CarbonylContact C-O 3.53Å; P54-L155 VanDerWaalsContact CA-O 3.3Å; P54-L155 WeakPolarHBondContact CA-O 3.48Å; V55-L155 PolarHBondContact N-O 3.17Å; L57-L155 HydrophobicContact CD2-CD1 4.36Å; F80-L155 HydrophobicContact CB-CB 4.31Å; F80-L155 HydrophobicContact CB-CD1 4.41Å; F80-L155 HydrophobicContact CB-CD2 4.38Å; F80-L155 HydrophobicContact CD1-CB 4.12Å; T81-L155 CarbonylContact O-C 3.42Å; T81-L155 WeakPolarHBondContact O-CA 3.16Å; R82-L155 HydrophobicContact CG-CD2 3.77Å; V149-L155 HydrophobicContact CG1-CD1 3.93Å; V149-L155 HydrophobicContact CG1-CD2 4.44Å
156W98.4Very high94Very high23 Ų2332.8 Ų32.89%0.08721%0.207CC..EExtended strand (participates in β ladder)trans-99.6145169.1-72.1-109.5000109R53 P54 F80 T81 D84 P85 P154R53-W156 VanDerWaalsContact C-CD1 3.4Å; P54-W156 HydrophobicContact CG-CD2 4.26Å; P54-W156 HydrophobicContact CG-CH2 4.01Å; P54-W156 HydrophobicContact CG-CZ2 3.53Å; F80-W156 CarbonylContact C-O 3.52Å; F80-W156 WeakPolarHBondContact CA-O 3.44Å; T81-W156 HydrophobicContact CG2-CB 4.09Å; T81-W156 PolarHBondContact N-O 3.26Å; T81-W156 PolarHBondContact O-N 2.97Å; D84-W156 HydrophobicContact CB-CH2 3.77Å; D84-W156 HydrophobicContact CB-CZ2 3.77Å; D84-W156 HydrophobicContact CB-CZ3 4.35Å; P85-W156 VanDerWaalsContact CD-NE1 3.3Å; P85-W156 HydrophobicContact CG-CB 4.33Å; P85-W156 HydrophobicContact CG-CG 4.02Å; P154-W156 HydrophobicContact CB-CE3 4.47Å; P154-W156 HydrophobicContact CB-CH2 3.9Å; P154-W156 HydrophobicContact CB-CZ3 3.7Å
157A98.4Very high94.2Very high0 Ų029.2 Ų29.20%019%0.194CC..EExtended strand (participates in β ladder)trans-70.9137170.200000108.8F50 S51 V55 V61 F80 F125 M159F50-A157 CarbonylContact C-O 3.58Å; F50-A157 VanDerWaalsContact CA-O 3.26Å; F50-A157 WeakPolarHBondContact CA-O 3.42Å; S51-A157 PolarHBondContact N-O 3.35Å; S51-A157 PolarHBondContact OG-N 2.86Å; V55-A157 HydrophobicContact CG2-CB 4Å; V61-A157 HydrophobicContact CG1-CB 4.36Å; V61-A157 HydrophobicContact CG2-CB 3.88Å; F80-A157 HydrophobicContact CE1-CB 4.26Å; F125-A157 HydrophobicContact CE2-CB 4.18Å; F125-A157 HydrophobicContact CZ-CB 4.02Å; A157-M159 HydrophobicContact CB-SD 3.87Å
158V98.6Very high94.4Very high0 Ų023.6 Ų23.60%017%0.168CC..EExtended strand (participates in β ladder)trans-124.5137.9171.8630000109I48 V49 F50 G79 T81 V97 L101 T107I48-V158 HydrophobicContact CG2-CG2 3.97Å; V49-V158 WeakPolarHBondContact O-CA 3.31Å; F50-V158 HydrophobicContact CD1-CB 3.93Å; F50-V158 HydrophobicContact CD1-CG2 3.81Å; F50-V158 HydrophobicContact CE1-CB 4.02Å; F50-V158 HydrophobicContact CE1-CG2 3.53Å; F50-V158 HydrophobicContact CZ-CG2 4.15Å; G79-V158 PolarHBondContact N-O 3Å; G79-V158 PolarHBondContact O-N 3Å; T81-V158 HydrophobicContact CG2-CB 4.31Å; V97-V158 HydrophobicContact CG1-CG1 4.41Å; V97-V158 HydrophobicContact CG1-CG2 4.37Å; V97-V158 HydrophobicContact CG2-CG2 3.85Å; L101-V158 HydrophobicContact CD2-CG2 4.24Å; T107-V158 HydrophobicContact CG2-CG1 4Å
159M98.4Very high94.6Very high0 Ų022.7 Ų22.70%015%0.15CC..EExtended strand (participates in β ladder)trans-134.9152.6177.7-61.775.475.800109.3F20 I48 V49 L63 L76 R77 V78 F125 A157 I168 L170F20-M159 HydrophobicContact CD1-CE 3.9Å; F20-M159 HydrophobicContact CE1-CE 3.37Å; F20-M159 HydrophobicContact CZ-CE 4.42Å; I48-M159 CarbonylContact C-O 3.59Å; I48-M159 WeakPolarHBondContact CA-O 3.47Å; V49-M159 HydrophobicContact CG2-CB 3.78Å; V49-M159 HydrophobicContact CG2-CE 4.14Å; V49-M159 PolarHBondContact N-O 3.1Å; V49-M159 PolarHBondContact O-N 3.09Å; L63-M159 HydrophobicContact CD1-CG 3.92Å; L63-M159 HydrophobicContact CD2-CE 4.3Å; L76-M159 HydrophobicContact CD1-CB 4.48Å; R77-M159 CarbonylContact O-C 3.54Å; R77-M159 VanDerWaalsContact O-CA 3.29Å; R77-M159 WeakPolarHBondContact O-CA 3.4Å; V78-M159 HydrophobicContact CG1-CG 4.18Å; F125-M159 HydrophobicContact CE1-CG 4.28Å; F125-M159 HydrophobicContact CE1-SD 4.24Å; F125-M159 HydrophobicContact CZ-CG 4.07Å; F125-M159 HydrophobicContact CZ-SD 3.62Å; A157-M159 HydrophobicContact CB-SD 3.87Å; M159-I168 HydrophobicContact CB-CD1 4.23Å; M159-L170 HydrophobicContact CE-CD1 4.44Å
160D97.5Very high94.6Very high0 Ų022.9 Ų22.90%015%0.15CC..EExtended strand (participates in β ladder)trans-121.3111.6173.7-160.6-10.5000108.7L76 R77 V97 Y162L76-D160 WeakPolarHBondContact CD1-O 3.49Å; R77-D160 HydrophobicContact CB-CB 3.78Å; R77-D160 HydrophobicContact CG-CB 4.14Å; R77-D160 IonicContact CZ-OD2 3.15Å; R77-D160 PolarHBondContact N-O 3.38Å; R77-D160 IonicContact NH1-OD2 2.77Å; R77-D160 PolarHBondContact NH1-OD2 2.98Å; R77-D160 PolarHBondContact O-N 2.88Å; V97-D160 HydrophobicContact CB-CB 4.04Å; V97-D160 HydrophobicContact CG2-CB 3.64Å; V97-D160 PolarHBondContact N-OD2 2.86Å; D160-Y162 PolarHBondContact O-N 2.87Å
161V96.3Very high94.7Very high0 Ų022.3 Ų22.30%015%0.145CC..  trans-74.373.7174.5-172.40000108.4A38 R40 G47 T165 I168A38-V161 HydrophobicContact CB-CG2 4.43Å; R40-V161 HydrophobicContact CB-CB 4.28Å; R40-V161 HydrophobicContact CB-CG1 3.79Å; R40-V161 WeakPolarHBondContact CD-O 3.34Å; R40-V161 PolarHBondContact NE-O 2.96Å; G47-V161 PolarHBondContact O-N 3.26Å; V161-T165 HydrophobicContact CG1-CG2 4.38Å; V161-T165 WeakPolarHBondContact CG1-O 3.44Å; V161-I168 HydrophobicContact CG2-CD1 3.79Å; V161-I168 HydrophobicContact CG2-CG1 3.88Å
162Y90.9Very high94.4Very high40 Ų4022.2 Ų22.216%0.15714%0.142CC..  trans-111.2153.3-165.6173.3-93.5000113F44 R77 F96 D160 T164 T165F44-Y162 HydrophobicContact CD2-CE2 4.07Å; F44-Y162 WeakPolarHBondContact O-CD2 3.46Å; F44-Y162 WeakPolarHBondContact O-CE2 3.45Å; R77-Y162 VanDerWaalsContact NH2-CZ 3.26Å; F96-Y162 AromaticContact CD1-CD2 3.85Å; F96-Y162 HydrophobicContact CD1-CD2 3.85Å; F96-Y162 AromaticContact CD1-CE2 3.85Å; F96-Y162 HydrophobicContact CD1-CE2 3.85Å; F96-Y162 AromaticContact CE1-CD2 3.83Å; F96-Y162 HydrophobicContact CE1-CD2 3.83Å; F96-Y162 AromaticContact CE1-CE2 3.52Å; F96-Y162 HydrophobicContact CE1-CE2 3.52Å; D160-Y162 PolarHBondContact O-N 2.87Å; Y162-T164 PolarHBondContact O-N 3.08Å; Y162-T165 WeakPolarHBondContact O-CB 3.32Å; Y162-T165 PolarHBondContact O-N 2.92Å; Y162-T165 VanDerWaalsContact O-N 3.14Å
163G85.2Confident93.2Very high0 Ų022.2 Ų22.20%013%0.128CC..THydrogen-bonded Turntrans62.2-128.5170.600000111.8R40 T165R40-G163 PolarHBondContact NH2-O 2.96Å; G163-T165 PolarHBondContact O-N 3.44Å
164T85.7Confident91.7Very high43 Ų4324.5 Ų24.526%0.26414%0.138SC..THydrogen-bonded Turntrans-64-26179.362.20000112.6E68 E69 W72 G74 Y162 K166E68-T164 CarbonylContact C-O 3.49Å; E68-T164 WeakPolarHBondContact CA-O 3.35Å; E68-T164 WeakPolarHBondContact CB-O 3.25Å; E69-T164 PolarHBondContact N-O 3.02Å; W72-T164 WeakPolarHBondContact O-CG2 3.25Å; G74-T164 PolarHBondContact O-N 3.23Å; G74-T164 PolarHBondContact O-OG1 3.22Å; Y162-T164 PolarHBondContact O-N 3.08Å; T164-K166 PolarHBondContact O-N 2.83Å
165T91.9Very high89.9Confident3 Ų324.3 Ų24.32%0.01814%0.144CC..EExtended strand (participates in β ladder)trans-74.9120.2-179.2-55.70000110.3L76 V161 Y162 G163 I168L76-T165 HydrophobicContact CB-CG2 4.2Å; L76-T165 PolarHBondContact N-OG1 2.82Å; V161-T165 HydrophobicContact CG1-CG2 4.38Å; V161-T165 WeakPolarHBondContact CG1-O 3.44Å; Y162-T165 WeakPolarHBondContact O-CB 3.32Å; Y162-T165 PolarHBondContact O-N 2.92Å; Y162-T165 VanDerWaalsContact O-N 3.14Å; G163-T165 PolarHBondContact O-N 3.44Å; T165-I168 HydrophobicContact CG2-CG2 3.63Å
166K94.1Very high87.5Confident13 Ų1328.9 Ų28.96%0.05718%0.176CC..EExtended strand (participates in β ladder)trans-107.6-32.1-177.8-164.968.3164.6-171.80112.9H39 R40 R41 R67 E69 T164H39-K166 WeakPolarHBondContact CA-O 3.33Å; R40-K166 PolarHBondContact N-O 3.31Å; R40-K166 VanDerWaalsContact O-CD 3.26Å; R40-K166 WeakPolarHBondContact O-CD 3.29Å; R40-K166 WeakPolarHBondContact O-CE 3.2Å; R40-K166 PolarHBondContact O-NZ 2.9Å; R41-K166 PolarHBondContact O-NZ 3.38Å; R41-K166 VanDerWaalsContact O-NZ 3.12Å; R67-K166 HydrophobicContact CB-CB 4.16Å; R67-K166 HydrophobicContact CG-CB 4.08Å; R67-K166 HydrophobicContact CG-CG 4.39Å; R67-K166 WeakPolarHBondContact O-CB 3.42Å; R67-K166 PolarHBondContact O-N 2.95Å; E69-K166 HydrophobicContact CB-CB 4.38Å; E69-K166 HydrophobicContact CB-CD 4.19Å; E69-K166 VanDerWaalsContact CD-NZ 3.31Å; E69-K166 IonicContact OE1-NZ 3.26Å; E69-K166 PolarHBondContact OE1-NZ 2.98Å; E69-K166 VanDerWaalsContact OE1-NZ 3.15Å; E69-K166 WeakPolarHBondContact OE2-CD 3.45Å; E69-K166 WeakPolarHBondContact OE2-CE 3.49Å; E69-K166 IonicContact OE2-NZ 2.94Å; E69-K166 PolarHBondContact OE2-NZ 2.95Å; T164-K166 PolarHBondContact O-N 2.83Å
167T97.5Very high84.9Confident11 Ų1138.9 Ų38.97%0.06721%0.213CC..EExtended strand (participates in β ladder)trans-147.3133.6-177.2-51.80000111.9T37 A38 H39 L66 R67T37-T167 HydrophobicContact CG2-CG2 3.61Å; A38-T167 WeakPolarHBondContact O-CA 3.48Å; A38-T167 WeakPolarHBondContact O-CG2 3.19Å; H39-T167 HydrophobicContact CB-CG2 4.17Å; H39-T167 PolarHBondContact CD2-OG1 2.92Å; L66-T167 HydrophobicContact CB-CG2 3.89Å; L66-T167 HydrophobicContact CD1-CG2 4.05Å; L66-T167 HydrophobicContact CG-CG2 4.45Å; L66-T167 PolarHBondContact N-O 3.02Å; R67-T167 PolarHBondContact N-O 2.89Å; R67-T167 PolarHBondContact O-N 3.16Å; R67-T167 VanDerWaalsContact O-N 3.14Å
168I98.1Very high82.2Confident0 Ų045.9 Ų45.90%025%0.25CS..EExtended strand (participates in β ladder)trans-129.2151.4175.860.1171.4000111F20 T37 A38 V49 L63 R64 L76 M159 V161 T165F20-I168 HydrophobicContact CE1-CD1 4.07Å; F20-I168 HydrophobicContact CZ-CD1 3.89Å; F20-I168 HydrophobicContact CZ-CG1 3.89Å; T37-I168 WeakPolarHBondContact CA-O 2.98Å; A38-I168 HydrophobicContact CB-CG1 4.13Å; A38-I168 PolarHBondContact N-O 2.85Å; A38-I168 PolarHBondContact O-N 2.77Å; V49-I168 HydrophobicContact CG2-CD1 4.42Å; L63-I168 HydrophobicContact CD1-CD1 4.45Å; L63-I168 HydrophobicContact CD2-CD1 4.38Å; R64-I168 CarbonylContact O-C 3.49Å; R64-I168 WeakPolarHBondContact O-CA 3.41Å; L76-I168 HydrophobicContact CD1-CD1 4.22Å; L76-I168 HydrophobicContact CD1-CG2 4.18Å; L76-I168 HydrophobicContact CD2-CG2 4.23Å; M159-I168 HydrophobicContact CB-CD1 4.23Å; V161-I168 HydrophobicContact CG2-CD1 3.79Å; V161-I168 HydrophobicContact CG2-CG1 3.88Å; T165-I168 HydrophobicContact CG2-CG2 3.63Å
169E98.2Very high79.4Confident36 Ų3651.7 Ų51.717%0.16829%0.288CS..EExtended strand (participates in β ladder)trans-125.4129176.9175.9-173.2-147.400110.7C36 L63 R64 L66 L171C36-E169 CarbonylContact O-C 3.55Å; C36-E169 VanDerWaalsContact O-CA 3.22Å; C36-E169 WeakPolarHBondContact O-CA 3.5Å; L63-E169 CarbonylContact C-O 3.53Å; L63-E169 WeakPolarHBondContact CA-O 3.4Å; R64-E169 HydrophobicContact CB-CB 4.42Å; R64-E169 PolarHBondContact N-O 2.94Å; R64-E169 IonicContact NH1-OE2 3.33Å; R64-E169 PolarHBondContact O-N 2.95Å; L66-E169 HydrophobicContact CD1-CB 3.75Å; L66-E169 HydrophobicContact CD2-CB 4.47Å; L66-E169 HydrophobicContact CG-CB 4.06Å; E169-L171 HydrophobicContact CG-CD2 4.02Å; E169-L171 WeakPolarHBondContact OE2-CD2 3.5Å
170L97.7Very high76.7Confident7 Ų757.7 Ų57.74%0.03732%0.324CS..EExtended strand (participates in β ladder)trans-76.5119.9167.7-86167.9000110L18 F20 C36 V61 L63 M159L18-L170 HydrophobicContact CB-CD2 4.46Å; L18-L170 HydrophobicContact CD2-CD2 3.89Å; L18-L170 HydrophobicContact CG-CD1 4.45Å; L18-L170 HydrophobicContact CG-CD2 4.48Å; F20-L170 HydrophobicContact CD1-CD1 3.68Å; F20-L170 HydrophobicContact CD1-CG 4.46Å; F20-L170 HydrophobicContact CD2-CD1 4.06Å; F20-L170 HydrophobicContact CE1-CD1 3.65Å; F20-L170 HydrophobicContact CE1-CG 3.95Å; F20-L170 HydrophobicContact CE2-CB 4.35Å; F20-L170 HydrophobicContact CE2-CD1 4.01Å; F20-L170 HydrophobicContact CE2-CG 4.08Å; F20-L170 HydrophobicContact CG-CD1 3.89Å; F20-L170 HydrophobicContact CZ-CB 4.4Å; F20-L170 HydrophobicContact CZ-CD1 3.8Å; F20-L170 HydrophobicContact CZ-CG 3.71Å; C36-L170 PolarHBondContact O-N 3.19Å; V61-L170 HydrophobicContact CG1-CD2 3.64Å; L63-L170 HydrophobicContact CD2-CD2 3.47Å; L63-L170 VanDerWaalsContact CD2-CD2 3.47Å; L63-L170 HydrophobicContact CD2-CG 3.75Å; M159-L170 HydrophobicContact CE-CD1 4.44Å
171L95.1Very high73.6Confident36 Ų3661.5 Ų61.519%0.18836%0.356CS..  trans-93.4137.5177.5-59-177.2000110.8V62 R64 V122 E169 P173V62-L171 HydrophobicContact CB-CB 4.16Å; V62-L171 HydrophobicContact CG1-CB 3.94Å; V62-L171 HydrophobicContact CG1-CD1 3.96Å; V62-L171 HydrophobicContact CG1-CG 4.34Å; V62-L171 PolarHBondContact O-N 3.16Å; R64-L171 HydrophobicContact CB-CD1 4.14Å; R64-L171 HydrophobicContact CB-CD2 4.33Å; R64-L171 HydrophobicContact CB-CG 4.27Å; V122-L171 HydrophobicContact CG1-CD1 4.09Å; V122-L171 HydrophobicContact CG2-CD1 4.22Å; E169-L171 HydrophobicContact CG-CD2 4.02Å; E169-L171 WeakPolarHBondContact OE2-CD2 3.5Å; L171-P173 VanDerWaalsContact O-CD 3.29Å; L171-P173 WeakPolarHBondContact O-CD 3.42Å
172D83.7Confident70.7Confident58 Ų5869.9 Ų69.931%0.3140%0.397SS..  trans-75.7115.4168.9-177.9-3.7000109.9A17 T174 A175A17-D172 HydrophobicContact CB-CB 3.98Å; D172-T174 PolarHBondContact O-N 3.35Å; D172-T174 PolarHBondContact OD1-N 2.75Å; D172-T174 PolarHBondContact OD1-OG1 2.66Å; D172-A175 HydrophobicContact CB-CB 3.82Å; D172-A175 PolarHBondContact O-N 2.69Å
173P65.5Low68.4Low75 Ų7572.8 Ų72.849%0.48742%0.421SS..SBendtrans-60.8-27.5176.6-19.432.5000113V62 L171 S176V62-P173 HydrophobicContact CG2-CG 4.18Å; L171-P173 VanDerWaalsContact O-CD 3.29Å; L171-P173 WeakPolarHBondContact O-CD 3.42Å; P173-S176 PolarHBondContact O-OG 2.73Å
174T61.4Low65.9Low87 Ų8783.7 Ų83.753%0.53446%0.462SS..SBendtrans-88.5-18.9-175.533.90000114.6D172 S176D172-T174 PolarHBondContact O-N 3.35Å; D172-T174 PolarHBondContact OD1-N 2.75Å; D172-T174 PolarHBondContact OD1-OG1 2.66Å; T174-S176 PolarHBondContact O-N 3.06Å
175A57.8Low63.4Low75 Ų7587 Ų8762%0.6248%0.478SS*.THydrogen-bonded Turntrans-70.42.4177.900000114.5D172 R177D172-A175 HydrophobicContact CB-CB 3.82Å; D172-A175 PolarHBondContact O-N 2.69Å; A175-R177 PolarHBondContact O-N 3.13Å
176S46.3Very low61Low99 Ų9994 Ų9469%0.69252%0.515SS*.THydrogen-bonded Turntrans-81.918.3-179.548.90000114.8P173 T174 L178P173-S176 PolarHBondContact O-OG 2.73Å; T174-S176 PolarHBondContact O-N 3.06Å; S176-L178 PolarHBondContact O-N 3.03Å
177R44.8Very low58.3Low234 Ų234103.5 Ų103.588%0.88355%0.55SS**  trans-95.373.8172.4-66.8-172175.1-170-1.4112.6A175A175-R177 PolarHBondContact O-N 3.13Å
178L40.9Very low55.4Low147 Ų147110 Ų11077%0.7759%0.585SS**  trans77.6157146.7-70.3170.6000122.1S176S176-L178 PolarHBondContact O-N 3.03Å
179P41.1Very low52.3Low122 Ų122119.2 Ų119.279%0.79263%0.625SS**  cis-128.2161.320.329.6-6.8000120.6
180T40.3Very low49.5Very low125 Ų125122.4 Ų122.477%0.76766%0.657SS**  trans-32.9150.5167.5-18.20000115.3
181A33.3Very low46.6Very low80 Ų80127.8 Ų127.866%0.66169%0.69SS**  cis-154.2153.227.700000109.7
182M34.2Very low44.1Very low177 Ų177130.3 Ų130.387%0.87272%0.716SS**  -138.2152.782.2-78.9-66.4-148.600113W184M182-W184 PolarHBondContact O-N 3.35Å
183P43.3Very low42.3Very low100 Ų100132.1 Ų132.165%0.64972%0.723SS**  trans-84.7109.9-177.712.85.2000111
184W34.1Very low41.6Very low230 Ų230133.1 Ų133.187%0.87173%0.729SS**  trans-98.398.8145.1167.2-88.3000106.7M182M182-W184 PolarHBondContact O-N 3.35Å
185D32.8Very low41Very low111 Ų111137.4 Ų137.459%0.59474%0.741SS**  trans-69140174.2-90.1-54000111.9
186L40.2Very low40.7Very low151 Ų151134.8 Ų134.879%0.79172%0.718SS**  trans59.161.3133.9-59.5166.1000117.9
187R37.8Very low41.5Very low213 Ų213133.5 Ų133.580%0.80471%0.707SS**SBendtrans-149.883.7141.4-153171.3-175.2-174.51.9111.8
188N36.2Very low42Very low148 Ų148128.3 Ų128.379%0.79170%0.703SS**  trans147.283.6151-73.5-14.1000108.1A190N188-A190 PolarHBondContact O-N 3.23Å
189K33.9Very low43Very low193 Ų193125 Ų12584%0.83971%0.705SS**  trans-51.6113.3152.4-78.1-175.9175.3178.30105.8V191K189-V191 PolarHBondContact O-N 3.48Å
190A39.3Very low44.8Very low103 Ų103125 Ų12585%0.85169%0.694SS**  trans-62.787.2172.500000107.9N188 A192N188-A190 PolarHBondContact O-N 3.23Å; A190-A192 PolarHBondContact O-N 3.06Å
191V36.1Very low47.1Very low120 Ų120123 Ų12373%0.72768%0.676SS**PPolyproline II helixtrans-64.4122160.7-177.40000104.8K189 E193K189-V191 PolarHBondContact O-N 3.48Å; V191-E193 PolarHBondContact O-N 3.45Å; V191-E193 VanDerWaalsContact O-N 3.07Å
192A42.9Very low49.5Very low89 Ų89119.2 Ų119.274%0.73665%0.645SS**PPolyproline II helixtrans-50.4119.6170.400000107.7A190 P194A190-A192 PolarHBondContact O-N 3.06Å; A192-P194 WeakPolarHBondContact O-CD 3.38Å; A192-P194 VanDerWaalsContact O-N 3.13Å
193E47.2Very low52Low95 Ų95113.3 Ų113.344%0.44462%0.624SS.*PPolyproline II helixtrans-59123.4-175.5-72.4-143.7154.900109.4V191 N211V191-E193 PolarHBondContact O-N 3.45Å; V191-E193 VanDerWaalsContact O-N 3.07Å; E193-N211 PolarHBondContact OE1-ND2 3.1Å; E193-N211 VanDerWaalsContact OE1-ND2 3.1Å
194P48.9Very low53.9Low96 Ų96111.8 Ų111.862%0.62361%0.61SS**PPolyproline II helixtrans-64.7141.3-179.220.4-23.8000109.4A192 A196A192-P194 WeakPolarHBondContact O-CD 3.38Å; A192-P194 VanDerWaalsContact O-N 3.13Å; P194-A196 PolarHBondContact O-N 3.29Å
195K49.3Very low55.8Low178 Ų178103 Ų10377%0.77458%0.583SS**BIsolated β-bridgetrans-62.1125.7167.6-152.3179.3-178.9-167.20106.5
196A52.6Low58Low19 Ų19104.6 Ų104.616%0.15759%0.585CS.*PPolyproline II helixtrans-56.9141.7-176.200000111.2P194 E201 A209P194-A196 PolarHBondContact O-N 3.29Å; A196-E201 HydrophobicContact CB-CG 3.82Å; A196-A209 HydrophobicContact CB-CB 4.12Å
197T62.8Low59.4Low73 Ų73103.1 Ų103.145%0.44857%0.57SS.*PPolyproline II helixtrans-74.7150.8162.8470000108.9G199 E200T197-G199 PolarHBondContact O-N 2.96Å; T197-G199 VanDerWaalsContact O-N 3.15Å; T197-E200 PolarHBondContact O-N 2.87Å; T197-E200 VanDerWaalsContact O-N 3.12Å; T197-E200 PolarHBondContact OG1-OE2 2.88Å
198P54Low61.2Low125 Ų12594.4 Ų94.481%0.81254%0.538SS*.THydrogen-bonded Turntrans-56.6121.4175.9-23.533.6000110.7
199G62.5Low63.4Low77 Ų7788.1 Ų88.179%0.79451%0.506SS*.THydrogen-bonded Turntrans106.5-12.8-177.700000115.6T197T197-G199 PolarHBondContact O-N 2.96Å; T197-G199 VanDerWaalsContact O-N 3.15Å
200E79.4Confident66Low121 Ų12180.6 Ų80.657%0.56548%0.48SS*.  trans-106.819.3175.4-64.5-178.2-178.800112.4T197 A209 A210T197-E200 PolarHBondContact O-N 2.87Å; T197-E200 VanDerWaalsContact O-N 3.12Å; T197-E200 PolarHBondContact OG1-OE2 2.88Å; E200-A209 CarbonylContact O-C 3.47Å; E200-A209 VanDerWaalsContact O-CA 3.25Å; E200-A209 WeakPolarHBondContact O-CA 3.44Å; E200-A210 PolarHBondContact O-N 2.91Å
201E87.7Confident68.1Low84 Ų8478 Ų7839%0.39345%0.452SS..BIsolated β-bridgetrans-83146.6-172.1-64.9171163.800112.2A196 A203A196-E201 HydrophobicContact CB-CG 3.82Å; E201-A203 PolarHBondContact O-N 3.26Å
202C84.5Confident70.5Confident0 Ų072.4 Ų72.40%042%0.418CS..  trans-62.6126.8173.2170.80000110.8I204 C205 F206 H208 Y221 C223 C226C202-I204 PolarHBondContact O-N 2.79Å; C202-I204 PolarHBondContact SG-N 3.42Å; C202-I204 VanDerWaalsContact SG-N 3.44Å; C202-C205 PolarHBondContact O-N 3.15Å; C202-F206 WeakPolarHBondContact O-CA 3.49Å; C202-F206 PolarHBondContact O-N 3.45Å; C202-H208 VanDerWaalsContact CB-O 3.24Å; C202-H208 WeakPolarHBondContact CB-O 3.44Å; C202-H208 PolarHBondContact N-O 3.48Å; C202-Y221 WeakPolarHBondContact CA-O 3.14Å; C202-C223 HydrophobicContact CB-CB 3.74Å; C202-C223 PolarHBondContact SG-N 2.68Å; C202-C226 VanDerWaalsContact SG-SG 3.68Å
203A87.3Confident72.9Confident54 Ų5469.2 Ų69.245%0.44639%0.39SS..THydrogen-bonded Turntrans-64-8.9-178.300000115.3E201 F206 Y221E201-A203 PolarHBondContact O-N 3.26Å; A203-F206 WeakPolarHBondContact O-CZ 3.44Å; A203-Y221 PolarHBondContact N-O 3.48Å
204I81.9Confident75Confident68 Ų6864.7 Ų64.735%0.34937%0.369SS..THydrogen-bonded Turntrans-103.1-44.3179.8-64.9176.6000111.5C202 F222 C226 V230 P238C202-I204 PolarHBondContact O-N 2.79Å; C202-I204 PolarHBondContact SG-N 3.42Å; C202-I204 VanDerWaalsContact SG-N 3.44Å; I204-F222 HydrophobicContact CD1-CD1 3.57Å; I204-F222 HydrophobicContact CD1-CE1 3.71Å; I204-F222 HydrophobicContact CG1-CD1 3.92Å; I204-F222 HydrophobicContact CG1-CE1 3.99Å; I204-C226 HydrophobicContact CB-CB 3.79Å; I204-C226 HydrophobicContact CD1-CB 3.91Å; I204-C226 HydrophobicContact CG1-CB 4.32Å; I204-C226 HydrophobicContact CG2-CB 4.02Å; I204-C226 VanDerWaalsContact CG2-SG 3.6Å; I204-V230 HydrophobicContact CD1-CG2 3.61Å; I204-P238 HydrophobicContact CD1-CG 4.4Å
205C75.4Confident76.9Confident46 Ų4662.4 Ų62.431%0.31135%0.353SS..THydrogen-bonded Turntrans-106.3-11-17568.20000114.7C202 Y207C202-C205 PolarHBondContact O-N 3.15Å; C205-Y207 WeakPolarHBondContact O-CB 3.47Å; C205-Y207 PolarHBondContact O-N 3.12Å
206F77.7Confident78.8Confident143 Ų14357.1 Ų57.163%0.62734%0.337SS*.SBendtrans49.229179.8-56-82000114.2C202 A203C202-F206 WeakPolarHBondContact O-CA 3.49Å; C202-F206 PolarHBondContact O-N 3.45Å; A203-F206 WeakPolarHBondContact O-CZ 3.44Å
207Y70.9Confident80.8Confident121 Ų12157.7 Ų57.748%0.47534%0.339SS..SBendtrans-136.3-43.8-172.1-176.6-97.6000113C205C205-Y207 WeakPolarHBondContact O-CB 3.47Å; C205-Y207 PolarHBondContact O-N 3.12Å
208H74.9Confident82.1Confident30 Ų3056.1 Ų56.114%0.13934%0.338CS..BIsolated β-bridgetrans-95.4152.9178.8-69.6-66.1000111.1C202 C223C202-H208 VanDerWaalsContact CB-O 3.24Å; C202-H208 WeakPolarHBondContact CB-O 3.44Å; C202-H208 PolarHBondContact N-O 3.48Å; H208-C223 HydrophobicContact CB-CB 3.45Å; H208-C223 VanDerWaalsContact CB-CB 3.45Å
209A81.8Confident84Confident15 Ų1552.2 Ų52.212%0.12431%0.309CS..BIsolated β-bridgetrans-63.5141.7175.700000111.5A196 E200 N211 C223A196-A209 HydrophobicContact CB-CB 4.12Å; E200-A209 CarbonylContact O-C 3.47Å; E200-A209 VanDerWaalsContact O-CA 3.25Å; E200-A209 WeakPolarHBondContact O-CA 3.44Å; A209-N211 VanDerWaalsContact C-N 3.31Å; A209-N211 PolarHBondContact O-N 3.33Å; A209-N211 PolarHBondContact O-OD1 3.03Å; A209-C223 VanDerWaalsContact O-CA 3.32Å; A209-C223 WeakPolarHBondContact O-CA 3.06Å; A209-C223 VanDerWaalsContact O-CB 3.24Å; A209-C223 WeakPolarHBondContact O-CB 3.41Å
210A88.1Confident85.5Confident35 Ų3551.3 Ų51.329%0.28929%0.288SS..  trans-73.283.7172.200000109.4E200 T220E200-A210 PolarHBondContact O-N 2.91Å; A210-T220 CarbonylContact C-O 3.53Å; A210-T220 WeakPolarHBondContact CB-O 3.5Å
211N84.8Confident86Confident49 Ų4951.8 Ų51.826%0.26229%0.286SS..  trans-118.814-170.868.4-3.3000113.6E193 A209 F222 R224 A250E193-N211 PolarHBondContact OE1-ND2 3.1Å; E193-N211 VanDerWaalsContact OE1-ND2 3.1Å; A209-N211 VanDerWaalsContact C-N 3.31Å; A209-N211 PolarHBondContact O-N 3.33Å; A209-N211 PolarHBondContact O-OD1 3.03Å; N211-F222 PolarHBondContact N-O 3.47Å; N211-R224 PolarHBondContact OD1-N 3.35Å; N211-A250 PolarHBondContact O-N 3.21Å
212T85.9Confident86.1Confident3 Ų348 Ų482%0.01827%0.268CS..EExtended strand (participates in β ladder)trans-135.3132.3-171.5-62.60000111.6T220 F222 R224 A227 V247 A248T212-T220 CarbonylContact O-C 3.33Å; T212-T220 VanDerWaalsContact O-CA 3.25Å; T212-T220 WeakPolarHBondContact O-CA 3.34Å; T212-F222 VanDerWaalsContact CB-O 3.31Å; T212-F222 WeakPolarHBondContact CB-O 3.37Å; T212-F222 PolarHBondContact N-O 3.37Å; T212-R224 WeakPolarHBondContact OG1-CA 3.28Å; T212-R224 VanDerWaalsContact OG1-CB 3.29Å; T212-R224 WeakPolarHBondContact OG1-CB 3.47Å; T212-R224 PolarHBondContact OG1-N 3.36Å; T212-A227 HydrophobicContact CG2-CB 3.48Å; T212-A227 VanDerWaalsContact CG2-CB 3.48Å; T212-V247 HydrophobicContact CG2-CG1 3.25Å; T212-A248 CarbonylContact C-O 3.53Å; T212-A248 WeakPolarHBondContact CA-O 3.36Å; T212-A248 VanDerWaalsContact CG2-O 3.31Å; T212-A248 WeakPolarHBondContact CG2-O 3.38Å
213C92.8Very high86.1Confident22 Ų2248 Ų4815%0.14927%0.268CS..EExtended strand (participates in β ladder)trans-97.9137.4178.2-178.40000111.5G218 H219 T220 A248C213-G218 VanDerWaalsContact SG-C 3.59Å; C213-G218 VanDerWaalsContact SG-CA 3.51Å; C213-H219 WeakPolarHBondContact CA-O 3.43Å; C213-T220 HydrophobicContact CB-CG2 3.89Å; C213-A248 PolarHBondContact N-O 2.96Å; C213-A248 PolarHBondContact O-N 3.27Å
214L92.1Very high85.8Confident0 Ų050.7 Ų50.70%027%0.267CS..EExtended strand (participates in β ladder)trans-93.6121.6169.4-60.8179.5000110C217 G218 H219 F222 A227 C237 I244 V247L214-C217 PolarHBondContact O-N 3.14Å; L214-C217 PolarHBondContact O-SG 2.99Å; L214-G218 PolarHBondContact O-N 2.89Å; L214-H219 PolarHBondContact N-O 3.19Å; L214-F222 HydrophobicContact CD1-CD2 3.67Å; L214-F222 HydrophobicContact CD1-CE2 3.55Å; L214-F222 HydrophobicContact CD1-CZ 4.47Å; L214-F222 HydrophobicContact CG-CD2 3.99Å; L214-F222 HydrophobicContact CG-CE2 4.3Å; L214-A227 HydrophobicContact CD2-CB 3.76Å; L214-C237 HydrophobicContact CD1-CB 4.19Å; L214-I244 HydrophobicContact CB-CG1 4.36Å; L214-I244 HydrophobicContact CB-CG2 4.3Å; L214-I244 HydrophobicContact CD1-CD1 3.8Å; L214-I244 HydrophobicContact CD1-CG1 4.29Å; L214-I244 HydrophobicContact CD2-CD1 4.06Å; L214-I244 HydrophobicContact CD2-CG2 4.17Å; L214-I244 HydrophobicContact CG-CD1 4.37Å; L214-V247 HydrophobicContact CD2-CG2 4.07Å
215V89.3Confident85.5Confident48 Ų4848.6 Ų48.629%0.29126%0.258SS..EExtended strand (participates in β ladder)trans-95.8137.9-179.1179.30000109.3I244 E245 A246 A248V215-I244 CarbonylContact O-C 3.56Å; V215-I244 WeakPolarHBondContact O-CA 3.41Å; V215-E245 PolarHBondContact O-N 3.42Å; V215-A246 HydrophobicContact CB-CB 4.11Å; V215-A246 WeakPolarHBondContact CB-O 3.43Å; V215-A246 HydrophobicContact CG2-CB 4.5Å; V215-A246 PolarHBondContact N-O 3.26Å; V215-A246 PolarHBondContact O-N 3.25Å; V215-A248 HydrophobicContact CG2-CB 4.06Å
216P88.3Confident85.8Confident66 Ų6646.8 Ų46.843%0.42925%0.245SC..THydrogen-bonded Turncis-89.2-6.75.134.6-35.5000115G218 Q243P216-G218 VanDerWaalsContact C-N 3.25Å; P216-G218 PolarHBondContact O-N 3.14Å; P216-G218 VanDerWaalsContact O-N 3.15Å; P216-Q243 WeakPolarHBondContact CD-O 3.09Å
217C94.1Very high86.1Confident31 Ų3140 Ų4021%0.20922%0.215CC..THydrogen-bonded Turntrans-71.5-11.8-16767.60000115.8L214 H219 C240 W242L214-C217 PolarHBondContact O-N 3.14Å; L214-C217 PolarHBondContact O-SG 2.99Å; C217-H219 VanDerWaalsContact C-N 3.3Å; C217-H219 PolarHBondContact O-N 3.35Å; C217-H219 PolarHBondContact SG-ND1 3.29Å; C217-H219 VanDerWaalsContact SG-ND1 3.36Å; C217-C240 WeakPolarHBondContact CB-SG 3.22Å; C217-W242 HydrophobicContact CB-CB 4.07Å; C217-W242 HydrophobicContact CB-CG 4.49Å
218G90.8Very high86.5Confident41 Ų4139.3 Ų39.342%0.42321%0.212SC..THydrogen-bonded Turntrans81.2-1.1171.700000115.6C213 L214 P216 T220C213-G218 VanDerWaalsContact SG-C 3.59Å; C213-G218 VanDerWaalsContact SG-CA 3.51Å; L214-G218 PolarHBondContact O-N 2.89Å; P216-G218 VanDerWaalsContact C-N 3.25Å; P216-G218 PolarHBondContact O-N 3.14Å; P216-G218 VanDerWaalsContact O-N 3.15Å; G218-T220 PolarHBondContact O-N 3.1Å
219H94.1Very high86.6Confident43 Ų4342 Ų4220%0.19922%0.221CC..EExtended strand (participates in β ladder)trans-70.7125.2-174.1-71.2101.3000112.5C213 L214 C217 Y221 F222 C237 V239 C240C213-H219 WeakPolarHBondContact CA-O 3.43Å; L214-H219 PolarHBondContact N-O 3.19Å; C217-H219 VanDerWaalsContact C-N 3.3Å; C217-H219 PolarHBondContact O-N 3.35Å; C217-H219 PolarHBondContact SG-ND1 3.29Å; C217-H219 VanDerWaalsContact SG-ND1 3.36Å; H219-Y221 HydrophobicContact CB-CD2 4.39Å; H219-Y221 AromaticContact CD2-CE2 3.77Å; H219-F222 HydrophobicContact CB-CE2 4.2Å; H219-C237 PolarHBondContact ND1-SG 3.4Å; H219-V239 HydrophobicContact CB-CG2 4.39Å; H219-V239 WeakPolarHBondContact NE2-CG1 3.48Å; H219-C240 VanDerWaalsContact CE1-CB 3.43Å; H219-C240 WeakPolarHBondContact CE1-CB 3.21Å; H219-C240 PolarHBondContact CE1-SG 3.43Å; H219-C240 PolarHBondContact ND1-SG 2.95Å; H219-C240 VanDerWaalsContact ND1-SG 3.4Å
220T93.2Very high86.6Confident58 Ų5842.1 Ų42.136%0.35622%0.22SC..EExtended strand (participates in β ladder)trans-1094-17149.70000115.5A210 T212 C213 G218 F222 A250A210-T220 CarbonylContact C-O 3.53Å; A210-T220 WeakPolarHBondContact CB-O 3.5Å; T212-T220 CarbonylContact O-C 3.33Å; T212-T220 VanDerWaalsContact O-CA 3.25Å; T212-T220 WeakPolarHBondContact O-CA 3.34Å; C213-T220 HydrophobicContact CB-CG2 3.89Å; G218-T220 PolarHBondContact O-N 3.1Å; T220-F222 PolarHBondContact O-N 3.1Å; T220-A250 HydrophobicContact CG2-CB 3.7Å
221Y91.4Very high86.3Confident131 Ų13143.1 Ų43.151%0.51422%0.218SC..EExtended strand (participates in β ladder)trans-69.59.1-174-53.6-70.8000115.6C202 A203 H219 V239C202-Y221 WeakPolarHBondContact CA-O 3.14Å; A203-Y221 PolarHBondContact N-O 3.48Å; H219-Y221 HydrophobicContact CB-CD2 4.39Å; H219-Y221 AromaticContact CD2-CE2 3.77Å; Y221-V239 HydrophobicContact CD2-CG2 3.77Å; Y221-V239 HydrophobicContact CE2-CG1 4.45Å; Y221-V239 HydrophobicContact CE2-CG2 4.22Å
222F89.3Confident85.7Confident4 Ų445.2 Ų45.22%0.01822%0.222CC..EExtended strand (participates in β ladder)trans-119.4138-169.2-51.1-69000109.7I204 N211 T212 L214 H219 T220 A227 P238 V239I204-F222 HydrophobicContact CD1-CD1 3.57Å; I204-F222 HydrophobicContact CD1-CE1 3.71Å; I204-F222 HydrophobicContact CG1-CD1 3.92Å; I204-F222 HydrophobicContact CG1-CE1 3.99Å; N211-F222 PolarHBondContact N-O 3.47Å; T212-F222 VanDerWaalsContact CB-O 3.31Å; T212-F222 WeakPolarHBondContact CB-O 3.37Å; T212-F222 PolarHBondContact N-O 3.37Å; L214-F222 HydrophobicContact CD1-CD2 3.67Å; L214-F222 HydrophobicContact CD1-CE2 3.55Å; L214-F222 HydrophobicContact CD1-CZ 4.47Å; L214-F222 HydrophobicContact CG-CD2 3.99Å; L214-F222 HydrophobicContact CG-CE2 4.3Å; H219-F222 HydrophobicContact CB-CE2 4.2Å; T220-F222 PolarHBondContact O-N 3.1Å; F222-A227 HydrophobicContact CB-CB 3.88Å; F222-P238 HydrophobicContact CE1-CB 4.19Å; F222-P238 HydrophobicContact CE1-CG 3.81Å; F222-P238 HydrophobicContact CE2-CG 4.48Å; F222-P238 HydrophobicContact CZ-CB 3.96Å; F222-P238 VanDerWaalsContact CZ-CD 3.49Å; F222-P238 HydrophobicContact CZ-CG 3.65Å; F222-V239 HydrophobicContact CE2-CG2 4.09Å; F222-V239 HydrophobicContact CZ-CG2 3.7Å
223C84.4Confident84.9Confident1 Ų149.4 Ų49.41%0.00725%0.245CC..  trans-69.5160.3161.173.40000108.6C202 H208 A209 C225 C226 A227C202-C223 HydrophobicContact CB-CB 3.74Å; C202-C223 PolarHBondContact SG-N 2.68Å; H208-C223 HydrophobicContact CB-CB 3.45Å; H208-C223 VanDerWaalsContact CB-CB 3.45Å; A209-C223 VanDerWaalsContact O-CA 3.32Å; A209-C223 WeakPolarHBondContact O-CA 3.06Å; A209-C223 VanDerWaalsContact O-CB 3.24Å; A209-C223 WeakPolarHBondContact O-CB 3.41Å; C223-C225 PolarHBondContact O-N 3.46Å; C223-C226 PolarHBondContact O-N 2.78Å; C223-C226 PolarHBondContact SG-N 2.76Å; C223-C226 VanDerWaalsContact SG-N 3.43Å; C223-A227 WeakPolarHBondContact O-CB 3.31Å; C223-A227 PolarHBondContact O-N 2.97Å
224R80.4Confident84.5Confident110 Ų11052.4 Ų52.442%0.41526%0.263SS..Hα-helixtrans-48.8-40.4-179.7-169.5167.2176.2-80-5.7112.9N211 T212 W228N211-R224 PolarHBondContact OD1-N 3.35Å; T212-R224 WeakPolarHBondContact OG1-CA 3.28Å; T212-R224 VanDerWaalsContact OG1-CB 3.29Å; T212-R224 WeakPolarHBondContact OG1-CB 3.47Å; T212-R224 PolarHBondContact OG1-N 3.36Å; R224-W228 PolarHBondContact O-N 3.29Å
225C76.8Confident84.3Confident23 Ų2354 Ų5416%0.15528%0.276CS..Hα-helixtrans-80.7-35.6-171-58.80000113.7C141 C223 R229C141-C225 WeakPolarHBondContact CA-SG 3.34Å; C141-C225 HydrophobicContact CB-CB 3.4Å; C141-C225 WeakPolarHBondContact CB-SG 3.42Å; C141-C225 PolarHBondContact N-SG 2.92Å; C141-C225 WeakPolarHBondContact SG-CB 3.48Å; C141-C225 CovalentContact SG-SG 1.97Å; C141-C225 PolarHBondContact SG-SG 3.32Å; C223-C225 PolarHBondContact O-N 3.46Å; C225-R229 WeakPolarHBondContact O-CB 3.39Å; C225-R229 PolarHBondContact O-N 2.99Å; C225-R229 VanDerWaalsContact O-N 3.08Å
226C80.6Confident84.3Confident8 Ų857.8 Ų57.85%0.05429%0.288CS..Hα-helixtrans-69.7-38.7171.4-69.30000111C202 I204 C223 R229 V230C202-C226 VanDerWaalsContact SG-SG 3.68Å; I204-C226 HydrophobicContact CB-CB 3.79Å; I204-C226 HydrophobicContact CD1-CB 3.91Å; I204-C226 HydrophobicContact CG1-CB 4.32Å; I204-C226 HydrophobicContact CG2-CB 4.02Å; I204-C226 VanDerWaalsContact CG2-SG 3.6Å; C223-C226 PolarHBondContact O-N 2.78Å; C223-C226 PolarHBondContact SG-N 2.76Å; C223-C226 VanDerWaalsContact SG-N 3.43Å; C226-R229 PolarHBondContact O-N 3.03Å; C226-V230 WeakPolarHBondContact O-CG2 3.38Å; C226-V230 PolarHBondContact O-N 3.31Å
227A83.9Confident84.5Confident0 Ų054.7 Ų54.70%027%0.268CS..Hα-helixtrans-60.9-47.417500000112.4T212 L214 F222 C223 R229 V230 F231 V247T212-A227 HydrophobicContact CG2-CB 3.48Å; T212-A227 VanDerWaalsContact CG2-CB 3.48Å; L214-A227 HydrophobicContact CD2-CB 3.76Å; F222-A227 HydrophobicContact CB-CB 3.88Å; C223-A227 WeakPolarHBondContact O-CB 3.31Å; C223-A227 PolarHBondContact O-N 2.97Å; A227-R229 VanDerWaalsContact C-N 3.34Å; A227-R229 PolarHBondContact O-N 3.4Å; A227-V230 PolarHBondContact O-N 3.35Å; A227-F231 WeakPolarHBondContact O-CB 3.36Å; A227-F231 PolarHBondContact O-N 3.34Å; A227-V247 HydrophobicContact CB-CG1 3.7Å
228W78.9Confident84.4Confident107 Ų10756.4 Ų56.441%0.40528%0.279SS..Hα-helixtrans-64.3-36.4176.1-85.7104.8000113.1R224 F231 R232 V247R224-W228 PolarHBondContact O-N 3.29Å; W228-F231 AromaticContact CE3-CD1 3.81Å; W228-F231 HydrophobicContact CE3-CD1 3.81Å; W228-F231 HydrophobicContact CE3-CE1 4.49Å; W228-F231 AromaticContact CZ3-CD1 3.62Å; W228-F231 HydrophobicContact CZ3-CD1 3.62Å; W228-F231 AromaticContact CZ3-CE1 3.85Å; W228-F231 HydrophobicContact CZ3-CE1 3.85Å; W228-F231 PolarHBondContact O-N 3.33Å; W228-R232 WeakPolarHBondContact O-CB 3.46Å; W228-R232 PolarHBondContact O-N 2.93Å; W228-R232 VanDerWaalsContact O-N 3.12Å; W228-V247 HydrophobicContact CD2-CB 4.12Å; W228-V247 HydrophobicContact CD2-CG1 4.36Å; W228-V247 HydrophobicContact CD2-CG2 4.19Å; W228-V247 HydrophobicContact CE3-CG2 4.39Å; W228-V247 HydrophobicContact CG-CB 4.48Å; W228-V247 HydrophobicContact CG-CG1 4.25Å; W228-V247 HydrophobicContact CZ2-CB 3.97Å
229R78.3Confident84.5Confident87 Ų8758 Ų5833%0.32828%0.28SS..Hα-helixtrans-61.2-50.1173.6-176.5179.9-66.4172.7-3.3110.9C225 C226 A227 F231 R232 D233C225-R229 WeakPolarHBondContact O-CB 3.39Å; C225-R229 PolarHBondContact O-N 2.99Å; C225-R229 VanDerWaalsContact O-N 3.08Å; C226-R229 PolarHBondContact O-N 3.03Å; A227-R229 VanDerWaalsContact C-N 3.34Å; A227-R229 PolarHBondContact O-N 3.4Å; R229-F231 PolarHBondContact O-N 3.4Å; R229-R232 PolarHBondContact O-N 2.81Å; R229-D233 WeakPolarHBondContact CG-OD2 3.5Å; R229-D233 WeakPolarHBondContact O-CB 3.42Å; R229-D233 PolarHBondContact O-N 2.87Å
230V81.7Confident84.5Confident18 Ų1858.3 Ų58.311%0.10929%0.287CS..Hα-helixtrans-60.9-44.9177.8174.10000111.8I204 C226 A227 R232 D233 T234 A235 K236 P238 I244I204-V230 HydrophobicContact CD1-CG2 3.61Å; C226-V230 WeakPolarHBondContact O-CG2 3.38Å; C226-V230 PolarHBondContact O-N 3.31Å; A227-V230 PolarHBondContact O-N 3.35Å; V230-R232 PolarHBondContact O-N 3.32Å; V230-D233 PolarHBondContact O-N 3.35Å; V230-T234 PolarHBondContact O-N 3.46Å; V230-T234 PolarHBondContact O-OG1 3.24Å; V230-A235 PolarHBondContact O-N 3.36Å; V230-K236 WeakPolarHBondContact CG1-O 3.26Å; V230-P238 HydrophobicContact CB-CG 4.36Å; V230-P238 HydrophobicContact CG1-CG 3.74Å; V230-P238 HydrophobicContact CG2-CG 3.75Å; V230-I244 HydrophobicContact CG1-CD1 3.77Å
231F81.1Confident84.5Confident55 Ų5565.4 Ų65.424%0.24131%0.307CS..Hα-helixtrans-56.1-41.2178.9178.6-118000112.2A227 W228 R229 A235 I244 E245 V247A227-F231 WeakPolarHBondContact O-CB 3.36Å; A227-F231 PolarHBondContact O-N 3.34Å; W228-F231 AromaticContact CE3-CD1 3.81Å; W228-F231 HydrophobicContact CE3-CD1 3.81Å; W228-F231 HydrophobicContact CE3-CE1 4.49Å; W228-F231 AromaticContact CZ3-CD1 3.62Å; W228-F231 HydrophobicContact CZ3-CD1 3.62Å; W228-F231 AromaticContact CZ3-CE1 3.85Å; W228-F231 HydrophobicContact CZ3-CE1 3.85Å; W228-F231 PolarHBondContact O-N 3.33Å; R229-F231 PolarHBondContact O-N 3.4Å; F231-A235 WeakPolarHBondContact O-CA 3.21Å; F231-A235 WeakPolarHBondContact O-CB 3.46Å; F231-A235 PolarHBondContact O-N 3.45Å; F231-I244 HydrophobicContact CB-CG2 4.48Å; F231-I244 HydrophobicContact CD2-CB 3.69Å; F231-I244 HydrophobicContact CD2-CG2 3.34Å; F231-I244 HydrophobicContact CE2-CB 4.23Å; F231-I244 HydrophobicContact CE2-CG2 3.89Å; F231-I244 VanDerWaalsContact CE2-O 3.31Å; F231-I244 WeakPolarHBondContact CE2-O 3.43Å; F231-I244 HydrophobicContact CG-CG2 4.27Å; F231-E245 WeakPolarHBondContact CZ-O 3.46Å; F231-V247 HydrophobicContact CB-CG2 3.57Å; F231-V247 HydrophobicContact CD1-CG2 4.17Å; F231-V247 HydrophobicContact CD2-CG2 4.33Å; F231-V247 HydrophobicContact CG-CG2 3.77Å
232R71.6Confident84.5Confident93 Ų9366.8 Ų66.835%0.35131%0.312SS..Hα-helixtrans-79.4-41.5-178.9-173.5-169.861.8-143.5-9.6113.2E114 G115 C116 W228 R229 V230E114-R232 PolarHBondContact O-NE 3.3Å; E114-R232 PolarHBondContact O-NH1 3.28Å; E114-R232 PolarHBondContact O-NH2 2.81Å; G115-R232 VanDerWaalsContact C-CZ 3.5Å; G115-R232 WeakPolarHBondContact O-CD 2.94Å; G115-R232 PolarHBondContact O-NH1 3.28Å; C116-R232 VanDerWaalsContact CA-NH1 3.29Å; C116-R232 VanDerWaalsContact N-NH1 3.13Å; C116-R232 PolarHBondContact SG-NH1 3.48Å; W228-R232 WeakPolarHBondContact O-CB 3.46Å; W228-R232 PolarHBondContact O-N 2.93Å; W228-R232 VanDerWaalsContact O-N 3.12Å; R229-R232 PolarHBondContact O-N 2.81Å; V230-R232 PolarHBondContact O-N 3.32Å
233D70Confident84.5Confident92 Ų9272.9 Ų72.949%0.49234%0.34SS..Hα-helixtrans-81.4-43.2-169.7-59.9-4.9000111.6R229 V230R229-D233 WeakPolarHBondContact CG-OD2 3.5Å; R229-D233 WeakPolarHBondContact O-CB 3.42Å; R229-D233 PolarHBondContact O-N 2.87Å; V230-D233 PolarHBondContact O-N 3.35Å
234T84.7Confident84.9Confident85 Ų8573 Ų7352%0.52134%0.341SS..THydrogen-bonded Turntrans-119.1-20.5-177.966.70000113.6V230 K236V230-T234 PolarHBondContact O-N 3.46Å; V230-T234 PolarHBondContact O-OG1 3.24Å; T234-K236 PolarHBondContact O-N 3.38Å; T234-K236 PolarHBondContact OG1-N 3.4Å; T234-K236 PolarHBondContact OG1-O 2.77Å
235A87.3Confident85.1Confident34 Ų3474.1 Ų74.128%0.28135%0.35SS..  trans48.423.1-168.800000113.5V230 F231 Q243 I244V230-A235 PolarHBondContact O-N 3.36Å; F231-A235 WeakPolarHBondContact O-CA 3.21Å; F231-A235 WeakPolarHBondContact O-CB 3.46Å; F231-A235 PolarHBondContact O-N 3.45Å; A235-Q243 CarbonylContact O-C 3.59Å; A235-Q243 WeakPolarHBondContact O-CA 3.26Å; A235-I244 PolarHBondContact O-N 3.02Å
236K90.5Very high85.2Confident126 Ų12675 Ų7555%0.54836%0.36SS..BIsolated β-bridgetrans-126.5128.4-179.5-72.2-177.1-176.3-178.60110.2V230 T234 W242V230-K236 WeakPolarHBondContact CG1-O 3.26Å; T234-K236 PolarHBondContact O-N 3.38Å; T234-K236 PolarHBondContact OG1-N 3.4Å; T234-K236 PolarHBondContact OG1-O 2.77Å; K236-W242 CarbonylContact C-O 3.6Å; K236-W242 WeakPolarHBondContact CA-O 3.06Å
237C92.4Very high85.3Confident1 Ų175.6 Ų75.61%0.00736%0.363CS..  trans-56.9130.4-179.9-179.30000110.8L214 H219 V239 C240 R241 W242 I244L214-C237 HydrophobicContact CD1-CB 4.19Å; H219-C237 PolarHBondContact ND1-SG 3.4Å; C237-V239 PolarHBondContact O-N 3.12Å; C237-C240 VanDerWaalsContact CB-SG 3.56Å; C237-C240 VanDerWaalsContact SG-SG 3.63Å; C237-R241 WeakPolarHBondContact O-CA 3.05Å; C237-R241 PolarHBondContact O-N 3.15Å; C237-W242 PolarHBondContact N-O 3.16Å; C237-I244 HydrophobicContact CB-CG1 4.27Å
238P91.7Very high85.1Confident67 Ų6777 Ų7744%0.43538%0.375SS..THydrogen-bonded Turntrans-68.4-19.8-179.2-18.834.5000112.9I204 F222 V230I204-P238 HydrophobicContact CD1-CG 4.4Å; F222-P238 HydrophobicContact CE1-CB 4.19Å; F222-P238 HydrophobicContact CE1-CG 3.81Å; F222-P238 HydrophobicContact CE2-CG 4.48Å; F222-P238 HydrophobicContact CZ-CB 3.96Å; F222-P238 VanDerWaalsContact CZ-CD 3.49Å; F222-P238 HydrophobicContact CZ-CG 3.65Å; V230-P238 HydrophobicContact CB-CG 4.36Å; V230-P238 HydrophobicContact CG1-CG 3.74Å; V230-P238 HydrophobicContact CG2-CG 3.75Å
239V92.8Very high85.2Confident74 Ų7476.9 Ų76.945%0.44839%0.388SS..THydrogen-bonded Turntrans-87-59.5-179.8-172.90000111.2H219 Y221 F222 C237H219-V239 HydrophobicContact CB-CG2 4.39Å; H219-V239 WeakPolarHBondContact NE2-CG1 3.48Å; Y221-V239 HydrophobicContact CD2-CG2 3.77Å; Y221-V239 HydrophobicContact CE2-CG1 4.45Å; Y221-V239 HydrophobicContact CE2-CG2 4.22Å; F222-V239 HydrophobicContact CE2-CG2 4.09Å; F222-V239 HydrophobicContact CZ-CG2 3.7Å; C237-V239 PolarHBondContact O-N 3.12Å
240C93.1Very high85.3Confident50 Ų5074.2 Ų74.234%0.33839%0.385SS..THydrogen-bonded Turntrans-105.2-1.6-173.5650000114.7C217 H219 C237 W242C217-C240 WeakPolarHBondContact CB-SG 3.22Å; H219-C240 VanDerWaalsContact CE1-CB 3.43Å; H219-C240 WeakPolarHBondContact CE1-CB 3.21Å; H219-C240 PolarHBondContact CE1-SG 3.43Å; H219-C240 PolarHBondContact ND1-SG 2.95Å; H219-C240 VanDerWaalsContact ND1-SG 3.4Å; C237-C240 VanDerWaalsContact CB-SG 3.56Å; C237-C240 VanDerWaalsContact SG-SG 3.63Å; C240-W242 PolarHBondContact O-N 2.83Å; C240-W242 VanDerWaalsContact SG-CB 3.51Å
241R93Very high84.6Confident207 Ų20782.3 Ų82.378%0.78142%0.421SS*.  trans62.16.1-178.1-53.4-179.9179.7171.9-1.2115.3C237C237-R241 WeakPolarHBondContact O-CA 3.05Å; C237-R241 PolarHBondContact O-N 3.15Å
242W91.6Very high83.4Confident161 Ų16182.3 Ų82.361%0.6144%0.436SS*.PPolyproline II helixtrans-64.4146.7176.2-151.7-70.5000111.5C217 K236 C237 C240 I244C217-W242 HydrophobicContact CB-CB 4.07Å; C217-W242 HydrophobicContact CB-CG 4.49Å; K236-W242 CarbonylContact C-O 3.6Å; K236-W242 WeakPolarHBondContact CA-O 3.06Å; C237-W242 PolarHBondContact N-O 3.16Å; C240-W242 PolarHBondContact O-N 2.83Å; C240-W242 VanDerWaalsContact SG-CB 3.51Å; W242-I244 PolarHBondContact O-N 3.05Å
243Q90.6Very high81.7Confident132 Ų13283.8 Ų83.862%0.61746%0.458SS*.BIsolated β-bridgetrans-63.9124.2175-173.5167.1-33.600110.7P216 A235P216-Q243 WeakPolarHBondContact CD-O 3.09Å; A235-Q243 CarbonylContact O-C 3.59Å; A235-Q243 WeakPolarHBondContact O-CA 3.26Å
244I91.5Very high80Confident4 Ų485.3 Ų85.32%0.02147%0.473CS..PPolyproline II helixtrans-85.2133.1178.4-53.2162000107.1L214 V215 V230 F231 A235 C237 W242 A246L214-I244 HydrophobicContact CB-CG1 4.36Å; L214-I244 HydrophobicContact CB-CG2 4.3Å; L214-I244 HydrophobicContact CD1-CD1 3.8Å; L214-I244 HydrophobicContact CD1-CG1 4.29Å; L214-I244 HydrophobicContact CD2-CD1 4.06Å; L214-I244 HydrophobicContact CD2-CG2 4.17Å; L214-I244 HydrophobicContact CG-CD1 4.37Å; V215-I244 CarbonylContact O-C 3.56Å; V215-I244 WeakPolarHBondContact O-CA 3.41Å; V230-I244 HydrophobicContact CG1-CD1 3.77Å; F231-I244 HydrophobicContact CB-CG2 4.48Å; F231-I244 HydrophobicContact CD2-CB 3.69Å; F231-I244 HydrophobicContact CD2-CG2 3.34Å; F231-I244 HydrophobicContact CE2-CB 4.23Å; F231-I244 HydrophobicContact CE2-CG2 3.89Å; F231-I244 VanDerWaalsContact CE2-O 3.31Å; F231-I244 WeakPolarHBondContact CE2-O 3.43Å; F231-I244 HydrophobicContact CG-CG2 4.27Å; A235-I244 PolarHBondContact O-N 3.02Å; C237-I244 HydrophobicContact CB-CG1 4.27Å; W242-I244 PolarHBondContact O-N 3.05Å; I244-A246 WeakPolarHBondContact CG2-O 3.3Å
245E84.1Confident77.8Confident132 Ų13285.7 Ų85.762%0.61749%0.485SS*.  trans-105.8-31.7176.4-66.6175.8-16800111.7V215 F231V215-E245 PolarHBondContact O-N 3.42Å; F231-E245 WeakPolarHBondContact CZ-O 3.46Å
246A79.1Confident75.3Confident42 Ų4291.9 Ų91.935%0.34751%0.513SS..EExtended strand (participates in β ladder)trans-152.1160.6177.500000112.6V215 I244V215-A246 HydrophobicContact CB-CB 4.11Å; V215-A246 WeakPolarHBondContact CB-O 3.43Å; V215-A246 HydrophobicContact CG2-CB 4.5Å; V215-A246 PolarHBondContact N-O 3.26Å; V215-A246 PolarHBondContact O-N 3.25Å; I244-A246 WeakPolarHBondContact CG2-O 3.3Å
247V82.4Confident72.7Confident20 Ų2096.4 Ų96.412%0.12153%0.526CS..EExtended strand (participates in β ladder)trans-116116.8174.5-178.70000108.8T212 L214 A227 W228 F231T212-V247 HydrophobicContact CG2-CG1 3.25Å; L214-V247 HydrophobicContact CD2-CG2 4.07Å; A227-V247 HydrophobicContact CB-CG1 3.7Å; W228-V247 HydrophobicContact CD2-CB 4.12Å; W228-V247 HydrophobicContact CD2-CG1 4.36Å; W228-V247 HydrophobicContact CD2-CG2 4.19Å; W228-V247 HydrophobicContact CE3-CG2 4.39Å; W228-V247 HydrophobicContact CG-CB 4.48Å; W228-V247 HydrophobicContact CG-CG1 4.25Å; W228-V247 HydrophobicContact CZ2-CB 3.97Å; F231-V247 HydrophobicContact CB-CG2 3.57Å; F231-V247 HydrophobicContact CD1-CG2 4.17Å; F231-V247 HydrophobicContact CD2-CG2 4.33Å; F231-V247 HydrophobicContact CG-CG2 3.77Å
248A80.3Confident69.9Low31 Ų31102.4 Ų102.426%0.25656%0.563SS.*EExtended strand (participates in β ladder)trans-123.7154.5-17400000111.5T212 C213 V215T212-A248 CarbonylContact C-O 3.53Å; T212-A248 WeakPolarHBondContact CA-O 3.36Å; T212-A248 VanDerWaalsContact CG2-O 3.31Å; T212-A248 WeakPolarHBondContact CG2-O 3.38Å; C213-A248 PolarHBondContact N-O 2.96Å; C213-A248 PolarHBondContact O-N 3.27Å; V215-A248 HydrophobicContact CG2-CB 4.06Å
249P80.9Confident67.2Low103 Ų103107.6 Ų107.667%0.66958%0.581SS**EExtended strand (participates in β ladder)trans-57.2141169.2-19.831.8000110.7Q251P249-Q251 PolarHBondContact O-N 2.56Å
250A80.9Confident64.6Low32 Ų32112.8 Ų112.826%0.26460%0.601SS.*PPolyproline II helixtrans-63.3120.3168.500000107.9N211 T220 G252N211-A250 PolarHBondContact O-N 3.21Å; T220-A250 HydrophobicContact CG2-CB 3.7Å; A250-G252 PolarHBondContact O-N 2.81Å
251Q66.9Low62.2Low187 Ų187113.9 Ų113.987%0.87462%0.62SS**PPolyproline II helixtrans-66.9125.9170.8-64.3-175.71.300106.9P249P249-Q251 PolarHBondContact O-N 2.56Å
252G55.3Low59.6Low55 Ų55113.6 Ų113.657%0.56765%0.65SS**PPolyproline II helixtrans-58.716717100000110.8A250A250-G252 PolarHBondContact O-N 2.81Å
253P37.3Very low58Low124 Ų124111.2 Ų111.281%0.80565%0.652SS**PPolyproline II helixtrans-53138.717921.6-31000109.8A255P253-A255 PolarHBondContact O-N 2.81Å; P253-A255 VanDerWaalsContact O-N 3.17Å
254P34.3Very low56.3Low124 Ų124110.1 Ų110.181%0.80565%0.653SS**PPolyproline II helixtrans-56127173.123.1-30.5000107.6L256P254-L256 PolarHBondContact O-N 3.49Å
255A37.7Very low54.3Low93 Ų93116 Ų11677%0.76969%0.689SS**PPolyproline II helixtrans-51.9120.6168.700000107.1P253 R257P253-A255 PolarHBondContact O-N 2.81Å; P253-A255 VanDerWaalsContact O-N 3.17Å; A255-R257 PolarHBondContact O-N 2.88Å
256L35.3Very low52.6Low165 Ų165115.1 Ų115.186%0.86469%0.693SS**  trans-44.4113.3170.5-84.5142.1000107.5P254 T258P254-L256 PolarHBondContact O-N 3.49Å; L256-T258 VanDerWaalsContact C-N 3.32Å; L256-T258 PolarHBondContact O-N 2.92Å
257R34.8Very low50.9Low221 Ų221119.6 Ų119.683%0.83471%0.714SS**  trans-61.6106.3159-74.6-176.5-179.1-179.9-0.1104.8A255 E259A255-R257 PolarHBondContact O-N 2.88Å; R257-E259 PolarHBondContact O-N 2.84Å
258T33.9Very low48.8Very low126 Ų126126.3 Ų126.377%0.77375%0.754SS**  trans-61.595.5153.832.80000105.9L256 E260L256-T258 VanDerWaalsContact C-N 3.32Å; L256-T258 PolarHBondContact O-N 2.92Å; T258-E260 PolarHBondContact O-N 3.45Å; T258-E260 VanDerWaalsContact O-N 3.09Å
259E35Very low46.6Very low177 Ų177133.1 Ų133.183%0.82779%0.79SS**  trans-67.693.3153.5-66.6-164.4153.300105.8R257 G261R257-E259 PolarHBondContact O-N 2.84Å; E259-G261 PolarHBondContact O-N 3.02Å
260E38.1Very low43.9Very low183 Ų183135.4 Ų135.486%0.85580%0.799SS**  trans-69.1113.3157.9-77.7-169.614000106.8T258T258-E260 PolarHBondContact O-N 3.45Å; T258-E260 VanDerWaalsContact O-N 3.09Å
261G42.7Very low40.9Very low72 Ų72144 Ų14474%0.74284%0.843SS**  trans-66.9137.9168.200000111E259E259-G261 PolarHBondContact O-N 3.02Å
262S39.1Very low38.5Very low201 Ų201140.1 Ų140.1100%1.40684%0.841SS**  trans-152.90143.4-76.40000108.2

Retrieved 262 of 262 residues in 493.6 ms (Link to these results)