A0A087XUK6_POEFO Loading...

Small nuclear ribonucleoprotein polypeptide A'

Involved in pre-mRNA splicing as component of the spliceosome. Associated with sn-RNP U2, where it contributes to the binding of stem loop IV of U2 snRNA.

AlphaFold DB , UniProt , Accession A0A087XUK6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 339 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
1M66.9Low93Very high156 Ų15677.2 Ų77.277%0.76839%0.392SS*.  0117.60-178.3176.4-93.300106.1P32M1-P32 HydrophobicContact CE-CB 3.38Å; M1-P32 HydrophobicContact CE-CG 4.13Å; M1-P32 HydrophobicContact CG-CB 3.77Å; M1-P32 HydrophobicContact CG-CG 3.46Å; M1-P32 VanDerWaalsContact CG-CG 3.46Å; M1-P32 HydrophobicContact SD-CB 3.44Å; M1-P32 WeakPolarHBondContact SD-CB 3.45Å; M1-P32 HydrophobicContact SD-CG 3.47Å; M1-P32 WeakPolarHBondContact SD-CG 3.43Å
2V87.8Confident93.5Very high65 Ų6571.3 Ų71.339%0.39436%0.363SS..  trans-91.3132.1-176.7-177.80000108.1L8 Y29 P32V2-L8 HydrophobicContact CG1-CD2 4.22Å; V2-Y29 VanDerWaalsContact CB-O 3.24Å; V2-Y29 WeakPolarHBondContact CB-O 3.4Å; V2-Y29 VanDerWaalsContact CG2-O 3.24Å; V2-Y29 WeakPolarHBondContact CG2-O 3.47Å; V2-P32 WeakPolarHBondContact O-CD 3.44Å
3K93.5Very high93.8Very high124 Ų12470 Ų7054%0.53937%0.37SS..  trans-79138.5175-165.9-177.7-179.7-177.90109S5 E35K3-S5 PolarHBondContact O-N 3.32Å; K3-E35 WeakPolarHBondContact CE-OE1 3.31Å; K3-E35 WeakPolarHBondContact CE-OE2 3.44Å; K3-E35 WeakPolarHBondContact CG-OE1 3.47Å; K3-E35 IonicContact NZ-OE2 2.87Å; K3-E35 PolarHBondContact NZ-OE2 3.32Å
4L96.4Very high94.1Very high0 Ų070.9 Ų70.90%037%0.371CS..  trans-73.796.3170.8-177.155.1000109L8 I9 L26 I31 L34 E35 N36 L37 F49L4-L8 HydrophobicContact CD1-CD2 4Å; L4-I9 HydrophobicContact CD1-CD1 4.05Å; L4-I9 HydrophobicContact CD1-CG1 3.78Å; L4-I9 HydrophobicContact CG-CD1 4.28Å; L4-L26 HydrophobicContact CD1-CD1 4.23Å; L4-L26 HydrophobicContact CD1-CD2 4.34Å; L4-I31 HydrophobicContact CB-CG2 3.92Å; L4-I31 HydrophobicContact CD1-CD1 4.02Å; L4-I31 HydrophobicContact CD2-CG2 4.4Å; L4-L34 HydrophobicContact CD2-CD2 4.43Å; L4-E35 HydrophobicContact CB-CG 4.26Å; L4-E35 WeakPolarHBondContact CD2-O 3.3Å; L4-E35 WeakPolarHBondContact CG-O 3.33Å; L4-N36 PolarHBondContact O-ND2 3.38Å; L4-L37 HydrophobicContact CD2-CD2 3.88Å; L4-L37 HydrophobicContact CD2-CG 4.25Å; L4-F49 HydrophobicContact CD2-CE1 3.97Å
5S97.2Very high94.4Very high41 Ų4171.9 Ų71.929%0.28737%0.369SS..  trans-98.3162.8178.764.80000111.5K3 E7 L8 I9K3-S5 PolarHBondContact O-N 3.32Å; S5-E7 VanDerWaalsContact C-N 3.3Å; S5-E7 PolarHBondContact O-N 3.16Å; S5-L8 PolarHBondContact O-N 3.02Å; S5-L8 WeakPolarHBondContact OG-CB 3.24Å; S5-L8 PolarHBondContact OG-N 3.39Å; S5-L8 VanDerWaalsContact OG-N 3.14Å; S5-I9 WeakPolarHBondContact O-CG1 3.17Å; S5-I9 PolarHBondContact O-N 3.2Å
6A96.6Very high94.6Very high41 Ų4173.8 Ų73.834%0.33939%0.385SS..Hα-helixtrans-59.8-42.1171.800000111.6L8 I9 E10 A39A6-L8 VanDerWaalsContact C-N 3.32Å; A6-L8 PolarHBondContact O-N 2.83Å; A6-I9 WeakPolarHBondContact O-CB 3.39Å; A6-I9 PolarHBondContact O-N 3.4Å; A6-I9 VanDerWaalsContact O-N 3.09Å; A6-E10 WeakPolarHBondContact O-CG 3.38Å; A6-E10 PolarHBondContact O-N 3.28Å; A6-A39 HydrophobicContact CB-CB 3.66Å
7E97Very high94.9Very high123 Ų12370.3 Ų70.358%0.57537%0.367SS*.Hα-helixtrans-58.8-41.8176.6-177.1179.7-173.300112.2S5 I9 E10 Q11S5-E7 VanDerWaalsContact C-N 3.3Å; S5-E7 PolarHBondContact O-N 3.16Å; E7-I9 VanDerWaalsContact C-N 3.31Å; E7-I9 PolarHBondContact O-N 2.71Å; E7-E10 PolarHBondContact O-N 3.4Å; E7-Q11 WeakPolarHBondContact O-CB 3.45Å; E7-Q11 VanDerWaalsContact O-CG 3.31Å; E7-Q11 WeakPolarHBondContact O-CG 3.24Å; E7-Q11 PolarHBondContact O-N 3.39Å; E7-Q11 PolarHBondContact OE1-NE2 3.45Å; E7-Q11 VanDerWaalsContact OE1-NE2 3.08Å
8L97.4Very high95.1Very high20 Ų2073.9 Ų73.911%0.10540%0.396CS..Hα-helixtrans-62-41.3175.818064000111.3V2 L4 S5 A6 Q11 A12 L26 Y29 I31V2-L8 HydrophobicContact CG1-CD2 4.22Å; L4-L8 HydrophobicContact CD1-CD2 4Å; S5-L8 PolarHBondContact O-N 3.02Å; S5-L8 WeakPolarHBondContact OG-CB 3.24Å; S5-L8 PolarHBondContact OG-N 3.39Å; S5-L8 VanDerWaalsContact OG-N 3.14Å; A6-L8 VanDerWaalsContact C-N 3.32Å; A6-L8 PolarHBondContact O-N 2.83Å; L8-Q11 PolarHBondContact O-N 2.89Å; L8-A12 VanDerWaalsContact O-CB 3.29Å; L8-A12 WeakPolarHBondContact O-CB 3.48Å; L8-A12 PolarHBondContact O-N 2.92Å; L8-L26 HydrophobicContact CG-CD2 4.5Å; L8-Y29 HydrophobicContact CD1-CD1 3.89Å; L8-Y29 HydrophobicContact CD1-CD2 4.43Å; L8-Y29 HydrophobicContact CD1-CE1 3.72Å; L8-Y29 HydrophobicContact CD1-CE2 4.29Å; L8-Y29 HydrophobicContact CD1-CG 4.25Å; L8-Y29 HydrophobicContact CD2-CG 4.27Å; L8-I31 HydrophobicContact CD2-CD1 4.38Å
9I97.8Very high95.2Very high3 Ų375.7 Ų75.72%0.01541%0.409CS..Hα-helixtrans-65.6-41.1178.5-69.3165.4000111.1L4 S5 A6 E7 L24 N36 L37 A39 T40L4-I9 HydrophobicContact CD1-CD1 4.05Å; L4-I9 HydrophobicContact CD1-CG1 3.78Å; L4-I9 HydrophobicContact CG-CD1 4.28Å; S5-I9 WeakPolarHBondContact O-CG1 3.17Å; S5-I9 PolarHBondContact O-N 3.2Å; A6-I9 WeakPolarHBondContact O-CB 3.39Å; A6-I9 PolarHBondContact O-N 3.4Å; A6-I9 VanDerWaalsContact O-N 3.09Å; E7-I9 VanDerWaalsContact C-N 3.31Å; E7-I9 PolarHBondContact O-N 2.71Å; I9-L24 HydrophobicContact CG2-CD2 4.11Å; I9-N36 WeakPolarHBondContact CD1-O 3.46Å; I9-L37 HydrophobicContact CD1-CD2 4.24Å; I9-A39 HydrophobicContact CB-CB 4.34Å; I9-A39 HydrophobicContact CD1-CB 4.04Å; I9-A39 HydrophobicContact CG2-CB 4.22Å; I9-T40 HydrophobicContact CD1-CG2 4.44Å; I9-T40 HydrophobicContact CG2-CG2 3.89Å
10E95.9Very high95.3Very high139 Ų13982.7 Ų82.765%0.6543%0.429SS*.Hα-helixtrans-67.1-36.4179.2-73.2173.8-171.600112.5A6 E7A6-E10 WeakPolarHBondContact O-CG 3.38Å; A6-E10 PolarHBondContact O-N 3.28Å; E7-E10 PolarHBondContact O-N 3.4Å
11Q97.1Very high95.5Very high137 Ų13780.2 Ų80.264%0.6442%0.417SS*.Hα-helixtrans-85.3-16.9-179.4-66.9173.610.800113.7E7 L8E7-Q11 WeakPolarHBondContact O-CB 3.45Å; E7-Q11 VanDerWaalsContact O-CG 3.31Å; E7-Q11 WeakPolarHBondContact O-CG 3.24Å; E7-Q11 PolarHBondContact O-N 3.39Å; E7-Q11 PolarHBondContact OE1-NE2 3.45Å; E7-Q11 VanDerWaalsContact OE1-NE2 3.08Å; L8-Q11 PolarHBondContact O-N 2.89Å
12A98Very high97Very high6 Ų676.5 Ų76.55%0.0539%0.394CS..SBendtrans-62.4151.7-179.800000112.1L8 Q14 L24 D25 L26L8-A12 VanDerWaalsContact O-CB 3.29Å; L8-A12 WeakPolarHBondContact O-CB 3.48Å; L8-A12 PolarHBondContact O-N 2.92Å; A12-Q14 PolarHBondContact O-N 2.92Å; A12-L24 HydrophobicContact CB-CD1 3.83Å; A12-D25 WeakPolarHBondContact CB-O 3.34Å; A12-L26 HydrophobicContact CB-CD2 3.7Å
13A98.1Very high97.5Very high55 Ų5573.9 Ų73.946%0.45538%0.377SS..EExtended strand (participates in β ladder)trans-66.8135.5-18000000110.7D25A13-D25 HydrophobicContact CB-CB 4.2Å; A13-D25 PolarHBondContact O-N 2.68Å
14Q97.9Very high97.7Very high82 Ų8268 Ų6838%0.38335%0.352SS..EExtended strand (participates in β ladder)trans-131.2129.4-179.4-63.2172.85400108.7A12 R22 E23 L24 F44A12-Q14 PolarHBondContact O-N 2.92Å; Q14-R22 VanDerWaalsContact OE1-NH2 3.13Å; Q14-E23 WeakPolarHBondContact CA-O 3.32Å; Q14-L24 HydrophobicContact CG-CD1 3.65Å; Q14-F44 HydrophobicContact CB-CE1 4.22Å; Q14-F44 HydrophobicContact CG-CE1 3.74Å; Q14-F44 HydrophobicContact CG-CZ 3.89Å
15Y98.4Very high97.8Very high87 Ų8769.6 Ų69.634%0.34136%0.36SS..EExtended strand (participates in β ladder)trans-154.9172.1-177.851.3-90.9000111.6N17 E23 D25Y15-N17 HydrophobicContact CD2-CB 4.46Å; Y15-N17 HydrophobicContact CE2-CB 4.25Å; Y15-E23 HydrophobicContact CE2-CB 4.29Å; Y15-E23 HydrophobicContact CE2-CG 4.45Å; Y15-E23 PolarHBondContact N-O 3.24Å; Y15-E23 VanDerWaalsContact N-O 3.12Å; Y15-E23 PolarHBondContact O-N 2.87Å; Y15-E23 PolarHBondContact OH-OE1 2.93Å; Y15-D25 HydrophobicContact CE1-CB 3.89Å
16T98.4Very high97.9Very high102 Ų10267.6 Ų67.663%0.62635%0.347SS*.EExtended strand (participates in β ladder)trans-90.1121.4166.8-580000108R20 D21T16-R20 HydrophobicContact CG2-CB 4.45Å; T16-D21 WeakPolarHBondContact CA-O 3.48Å
17N98.3Very high98Very high14 Ų1471 Ų718%0.07535%0.351CS..  trans-80174.8-177.376.410.7000111.8Y15 V19 R20 D21 E23Y15-N17 HydrophobicContact CD2-CB 4.46Å; Y15-N17 HydrophobicContact CE2-CB 4.25Å; N17-V19 PolarHBondContact O-N 3.33Å; N17-V19 VanDerWaalsContact O-N 3.15Å; N17-V19 WeakPolarHBondContact OD1-CG2 3.17Å; N17-V19 PolarHBondContact OD1-N 3.36Å; N17-V19 VanDerWaalsContact OD1-N 3.1Å; N17-R20 WeakPolarHBondContact O-CA 3.45Å; N17-R20 PolarHBondContact O-N 2.75Å; N17-R20 PolarHBondContact OD1-N 2.87Å; N17-D21 PolarHBondContact N-O 2.89Å; N17-D21 WeakPolarHBondContact OD1-CB 3.41Å; N17-D21 PolarHBondContact OD1-N 2.94Å; N17-D21 PolarHBondContact OD1-O 3.22Å; N17-E23 HydrophobicContact CB-CB 4.03Å; N17-E23 WeakPolarHBondContact CB-OE2 3.46Å; N17-E23 PolarHBondContact ND2-OE2 3.27Å
18P98.5Very high98Very high136 Ų13667.2 Ų67.288%0.88335%0.345SS*.THydrogen-bonded Turntrans-61.3-22.7-177.1-27.236.9000115.5R20P18-R20 VanDerWaalsContact C-N 3.28Å
19V97.3Very high98Very high107 Ų10770.4 Ų70.465%0.64836%0.356SS*.THydrogen-bonded Turntrans-91.29.5175.2-60.40000112.8N17 D21N17-V19 PolarHBondContact O-N 3.33Å; N17-V19 VanDerWaalsContact O-N 3.15Å; N17-V19 WeakPolarHBondContact OD1-CG2 3.17Å; N17-V19 PolarHBondContact OD1-N 3.36Å; N17-V19 VanDerWaalsContact OD1-N 3.1Å; V19-D21 VanDerWaalsContact C-N 3.31Å; V19-D21 HydrophobicContact CG2-CB 4.27Å
20R97.8Very high97.9Very high216 Ų21676.4 Ų76.482%0.81538%0.382SS*.SBendtrans69.121.9178.4-53.4178.2173.9169.7-2.5115T16 N17 P18T16-R20 HydrophobicContact CG2-CB 4.45Å; N17-R20 WeakPolarHBondContact O-CA 3.45Å; N17-R20 PolarHBondContact O-N 2.75Å; N17-R20 PolarHBondContact OD1-N 2.87Å; P18-R20 VanDerWaalsContact C-N 3.28Å
21D98.3Very high98Very high31 Ų3169.8 Ų69.817%0.16635%0.351CS..  trans-86.6146.5171.7-84.5-8.7000110.5T16 N17 V19 E23 D45 T46T16-D21 WeakPolarHBondContact CA-O 3.48Å; N17-D21 PolarHBondContact N-O 2.89Å; N17-D21 WeakPolarHBondContact OD1-CB 3.41Å; N17-D21 PolarHBondContact OD1-N 2.94Å; N17-D21 PolarHBondContact OD1-O 3.22Å; V19-D21 VanDerWaalsContact C-N 3.31Å; V19-D21 HydrophobicContact CG2-CB 4.27Å; D21-E23 PolarHBondContact O-N 3.44Å; D21-D45 HydrophobicContact CB-CB 3.67Å; D21-T46 PolarHBondContact OD2-OG1 3.27Å
22R98.5Very high98Very high78 Ų7863.9 Ų63.929%0.29433%0.325SS..EExtended strand (participates in β ladder)trans-76.1116.2168.8-169.9174.9173.2-164-8.6108.5Q14 Q43 F44 D45 T46Q14-R22 VanDerWaalsContact OE1-NH2 3.13Å; R22-Q43 WeakPolarHBondContact CD-O 3.37Å; R22-Q43 VanDerWaalsContact CZ-OE1 3.25Å; R22-F44 HydrophobicContact CG-CD1 3.87Å; R22-F44 HydrophobicContact CG-CE1 4.25Å; R22-D45 PolarHBondContact N-OD2 3.27Å; R22-D45 PolarHBondContact O-N 3.2Å; R22-T46 PolarHBondContact O-N 3.35Å; R22-T46 VanDerWaalsContact O-N 3.15Å
23E98.8Very high98Very high9 Ų967 Ų674%0.04234%0.343CS..EExtended strand (participates in β ladder)trans-112.3137.8-173.4-173.8166.714800111.7Q14 Y15 N17 D21 T46Q14-E23 WeakPolarHBondContact CA-O 3.32Å; Y15-E23 HydrophobicContact CE2-CB 4.29Å; Y15-E23 HydrophobicContact CE2-CG 4.45Å; Y15-E23 PolarHBondContact N-O 3.24Å; Y15-E23 VanDerWaalsContact N-O 3.12Å; Y15-E23 PolarHBondContact O-N 2.87Å; Y15-E23 PolarHBondContact OH-OE1 2.93Å; N17-E23 HydrophobicContact CB-CB 4.03Å; N17-E23 WeakPolarHBondContact CB-OE2 3.46Å; N17-E23 PolarHBondContact ND2-OE2 3.27Å; D21-E23 PolarHBondContact O-N 3.44Å; E23-T46 VanDerWaalsContact CA-O 3.31Å; E23-T46 WeakPolarHBondContact CA-O 3.39Å; E23-T46 HydrophobicContact CG-CG2 3.88Å
24L98.8Very high97.9Very high0 Ų064.6 Ų64.60%032%0.323CS..EExtended strand (participates in β ladder)trans-106.3122.4168.4179.567.9000109.1I9 A12 Q14 L26 T40 F44 T46 I47 D48I9-L24 HydrophobicContact CG2-CD2 4.11Å; A12-L24 HydrophobicContact CB-CD1 3.83Å; Q14-L24 HydrophobicContact CG-CD1 3.65Å; L24-L26 HydrophobicContact CD2-CD1 3.78Å; L24-L26 HydrophobicContact CD2-CG 4.17Å; L24-L26 HydrophobicContact CG-CD1 4.23Å; L24-L26 HydrophobicContact CG-CG 4.09Å; L24-T40 HydrophobicContact CD2-CG2 3.9Å; L24-F44 HydrophobicContact CB-CD1 3.69Å; L24-F44 HydrophobicContact CB-CD2 4.17Å; L24-F44 HydrophobicContact CB-CE1 3.79Å; L24-F44 HydrophobicContact CB-CE2 4.25Å; L24-F44 HydrophobicContact CB-CG 3.89Å; L24-F44 HydrophobicContact CB-CZ 4.07Å; L24-F44 HydrophobicContact CD1-CE1 4.24Å; L24-F44 HydrophobicContact CD1-CE2 4.44Å; L24-F44 HydrophobicContact CD1-CZ 3.96Å; L24-F44 HydrophobicContact CD2-CD2 4.35Å; L24-F44 HydrophobicContact CD2-CE2 4.12Å; L24-F44 HydrophobicContact CD2-CZ 4.44Å; L24-F44 HydrophobicContact CG-CZ 4.39Å; L24-T46 PolarHBondContact N-O 3.03Å; L24-T46 VanDerWaalsContact N-O 3.1Å; L24-I47 HydrophobicContact CB-CG1 4.23Å; L24-I47 HydrophobicContact CB-CG2 4.35Å; L24-I47 HydrophobicContact CD2-CG2 4.31Å; L24-D48 PolarHBondContact O-N 3.18Å
25D98.6Very high97.8Very high34 Ų3463.2 Ų63.218%0.18232%0.316CS..EExtended strand (participates in β ladder)trans-95.6109.1-179.8-171.7-15.2000110.9A12 A13 Y15 R27A12-D25 WeakPolarHBondContact CB-O 3.34Å; A13-D25 HydrophobicContact CB-CB 4.2Å; A13-D25 PolarHBondContact O-N 2.68Å; Y15-D25 HydrophobicContact CE1-CB 3.89Å; D25-R27 VanDerWaalsContact OD1-CB 3.23Å; D25-R27 WeakPolarHBondContact OD1-CB 3.41Å; D25-R27 WeakPolarHBondContact OD1-CG 3.42Å; D25-R27 PolarHBondContact OD1-N 3.01Å
26L98.3Very high97.7Very high0 Ų062.7 Ų62.70%032%0.319CS..  trans-116.230.8175.6-67.9169.7000111.2L4 L8 A12 L24 Y29 I31 I47 D48 F49 N52L4-L26 HydrophobicContact CD1-CD1 4.23Å; L4-L26 HydrophobicContact CD1-CD2 4.34Å; L8-L26 HydrophobicContact CG-CD2 4.5Å; A12-L26 HydrophobicContact CB-CD2 3.7Å; L24-L26 HydrophobicContact CD2-CD1 3.78Å; L24-L26 HydrophobicContact CD2-CG 4.17Å; L24-L26 HydrophobicContact CG-CD1 4.23Å; L24-L26 HydrophobicContact CG-CG 4.09Å; L26-Y29 HydrophobicContact CD2-CD2 4.47Å; L26-Y29 HydrophobicContact CD2-CE2 4.39Å; L26-I31 HydrophobicContact CB-CD1 4.37Å; L26-I47 HydrophobicContact CD1-CG2 4.02Å; L26-D48 CarbonylContact C-O 3.56Å; L26-D48 VanDerWaalsContact C-O 3.31Å; L26-D48 VanDerWaalsContact CA-O 3.27Å; L26-D48 WeakPolarHBondContact CA-O 3.48Å; L26-D48 WeakPolarHBondContact CB-O 3.43Å; L26-D48 PolarHBondContact N-O 3.1Å; L26-F49 HydrophobicContact CB-CD1 3.94Å; L26-F49 HydrophobicContact CB-CE1 4.05Å; L26-F49 HydrophobicContact CD1-CD1 4.09Å; L26-F49 HydrophobicContact CD1-CE1 3.32Å; L26-F49 HydrophobicContact CD1-CZ 3.66Å; L26-F49 HydrophobicContact CG-CE1 4.32Å; L26-N52 PolarHBondContact O-ND2 2.85Å
27R98.2Very high97.7Very high111 Ų11157.9 Ų57.942%0.41929%0.29SS..THydrogen-bonded Turntrans-69.9144.4-178.4-67.6176.4177.6160.39112.9D25 Y29 D48 S50D25-R27 VanDerWaalsContact OD1-CB 3.23Å; D25-R27 WeakPolarHBondContact OD1-CB 3.41Å; D25-R27 WeakPolarHBondContact OD1-CG 3.42Å; D25-R27 PolarHBondContact OD1-N 3.01Å; R27-Y29 VanDerWaalsContact C-N 3.29Å; R27-Y29 WeakPolarHBondContact O-CD2 3.38Å; R27-Y29 PolarHBondContact O-N 3.37Å; R27-Y29 VanDerWaalsContact O-N 3.17Å; R27-D48 HydrophobicContact CG-CB 4.32Å; R27-D48 WeakPolarHBondContact CG-OD1 3.37Å; R27-D48 IonicContact CZ-OD2 3.46Å; R27-D48 IonicContact NE-OD1 3.87Å; R27-D48 PolarHBondContact NE-OD1 2.78Å; R27-D48 IonicContact NE-OD2 2.81Å; R27-D48 PolarHBondContact NE-OD2 3.41Å; R27-D48 IonicContact NH2-OD2 3.01Å; R27-D48 PolarHBondContact NH2-OD2 2.95Å; R27-S50 WeakPolarHBondContact CA-O 3.47Å
28G97.4Very high97.6Very high45 Ų4559.3 Ų59.346%0.46431%0.308SS..THydrogen-bonded Turntrans73.46.7163.300000117.1K30 S50 D51G28-K30 VanDerWaalsContact C-N 3.26Å; G28-K30 PolarHBondContact O-N 3.34Å; G28-S50 PolarHBondContact N-O 3.01Å; G28-S50 VanDerWaalsContact N-O 3.1Å; G28-D51 VanDerWaalsContact CA-O 3.28Å; G28-D51 WeakPolarHBondContact CA-O 3.37Å; G28-D51 PolarHBondContact N-O 3.5Å
29Y97.4Very high97.6Very high86 Ų8654.1 Ų54.134%0.33728%0.277SS..SBendtrans-79.7-2.3-177.8-72-67.4000114.4V2 L8 L26 R27 I31 N52V2-Y29 VanDerWaalsContact CB-O 3.24Å; V2-Y29 WeakPolarHBondContact CB-O 3.4Å; V2-Y29 VanDerWaalsContact CG2-O 3.24Å; V2-Y29 WeakPolarHBondContact CG2-O 3.47Å; L8-Y29 HydrophobicContact CD1-CD1 3.89Å; L8-Y29 HydrophobicContact CD1-CD2 4.43Å; L8-Y29 HydrophobicContact CD1-CE1 3.72Å; L8-Y29 HydrophobicContact CD1-CE2 4.29Å; L8-Y29 HydrophobicContact CD1-CG 4.25Å; L8-Y29 HydrophobicContact CD2-CG 4.27Å; L26-Y29 HydrophobicContact CD2-CD2 4.47Å; L26-Y29 HydrophobicContact CD2-CE2 4.39Å; R27-Y29 VanDerWaalsContact C-N 3.29Å; R27-Y29 WeakPolarHBondContact O-CD2 3.38Å; R27-Y29 PolarHBondContact O-N 3.37Å; R27-Y29 VanDerWaalsContact O-N 3.17Å; Y29-I31 HydrophobicContact CD2-CD1 4.47Å; Y29-I31 PolarHBondContact O-N 3.14Å; Y29-N52 PolarHBondContact N-OD1 3.46Å
30K97Very high97.6Very high129 Ų12949.2 Ų49.256%0.56125%0.247SC*.  trans57.439.2-174.2-51.6178.3-179.5177.20112.1G28 P32 N52 E53G28-K30 VanDerWaalsContact C-N 3.26Å; G28-K30 PolarHBondContact O-N 3.34Å; K30-P32 WeakPolarHBondContact O-CD 3.13Å; K30-N52 PolarHBondContact N-OD1 3.17Å; K30-E53 HydrophobicContact CB-CG 4.37Å
31I97.6Very high97.6Very high0 Ų044.9 Ų44.90%024%0.239CC..  trans-68.2124.2178.3-65.9159.3000109L4 L8 L26 Y29 V33 F49 N52 E53 V54L4-I31 HydrophobicContact CB-CG2 3.92Å; L4-I31 HydrophobicContact CD1-CD1 4.02Å; L4-I31 HydrophobicContact CD2-CG2 4.4Å; L8-I31 HydrophobicContact CD2-CD1 4.38Å; L26-I31 HydrophobicContact CB-CD1 4.37Å; Y29-I31 HydrophobicContact CD2-CD1 4.47Å; Y29-I31 PolarHBondContact O-N 3.14Å; I31-V33 VanDerWaalsContact CG2-O 3.24Å; I31-V33 WeakPolarHBondContact CG2-O 3.35Å; I31-F49 HydrophobicContact CD1-CD1 4.47Å; I31-N52 HydrophobicContact CB-CB 4.24Å; I31-N52 WeakPolarHBondContact CB-OD1 3.27Å; I31-N52 PolarHBondContact N-OD1 3.46Å; I31-E53 CarbonylContact O-C 3.03Å; I31-E53 VanDerWaalsContact O-C 3.23Å; I31-E53 WeakPolarHBondContact O-CA 3.11Å; I31-E53 PolarHBondContact O-N 3.23Å; I31-V54 HydrophobicContact CG2-CG2 4.28Å; I31-V54 WeakPolarHBondContact O-CG2 3.43Å; I31-V54 PolarHBondContact O-N 3.27Å; I31-V54 VanDerWaalsContact O-N 3.13Å
32P96.4Very high97.5Very high13 Ų1345.6 Ų45.68%0.08424%0.243CC..  trans-90.8-25.5-177.837-40.2000114.5M1 V2 K30M1-P32 HydrophobicContact CE-CB 3.38Å; M1-P32 HydrophobicContact CE-CG 4.13Å; M1-P32 HydrophobicContact CG-CB 3.77Å; M1-P32 HydrophobicContact CG-CG 3.46Å; M1-P32 VanDerWaalsContact CG-CG 3.46Å; M1-P32 HydrophobicContact SD-CB 3.44Å; M1-P32 WeakPolarHBondContact SD-CB 3.45Å; M1-P32 HydrophobicContact SD-CG 3.47Å; M1-P32 WeakPolarHBondContact SD-CG 3.43Å; V2-P32 WeakPolarHBondContact O-CD 3.44Å; K30-P32 WeakPolarHBondContact O-CD 3.13Å
33V97.4Very high97.5Very high72 Ų7245.1 Ų45.144%0.43624%0.244SC..SBendtrans-145.9135.1-168.1-179.80000107.7I31I31-V33 VanDerWaalsContact CG2-O 3.24Å; I31-V33 WeakPolarHBondContact CG2-O 3.35Å
34L97.3Very high97.5Very high4 Ų445.1 Ų45.12%0.02124%0.244CC..  trans-82119.9172.2-60.6177.9000108.6L4 L37 F49 V54 L57 D58 F60 M71L4-L34 HydrophobicContact CD2-CD2 4.43Å; L34-L37 HydrophobicContact CB-CD1 4.32Å; L34-F49 HydrophobicContact CD2-CD1 3.81Å; L34-F49 HydrophobicContact CD2-CD2 4.4Å; L34-F49 HydrophobicContact CD2-CE1 3.6Å; L34-F49 HydrophobicContact CD2-CE2 4.22Å; L34-F49 HydrophobicContact CD2-CG 4.2Å; L34-F49 HydrophobicContact CD2-CZ 3.85Å; L34-V54 HydrophobicContact CD1-CG1 4.15Å; L34-V54 HydrophobicContact CD2-CG1 4.42Å; L34-V54 HydrophobicContact CD2-CG2 3.94Å; L34-V54 HydrophobicContact CG-CG1 3.87Å; L34-V54 HydrophobicContact CG-CG2 4.26Å; L34-L57 HydrophobicContact CD1-CD1 4.26Å; L34-D58 VanDerWaalsContact CB-O 3.3Å; L34-D58 WeakPolarHBondContact CB-O 3.4Å; L34-F60 HydrophobicContact CD1-CE1 4.21Å; L34-F60 HydrophobicContact CD1-CE2 3.76Å; L34-F60 HydrophobicContact CD1-CZ 3.45Å; L34-F60 VanDerWaalsContact CD1-CZ 3.45Å; L34-M71 HydrophobicContact CD1-CE 4.17Å
35E96.1Very high97.5Very high53 Ų5345.5 Ų45.525%0.24825%0.247CC..  trans-158.3167.2-179.356.4177.7152.700109.6K3 L4 L37K3-E35 WeakPolarHBondContact CE-OE1 3.31Å; K3-E35 WeakPolarHBondContact CE-OE2 3.44Å; K3-E35 WeakPolarHBondContact CG-OE1 3.47Å; K3-E35 IonicContact NZ-OE2 2.87Å; K3-E35 PolarHBondContact NZ-OE2 3.32Å; L4-E35 HydrophobicContact CB-CG 4.26Å; L4-E35 WeakPolarHBondContact CD2-O 3.3Å; L4-E35 WeakPolarHBondContact CG-O 3.33Å; E35-L37 PolarHBondContact O-N 3.02Å
36N96.5Very high97.5Very high76 Ų7644 Ų4441%0.40624%0.238SC..  trans57.517.5176.7-52.6-50.9000115.5L4 I9 G38 A39L4-N36 PolarHBondContact O-ND2 3.38Å; I9-N36 WeakPolarHBondContact CD1-O 3.46Å; N36-G38 PolarHBondContact O-N 3.34Å; N36-A39 WeakPolarHBondContact O-CB 3.25Å; N36-A39 PolarHBondContact O-N 3.49Å; N36-A39 VanDerWaalsContact O-N 3.11Å
37L97.6Very high97.5Very high1 Ų144.1 Ų44.11%0.00524%0.239CC..G310 helixtrans-66.1-6.6178.6-69171.7000113.8L4 I9 L34 E35 A39 T40 F49 F60 P61L4-L37 HydrophobicContact CD2-CD2 3.88Å; L4-L37 HydrophobicContact CD2-CG 4.25Å; I9-L37 HydrophobicContact CD1-CD2 4.24Å; L34-L37 HydrophobicContact CB-CD1 4.32Å; E35-L37 PolarHBondContact O-N 3.02Å; L37-A39 PolarHBondContact O-N 2.86Å; L37-T40 HydrophobicContact CD2-CG2 4.21Å; L37-T40 WeakPolarHBondContact O-CB 3.4Å; L37-T40 WeakPolarHBondContact O-CG2 3.45Å; L37-T40 PolarHBondContact O-N 3.22Å; L37-T40 VanDerWaalsContact O-N 3.11Å; L37-T40 PolarHBondContact O-OG1 2.96Å; L37-F49 HydrophobicContact CD1-CZ 4.4Å; L37-F49 HydrophobicContact CD2-CE1 4.47Å; L37-F49 HydrophobicContact CD2-CZ 3.74Å; L37-F60 HydrophobicContact CD1-CD1 3.48Å; L37-F60 VanDerWaalsContact CD1-CD1 3.48Å; L37-F60 HydrophobicContact CD1-CE1 3.73Å; L37-F60 HydrophobicContact CD1-CG 4.26Å; L37-P61 VanDerWaalsContact CB-CD 3.49Å; L37-P61 HydrophobicContact CB-CG 4.08Å
38G96.9Very high97.6Very high45 Ų4538.9 Ų38.946%0.46422%0.219SC..G310 helixtrans-61.5-25.5169.300000112.8N36 T40 L41N36-G38 PolarHBondContact O-N 3.34Å; G38-T40 PolarHBondContact O-N 3.45Å; G38-L41 PolarHBondContact O-N 3.29Å; G38-L41 VanDerWaalsContact O-N 3.09Å
39A97.5Very high97.6Very high27 Ų2736.7 Ų36.722%0.22320%0.197CC..G310 helixtrans-65.3-15174.800000113.4A6 I9 N36 L37 L41A6-A39 HydrophobicContact CB-CB 3.66Å; I9-A39 HydrophobicContact CB-CB 4.34Å; I9-A39 HydrophobicContact CD1-CB 4.04Å; I9-A39 HydrophobicContact CG2-CB 4.22Å; N36-A39 WeakPolarHBondContact O-CB 3.25Å; N36-A39 PolarHBondContact O-N 3.49Å; N36-A39 VanDerWaalsContact O-N 3.11Å; L37-A39 PolarHBondContact O-N 2.86Å; A39-L41 PolarHBondContact O-N 3.03Å
40T97.5Very high97.7Very high4 Ų432.9 Ų32.93%0.02518%0.183CC..G310 helixtrans-72.3-15.4173.867.30000113.2I9 L24 L37 G38 D42 Q43 F44 I47I9-T40 HydrophobicContact CD1-CG2 4.44Å; I9-T40 HydrophobicContact CG2-CG2 3.89Å; L24-T40 HydrophobicContact CD2-CG2 3.9Å; L37-T40 HydrophobicContact CD2-CG2 4.21Å; L37-T40 WeakPolarHBondContact O-CB 3.4Å; L37-T40 WeakPolarHBondContact O-CG2 3.45Å; L37-T40 PolarHBondContact O-N 3.22Å; L37-T40 VanDerWaalsContact O-N 3.11Å; L37-T40 PolarHBondContact O-OG1 2.96Å; G38-T40 PolarHBondContact O-N 3.45Å; T40-D42 PolarHBondContact O-N 3.26Å; T40-D42 VanDerWaalsContact O-N 3.09Å; T40-Q43 PolarHBondContact O-N 3.07Å; T40-F44 HydrophobicContact CG2-CD2 4.43Å; T40-F44 HydrophobicContact CG2-CE2 4.43Å; T40-I47 HydrophobicContact CG2-CD1 4.43Å
41L97.2Very high97.8Very high124 Ų12430.8 Ų30.865%0.64918%0.178SC*.THydrogen-bonded Turntrans53.328.6179.5-55.9176.9000114.1G38 A39 Q43G38-L41 PolarHBondContact O-N 3.29Å; G38-L41 VanDerWaalsContact O-N 3.09Å; A39-L41 PolarHBondContact O-N 3.03Å; L41-Q43 HydrophobicContact CB-CG 3.96Å; L41-Q43 WeakPolarHBondContact O-CG 3.34Å; L41-Q43 PolarHBondContact O-N 2.98Å
42D97.6Very high97.8Very high47 Ų4731.1 Ų31.125%0.25118%0.18SC..THydrogen-bonded Turntrans54.132.7-179.3-16326.4000113.8T40 L63 K64 R65T40-D42 PolarHBondContact O-N 3.26Å; T40-D42 VanDerWaalsContact O-N 3.09Å; D42-L63 HydrophobicContact CB-CD2 4.15Å; D42-L63 WeakPolarHBondContact OD1-CA 3.28Å; D42-K64 PolarHBondContact OD1-N 3.13Å; D42-K64 WeakPolarHBondContact OD2-CB 3.4Å; D42-K64 PolarHBondContact OD2-N 3.3Å; D42-R65 WeakPolarHBondContact O-CB 3.24Å; D42-R65 WeakPolarHBondContact OD1-CB 3.44Å; D42-R65 PolarHBondContact OD1-N 2.87Å
43Q97.7Very high97.9Very high67 Ų6732.7 Ų32.731%0.31319%0.186SC..  trans-91-14.2-173-64.5-171.416.200114.5R22 T40 L41R22-Q43 WeakPolarHBondContact CD-O 3.37Å; R22-Q43 VanDerWaalsContact CZ-OE1 3.25Å; T40-Q43 PolarHBondContact O-N 3.07Å; L41-Q43 HydrophobicContact CB-CG 3.96Å; L41-Q43 WeakPolarHBondContact O-CG 3.34Å; L41-Q43 PolarHBondContact O-N 2.98Å
44F98.6Very high97.9Very high9 Ų929.2 Ų29.24%0.03917%0.165CC..  trans-106.9141.1-168.4-55.6-82.9000112.1Q14 R22 L24 T40 I47Q14-F44 HydrophobicContact CB-CE1 4.22Å; Q14-F44 HydrophobicContact CG-CE1 3.74Å; Q14-F44 HydrophobicContact CG-CZ 3.89Å; R22-F44 HydrophobicContact CG-CD1 3.87Å; R22-F44 HydrophobicContact CG-CE1 4.25Å; L24-F44 HydrophobicContact CB-CD1 3.69Å; L24-F44 HydrophobicContact CB-CD2 4.17Å; L24-F44 HydrophobicContact CB-CE1 3.79Å; L24-F44 HydrophobicContact CB-CE2 4.25Å; L24-F44 HydrophobicContact CB-CG 3.89Å; L24-F44 HydrophobicContact CB-CZ 4.07Å; L24-F44 HydrophobicContact CD1-CE1 4.24Å; L24-F44 HydrophobicContact CD1-CE2 4.44Å; L24-F44 HydrophobicContact CD1-CZ 3.96Å; L24-F44 HydrophobicContact CD2-CD2 4.35Å; L24-F44 HydrophobicContact CD2-CE2 4.12Å; L24-F44 HydrophobicContact CD2-CZ 4.44Å; L24-F44 HydrophobicContact CG-CZ 4.39Å; T40-F44 HydrophobicContact CG2-CD2 4.43Å; T40-F44 HydrophobicContact CG2-CE2 4.43Å; F44-I47 HydrophobicContact CB-CG1 4.23Å
45D98.8Very high97.9Very high9 Ų935.3 Ų35.35%0.04819%0.188CC..SBendtrans-87.1-32.8172.8-61.1-77.5000110.7D21 R22 R65 K67 T68D21-D45 HydrophobicContact CB-CB 3.67Å; R22-D45 PolarHBondContact N-OD2 3.27Å; R22-D45 PolarHBondContact O-N 3.2Å; D45-R65 VanDerWaalsContact CG-NE 3.32Å; D45-R65 WeakPolarHBondContact OD1-CG 3.22Å; D45-R65 IonicContact OD1-CZ 3.63Å; D45-R65 IonicContact OD1-NE 3.73Å; D45-R65 PolarHBondContact OD1-NE 3.4Å; D45-R65 VanDerWaalsContact OD1-NE 3.07Å; D45-R65 IonicContact OD1-NH2 2.96Å; D45-R65 IonicContact OD2-CZ 3.45Å; D45-R65 IonicContact OD2-NE 2.64Å; D45-R65 PolarHBondContact OD2-NE 2.89Å; D45-R65 VanDerWaalsContact OD2-NE 3.1Å; D45-R65 IonicContact OD2-NH2 3.41Å; D45-R65 PolarHBondContact OD2-NH2 3.42Å; D45-K67 HydrophobicContact CB-CD 4.44Å; D45-K67 PolarHBondContact O-N 3.43Å; D45-K67 IonicContact OD1-NZ 3.96Å; D45-K67 PolarHBondContact OD1-NZ 3.24Å; D45-T68 PolarHBondContact O-N 2.91Å
46T98.9Very high98Very high2 Ų236.9 Ų36.91%0.01219%0.194CC..EExtended strand (participates in β ladder)trans-128139.3178.5-61.80000110.7D21 R22 E23 L24 T68 L70D21-T46 PolarHBondContact OD2-OG1 3.27Å; R22-T46 PolarHBondContact O-N 3.35Å; R22-T46 VanDerWaalsContact O-N 3.15Å; E23-T46 VanDerWaalsContact CA-O 3.31Å; E23-T46 WeakPolarHBondContact CA-O 3.39Å; E23-T46 HydrophobicContact CG-CG2 3.88Å; L24-T46 PolarHBondContact N-O 3.03Å; L24-T46 VanDerWaalsContact N-O 3.1Å; T46-T68 WeakPolarHBondContact CA-O 3.41Å; T46-T68 HydrophobicContact CG2-CG2 3.92Å; T46-T68 WeakPolarHBondContact OG1-CB 3.4Å; T46-L70 HydrophobicContact CG2-CD1 4.28Å; T46-L70 HydrophobicContact CG2-CG 4.4Å
47I98.8Very high98Very high2 Ų233.3 Ų33.31%0.0117%0.174CC..EExtended strand (participates in β ladder)trans-126.4130.8165.6-56.9168.8000108.8L24 L26 T40 F44 F49 L66 T68 L69 L70L24-I47 HydrophobicContact CB-CG1 4.23Å; L24-I47 HydrophobicContact CB-CG2 4.35Å; L24-I47 HydrophobicContact CD2-CG2 4.31Å; L26-I47 HydrophobicContact CD1-CG2 4.02Å; T40-I47 HydrophobicContact CG2-CD1 4.43Å; F44-I47 HydrophobicContact CB-CG1 4.23Å; I47-F49 HydrophobicContact CB-CD2 4.44Å; I47-F49 HydrophobicContact CB-CE2 3.96Å; I47-F49 HydrophobicContact CG2-CD2 3.73Å; I47-F49 HydrophobicContact CG2-CE1 4.35Å; I47-F49 HydrophobicContact CG2-CE2 3.21Å; I47-F49 HydrophobicContact CG2-CG 4.47Å; I47-F49 HydrophobicContact CG2-CZ 3.55Å; I47-L66 HydrophobicContact CB-CD1 4.24Å; I47-L66 HydrophobicContact CD1-CD1 3.79Å; I47-L66 HydrophobicContact CD1-CD2 3.98Å; I47-L66 HydrophobicContact CG1-CD1 3.61Å; I47-T68 PolarHBondContact N-O 3.26Å; I47-T68 VanDerWaalsContact N-O 3.12Å; I47-L69 HydrophobicContact CB-CD2 4.31Å; I47-L70 PolarHBondContact O-N 3.42Å; I47-L70 VanDerWaalsContact O-N 3.16Å
48D98.8Very high97.9Very high1 Ų135.3 Ų35.31%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-104.8113.2177.2-161.9-33.7000112L24 L26 R27 S50 L70L24-D48 PolarHBondContact O-N 3.18Å; L26-D48 CarbonylContact C-O 3.56Å; L26-D48 VanDerWaalsContact C-O 3.31Å; L26-D48 VanDerWaalsContact CA-O 3.27Å; L26-D48 WeakPolarHBondContact CA-O 3.48Å; L26-D48 WeakPolarHBondContact CB-O 3.43Å; L26-D48 PolarHBondContact N-O 3.1Å; R27-D48 HydrophobicContact CG-CB 4.32Å; R27-D48 WeakPolarHBondContact CG-OD1 3.37Å; R27-D48 IonicContact CZ-OD2 3.46Å; R27-D48 IonicContact NE-OD1 3.87Å; R27-D48 PolarHBondContact NE-OD1 2.78Å; R27-D48 IonicContact NE-OD2 2.81Å; R27-D48 PolarHBondContact NE-OD2 3.41Å; R27-D48 IonicContact NH2-OD2 3.01Å; R27-D48 PolarHBondContact NH2-OD2 2.95Å; D48-S50 WeakPolarHBondContact OD1-CA 3.49Å; D48-S50 WeakPolarHBondContact OD1-CB 3.46Å; D48-S50 PolarHBondContact OD1-N 2.96Å; D48-S50 PolarHBondContact OD1-OG 3Å; D48-L70 HydrophobicContact CB-CB 4.21Å; D48-L70 HydrophobicContact CB-CD1 4.17Å; D48-L70 VanDerWaalsContact OD2-CD1 3.22Å; D48-L70 WeakPolarHBondContact OD2-CD1 3.41Å
49F98.8Very high97.9Very high0 Ų035.1 Ų35.10%018%0.183CC..  trans-107.520.8175-70.5-77.4000112.7L4 L26 I31 L34 L37 I47 N52 L69 L70 M71 N74L4-F49 HydrophobicContact CD2-CE1 3.97Å; L26-F49 HydrophobicContact CB-CD1 3.94Å; L26-F49 HydrophobicContact CB-CE1 4.05Å; L26-F49 HydrophobicContact CD1-CD1 4.09Å; L26-F49 HydrophobicContact CD1-CE1 3.32Å; L26-F49 HydrophobicContact CD1-CZ 3.66Å; L26-F49 HydrophobicContact CG-CE1 4.32Å; I31-F49 HydrophobicContact CD1-CD1 4.47Å; L34-F49 HydrophobicContact CD2-CD1 3.81Å; L34-F49 HydrophobicContact CD2-CD2 4.4Å; L34-F49 HydrophobicContact CD2-CE1 3.6Å; L34-F49 HydrophobicContact CD2-CE2 4.22Å; L34-F49 HydrophobicContact CD2-CG 4.2Å; L34-F49 HydrophobicContact CD2-CZ 3.85Å; L37-F49 HydrophobicContact CD1-CZ 4.4Å; L37-F49 HydrophobicContact CD2-CE1 4.47Å; L37-F49 HydrophobicContact CD2-CZ 3.74Å; I47-F49 HydrophobicContact CB-CD2 4.44Å; I47-F49 HydrophobicContact CB-CE2 3.96Å; I47-F49 HydrophobicContact CG2-CD2 3.73Å; I47-F49 HydrophobicContact CG2-CE1 4.35Å; I47-F49 HydrophobicContact CG2-CE2 3.21Å; I47-F49 HydrophobicContact CG2-CG 4.47Å; I47-F49 HydrophobicContact CG2-CZ 3.55Å; F49-N52 VanDerWaalsContact C-ND2 3.33Å; F49-N52 PolarHBondContact O-ND2 3.02Å; F49-L69 HydrophobicContact CD2-CD2 4.28Å; F49-L69 HydrophobicContact CE2-CD2 4.18Å; F49-L70 WeakPolarHBondContact CA-O 3.37Å; F49-L70 PolarHBondContact N-O 2.89Å; F49-M71 HydrophobicContact CB-CE 3.88Å; F49-M71 HydrophobicContact CB-SD 3.61Å; F49-M71 HydrophobicContact CD2-CE 4.38Å; F49-M71 HydrophobicContact CD2-SD 3.6Å; F49-M71 VanDerWaalsContact CD2-SD 3.6Å; F49-M71 HydrophobicContact CG-CE 4.3Å; F49-M71 HydrophobicContact CG-SD 3.95Å; F49-N74 PolarHBondContact O-ND2 3.01Å
50S98.8Very high97.9Very high6 Ų634.5 Ų34.54%0.04218%0.176CC..THydrogen-bonded Turntrans-60149.8-177.4-55.90000111.8R27 G28 D48 N52 N72R27-S50 WeakPolarHBondContact CA-O 3.47Å; G28-S50 PolarHBondContact N-O 3.01Å; G28-S50 VanDerWaalsContact N-O 3.1Å; D48-S50 WeakPolarHBondContact OD1-CA 3.49Å; D48-S50 WeakPolarHBondContact OD1-CB 3.46Å; D48-S50 PolarHBondContact OD1-N 2.96Å; D48-S50 PolarHBondContact OD1-OG 3Å; S50-N52 PolarHBondContact O-N 3.03Å; S50-N52 PolarHBondContact O-ND2 3.4Å; S50-N72 CarbonylContact C-O 3.31Å; S50-N72 VanDerWaalsContact CA-O 3.25Å; S50-N72 WeakPolarHBondContact CA-O 3.08Å; S50-N72 WeakPolarHBondContact OG-CB 3.08Å; S50-N72 PolarHBondContact OG-ND2 2.95Å
51D98.6Very high97.9Very high84 Ų8436.5 Ų36.545%0.44919%0.188SC..THydrogen-bonded Turntrans61.141.1177.8-53-55.4000114G28 N72 N73G28-D51 VanDerWaalsContact CA-O 3.28Å; G28-D51 WeakPolarHBondContact CA-O 3.37Å; G28-D51 PolarHBondContact N-O 3.5Å; D51-N72 PolarHBondContact N-O 3.01Å; D51-N73 WeakPolarHBondContact OD1-CB 3.47Å; D51-N73 PolarHBondContact OD1-ND2 3.27Å
52N98.6Very high97.9Very high7 Ų735.2 Ų35.24%0.03718%0.182CC..SBendtrans-114-173.5173.4-77.9-66.6000111.9L26 Y29 K30 I31 F49 S50 V54 N74L26-N52 PolarHBondContact O-ND2 2.85Å; Y29-N52 PolarHBondContact N-OD1 3.46Å; K30-N52 PolarHBondContact N-OD1 3.17Å; I31-N52 HydrophobicContact CB-CB 4.24Å; I31-N52 WeakPolarHBondContact CB-OD1 3.27Å; I31-N52 PolarHBondContact N-OD1 3.46Å; F49-N52 VanDerWaalsContact C-ND2 3.33Å; F49-N52 PolarHBondContact O-ND2 3.02Å; S50-N52 PolarHBondContact O-N 3.03Å; S50-N52 PolarHBondContact O-ND2 3.4Å; N52-V54 HydrophobicContact CB-CG2 4.24Å; N52-N74 WeakPolarHBondContact CA-OD1 3.37Å; N52-N74 WeakPolarHBondContact CB-OD1 3.47Å; N52-N74 PolarHBondContact O-OD1 3.26Å
53E97.9Very high98Very high46 Ų4633.2 Ų33.222%0.21517%0.171CC..  trans-115.424.9-178.4-57.4-163.1159.100112.6K30 I31 R55 N74 R75K30-E53 HydrophobicContact CB-CG 4.37Å; I31-E53 CarbonylContact O-C 3.03Å; I31-E53 VanDerWaalsContact O-C 3.23Å; I31-E53 WeakPolarHBondContact O-CA 3.11Å; I31-E53 PolarHBondContact O-N 3.23Å; E53-R55 PolarHBondContact O-N 2.82Å; E53-N74 PolarHBondContact N-OD1 3.15Å; E53-R75 VanDerWaalsContact CD-CZ 3.44Å; E53-R75 VanDerWaalsContact CD-NH2 3.25Å; E53-R75 IonicContact OE1-CZ 2.71Å; E53-R75 IonicContact OE1-NH1 3.22Å; E53-R75 PolarHBondContact OE1-NH1 2.79Å; E53-R75 IonicContact OE1-NH2 3.85Å; E53-R75 PolarHBondContact OE1-NH2 2.96Å; E53-R75 IonicContact OE2-CZ 3.46Å; E53-R75 IonicContact OE2-NH1 3.79Å; E53-R75 PolarHBondContact OE2-NH1 3.28Å; E53-R75 IonicContact OE2-NH2 3.38Å
54V98.1Very high98Very high0 Ų036.5 Ų36.50%018%0.184CC..  trans-64.4129.6-175.11800000109.9I31 L34 N52 K56 M71 N74 R75 I76I31-V54 HydrophobicContact CG2-CG2 4.28Å; I31-V54 WeakPolarHBondContact O-CG2 3.43Å; I31-V54 PolarHBondContact O-N 3.27Å; I31-V54 VanDerWaalsContact O-N 3.13Å; L34-V54 HydrophobicContact CD1-CG1 4.15Å; L34-V54 HydrophobicContact CD2-CG1 4.42Å; L34-V54 HydrophobicContact CD2-CG2 3.94Å; L34-V54 HydrophobicContact CG-CG1 3.87Å; L34-V54 HydrophobicContact CG-CG2 4.26Å; N52-V54 HydrophobicContact CB-CG2 4.24Å; V54-K56 VanDerWaalsContact CG1-O 3.24Å; V54-K56 WeakPolarHBondContact CG1-O 3.14Å; V54-M71 HydrophobicContact CB-CE 4.29Å; V54-M71 HydrophobicContact CG1-CE 4.18Å; V54-M71 HydrophobicContact CG2-CE 4.39Å; V54-N74 VanDerWaalsContact CB-OD1 3.31Å; V54-N74 WeakPolarHBondContact CB-OD1 3.49Å; V54-N74 WeakPolarHBondContact CG2-OD1 3.37Å; V54-N74 PolarHBondContact N-OD1 3.45Å; V54-R75 CarbonylContact O-C 3.47Å; V54-R75 VanDerWaalsContact O-CA 3.3Å; V54-R75 WeakPolarHBondContact O-CA 3.33Å; V54-R75 PolarHBondContact O-N 2.93Å; V54-I76 HydrophobicContact CB-CG1 4.46Å; V54-I76 HydrophobicContact CG1-CG1 4.25Å; V54-I76 WeakPolarHBondContact O-CG1 3.13Å; V54-I76 PolarHBondContact O-N 3.24Å
55R96.8Very high98Very high132 Ų13241.2 Ų41.250%0.49820%0.202SC..  trans-102.9-22.7-178.2-72.8-172-75.7-143.5-2.2115.2E53 R75 I76 C77E53-R55 PolarHBondContact O-N 2.82Å; R55-R75 WeakPolarHBondContact CA-O 3.39Å; R55-R75 HydrophobicContact CG-CB 3.92Å; R55-I76 WeakPolarHBondContact O-CA 3.15Å; R55-C77 PolarHBondContact O-N 2.77Å; R55-C77 PolarHBondContact O-SG 2.84Å
56K97.4Very high98Very high86 Ų8640.9 Ų40.937%0.37420%0.2SC..EExtended strand (participates in β ladder)trans-135.4132.8-178-171178.4172.9-153.70108.9V54 D58 R78V54-K56 VanDerWaalsContact CG1-O 3.24Å; V54-K56 WeakPolarHBondContact CG1-O 3.14Å; K56-D58 HydrophobicContact CD-CB 4.25Å; K56-D58 VanDerWaalsContact CD-CG 3.41Å; K56-D58 WeakPolarHBondContact CD-OD1 3.31Å; K56-D58 WeakPolarHBondContact CD-OD2 3.37Å; K56-D58 VanDerWaalsContact CE-CG 3.47Å; K56-D58 WeakPolarHBondContact CE-OD2 3.24Å; K56-D58 HydrophobicContact CG-CB 4.13Å; K56-D58 WeakPolarHBondContact CG-OD1 3.37Å; K56-D58 IonicContact NZ-OD2 3.45Å; K56-D58 PolarHBondContact NZ-OD2 3.24Å; K56-D58 PolarHBondContact O-N 3.11Å; K56-R78 WeakPolarHBondContact CA-O 3.32Å; K56-R78 HydrophobicContact CG-CB 4.03Å
57L97.9Very high98Very high0 Ų043.2 Ų43.20%021%0.21CC..EExtended strand (participates in β ladder)trans-87.486.1173.3-173.570.5000108.6L34 F60 M71 I76 R78 I79 G80 L83 L93L34-L57 HydrophobicContact CD1-CD1 4.26Å; L57-F60 HydrophobicContact CD1-CE2 3.81Å; L57-F60 HydrophobicContact CD1-CZ 3.84Å; L57-F60 HydrophobicContact CG-CE2 4.16Å; L57-M71 HydrophobicContact CD1-CE 4.11Å; L57-M71 HydrophobicContact CD1-CG 4.2Å; L57-M71 HydrophobicContact CD1-SD 4.18Å; L57-I76 HydrophobicContact CB-CG2 4.29Å; L57-R78 PolarHBondContact N-O 3.06Å; L57-I79 HydrophobicContact CD2-CG2 4.38Å; L57-G80 PolarHBondContact O-N 3.2Å; L57-L83 HydrophobicContact CD2-CD2 4.17Å; L57-L93 HydrophobicContact CD2-CD1 3.95Å; L57-L93 HydrophobicContact CD2-CD2 3.76Å
58D95.8Very high98Very high43 Ų4343.7 Ų43.723%0.2321%0.213CC..  trans-157.2-165.5178.771.7-31.5000110.4L34 K56 F60L34-D58 VanDerWaalsContact CB-O 3.3Å; L34-D58 WeakPolarHBondContact CB-O 3.4Å; K56-D58 HydrophobicContact CD-CB 4.25Å; K56-D58 VanDerWaalsContact CD-CG 3.41Å; K56-D58 WeakPolarHBondContact CD-OD1 3.31Å; K56-D58 WeakPolarHBondContact CD-OD2 3.37Å; K56-D58 VanDerWaalsContact CE-CG 3.47Å; K56-D58 WeakPolarHBondContact CE-OD2 3.24Å; K56-D58 HydrophobicContact CG-CB 4.13Å; K56-D58 WeakPolarHBondContact CG-OD1 3.37Å; K56-D58 IonicContact NZ-OD2 3.45Å; K56-D58 PolarHBondContact NZ-OD2 3.24Å; K56-D58 PolarHBondContact O-N 3.11Å; D58-F60 VanDerWaalsContact C-N 3.29Å; D58-F60 WeakPolarHBondContact O-CD2 3.41Å; D58-F60 WeakPolarHBondContact O-CE2 3.43Å; D58-F60 PolarHBondContact O-N 3.1Å
59G95.3Very high98Very high41 Ų4143.6 Ų43.642%0.42321%0.213SC..  trans77.111.4173.400000115.2
60F97.9Very high98Very high15 Ų1545.2 Ų45.27%0.06622%0.221CC..  trans-78.2137.9174.7-60.8-86000111L34 L37 L57 D58 L63 L69 L83 S86 L87L34-F60 HydrophobicContact CD1-CE1 4.21Å; L34-F60 HydrophobicContact CD1-CE2 3.76Å; L34-F60 HydrophobicContact CD1-CZ 3.45Å; L34-F60 VanDerWaalsContact CD1-CZ 3.45Å; L37-F60 HydrophobicContact CD1-CD1 3.48Å; L37-F60 VanDerWaalsContact CD1-CD1 3.48Å; L37-F60 HydrophobicContact CD1-CE1 3.73Å; L37-F60 HydrophobicContact CD1-CG 4.26Å; L57-F60 HydrophobicContact CD1-CE2 3.81Å; L57-F60 HydrophobicContact CD1-CZ 3.84Å; L57-F60 HydrophobicContact CG-CE2 4.16Å; D58-F60 VanDerWaalsContact C-N 3.29Å; D58-F60 WeakPolarHBondContact O-CD2 3.41Å; D58-F60 WeakPolarHBondContact O-CE2 3.43Å; D58-F60 PolarHBondContact O-N 3.1Å; F60-L63 HydrophobicContact CD1-CD1 4.34Å; F60-L69 HydrophobicContact CE1-CD1 4.02Å; F60-L69 HydrophobicContact CE1-CD2 4.1Å; F60-L69 HydrophobicContact CE2-CD1 4.47Å; F60-L69 HydrophobicContact CZ-CD1 3.73Å; F60-L69 HydrophobicContact CZ-CD2 4.34Å; F60-L83 HydrophobicContact CD2-CD1 3.75Å; F60-L83 HydrophobicContact CE2-CD1 4.14Å; F60-S86 PolarHBondContact O-OG 2.96Å; F60-L87 HydrophobicContact CB-CD2 3.96Å; F60-L87 HydrophobicContact CB-CG 4.23Å; F60-L87 HydrophobicContact CD1-CD1 4.14Å; F60-L87 HydrophobicContact CD1-CD2 3.97Å; F60-L87 HydrophobicContact CD1-CG 4.47Å; F60-L87 HydrophobicContact CD2-CD1 4.01Å; F60-L87 HydrophobicContact CE1-CD1 4.32Å; F60-L87 HydrophobicContact CE2-CD1 4.19Å; F60-L87 HydrophobicContact CG-CD1 3.98Å; F60-L87 HydrophobicContact CG-CD2 4.01Å; F60-L87 HydrophobicContact CG-CG 4.16Å; F60-L87 HydrophobicContact CZ-CD1 4.34Å
61P97.7Very high98Very high45 Ų4545 Ų4529%0.29222%0.219SC..  trans-74.3-178.3160.536.8-38.5000109.6L37 L63 S86L37-P61 VanDerWaalsContact CB-CD 3.49Å; L37-P61 HydrophobicContact CB-CG 4.08Å; P61-L63 HydrophobicContact CG-CD1 4.39Å; P61-L63 HydrophobicContact CG-CD2 3.84Å; P61-L63 HydrophobicContact CG-CG 3.95Å; P61-L63 PolarHBondContact O-N 2.83Å; P61-L63 VanDerWaalsContact O-N 3.11Å; P61-S86 WeakPolarHBondContact O-CB 3.35Å
62L98.2Very high98Very high97 Ų9742.7 Ų42.751%0.50821%0.207SC..  trans-66.4109.4169.2179.263.6000110.2K64 Q85 S86 P88L62-K64 HydrophobicContact CD1-CG 4.19Å; L62-K64 HydrophobicContact CD2-CG 4.49Å; L62-K64 HydrophobicContact CG-CG 4.13Å; L62-Q85 VanDerWaalsContact CD1-O 3.31Å; L62-Q85 WeakPolarHBondContact CD1-O 3.21Å; L62-S86 CarbonylContact C-O 3.53Å; L62-S86 WeakPolarHBondContact CA-O 3.48Å; L62-P88 HydrophobicContact CD1-CG 4.16Å
63L98.2Very high98Very high5 Ų545.6 Ų45.63%0.02622%0.222CC..  trans-119.797.9175.3-58.1176.2000108.4D42 F60 P61 R65 L66 S86 L87D42-L63 HydrophobicContact CB-CD2 4.15Å; D42-L63 WeakPolarHBondContact OD1-CA 3.28Å; F60-L63 HydrophobicContact CD1-CD1 4.34Å; P61-L63 HydrophobicContact CG-CD1 4.39Å; P61-L63 HydrophobicContact CG-CD2 3.84Å; P61-L63 HydrophobicContact CG-CG 3.95Å; P61-L63 PolarHBondContact O-N 2.83Å; P61-L63 VanDerWaalsContact O-N 3.11Å; L63-R65 VanDerWaalsContact C-N 3.34Å; L63-L66 HydrophobicContact CB-CB 3.95Å; L63-L66 HydrophobicContact CD1-CD2 3.87Å; L63-S86 PolarHBondContact N-O 2.92Å; L63-L87 HydrophobicContact CB-CD2 3.92Å; L63-L87 HydrophobicContact CD1-CD2 4.1Å; L63-L87 HydrophobicContact CG-CD2 4.34Å
64K98.1Very high98Very high137 Ų13743.7 Ų43.760%0.59621%0.214SC*.SBendtrans-77.1-23.5-175.4-59.8178.7-179.1176.50112.5D42 L62 P88D42-K64 PolarHBondContact OD1-N 3.13Å; D42-K64 WeakPolarHBondContact OD2-CB 3.4Å; D42-K64 PolarHBondContact OD2-N 3.3Å; L62-K64 HydrophobicContact CD1-CG 4.19Å; L62-K64 HydrophobicContact CD2-CG 4.49Å; L62-K64 HydrophobicContact CG-CG 4.13Å; K64-P88 HydrophobicContact CG-CG 4.46Å
65R98.3Very high98Very high108 Ų10849 Ų4941%0.40823%0.234SC..SBendtrans-90.3-25-176.2-173.5172.5178158.4-3113.2D42 D45 L63 K67D42-R65 WeakPolarHBondContact O-CB 3.24Å; D42-R65 WeakPolarHBondContact OD1-CB 3.44Å; D42-R65 PolarHBondContact OD1-N 2.87Å; D45-R65 VanDerWaalsContact CG-NE 3.32Å; D45-R65 WeakPolarHBondContact OD1-CG 3.22Å; D45-R65 IonicContact OD1-CZ 3.63Å; D45-R65 IonicContact OD1-NE 3.73Å; D45-R65 PolarHBondContact OD1-NE 3.4Å; D45-R65 VanDerWaalsContact OD1-NE 3.07Å; D45-R65 IonicContact OD1-NH2 2.96Å; D45-R65 IonicContact OD2-CZ 3.45Å; D45-R65 IonicContact OD2-NE 2.64Å; D45-R65 PolarHBondContact OD2-NE 2.89Å; D45-R65 VanDerWaalsContact OD2-NE 3.1Å; D45-R65 IonicContact OD2-NH2 3.41Å; D45-R65 PolarHBondContact OD2-NH2 3.42Å; L63-R65 VanDerWaalsContact C-N 3.34Å; R65-K67 WeakPolarHBondContact O-CG 3.48Å; R65-K67 PolarHBondContact O-N 2.97Å
66L98.7Very high98.1Very high1 Ų142.7 Ų42.71%0.00521%0.21CC..  trans-66.8116.6-172.7-171.666000111.4I47 L63 L69 L87 D89I47-L66 HydrophobicContact CB-CD1 4.24Å; I47-L66 HydrophobicContact CD1-CD1 3.79Å; I47-L66 HydrophobicContact CD1-CD2 3.98Å; I47-L66 HydrophobicContact CG1-CD1 3.61Å; L63-L66 HydrophobicContact CB-CB 3.95Å; L63-L66 HydrophobicContact CD1-CD2 3.87Å; L66-L69 HydrophobicContact CD2-CD1 4.44Å; L66-L69 HydrophobicContact CD2-CD2 3.8Å; L66-L69 HydrophobicContact CD2-CG 4.04Å; L66-L87 HydrophobicContact CD2-CD2 3.82Å; L66-D89 CarbonylContact O-C 3.57Å
67K98.7Very high98.1Very high51 Ų5139.3 Ų39.322%0.22220%0.197CC..  trans-107.3-34-178.1-67.6155.6-170.2157.60112.8D45 R65 D89 R91 E92D45-K67 HydrophobicContact CB-CD 4.44Å; D45-K67 PolarHBondContact O-N 3.43Å; D45-K67 IonicContact OD1-NZ 3.96Å; D45-K67 PolarHBondContact OD1-NZ 3.24Å; R65-K67 WeakPolarHBondContact O-CG 3.48Å; R65-K67 PolarHBondContact O-N 2.97Å; K67-D89 WeakPolarHBondContact CA-O 3.48Å; K67-R91 PolarHBondContact O-N 3.07Å; K67-E92 PolarHBondContact O-N 3.01Å
68T98.9Very high97.9Very high12 Ų1242.3 Ų42.37%0.07421%0.208CC..EExtended strand (participates in β ladder)trans-127.6127.3-169.9-57.40000111D45 T46 I47 L70 E92D45-T68 PolarHBondContact O-N 2.91Å; T46-T68 WeakPolarHBondContact CA-O 3.41Å; T46-T68 HydrophobicContact CG2-CG2 3.92Å; T46-T68 WeakPolarHBondContact OG1-CB 3.4Å; I47-T68 PolarHBondContact N-O 3.26Å; I47-T68 VanDerWaalsContact N-O 3.12Å; T68-L70 HydrophobicContact CG2-CD2 3.95Å; T68-L70 HydrophobicContact CG2-CG 4.26Å; T68-E92 WeakPolarHBondContact CA-O 3.3Å; T68-E92 HydrophobicContact CG2-CB 4.02Å
69L98.8Very high98Very high0 Ų040.9 Ų40.90%020%0.2CC..EExtended strand (participates in β ladder)trans-118.5116.8173.1-80.9176.3000110.5I47 F49 F60 L66 M71 L87 L90 E92 L93 V94I47-L69 HydrophobicContact CB-CD2 4.31Å; F49-L69 HydrophobicContact CD2-CD2 4.28Å; F49-L69 HydrophobicContact CE2-CD2 4.18Å; F60-L69 HydrophobicContact CE1-CD1 4.02Å; F60-L69 HydrophobicContact CE1-CD2 4.1Å; F60-L69 HydrophobicContact CE2-CD1 4.47Å; F60-L69 HydrophobicContact CZ-CD1 3.73Å; F60-L69 HydrophobicContact CZ-CD2 4.34Å; L66-L69 HydrophobicContact CD2-CD1 4.44Å; L66-L69 HydrophobicContact CD2-CD2 3.8Å; L66-L69 HydrophobicContact CD2-CG 4.04Å; L69-M71 HydrophobicContact CB-CG 4.46Å; L69-L87 HydrophobicContact CD1-CD1 3.66Å; L69-L90 HydrophobicContact CB-CD1 4.24Å; L69-L90 HydrophobicContact CD1-CD1 3.9Å; L69-L90 HydrophobicContact CD1-CD2 4.44Å; L69-L90 HydrophobicContact CG-CD1 3.94Å; L69-E92 PolarHBondContact N-O 2.64Å; L69-L93 HydrophobicContact CB-CD1 3.8Å; L69-L93 HydrophobicContact CD1-CD1 4.42Å; L69-V94 PolarHBondContact O-N 3.24Å
70L98.9Very high98Very high34 Ų3439.2 Ų39.218%0.17818%0.183CC..EExtended strand (participates in β ladder)trans-99.6111.7173.6-52.6178.2000108.6T46 I47 D48 F49 T68 V94T46-L70 HydrophobicContact CG2-CD1 4.28Å; T46-L70 HydrophobicContact CG2-CG 4.4Å; I47-L70 PolarHBondContact O-N 3.42Å; I47-L70 VanDerWaalsContact O-N 3.16Å; D48-L70 HydrophobicContact CB-CB 4.21Å; D48-L70 HydrophobicContact CB-CD1 4.17Å; D48-L70 VanDerWaalsContact OD2-CD1 3.22Å; D48-L70 WeakPolarHBondContact OD2-CD1 3.41Å; F49-L70 WeakPolarHBondContact CA-O 3.37Å; F49-L70 PolarHBondContact N-O 2.89Å; T68-L70 HydrophobicContact CG2-CD2 3.95Å; T68-L70 HydrophobicContact CG2-CG 4.26Å; L70-V94 HydrophobicContact CD2-CB 4Å; L70-V94 HydrophobicContact CD2-CG2 3.74Å
71M98.7Very high97.8Very high0 Ų043.5 Ų43.50%020%0.203CC..  trans-122.232.6-174.6-56.7-63.6-58.700111.2L34 F49 V54 L57 L69 N74 I76 L93 V94 L95 N98L34-M71 HydrophobicContact CD1-CE 4.17Å; F49-M71 HydrophobicContact CB-CE 3.88Å; F49-M71 HydrophobicContact CB-SD 3.61Å; F49-M71 HydrophobicContact CD2-CE 4.38Å; F49-M71 HydrophobicContact CD2-SD 3.6Å; F49-M71 VanDerWaalsContact CD2-SD 3.6Å; F49-M71 HydrophobicContact CG-CE 4.3Å; F49-M71 HydrophobicContact CG-SD 3.95Å; V54-M71 HydrophobicContact CB-CE 4.29Å; V54-M71 HydrophobicContact CG1-CE 4.18Å; V54-M71 HydrophobicContact CG2-CE 4.39Å; L57-M71 HydrophobicContact CD1-CE 4.11Å; L57-M71 HydrophobicContact CD1-CG 4.2Å; L57-M71 HydrophobicContact CD1-SD 4.18Å; L69-M71 HydrophobicContact CB-CG 4.46Å; M71-N74 PolarHBondContact O-ND2 2.88Å; M71-I76 HydrophobicContact CB-CD1 3.81Å; M71-I76 HydrophobicContact CE-CD1 3.66Å; M71-I76 HydrophobicContact CG-CD1 4.19Å; M71-L93 HydrophobicContact CG-CD1 4.24Å; M71-V94 CarbonylContact C-O 3.06Å; M71-V94 WeakPolarHBondContact CA-O 3.07Å; M71-V94 WeakPolarHBondContact CB-O 3.4Å; M71-V94 PolarHBondContact N-O 3.16Å; M71-L95 HydrophobicContact CB-CD2 3.85Å; M71-L95 HydrophobicContact CG-CD2 4.22Å; M71-N98 PolarHBondContact O-ND2 3.14Å
72N98.6Very high97.6Very high37 Ų3745.3 Ų45.320%0.19821%0.211CC..THydrogen-bonded Turntrans-62.4149.5-175.5-55.4-77.2000111.2S50 D51 N74 V94 T96S50-N72 CarbonylContact C-O 3.31Å; S50-N72 VanDerWaalsContact CA-O 3.25Å; S50-N72 WeakPolarHBondContact CA-O 3.08Å; S50-N72 WeakPolarHBondContact OG-CB 3.08Å; S50-N72 PolarHBondContact OG-ND2 2.95Å; D51-N72 PolarHBondContact N-O 3.01Å; N72-N74 VanDerWaalsContact C-N 3.3Å; N72-N74 PolarHBondContact O-N 2.8Å; N72-N74 PolarHBondContact O-ND2 3.1Å; N72-V94 WeakPolarHBondContact OD1-CG1 3.31Å; N72-T96 WeakPolarHBondContact CA-O 3.38Å; N72-T96 WeakPolarHBondContact OD1-CB 3.41Å; N72-T96 PolarHBondContact OD1-OG1 3.37Å
73N98.7Very high97.5Very high67 Ų6741 Ų4136%0.35819%0.188SC..THydrogen-bonded Turntrans53.844.7171.1-53.3-34.7000113.3D51 T96 N97D51-N73 WeakPolarHBondContact OD1-CB 3.47Å; D51-N73 PolarHBondContact OD1-ND2 3.27Å; N73-T96 PolarHBondContact N-O 3.34Å; N73-N97 VanDerWaalsContact CA-O 3.32Å; N73-N97 WeakPolarHBondContact CA-O 3.27Å; N73-N97 PolarHBondContact N-O 2.86Å; N73-N97 WeakPolarHBondContact OD1-CB 3.47Å; N73-N97 PolarHBondContact OD1-ND2 2.98Å
74N98.8Very high97.4Very high6 Ų643.4 Ų43.43%0.03220%0.199CC..  trans-109.9-171.8174.7-88.2-89.3000110.4F49 N52 E53 V54 M71 N72 I76 N97 N98F49-N74 PolarHBondContact O-ND2 3.01Å; N52-N74 WeakPolarHBondContact CA-OD1 3.37Å; N52-N74 WeakPolarHBondContact CB-OD1 3.47Å; N52-N74 PolarHBondContact O-OD1 3.26Å; E53-N74 PolarHBondContact N-OD1 3.15Å; V54-N74 VanDerWaalsContact CB-OD1 3.31Å; V54-N74 WeakPolarHBondContact CB-OD1 3.49Å; V54-N74 WeakPolarHBondContact CG2-OD1 3.37Å; V54-N74 PolarHBondContact N-OD1 3.45Å; M71-N74 PolarHBondContact O-ND2 2.88Å; N72-N74 VanDerWaalsContact C-N 3.3Å; N72-N74 PolarHBondContact O-N 2.8Å; N72-N74 PolarHBondContact O-ND2 3.1Å; N74-I76 HydrophobicContact CB-CD1 4.24Å; N74-I76 HydrophobicContact CB-CG1 4.13Å; N74-N97 PolarHBondContact N-O 3.27Å; N74-N98 WeakPolarHBondContact CA-OD1 3.13Å; N74-N98 WeakPolarHBondContact CB-OD1 3.46Å; N74-N98 PolarHBondContact O-OD1 2.81Å
75R98Very high97.4Very high111 Ų11143 Ų4342%0.41920%0.199SC..  trans-11428.4178.9-61.5-178.3-175.7147.58.2112E53 V54 R55 C77 N98E53-R75 VanDerWaalsContact CD-CZ 3.44Å; E53-R75 VanDerWaalsContact CD-NH2 3.25Å; E53-R75 IonicContact OE1-CZ 2.71Å; E53-R75 IonicContact OE1-NH1 3.22Å; E53-R75 PolarHBondContact OE1-NH1 2.79Å; E53-R75 IonicContact OE1-NH2 3.85Å; E53-R75 PolarHBondContact OE1-NH2 2.96Å; E53-R75 IonicContact OE2-CZ 3.46Å; E53-R75 IonicContact OE2-NH1 3.79Å; E53-R75 PolarHBondContact OE2-NH1 3.28Å; E53-R75 IonicContact OE2-NH2 3.38Å; V54-R75 CarbonylContact O-C 3.47Å; V54-R75 VanDerWaalsContact O-CA 3.3Å; V54-R75 WeakPolarHBondContact O-CA 3.33Å; V54-R75 PolarHBondContact O-N 2.93Å; R55-R75 WeakPolarHBondContact CA-O 3.39Å; R55-R75 HydrophobicContact CG-CB 3.92Å; R75-C77 PolarHBondContact O-N 3.01Å; R75-C77 VanDerWaalsContact O-N 3.14Å; R75-N98 PolarHBondContact N-OD1 2.9Å
76I98.4Very high97.4Very high0 Ų039.2 Ų39.20%019%0.19CC..  trans-65.7119.2-172-62.6165.8000108.6V54 R55 L57 M71 N74 L95 N98 N99 I100V54-I76 HydrophobicContact CB-CG1 4.46Å; V54-I76 HydrophobicContact CG1-CG1 4.25Å; V54-I76 WeakPolarHBondContact O-CG1 3.13Å; V54-I76 PolarHBondContact O-N 3.24Å; R55-I76 WeakPolarHBondContact O-CA 3.15Å; L57-I76 HydrophobicContact CB-CG2 4.29Å; M71-I76 HydrophobicContact CB-CD1 3.81Å; M71-I76 HydrophobicContact CE-CD1 3.66Å; M71-I76 HydrophobicContact CG-CD1 4.19Å; N74-I76 HydrophobicContact CB-CD1 4.24Å; N74-I76 HydrophobicContact CB-CG1 4.13Å; I76-L95 HydrophobicContact CB-CD2 4.48Å; I76-L95 HydrophobicContact CD1-CD2 3.4Å; I76-L95 VanDerWaalsContact CD1-CD2 3.4Å; I76-L95 HydrophobicContact CG2-CD2 4.37Å; I76-N98 HydrophobicContact CB-CB 4.26Å; I76-N98 VanDerWaalsContact CB-OD1 3.25Å; I76-N98 WeakPolarHBondContact CB-OD1 3.45Å; I76-N98 WeakPolarHBondContact CG1-OD1 3.33Å; I76-N98 PolarHBondContact N-OD1 2.94Å; I76-N99 CarbonylContact O-C 3.23Å; I76-N99 VanDerWaalsContact O-CA 3.27Å; I76-N99 WeakPolarHBondContact O-CA 3.08Å; I76-N99 PolarHBondContact O-N 3.28Å; I76-I100 HydrophobicContact CG2-CG1 4.47Å; I76-I100 WeakPolarHBondContact O-CG1 3.33Å; I76-I100 PolarHBondContact O-N 3.38Å; I76-I100 VanDerWaalsContact O-N 3.12Å
77C96.7Very high97.3Very high15 Ų1539.2 Ų39.210%0.10119%0.19CC..  trans-119.7-3.2175.556.80000112.4R55 R75 N99R55-C77 PolarHBondContact O-N 2.77Å; R55-C77 PolarHBondContact O-SG 2.84Å; R75-C77 PolarHBondContact O-N 3.01Å; R75-C77 VanDerWaalsContact O-N 3.14Å; C77-N99 WeakPolarHBondContact CA-O 3.48Å; C77-N99 HydrophobicContact CB-CB 4.22Å; C77-N99 WeakPolarHBondContact CB-O 3.41Å
78R95.3Very high97.3Very high63 Ų6339.3 Ų39.324%0.23820%0.196CC..EExtended strand (participates in β ladder)trans-146.9141.9-177.9-72.2-176.8166.2164.8-7.8111.8K56 L57 T178 T180K56-R78 WeakPolarHBondContact CA-O 3.32Å; K56-R78 HydrophobicContact CG-CB 4.03Å; L57-R78 PolarHBondContact N-O 3.06Å; R78-T178 PolarHBondContact NH2-O 3.21Å; R78-T180 VanDerWaalsContact CZ-CB 3.41Å; R78-T180 PolarHBondContact NH1-O 3.03Å; R78-T180 PolarHBondContact NH2-O 2.82Å
79I97.5Very high97.2Very high13 Ų1340.6 Ų40.67%0.06720%0.202CC..EExtended strand (participates in β ladder)trans-108.2134.2171.8-56.4179.8000107.6L57 L95 I100 L106 P108 L109L57-I79 HydrophobicContact CD2-CG2 4.38Å; I79-L95 HydrophobicContact CD1-CD1 4.44Å; I79-I100 HydrophobicContact CD1-CD1 4.35Å; I79-L106 HydrophobicContact CD1-CD2 4.16Å; I79-P108 HydrophobicContact CB-CB 4.38Å; I79-P108 HydrophobicContact CB-CG 4.37Å; I79-P108 HydrophobicContact CG2-CB 4.01Å; I79-L109 HydrophobicContact CD1-CD1 3.63Å; I79-L109 HydrophobicContact CD1-CD2 4.03Å; I79-L109 HydrophobicContact CD1-CG 3.65Å; I79-L109 HydrophobicContact CG2-CD2 3.89Å; I79-L109 HydrophobicContact CG2-CG 4.25Å
80G95.1Very high97.2Very high6 Ų640.6 Ų40.66%0.06220%0.202CC..  trans-64.3148.917600000112.1L57 P108L57-G80 PolarHBondContact O-N 3.2Å; G80-P108 WeakPolarHBondContact O-CB 3.28Å
81E94.4Very high97.2Very high105 Ų10544.2 Ų44.249%0.49121%0.214SC..THydrogen-bonded Turntrans-74155168.9-59.7-65.4170.700110L83 R177E81-L83 VanDerWaalsContact C-N 3.26Å; E81-L83 PolarHBondContact O-N 3.19Å; E81-R177 IonicContact OE1-CZ 3.77Å; E81-R177 VanDerWaalsContact OE1-CZ 3.31Å; E81-R177 IonicContact OE1-NH1 3.1Å; E81-R177 PolarHBondContact OE1-NH1 3.48Å; E81-R177 IonicContact OE1-NH2 3.37Å; E81-R177 PolarHBondContact OE1-NH2 3.04Å; E81-R177 VanDerWaalsContact OE1-NH2 3.08Å
82N93.4Very high97.2Very high83 Ų8347.9 Ų47.944%0.44423%0.231SC..THydrogen-bonded Turntrans58.931.2174.7-51.8-43.1000114.7E84 Q85N82-E84 WeakPolarHBondContact CA-OE2 3.48Å; N82-E84 PolarHBondContact O-N 3.09Å; N82-E84 VanDerWaalsContact O-N 3.16Å; N82-Q85 HydrophobicContact CB-CG 4.16Å; N82-Q85 WeakPolarHBondContact O-CB 3.22Å; N82-Q85 PolarHBondContact O-N 3.24Å
83L95.9Very high97.2Very high7 Ų746.1 Ų46.14%0.03722%0.221CC..Hα-helixtrans-58.2-29.2-179.2-169.563.7000112.2L57 F60 E81 Q85 S86 L87 L90 L109 V112L57-L83 HydrophobicContact CD2-CD2 4.17Å; F60-L83 HydrophobicContact CD2-CD1 3.75Å; F60-L83 HydrophobicContact CE2-CD1 4.14Å; E81-L83 VanDerWaalsContact C-N 3.26Å; E81-L83 PolarHBondContact O-N 3.19Å; L83-Q85 PolarHBondContact O-N 3.36Å; L83-S86 PolarHBondContact O-N 3.28Å; L83-S86 VanDerWaalsContact O-N 3.08Å; L83-L87 HydrophobicContact CD1-CD1 3.77Å; L83-L87 HydrophobicContact CD1-CG 4.19Å; L83-L87 HydrophobicContact CD2-CD1 4.32Å; L83-L87 HydrophobicContact CG-CD1 3.98Å; L83-L87 HydrophobicContact CG-CG 4.41Å; L83-L87 PolarHBondContact O-N 2.8Å; L83-L90 HydrophobicContact CD2-CD2 4.2Å; L83-L109 HydrophobicContact CD2-CD2 4.45Å; L83-V112 HydrophobicContact CB-CG2 4.05Å; L83-V112 HydrophobicContact CD2-CG2 4.45Å; L83-V112 HydrophobicContact CG-CG2 4.49Å
84E95.8Very high97.3Very high55 Ų5543.4 Ų43.426%0.25721%0.207SC..Hα-helixtrans-60.7-25.117674.1-76.8-173.600113.9N82 S86 P88 S111 V112N82-E84 WeakPolarHBondContact CA-OE2 3.48Å; N82-E84 PolarHBondContact O-N 3.09Å; N82-E84 VanDerWaalsContact O-N 3.16Å; E84-S86 VanDerWaalsContact C-N 3.33Å; E84-P88 WeakPolarHBondContact O-CA 3.07Å; E84-S111 VanDerWaalsContact CD-OG 3.28Å; E84-S111 WeakPolarHBondContact OE2-CB 3.19Å; E84-S111 PolarHBondContact OE2-OG 2.76Å; E84-V112 HydrophobicContact CB-CG2 4.28Å
85Q97.3Very high97.3Very high128 Ų12843.1 Ų43.160%0.59821%0.206SC*.Hα-helixtrans-74.4-29.9176.8-61.9-179.615.700111.6L62 N82 L83L62-Q85 VanDerWaalsContact CD1-O 3.31Å; L62-Q85 WeakPolarHBondContact CD1-O 3.21Å; N82-Q85 HydrophobicContact CB-CG 4.16Å; N82-Q85 WeakPolarHBondContact O-CB 3.22Å; N82-Q85 PolarHBondContact O-N 3.24Å; L83-Q85 PolarHBondContact O-N 3.36Å
86S97.8Very high97.3Very high30 Ų3038.9 Ų38.921%0.2119%0.192CC..Hα-helixtrans-91.7-38.1179.1-54.50000111.1F60 P61 L62 L63 L83 E84 P88F60-S86 PolarHBondContact O-OG 2.96Å; P61-S86 WeakPolarHBondContact O-CB 3.35Å; L62-S86 CarbonylContact C-O 3.53Å; L62-S86 WeakPolarHBondContact CA-O 3.48Å; L63-S86 PolarHBondContact N-O 2.92Å; L83-S86 PolarHBondContact O-N 3.28Å; L83-S86 VanDerWaalsContact O-N 3.08Å; E84-S86 VanDerWaalsContact C-N 3.33Å; S86-P88 VanDerWaalsContact C-CD 3.46Å; S86-P88 WeakPolarHBondContact O-CD 3.33Å
87L98.2Very high97.3Very high0 Ų042.3 Ų42.30%021%0.21CC..  trans-124.469.1-173.8-53.4-178.6000111F60 L63 L66 L69 L83 D89 L90F60-L87 HydrophobicContact CB-CD2 3.96Å; F60-L87 HydrophobicContact CB-CG 4.23Å; F60-L87 HydrophobicContact CD1-CD1 4.14Å; F60-L87 HydrophobicContact CD1-CD2 3.97Å; F60-L87 HydrophobicContact CD1-CG 4.47Å; F60-L87 HydrophobicContact CD2-CD1 4.01Å; F60-L87 HydrophobicContact CE1-CD1 4.32Å; F60-L87 HydrophobicContact CE2-CD1 4.19Å; F60-L87 HydrophobicContact CG-CD1 3.98Å; F60-L87 HydrophobicContact CG-CD2 4.01Å; F60-L87 HydrophobicContact CG-CG 4.16Å; F60-L87 HydrophobicContact CZ-CD1 4.34Å; L63-L87 HydrophobicContact CB-CD2 3.92Å; L63-L87 HydrophobicContact CD1-CD2 4.1Å; L63-L87 HydrophobicContact CG-CD2 4.34Å; L66-L87 HydrophobicContact CD2-CD2 3.82Å; L69-L87 HydrophobicContact CD1-CD1 3.66Å; L83-L87 HydrophobicContact CD1-CD1 3.77Å; L83-L87 HydrophobicContact CD1-CG 4.19Å; L83-L87 HydrophobicContact CD2-CD1 4.32Å; L83-L87 HydrophobicContact CG-CD1 3.98Å; L83-L87 HydrophobicContact CG-CG 4.41Å; L83-L87 PolarHBondContact O-N 2.8Å; L87-D89 VanDerWaalsContact C-N 3.34Å; L87-D89 PolarHBondContact O-N 3.07Å; L87-L90 HydrophobicContact CB-CB 3.97Å; L87-L90 HydrophobicContact CD1-CD2 4.12Å; L87-L90 PolarHBondContact O-N 2.83Å
88P97.6Very high97.4Very high54 Ų5441.8 Ų41.835%0.35121%0.207SC..THydrogen-bonded Turntrans-66.6-28.5-172.525.8-35.7000114.3L62 K64 E84 S86 T114L62-P88 HydrophobicContact CD1-CG 4.16Å; K64-P88 HydrophobicContact CG-CG 4.46Å; E84-P88 WeakPolarHBondContact O-CA 3.07Å; S86-P88 VanDerWaalsContact C-CD 3.46Å; S86-P88 WeakPolarHBondContact O-CD 3.33Å; P88-T114 VanDerWaalsContact O-CG2 3.28Å; P88-T114 WeakPolarHBondContact O-CG2 3.47Å; P88-T114 PolarHBondContact O-OG1 3.1Å
89D98.2Very high97.5Very high38 Ų3842.4 Ų42.420%0.20322%0.215CC..THydrogen-bonded Turntrans-105.622.6179.3-161.528.9000113.3L66 K67 L87 R91L66-D89 CarbonylContact O-C 3.57Å; K67-D89 WeakPolarHBondContact CA-O 3.48Å; L87-D89 VanDerWaalsContact C-N 3.34Å; L87-D89 PolarHBondContact O-N 3.07Å; D89-R91 WeakPolarHBondContact O-CG 3.39Å; D89-R91 PolarHBondContact O-N 2.96Å; D89-R91 IonicContact OD1-CZ 3.42Å; D89-R91 IonicContact OD1-NE 3.27Å; D89-R91 PolarHBondContact OD1-NE 2.78Å; D89-R91 IonicContact OD1-NH2 3.63Å; D89-R91 PolarHBondContact OD1-NH2 3.19Å; D89-R91 IonicContact OD2-CZ 3.59Å; D89-R91 IonicContact OD2-NE 2.68Å; D89-R91 IonicContact OD2-NH2 2.79Å; D89-R91 PolarHBondContact OD2-NH2 3.28Å
90L98.7Very high97.6Very high0 Ų041.9 Ų41.90%021%0.212CC..  trans-66.2116.1177.3-175.770.1000111L69 L83 L87 V112 T114 L115L69-L90 HydrophobicContact CB-CD1 4.24Å; L69-L90 HydrophobicContact CD1-CD1 3.9Å; L69-L90 HydrophobicContact CD1-CD2 4.44Å; L69-L90 HydrophobicContact CG-CD1 3.94Å; L83-L90 HydrophobicContact CD2-CD2 4.2Å; L87-L90 HydrophobicContact CB-CB 3.97Å; L87-L90 HydrophobicContact CD1-CD2 4.12Å; L87-L90 PolarHBondContact O-N 2.83Å; L90-V112 HydrophobicContact CB-CG1 4.05Å; L90-V112 HydrophobicContact CD2-CG1 4.37Å; L90-T114 CarbonylContact O-C 3.47Å; L90-T114 WeakPolarHBondContact O-CB 3.28Å; L90-T114 PolarHBondContact O-OG1 3.21Å; L90-T114 VanDerWaalsContact O-OG1 3.1Å; L90-L115 HydrophobicContact CD2-CD1 4.44Å; L90-L115 HydrophobicContact CG-CD1 4.32Å; L90-L115 VanDerWaalsContact O-CA 3.31Å; L90-L115 WeakPolarHBondContact O-CA 3.23Å; L90-L115 PolarHBondContact O-N 3.48Å; L90-L115 VanDerWaalsContact O-N 3.11Å
91R98.7Very high97.6Very high111 Ų11145.5 Ų45.542%0.41923%0.227SC..  trans-108.7-34.2-176.2-69170.4-166.6-160.25.5113.4K67 D89 T116 L117K67-R91 PolarHBondContact O-N 3.07Å; D89-R91 WeakPolarHBondContact O-CG 3.39Å; D89-R91 PolarHBondContact O-N 2.96Å; D89-R91 IonicContact OD1-CZ 3.42Å; D89-R91 IonicContact OD1-NE 3.27Å; D89-R91 PolarHBondContact OD1-NE 2.78Å; D89-R91 IonicContact OD1-NH2 3.63Å; D89-R91 PolarHBondContact OD1-NH2 3.19Å; D89-R91 IonicContact OD2-CZ 3.59Å; D89-R91 IonicContact OD2-NE 2.68Å; D89-R91 IonicContact OD2-NH2 2.79Å; D89-R91 PolarHBondContact OD2-NH2 3.28Å; R91-T116 PolarHBondContact O-N 2.91Å; R91-T116 PolarHBondContact O-OG1 3.33Å; R91-L117 PolarHBondContact O-N 3.04Å
92E98.8Very high97.8Very high77 Ų7743 Ų4336%0.3622%0.215SC..EExtended strand (participates in β ladder)trans-131.4124.6-173.1-52.9-165.3-179.600111K67 T68 L69 L117K67-E92 PolarHBondContact O-N 3.01Å; T68-E92 WeakPolarHBondContact CA-O 3.3Å; T68-E92 HydrophobicContact CG2-CB 4.02Å; L69-E92 PolarHBondContact N-O 2.64Å; E92-L117 HydrophobicContact CB-CB 4.22Å; E92-L117 HydrophobicContact CG-CB 3.96Å
93L98.9Very high98Very high0 Ų039.3 Ų39.30%020%0.195CC..EExtended strand (participates in β ladder)trans-130.2112178179.558.9000110.1L57 L69 M71 L95 L109 L115 L117 L118 S119L57-L93 HydrophobicContact CD2-CD1 3.95Å; L57-L93 HydrophobicContact CD2-CD2 3.76Å; L69-L93 HydrophobicContact CB-CD1 3.8Å; L69-L93 HydrophobicContact CD1-CD1 4.42Å; M71-L93 HydrophobicContact CG-CD1 4.24Å; L93-L95 HydrophobicContact CD1-CD1 4.41Å; L93-L95 HydrophobicContact CD1-CD2 4.36Å; L93-L95 HydrophobicContact CD1-CG 4.1Å; L93-L95 HydrophobicContact CD2-CD1 3.76Å; L93-L95 HydrophobicContact CD2-CG 4.34Å; L93-L95 HydrophobicContact CG-CD1 3.86Å; L93-L95 HydrophobicContact CG-CG 3.93Å; L93-L109 HydrophobicContact CD2-CD1 4.26Å; L93-L109 HydrophobicContact CD2-CD2 3.72Å; L93-L115 HydrophobicContact CB-CD1 3.79Å; L93-L117 PolarHBondContact N-O 2.99Å; L93-L118 HydrophobicContact CB-CD1 4.29Å; L93-L118 HydrophobicContact CD2-CD1 4.25Å; L93-L118 HydrophobicContact CG-CD1 4.26Å; L93-L118 WeakPolarHBondContact O-CA 3.45Å; L93-S119 PolarHBondContact O-N 3.17Å
94V98.8Very high98Very high10 Ų1039 Ų396%0.06119%0.194CC..EExtended strand (participates in β ladder)trans-105.9107.1-179.8-175.40000109.2L69 L70 M71 N72 T96 L117 F147L69-V94 PolarHBondContact O-N 3.24Å; L70-V94 HydrophobicContact CD2-CB 4Å; L70-V94 HydrophobicContact CD2-CG2 3.74Å; M71-V94 CarbonylContact C-O 3.06Å; M71-V94 WeakPolarHBondContact CA-O 3.07Å; M71-V94 WeakPolarHBondContact CB-O 3.4Å; M71-V94 PolarHBondContact N-O 3.16Å; N72-V94 WeakPolarHBondContact OD1-CG1 3.31Å; V94-T96 WeakPolarHBondContact CG1-OG1 3.38Å; V94-L117 HydrophobicContact CG2-CD2 4.21Å; V94-F147 HydrophobicContact CG1-CZ 4.42Å
95L98.7Very high98Very high0 Ų036.8 Ų36.80%018%0.184CC..  trans-110.327.4-179-69.8162000111.9M71 I76 I79 L93 N97 N98 I100 L118 S119 L120 N123M71-L95 HydrophobicContact CB-CD2 3.85Å; M71-L95 HydrophobicContact CG-CD2 4.22Å; I76-L95 HydrophobicContact CB-CD2 4.48Å; I76-L95 HydrophobicContact CD1-CD2 3.4Å; I76-L95 VanDerWaalsContact CD1-CD2 3.4Å; I76-L95 HydrophobicContact CG2-CD2 4.37Å; I79-L95 HydrophobicContact CD1-CD1 4.44Å; L93-L95 HydrophobicContact CD1-CD1 4.41Å; L93-L95 HydrophobicContact CD1-CD2 4.36Å; L93-L95 HydrophobicContact CD1-CG 4.1Å; L93-L95 HydrophobicContact CD2-CD1 3.76Å; L93-L95 HydrophobicContact CD2-CG 4.34Å; L93-L95 HydrophobicContact CG-CD1 3.86Å; L93-L95 HydrophobicContact CG-CG 3.93Å; L95-N97 PolarHBondContact O-N 3.42Å; L95-N98 VanDerWaalsContact C-ND2 3.33Å; L95-N98 PolarHBondContact O-ND2 2.81Å; L95-I100 HydrophobicContact CD1-CD1 3.92Å; L95-L118 HydrophobicContact CD1-CD1 4.19Å; L95-S119 CarbonylContact C-O 3.58Å; L95-S119 WeakPolarHBondContact CA-O 3.25Å; L95-S119 WeakPolarHBondContact CB-O 3.05Å; L95-S119 PolarHBondContact N-O 3.05Å; L95-L120 HydrophobicContact CB-CD2 4.1Å; L95-L120 HydrophobicContact CD1-CD2 3.95Å; L95-N123 PolarHBondContact O-ND2 3.12Å
96T98.7Very high98.1Very high22 Ų2230.8 Ų30.814%0.13516%0.156CC..  trans-57.1136.1-178.2-51.20000111.1N72 N73 V94 N98 S119 L121 K122N72-T96 WeakPolarHBondContact CA-O 3.38Å; N72-T96 WeakPolarHBondContact OD1-CB 3.41Å; N72-T96 PolarHBondContact OD1-OG1 3.37Å; N73-T96 PolarHBondContact N-O 3.34Å; V94-T96 WeakPolarHBondContact CG1-OG1 3.38Å; T96-N98 PolarHBondContact O-ND2 2.89Å; T96-S119 PolarHBondContact OG1-OG 3.05Å; T96-L121 CarbonylContact C-O 3.12Å; T96-L121 VanDerWaalsContact CA-O 3.28Å; T96-L121 WeakPolarHBondContact CA-O 3.32Å; T96-L121 HydrophobicContact CG2-CB 4.07Å; T96-K122 HydrophobicContact CG2-CD 4.41Å
97N98.7Very high98Very high72 Ų7230.5 Ų30.539%0.38515%0.152SC..SBendtrans57.363.7178.1-164.337.4000112.9N73 N74 L95 L121 K122N73-N97 VanDerWaalsContact CA-O 3.32Å; N73-N97 WeakPolarHBondContact CA-O 3.27Å; N73-N97 PolarHBondContact N-O 2.86Å; N73-N97 WeakPolarHBondContact OD1-CB 3.47Å; N73-N97 PolarHBondContact OD1-ND2 2.98Å; N74-N97 PolarHBondContact N-O 3.27Å; L95-N97 PolarHBondContact O-N 3.42Å; N97-L121 PolarHBondContact N-O 3.06Å; N97-K122 HydrophobicContact CB-CB 4.08Å; N97-K122 HydrophobicContact CB-CD 4.23Å
98N98.8Very high98Very high4 Ų430.7 Ų30.72%0.02115%0.153CC..  trans-127.9-170.4175.9-86.6-85000110.7M71 N74 R75 I76 L95 T96 N123M71-N98 PolarHBondContact O-ND2 3.14Å; N74-N98 WeakPolarHBondContact CA-OD1 3.13Å; N74-N98 WeakPolarHBondContact CB-OD1 3.46Å; N74-N98 PolarHBondContact O-OD1 2.81Å; R75-N98 PolarHBondContact N-OD1 2.9Å; I76-N98 HydrophobicContact CB-CB 4.26Å; I76-N98 VanDerWaalsContact CB-OD1 3.25Å; I76-N98 WeakPolarHBondContact CB-OD1 3.45Å; I76-N98 WeakPolarHBondContact CG1-OD1 3.33Å; I76-N98 PolarHBondContact N-OD1 2.94Å; L95-N98 VanDerWaalsContact C-ND2 3.33Å; L95-N98 PolarHBondContact O-ND2 2.81Å; T96-N98 PolarHBondContact O-ND2 2.89Å; N98-N123 WeakPolarHBondContact CA-OD1 3.39Å; N98-N123 WeakPolarHBondContact CB-OD1 3.27Å; N98-N123 PolarHBondContact O-OD1 3.16Å
99N98.1Very high98Very high76 Ų7628.1 Ų28.141%0.40614%0.137SC..  trans-114.631.2-172.3-69.774.5000113.4I76 C77 Q101 N123I76-N99 CarbonylContact O-C 3.23Å; I76-N99 VanDerWaalsContact O-CA 3.27Å; I76-N99 WeakPolarHBondContact O-CA 3.08Å; I76-N99 PolarHBondContact O-N 3.28Å; C77-N99 WeakPolarHBondContact CA-O 3.48Å; C77-N99 HydrophobicContact CB-CB 4.22Å; C77-N99 WeakPolarHBondContact CB-O 3.41Å; N99-Q101 PolarHBondContact O-N 2.94Å; N99-N123 PolarHBondContact N-OD1 2.85Å
100I98.1Very high97.9Very high1 Ų127.2 Ų27.21%0.00513%0.134CC..  trans-74.4120.7175.4-58175.1000108.6I76 I79 L95 D105 L106 L120 N123 P124 V125I76-I100 HydrophobicContact CG2-CG1 4.47Å; I76-I100 WeakPolarHBondContact O-CG1 3.33Å; I76-I100 PolarHBondContact O-N 3.38Å; I76-I100 VanDerWaalsContact O-N 3.12Å; I79-I100 HydrophobicContact CD1-CD1 4.35Å; L95-I100 HydrophobicContact CD1-CD1 3.92Å; I100-D105 HydrophobicContact CG2-CB 4.05Å; I100-L106 HydrophobicContact CD1-CD2 4.11Å; I100-L106 HydrophobicContact CG2-CD2 3.9Å; I100-L106 HydrophobicContact CG2-CG 4.34Å; I100-L120 HydrophobicContact CD1-CD2 3.68Å; I100-N123 HydrophobicContact CB-CB 4.34Å; I100-N123 WeakPolarHBondContact CB-OD1 3.5Å; I100-N123 PolarHBondContact N-OD1 3.11Å; I100-P124 VanDerWaalsContact O-CD 3.3Å; I100-P124 WeakPolarHBondContact O-CD 3.39Å; I100-V125 HydrophobicContact CB-CG1 4.24Å; I100-V125 HydrophobicContact CG2-CB 4.14Å; I100-V125 HydrophobicContact CG2-CG1 3.99Å; I100-V125 WeakPolarHBondContact O-CB 3.3Å; I100-V125 PolarHBondContact O-N 3.37Å
101Q96.8Very high97.8Very high83 Ų8328.8 Ų28.839%0.38815%0.145SC..  trans-106.2-44.6-168.9-75173.680.800113.3N99 P124 K128N99-Q101 PolarHBondContact O-N 2.94Å; Q101-P124 HydrophobicContact CG-CB 4.19Å; Q101-P124 HydrophobicContact CG-CG 4.21Å; Q101-K128 WeakPolarHBondContact O-CE 3.43Å
102E97.4Very high97.8Very high52 Ų5223.5 Ų23.524%0.24313%0.125CC..  trans-112.1151.2-173.5-60.2-63.6156.700112.4G104 D105 K128 R176E102-G104 VanDerWaalsContact C-N 3.29Å; E102-G104 PolarHBondContact O-N 3.22Å; E102-D105 PolarHBondContact N-OD2 3.36Å; E102-D105 VanDerWaalsContact N-OD2 3.14Å; E102-D105 WeakPolarHBondContact O-CB 3.29Å; E102-D105 PolarHBondContact O-N 3.24Å; E102-D105 VanDerWaalsContact O-N 3.11Å; E102-K128 IonicContact OE1-NZ 2.8Å; E102-K128 PolarHBondContact OE1-NZ 3.33Å; E102-K128 WeakPolarHBondContact OE2-CE 3.47Å; E102-K128 IonicContact OE2-NZ 2.95Å; E102-K128 PolarHBondContact OE2-NZ 2.88Å; E102-R176 WeakPolarHBondContact CB-O 3.28Å
103L97.2Very high97.7Very high5 Ų526.9 Ų26.93%0.02614%0.139CC..G310 helixtrans-63.9-35.7-177.6-68.5170.9000112.3D105 L106 V125 K128 Y131 Y134 M174L103-D105 PolarHBondContact O-N 3.34Å; L103-L106 WeakPolarHBondContact O-CB 3.31Å; L103-L106 PolarHBondContact O-N 2.83Å; L103-L106 VanDerWaalsContact O-N 3.16Å; L103-V125 HydrophobicContact CD2-CG2 3.69Å; L103-V125 HydrophobicContact CG-CG2 4.24Å; L103-K128 HydrophobicContact CD1-CB 4.22Å; L103-K128 HydrophobicContact CD2-CB 4.27Å; L103-K128 HydrophobicContact CG-CB 4.12Å; L103-K128 HydrophobicContact CG-CG 4.44Å; L103-Y131 HydrophobicContact CD2-CD2 3.75Å; L103-Y131 HydrophobicContact CD2-CG 4.48Å; L103-Y134 HydrophobicContact CB-CD1 3.84Å; L103-Y134 HydrophobicContact CB-CE1 3.74Å; L103-Y134 HydrophobicContact CB-CE2 4.39Å; L103-Y134 HydrophobicContact CB-CG 4.25Å; L103-Y134 HydrophobicContact CD1-CD1 4.4Å; L103-Y134 HydrophobicContact CD1-CD2 4.2Å; L103-Y134 HydrophobicContact CD1-CG 4.03Å; L103-Y134 HydrophobicContact CD2-CD1 4.02Å; L103-Y134 HydrophobicContact CD2-CG 4.28Å; L103-Y134 HydrophobicContact CG-CD1 4.32Å; L103-Y134 HydrophobicContact CG-CG 4.44Å; L103-Y134 WeakPolarHBondContact O-CE1 3.42Å; L103-M174 HydrophobicContact CD1-CB 4.12Å; L103-M174 HydrophobicContact CD1-CE 3.5Å; L103-M174 VanDerWaalsContact CD1-CE 3.5Å
104G96.4Very high97.7Very high0 Ų029.2 Ų29.20%015%0.153CC..G310 helixtrans-66.6-18177.400000113.6E102 L106 D107 R176 R177E102-G104 VanDerWaalsContact C-N 3.29Å; E102-G104 PolarHBondContact O-N 3.22Å; G104-L106 PolarHBondContact O-N 3.19Å; G104-D107 WeakPolarHBondContact O-CB 3.15Å; G104-D107 PolarHBondContact O-N 3.24Å; G104-R176 VanDerWaalsContact CA-O 3.28Å; G104-R176 WeakPolarHBondContact CA-O 3.37Å; G104-R176 PolarHBondContact N-O 3.18Å; G104-R177 VanDerWaalsContact O-CG 3.3Å; G104-R177 WeakPolarHBondContact O-CG 3.33Å; G104-R177 PolarHBondContact O-NE 3.05Å
105D96.8Very high97.7Very high9 Ų928.7 Ų28.75%0.04815%0.15CC..G310 helixtrans-69.4-17.9176.5-61.9-34.3000111.7I100 E102 L103 P108 R177 T178I100-D105 HydrophobicContact CG2-CB 4.05Å; E102-D105 PolarHBondContact N-OD2 3.36Å; E102-D105 VanDerWaalsContact N-OD2 3.14Å; E102-D105 WeakPolarHBondContact O-CB 3.29Å; E102-D105 PolarHBondContact O-N 3.24Å; E102-D105 VanDerWaalsContact O-N 3.11Å; L103-D105 PolarHBondContact O-N 3.34Å; D105-P108 WeakPolarHBondContact O-CD 3.38Å; D105-R177 VanDerWaalsContact OD1-CA 3.29Å; D105-R177 WeakPolarHBondContact OD1-CA 3.46Å; D105-R177 WeakPolarHBondContact OD1-CB 3.47Å; D105-T178 PolarHBondContact OD1-N 3.44Å; D105-T178 WeakPolarHBondContact OD2-CB 3Å; D105-T178 PolarHBondContact OD2-N 3.09Å; D105-T178 PolarHBondContact OD2-OG1 3.14Å
106L97.8Very high97.7Very high2 Ų230.9 Ų30.91%0.0116%0.163CC..G310 helixtrans-87.9-16.6177.2-57.9175.1000113.2I79 I100 L103 G104 P108 L109 L120 V125 Y131 V135I79-L106 HydrophobicContact CD1-CD2 4.16Å; I100-L106 HydrophobicContact CD1-CD2 4.11Å; I100-L106 HydrophobicContact CG2-CD2 3.9Å; I100-L106 HydrophobicContact CG2-CG 4.34Å; L103-L106 WeakPolarHBondContact O-CB 3.31Å; L103-L106 PolarHBondContact O-N 2.83Å; L103-L106 VanDerWaalsContact O-N 3.16Å; G104-L106 PolarHBondContact O-N 3.19Å; L106-P108 VanDerWaalsContact C-N 3.3Å; L106-L109 WeakPolarHBondContact O-CB 3.44Å; L106-L109 PolarHBondContact O-N 2.73Å; L106-L120 HydrophobicContact CD1-CD1 3.65Å; L106-L120 HydrophobicContact CD2-CD1 3.74Å; L106-L120 HydrophobicContact CD2-CD2 3.75Å; L106-L120 HydrophobicContact CD2-CG 4.43Å; L106-L120 HydrophobicContact CG-CD1 4.36Å; L106-V125 HydrophobicContact CD1-CG2 4.08Å; L106-Y131 HydrophobicContact CD1-CE2 4.13Å; L106-V135 HydrophobicContact CD1-CG2 3.75Å
107D96.8Very high97.7Very high24 Ų2431 Ų3113%0.12816%0.163CC..G310 helixtrans-51.9-37.4-177.4-78.513.2000114.8G104 L109 A110 Y134 K138G104-D107 WeakPolarHBondContact O-CB 3.15Å; G104-D107 PolarHBondContact O-N 3.24Å; D107-L109 PolarHBondContact O-N 2.53Å; D107-A110 VanDerWaalsContact O-CB 3.22Å; D107-A110 WeakPolarHBondContact O-CB 3.34Å; D107-A110 PolarHBondContact O-N 3.39Å; D107-Y134 PolarHBondContact OD1-OH 3.08Å; D107-K138 WeakPolarHBondContact OD1-CE 3.45Å; D107-K138 IonicContact OD1-NZ 2.88Å; D107-K138 WeakPolarHBondContact OD2-CE 3.44Å; D107-K138 IonicContact OD2-NZ 3.56Å; D107-K138 PolarHBondContact OD2-NZ 2.98Å
108P97.4Very high97.7Very high5 Ų527.6 Ų27.63%0.03215%0.145CC..G310 helixtrans-58.8-27.4177.7-25.335.9000113.7I79 G80 D105 L106 A110 S111I79-P108 HydrophobicContact CB-CB 4.38Å; I79-P108 HydrophobicContact CB-CG 4.37Å; I79-P108 HydrophobicContact CG2-CB 4.01Å; G80-P108 WeakPolarHBondContact O-CB 3.28Å; D105-P108 WeakPolarHBondContact O-CD 3.38Å; L106-P108 VanDerWaalsContact C-N 3.3Å; P108-A110 PolarHBondContact O-N 3.03Å; P108-S111 PolarHBondContact O-N 3.26Å; P108-S111 PolarHBondContact O-OG 3.16Å
109L97.9Very high97.7Very high0 Ų027.4 Ų27.40%014%0.144CC..G310 helixtrans-67.6-16178.1-64177.7000113.1I79 L83 L93 L106 D107 S111 V112 L115 L118 I139I79-L109 HydrophobicContact CD1-CD1 3.63Å; I79-L109 HydrophobicContact CD1-CD2 4.03Å; I79-L109 HydrophobicContact CD1-CG 3.65Å; I79-L109 HydrophobicContact CG2-CD2 3.89Å; I79-L109 HydrophobicContact CG2-CG 4.25Å; L83-L109 HydrophobicContact CD2-CD2 4.45Å; L93-L109 HydrophobicContact CD2-CD1 4.26Å; L93-L109 HydrophobicContact CD2-CD2 3.72Å; L106-L109 WeakPolarHBondContact O-CB 3.44Å; L106-L109 PolarHBondContact O-N 2.73Å; D107-L109 PolarHBondContact O-N 2.53Å; L109-S111 PolarHBondContact O-N 2.63Å; L109-V112 PolarHBondContact O-N 3.4Å; L109-L115 HydrophobicContact CB-CD2 4.27Å; L109-L115 HydrophobicContact CD1-CD2 4.42Å; L109-L115 HydrophobicContact CD2-CD2 4.32Å; L109-L118 HydrophobicContact CD1-CD1 4.05Å; L109-L118 HydrophobicContact CD1-CD2 3.94Å; L109-I139 HydrophobicContact CB-CD1 3.65Å; L109-I139 HydrophobicContact CD1-CD1 4.29Å
110A97.2Very high97.7Very high18 Ų1823.8 Ų23.815%0.14912%0.124CC..G310 helixtrans-63.6-23.9177.700000113D107 P108 K113 K138 I139 Q141D107-A110 VanDerWaalsContact O-CB 3.22Å; D107-A110 WeakPolarHBondContact O-CB 3.34Å; D107-A110 PolarHBondContact O-N 3.39Å; P108-A110 PolarHBondContact O-N 3.03Å; A110-K113 PolarHBondContact O-NZ 2.86Å; A110-K138 HydrophobicContact CB-CG 4.46Å; A110-K138 WeakPolarHBondContact CB-O 3.47Å; A110-I139 HydrophobicContact CB-CG1 4.47Å; A110-Q141 PolarHBondContact O-NE2 3.23Å
111S96.4Very high97.7Very high33 Ų3326.9 Ų26.923%0.23114%0.141CC..G310 helixtrans-77.1-27.6177.862.60000113.1E84 P108 L109 K113E84-S111 VanDerWaalsContact CD-OG 3.28Å; E84-S111 WeakPolarHBondContact OE2-CB 3.19Å; E84-S111 PolarHBondContact OE2-OG 2.76Å; P108-S111 PolarHBondContact O-N 3.26Å; P108-S111 PolarHBondContact O-OG 3.16Å; L109-S111 PolarHBondContact O-N 2.63Å; S111-K113 WeakPolarHBondContact O-CG 3.15Å; S111-K113 PolarHBondContact O-N 3.02Å
112V97.7Very high97.8Very high0 Ų030.3 Ų30.30%015%0.154CC..  trans-76.786.4179.7-170.10000110.3L83 E84 L90 L109 T114 L115 Q141L83-V112 HydrophobicContact CB-CG2 4.05Å; L83-V112 HydrophobicContact CD2-CG2 4.45Å; L83-V112 HydrophobicContact CG-CG2 4.49Å; E84-V112 HydrophobicContact CB-CG2 4.28Å; L90-V112 HydrophobicContact CB-CG1 4.05Å; L90-V112 HydrophobicContact CD2-CG1 4.37Å; L109-V112 PolarHBondContact O-N 3.4Å; V112-T114 PolarHBondContact O-N 2.74Å; V112-L115 HydrophobicContact CB-CB 4.24Å; V112-L115 HydrophobicContact CG1-CB 3.97Å; V112-L115 WeakPolarHBondContact O-CB 3.49Å; V112-L115 PolarHBondContact O-N 2.8Å; V112-Q141 PolarHBondContact O-NE2 3.43Å
113K97.6Very high97.8Very high148 Ų14828 Ų2864%0.64314%0.143SC*.THydrogen-bonded Turntrans-67.3-22.2-171.9-57.2-50.4-179.3-172.50114.6A110 S111 L115A110-K113 PolarHBondContact O-NZ 2.86Å; S111-K113 WeakPolarHBondContact O-CG 3.15Å; S111-K113 PolarHBondContact O-N 3.02Å; K113-L115 VanDerWaalsContact C-N 3.35Å
114T98.3Very high97.9Very high49 Ų4930.5 Ų30.530%0.30116%0.16SC..THydrogen-bonded Turntrans-81.2-13.2179.1400000113.4P88 L90 V112 T116P88-T114 VanDerWaalsContact O-CG2 3.28Å; P88-T114 WeakPolarHBondContact O-CG2 3.47Å; P88-T114 PolarHBondContact O-OG1 3.1Å; L90-T114 CarbonylContact O-C 3.47Å; L90-T114 WeakPolarHBondContact O-CB 3.28Å; L90-T114 PolarHBondContact O-OG1 3.21Å; L90-T114 VanDerWaalsContact O-OG1 3.1Å; V112-T114 PolarHBondContact O-N 2.74Å; T114-T116 PolarHBondContact O-N 3.41Å
115L98.7Very high98Very high0 Ų030.5 Ų30.50%016%0.16CC..  trans-69.3118.4-176.6-171.468.9000111.2L90 L93 L109 V112 K113 Q141 I142L90-L115 HydrophobicContact CD2-CD1 4.44Å; L90-L115 HydrophobicContact CG-CD1 4.32Å; L90-L115 VanDerWaalsContact O-CA 3.31Å; L90-L115 WeakPolarHBondContact O-CA 3.23Å; L90-L115 PolarHBondContact O-N 3.48Å; L90-L115 VanDerWaalsContact O-N 3.11Å; L93-L115 HydrophobicContact CB-CD1 3.79Å; L109-L115 HydrophobicContact CB-CD2 4.27Å; L109-L115 HydrophobicContact CD1-CD2 4.42Å; L109-L115 HydrophobicContact CD2-CD2 4.32Å; V112-L115 HydrophobicContact CB-CB 4.24Å; V112-L115 HydrophobicContact CG1-CB 3.97Å; V112-L115 WeakPolarHBondContact O-CB 3.49Å; V112-L115 PolarHBondContact O-N 2.8Å; K113-L115 VanDerWaalsContact C-N 3.35Å; L115-Q141 CarbonylContact O-C 3.54Å; L115-Q141 WeakPolarHBondContact O-CG 3.08Å; L115-I142 HydrophobicContact CB-CD1 4.46Å; L115-I142 HydrophobicContact CD2-CD1 3.87Å; L115-I142 HydrophobicContact CG-CD1 3.73Å
116T98.6Very high98Very high45 Ų4532 Ų3228%0.27617%0.17SC..  trans-117.9-27.7-177.961.60000113.6R91 T114 R143 V144R91-T116 PolarHBondContact O-N 2.91Å; R91-T116 PolarHBondContact O-OG1 3.33Å; T114-T116 PolarHBondContact O-N 3.41Å; T116-R143 HydrophobicContact CG2-CG 4.32Å; T116-R143 PolarHBondContact O-N 2.83Å; T116-V144 PolarHBondContact O-N 3.47Å
117L98.8Very high98Very high25 Ų2538.7 Ų38.713%0.13121%0.206CC..EExtended strand (participates in β ladder)trans-119.5126.1177.2-171.8155.7000110.1R91 E92 L93 V94 V144R91-L117 PolarHBondContact O-N 3.04Å; E92-L117 HydrophobicContact CB-CB 4.22Å; E92-L117 HydrophobicContact CG-CB 3.96Å; L93-L117 PolarHBondContact N-O 2.99Å; V94-L117 HydrophobicContact CG2-CD2 4.21Å; L117-V144 WeakPolarHBondContact CA-O 3.46Å; L117-V144 HydrophobicContact CB-CB 4.49Å; L117-V144 HydrophobicContact CD1-CB 4.41Å; L117-V144 HydrophobicContact CD1-CG1 4.34Å; L117-V144 HydrophobicContact CG-CB 4.18Å; L117-V144 HydrophobicContact CG-CG1 4.28Å
118L98.8Very high98Very high0 Ų041.1 Ų41.10%022%0.215CC..EExtended strand (participates in β ladder)trans-132.1127.2173.7177.760.9000109.6L93 L95 L109 L120 V135 I139 I142 V144 L145 D146L93-L118 HydrophobicContact CB-CD1 4.29Å; L93-L118 HydrophobicContact CD2-CD1 4.25Å; L93-L118 HydrophobicContact CG-CD1 4.26Å; L93-L118 WeakPolarHBondContact O-CA 3.45Å; L95-L118 HydrophobicContact CD1-CD1 4.19Å; L109-L118 HydrophobicContact CD1-CD1 4.05Å; L109-L118 HydrophobicContact CD1-CD2 3.94Å; L118-L120 HydrophobicContact CD1-CD1 4.46Å; L118-L120 HydrophobicContact CD1-CD2 4.41Å; L118-L120 HydrophobicContact CD1-CG 4.1Å; L118-L120 HydrophobicContact CD2-CD1 3.74Å; L118-L120 HydrophobicContact CD2-CG 4.27Å; L118-L120 HydrophobicContact CG-CD1 4.02Å; L118-L120 HydrophobicContact CG-CG 4Å; L118-V135 HydrophobicContact CD2-CG1 4.29Å; L118-I139 HydrophobicContact CD2-CD1 4.3Å; L118-I142 HydrophobicContact CB-CD1 3.64Å; L118-I142 HydrophobicContact CD2-CD1 4.5Å; L118-V144 PolarHBondContact N-O 3.35Å; L118-L145 HydrophobicContact CB-CD1 4.21Å; L118-L145 HydrophobicContact CD2-CD1 4.24Å; L118-L145 HydrophobicContact CG-CD1 4.18Å; L118-L145 CarbonylContact O-C 3.56Å; L118-L145 WeakPolarHBondContact O-CA 3.38Å; L118-D146 PolarHBondContact O-N 2.84Å
119S98.6Very high97.9Very high0 Ų049.3 Ų49.30%025%0.25CS..EExtended strand (participates in β ladder)trans-114.6125.9167.8178.50000109.7L93 L95 T96 F147L93-S119 PolarHBondContact O-N 3.17Å; L95-S119 CarbonylContact C-O 3.58Å; L95-S119 WeakPolarHBondContact CA-O 3.25Å; L95-S119 WeakPolarHBondContact CB-O 3.05Å; L95-S119 PolarHBondContact N-O 3.05Å; T96-S119 PolarHBondContact OG1-OG 3.05Å; S119-F147 WeakPolarHBondContact OG-CE2 3.3Å
120L98.6Very high97.7Very high0 Ų053.7 Ų53.70%027%0.271CS..  trans-122.810176.4-71.3164.3000111.4L95 I100 L106 L118 N123 T126 Y131 D146L95-L120 HydrophobicContact CB-CD2 4.1Å; L95-L120 HydrophobicContact CD1-CD2 3.95Å; I100-L120 HydrophobicContact CD1-CD2 3.68Å; L106-L120 HydrophobicContact CD1-CD1 3.65Å; L106-L120 HydrophobicContact CD2-CD1 3.74Å; L106-L120 HydrophobicContact CD2-CD2 3.75Å; L106-L120 HydrophobicContact CD2-CG 4.43Å; L106-L120 HydrophobicContact CG-CD1 4.36Å; L118-L120 HydrophobicContact CD1-CD1 4.46Å; L118-L120 HydrophobicContact CD1-CD2 4.41Å; L118-L120 HydrophobicContact CD1-CG 4.1Å; L118-L120 HydrophobicContact CD2-CD1 3.74Å; L118-L120 HydrophobicContact CD2-CG 4.27Å; L118-L120 HydrophobicContact CG-CD1 4.02Å; L118-L120 HydrophobicContact CG-CG 4Å; L120-N123 VanDerWaalsContact O-CB 3.28Å; L120-N123 WeakPolarHBondContact O-CB 3.27Å; L120-N123 PolarHBondContact O-N 2.91Å; L120-N123 VanDerWaalsContact O-N 3.12Å; L120-N123 PolarHBondContact O-ND2 3.1Å; L120-T126 HydrophobicContact CB-CG2 4.34Å; L120-T126 WeakPolarHBondContact O-CG2 3.43Å; L120-Y131 VanDerWaalsContact CB-OH 3.27Å; L120-Y131 WeakPolarHBondContact CB-OH 3.32Å; L120-Y131 HydrophobicContact CD1-CE2 3.93Å; L120-Y131 WeakPolarHBondContact CD1-OH 3.35Å; L120-D146 PolarHBondContact N-OD1 2.96Å
121L98.4Very high97.8Very high67 Ų6753.6 Ų53.635%0.35127%0.266SS..THydrogen-bonded Turntrans-46.5142.3177.2-70.6-179.8000111.9T96 N97 N123 D146 F147T96-L121 CarbonylContact C-O 3.12Å; T96-L121 VanDerWaalsContact CA-O 3.28Å; T96-L121 WeakPolarHBondContact CA-O 3.32Å; T96-L121 HydrophobicContact CG2-CB 4.07Å; N97-L121 PolarHBondContact N-O 3.06Å; L121-N123 PolarHBondContact O-N 3.12Å; L121-N123 PolarHBondContact O-ND2 3.22Å; L121-D146 HydrophobicContact CD2-CB 3.73Å; L121-D146 HydrophobicContact CG-CB 3.87Å; L121-D146 PolarHBondContact N-OD1 2.81Å; L121-F147 HydrophobicContact CD1-CD2 3.7Å; L121-F147 HydrophobicContact CD1-CE2 3.9Å
122K98.1Very high97.8Very high154 Ų15454.2 Ų54.267%0.6726%0.264SS*.THydrogen-bonded Turntrans59.426.9-178.5-52.6178.5177.6179.90114.2T96 N97T96-K122 HydrophobicContact CG2-CD 4.41Å; N97-K122 HydrophobicContact CB-CB 4.08Å; N97-K122 HydrophobicContact CB-CD 4.23Å
123N98.6Very high97.8Very high3 Ų355.5 Ų55.52%0.01627%0.27CS..SBendtrans-102146.6163.6-75.7-101.2000110.1L95 N98 N99 I100 L120 L121 V125 T126L95-N123 PolarHBondContact O-ND2 3.12Å; N98-N123 WeakPolarHBondContact CA-OD1 3.39Å; N98-N123 WeakPolarHBondContact CB-OD1 3.27Å; N98-N123 PolarHBondContact O-OD1 3.16Å; N99-N123 PolarHBondContact N-OD1 2.85Å; I100-N123 HydrophobicContact CB-CB 4.34Å; I100-N123 WeakPolarHBondContact CB-OD1 3.5Å; I100-N123 PolarHBondContact N-OD1 3.11Å; L120-N123 VanDerWaalsContact O-CB 3.28Å; L120-N123 WeakPolarHBondContact O-CB 3.27Å; L120-N123 PolarHBondContact O-N 2.91Å; L120-N123 VanDerWaalsContact O-N 3.12Å; L120-N123 PolarHBondContact O-ND2 3.1Å; L121-N123 PolarHBondContact O-N 3.12Å; L121-N123 PolarHBondContact O-ND2 3.22Å; N123-V125 HydrophobicContact CB-CG1 3.86Å; N123-V125 PolarHBondContact O-N 3.12Å; N123-T126 PolarHBondContact O-N 2.84Å; N123-T126 PolarHBondContact O-OG1 2.72Å
124P98.1Very high97.9Very high59 Ų5948.7 Ų48.738%0.38324%0.241SC..G310 helixtrans-54.5-29.6176.5-26.132.9000114.7I100 Q101 T126 N127I100-P124 VanDerWaalsContact O-CD 3.3Å; I100-P124 WeakPolarHBondContact O-CD 3.39Å; Q101-P124 HydrophobicContact CG-CB 4.19Å; Q101-P124 HydrophobicContact CG-CG 4.21Å; P124-T126 PolarHBondContact O-N 2.73Å; P124-N127 PolarHBondContact O-N 2.9Å
125V97.8Very high97.8Very high0 Ų046.3 Ų46.30%023%0.226CC..G310 helixtrans-58.8-27.8177.6720000113.5I100 L103 L106 N123 N127 K128 Y131I100-V125 HydrophobicContact CB-CG1 4.24Å; I100-V125 HydrophobicContact CG2-CB 4.14Å; I100-V125 HydrophobicContact CG2-CG1 3.99Å; I100-V125 WeakPolarHBondContact O-CB 3.3Å; I100-V125 PolarHBondContact O-N 3.37Å; L103-V125 HydrophobicContact CD2-CG2 3.69Å; L103-V125 HydrophobicContact CG-CG2 4.24Å; L106-V125 HydrophobicContact CD1-CG2 4.08Å; N123-V125 HydrophobicContact CB-CG1 3.86Å; N123-V125 PolarHBondContact O-N 3.12Å; V125-N127 PolarHBondContact O-N 3.15Å; V125-K128 HydrophobicContact CG2-CG 4.45Å; V125-K128 VanDerWaalsContact O-CB 3.31Å; V125-K128 WeakPolarHBondContact O-CB 3.33Å; V125-K128 WeakPolarHBondContact O-CG 3.25Å; V125-K128 PolarHBondContact O-N 3.14Å; V125-K128 VanDerWaalsContact O-N 3.09Å; V125-Y131 HydrophobicContact CG1-CD2 4.49Å; V125-Y131 HydrophobicContact CG1-CE2 4.11Å; V125-Y131 HydrophobicContact CG2-CD2 4.1Å; V125-Y131 HydrophobicContact CG2-CE2 4.37Å; V125-Y131 WeakPolarHBondContact O-CD2 3.37Å
126T97.6Very high97.8Very high39 Ų3946.7 Ų46.724%0.23923%0.228CC..G310 helixtrans-66.5-21.3-179.263.50000112.7L120 N123 P124 K128 Y131L120-T126 HydrophobicContact CB-CG2 4.34Å; L120-T126 WeakPolarHBondContact O-CG2 3.43Å; N123-T126 PolarHBondContact O-N 2.84Å; N123-T126 PolarHBondContact O-OG1 2.72Å; P124-T126 PolarHBondContact O-N 2.73Å; T126-K128 VanDerWaalsContact C-N 3.32Å; T126-Y131 HydrophobicContact CG2-CE1 4.19Å
127N97.1Very high97.7Very high144 Ų14447.5 Ų47.577%0.7723%0.231SC*.G310 helixtrans-86.2-3178.4-62.6-24.6000113P124 V125P124-N127 PolarHBondContact O-N 2.9Å; V125-N127 PolarHBondContact O-N 3.15Å
128K96.8Very high97.6Very high74 Ų7449.9 Ų49.932%0.32224%0.24SC..SBendtrans-73.7144179.5-63.4-76-177.7158.30110.5Q101 E102 L103 V125 T126 H130 Y131Q101-K128 WeakPolarHBondContact O-CE 3.43Å; E102-K128 IonicContact OE1-NZ 2.8Å; E102-K128 PolarHBondContact OE1-NZ 3.33Å; E102-K128 WeakPolarHBondContact OE2-CE 3.47Å; E102-K128 IonicContact OE2-NZ 2.95Å; E102-K128 PolarHBondContact OE2-NZ 2.88Å; L103-K128 HydrophobicContact CD1-CB 4.22Å; L103-K128 HydrophobicContact CD2-CB 4.27Å; L103-K128 HydrophobicContact CG-CB 4.12Å; L103-K128 HydrophobicContact CG-CG 4.44Å; V125-K128 HydrophobicContact CG2-CG 4.45Å; V125-K128 VanDerWaalsContact O-CB 3.31Å; V125-K128 WeakPolarHBondContact O-CB 3.33Å; V125-K128 WeakPolarHBondContact O-CG 3.25Å; V125-K128 PolarHBondContact O-N 3.14Å; V125-K128 VanDerWaalsContact O-N 3.09Å; T126-K128 VanDerWaalsContact C-N 3.32Å; K128-H130 PolarHBondContact O-N 3.03Å; K128-Y131 VanDerWaalsContact O-CB 3.24Å; K128-Y131 WeakPolarHBondContact O-CB 3.37Å; K128-Y131 PolarHBondContact O-N 3.22Å
129K95.2Very high97.6Very high178 Ų17850 Ų5077%0.77424%0.24SC*.THydrogen-bonded Turntrans-57.4136.9176.2-67.3-173.9179.1-177.40110.3Y131 M174K129-Y131 PolarHBondContact O-N 3.18Å; K129-Y131 VanDerWaalsContact O-N 3.1Å; K129-M174 WeakPolarHBondContact O-CE 3.41Å
130H95.6Very high97.5Very high92 Ų9253.4 Ų53.443%0.42626%0.263SS..THydrogen-bonded Turntrans56.321.5179.8-47.6-62.7000114.6K128 R132 L133 Y134 M161 M174K128-H130 PolarHBondContact O-N 3.03Å; H130-R132 VanDerWaalsContact C-N 3.33Å; H130-R132 PolarHBondContact O-N 2.9Å; H130-L133 PolarHBondContact O-N 3.08Å; H130-Y134 WeakPolarHBondContact O-CB 3.4Å; H130-Y134 PolarHBondContact O-N 2.81Å; H130-M161 HydrophobicContact CB-SD 4.03Å; H130-M161 WeakPolarHBondContact ND1-CE 3.36Å; H130-M174 HydrophobicContact CB-CE 3.8Å
131Y97.8Very high97.5Very high16 Ų1655.1 Ų55.16%0.06327%0.271CS..Hα-helixtrans-45-55.6179.3157.8-103.7000112.5L103 L106 L120 V125 T126 K128 K129 L133 Y134 V135 D146L103-Y131 HydrophobicContact CD2-CD2 3.75Å; L103-Y131 HydrophobicContact CD2-CG 4.48Å; L106-Y131 HydrophobicContact CD1-CE2 4.13Å; L120-Y131 VanDerWaalsContact CB-OH 3.27Å; L120-Y131 WeakPolarHBondContact CB-OH 3.32Å; L120-Y131 HydrophobicContact CD1-CE2 3.93Å; L120-Y131 WeakPolarHBondContact CD1-OH 3.35Å; V125-Y131 HydrophobicContact CG1-CD2 4.49Å; V125-Y131 HydrophobicContact CG1-CE2 4.11Å; V125-Y131 HydrophobicContact CG2-CD2 4.1Å; V125-Y131 HydrophobicContact CG2-CE2 4.37Å; V125-Y131 WeakPolarHBondContact O-CD2 3.37Å; T126-Y131 HydrophobicContact CG2-CE1 4.19Å; K128-Y131 VanDerWaalsContact O-CB 3.24Å; K128-Y131 WeakPolarHBondContact O-CB 3.37Å; K128-Y131 PolarHBondContact O-N 3.22Å; K129-Y131 PolarHBondContact O-N 3.18Å; K129-Y131 VanDerWaalsContact O-N 3.1Å; Y131-L133 PolarHBondContact O-N 2.64Å; Y131-Y134 WeakPolarHBondContact O-CB 3.01Å; Y131-Y134 PolarHBondContact O-N 3.11Å; Y131-V135 HydrophobicContact CD2-CG2 4.06Å; Y131-V135 HydrophobicContact CE2-CG2 3.64Å; Y131-V135 WeakPolarHBondContact O-CG2 3.28Å; Y131-V135 PolarHBondContact O-N 3.29Å; Y131-D146 WeakPolarHBondContact CE1-OD2 3.42Å; Y131-D146 PolarHBondContact OH-OD2 2.88Å
132R97.9Very high97.4Very high45 Ų4552 Ų5217%0.1725%0.254CS..Hα-helixtrans-62.2-46.9-175.8-172.1166.3176.484.54.4112.5H130 Y134 V135 I136 L145 E154H130-R132 VanDerWaalsContact C-N 3.33Å; H130-R132 PolarHBondContact O-N 2.9Å; R132-Y134 VanDerWaalsContact C-N 3.35Å; R132-Y134 PolarHBondContact O-N 3.32Å; R132-V135 PolarHBondContact O-N 2.79Å; R132-I136 HydrophobicContact CG-CD1 3.92Å; R132-I136 WeakPolarHBondContact O-CD1 3.34Å; R132-I136 VanDerWaalsContact O-CG1 3.24Å; R132-I136 WeakPolarHBondContact O-CG1 3.42Å; R132-I136 PolarHBondContact O-N 3.45Å; R132-L145 HydrophobicContact CG-CD2 4.03Å; R132-L145 PolarHBondContact NH1-O 2.93Å; R132-E154 IonicContact CZ-OE1 3.31Å; R132-E154 IonicContact NE-OE1 2.64Å; R132-E154 PolarHBondContact NE-OE1 3.09Å; R132-E154 IonicContact NH2-OE1 3.08Å; R132-E154 PolarHBondContact NH2-OE1 3.38Å; R132-E154 IonicContact NH2-OE2 2.72Å
133L97.8Very high97.5Very high27 Ų2752.7 Ų52.714%0.14125%0.253CS..Hα-helixtrans-66.2-37.4178.2-61.8-178.8000111.9H130 Y131 I136 N137 E157 A158 M161 F162H130-L133 PolarHBondContact O-N 3.08Å; Y131-L133 PolarHBondContact O-N 2.64Å; L133-I136 PolarHBondContact O-N 2.89Å; L133-N137 WeakPolarHBondContact O-CB 3.49Å; L133-N137 PolarHBondContact O-N 2.82Å; L133-E157 HydrophobicContact CD2-CB 4.22Å; L133-A158 HydrophobicContact CB-CB 4.13Å; L133-A158 HydrophobicContact CD2-CB 4.14Å; L133-A158 WeakPolarHBondContact O-CB 3.18Å; L133-M161 HydrophobicContact CD1-CE 3.72Å; L133-M161 HydrophobicContact CD1-SD 4Å; L133-F162 HydrophobicContact CB-CE2 4.36Å
134Y97.9Very high97.5Very high5 Ų554.5 Ų54.52%0.0226%0.264CS..Hα-helixtrans-60.5-49.2175.8-179.3-84.2000110.9L103 D107 H130 Y131 R132 N137 K138 F162 M174 A175L103-Y134 HydrophobicContact CB-CD1 3.84Å; L103-Y134 HydrophobicContact CB-CE1 3.74Å; L103-Y134 HydrophobicContact CB-CE2 4.39Å; L103-Y134 HydrophobicContact CB-CG 4.25Å; L103-Y134 HydrophobicContact CD1-CD1 4.4Å; L103-Y134 HydrophobicContact CD1-CD2 4.2Å; L103-Y134 HydrophobicContact CD1-CG 4.03Å; L103-Y134 HydrophobicContact CD2-CD1 4.02Å; L103-Y134 HydrophobicContact CD2-CG 4.28Å; L103-Y134 HydrophobicContact CG-CD1 4.32Å; L103-Y134 HydrophobicContact CG-CG 4.44Å; L103-Y134 WeakPolarHBondContact O-CE1 3.42Å; D107-Y134 PolarHBondContact OD1-OH 3.08Å; H130-Y134 WeakPolarHBondContact O-CB 3.4Å; H130-Y134 PolarHBondContact O-N 2.81Å; Y131-Y134 WeakPolarHBondContact O-CB 3.01Å; Y131-Y134 PolarHBondContact O-N 3.11Å; R132-Y134 VanDerWaalsContact C-N 3.35Å; R132-Y134 PolarHBondContact O-N 3.32Å; Y134-N137 PolarHBondContact O-N 2.97Å; Y134-K138 HydrophobicContact CD1-CB 4.49Å; Y134-K138 HydrophobicContact CE1-CB 4.2Å; Y134-K138 HydrophobicContact CE1-CG 4.36Å; Y134-K138 VanDerWaalsContact O-CB 3.25Å; Y134-K138 WeakPolarHBondContact O-CB 3.49Å; Y134-K138 PolarHBondContact O-N 2.74Å; Y134-F162 HydrophobicContact CD2-CE1 4.4Å; Y134-F162 HydrophobicContact CD2-CZ 4.15Å; Y134-M174 HydrophobicContact CD2-CB 4.12Å; Y134-M174 HydrophobicContact CD2-CE 3.92Å; Y134-M174 HydrophobicContact CE2-CB 4.03Å; Y134-M174 HydrophobicContact CG-CE 4.37Å; Y134-A175 VanDerWaalsContact OH-CB 3.27Å; Y134-A175 WeakPolarHBondContact OH-CB 3.22Å
135V98Very high97.5Very high0 Ų051.7 Ų51.70%025%0.246CC..Hα-helixtrans-61.8-46.2178.6175.40000110.9L106 L118 Y131 R132 N137 K138 I139 L145L106-V135 HydrophobicContact CD1-CG2 3.75Å; L118-V135 HydrophobicContact CD2-CG1 4.29Å; Y131-V135 HydrophobicContact CD2-CG2 4.06Å; Y131-V135 HydrophobicContact CE2-CG2 3.64Å; Y131-V135 WeakPolarHBondContact O-CG2 3.28Å; Y131-V135 PolarHBondContact O-N 3.29Å; R132-V135 PolarHBondContact O-N 2.79Å; V135-N137 VanDerWaalsContact C-N 3.31Å; V135-N137 PolarHBondContact O-N 2.61Å; V135-K138 PolarHBondContact O-N 2.75Å; V135-I139 HydrophobicContact CG1-CD1 4.23Å; V135-I139 PolarHBondContact O-N 3.39Å; V135-L145 HydrophobicContact CB-CD2 3.94Å; V135-L145 HydrophobicContact CG1-CD1 3.99Å; V135-L145 HydrophobicContact CG1-CD2 3.75Å
136I98Very high97.5Very high7 Ų752.7 Ų52.74%0.03625%0.251CS..Hα-helixtrans-59.8-41.5178.3-69.5165.5000111.6R132 L133 P140 V150 E154 R155 A158R132-I136 HydrophobicContact CG-CD1 3.92Å; R132-I136 WeakPolarHBondContact O-CD1 3.34Å; R132-I136 VanDerWaalsContact O-CG1 3.24Å; R132-I136 WeakPolarHBondContact O-CG1 3.42Å; R132-I136 PolarHBondContact O-N 3.45Å; L133-I136 PolarHBondContact O-N 2.89Å; I136-P140 WeakPolarHBondContact O-CA 3.31Å; I136-V150 HydrophobicContact CD1-CG1 3.85Å; I136-V150 HydrophobicContact CD1-CG2 4.39Å; I136-V150 HydrophobicContact CG1-CG1 3.89Å; I136-V150 HydrophobicContact CG1-CG2 4.16Å; I136-V150 HydrophobicContact CG2-CG1 4.08Å; I136-E154 HydrophobicContact CD1-CB 3.83Å; I136-R155 HydrophobicContact CG2-CB 4.47Å; I136-R155 HydrophobicContact CG2-CG 3.9Å; I136-A158 HydrophobicContact CB-CB 4.41Å; I136-A158 HydrophobicContact CG2-CB 4.11Å
137N97.1Very high97.5Very high62 Ų6256.7 Ų56.733%0.33227%0.265SS..Hα-helixtrans-71.4-41.4178.6-176.468.9000112.3L133 Y134 V135 A158 F162L133-N137 WeakPolarHBondContact O-CB 3.49Å; L133-N137 PolarHBondContact O-N 2.82Å; Y134-N137 PolarHBondContact O-N 2.97Å; V135-N137 VanDerWaalsContact C-N 3.31Å; V135-N137 PolarHBondContact O-N 2.61Å; N137-A158 HydrophobicContact CB-CB 4.1Å; N137-F162 HydrophobicContact CB-CD2 3.55Å; N137-F162 HydrophobicContact CB-CE2 4.02Å; N137-F162 HydrophobicContact CB-CG 4.39Å; N137-F162 WeakPolarHBondContact ND2-CB 3.29Å
138K96.9Very high97.6Very high76 Ų7655.5 Ų55.533%0.3326%0.255SS..Hα-helixtrans-79-33.1-174.2-170.963.3177-131.80112.9D107 A110 Y134 V135 P140D107-K138 WeakPolarHBondContact OD1-CE 3.45Å; D107-K138 IonicContact OD1-NZ 2.88Å; D107-K138 WeakPolarHBondContact OD2-CE 3.44Å; D107-K138 IonicContact OD2-NZ 3.56Å; D107-K138 PolarHBondContact OD2-NZ 2.98Å; A110-K138 HydrophobicContact CB-CG 4.46Å; A110-K138 WeakPolarHBondContact CB-O 3.47Å; Y134-K138 HydrophobicContact CD1-CB 4.49Å; Y134-K138 HydrophobicContact CE1-CB 4.2Å; Y134-K138 HydrophobicContact CE1-CG 4.36Å; Y134-K138 VanDerWaalsContact O-CB 3.25Å; Y134-K138 WeakPolarHBondContact O-CB 3.49Å; Y134-K138 PolarHBondContact O-N 2.74Å; V135-K138 PolarHBondContact O-N 2.75Å; K138-P140 VanDerWaalsContact C-CD 3.43Å; K138-P140 WeakPolarHBondContact O-CD 3.15Å
139I97.5Very high97.7Very high1 Ų159.8 Ų59.81%0.00527%0.274CS..  trans-123.768.9-177.3-42.5175000108.6L109 A110 L118 V135 Q141 I142L109-I139 HydrophobicContact CB-CD1 3.65Å; L109-I139 HydrophobicContact CD1-CD1 4.29Å; A110-I139 HydrophobicContact CB-CG1 4.47Å; L118-I139 HydrophobicContact CD2-CD1 4.3Å; V135-I139 HydrophobicContact CG1-CD1 4.23Å; V135-I139 PolarHBondContact O-N 3.39Å; I139-Q141 VanDerWaalsContact CG2-CD 3.46Å; I139-Q141 HydrophobicContact CG2-CG 4.05Å; I139-Q141 PolarHBondContact O-N 2.82Å; I139-Q141 VanDerWaalsContact O-N 3.14Å; I139-I142 HydrophobicContact CB-CG1 4.02Å; I139-I142 HydrophobicContact CG2-CD1 4.26Å; I139-I142 HydrophobicContact CG2-CG1 3.59Å; I139-I142 PolarHBondContact O-N 3.42Å; I139-I142 VanDerWaalsContact O-N 3.17Å
140P96.8Very high97.8Very high73 Ų7351.9 Ų51.947%0.47424%0.24SC..THydrogen-bonded Turntrans-64.4-20.6-17126.2-36.1000114.1I136 K138 I142 R155I136-P140 WeakPolarHBondContact O-CA 3.31Å; K138-P140 VanDerWaalsContact C-CD 3.43Å; K138-P140 WeakPolarHBondContact O-CD 3.15Å; P140-I142 PolarHBondContact O-N 2.97Å; P140-R155 PolarHBondContact O-NH1 2.65Å
141Q97.7Very high98Very high36 Ų3654.3 Ų54.317%0.16825%0.25CC..THydrogen-bonded Turntrans-67.6-18.517763.2-90.338.900114A110 V112 L115 I139 R143A110-Q141 PolarHBondContact O-NE2 3.23Å; V112-Q141 PolarHBondContact O-NE2 3.43Å; L115-Q141 CarbonylContact O-C 3.54Å; L115-Q141 WeakPolarHBondContact O-CG 3.08Å; I139-Q141 VanDerWaalsContact CG2-CD 3.46Å; I139-Q141 HydrophobicContact CG2-CG 4.05Å; I139-Q141 PolarHBondContact O-N 2.82Å; I139-Q141 VanDerWaalsContact O-N 3.14Å; Q141-R143 PolarHBondContact O-N 2.89Å
142I98.2Very high98Very high1 Ų159.2 Ų59.21%0.00528%0.277CS..  trans-63.3130.3179-66.6-66000110.7L115 L118 I139 P140 V144 L145 V150 R155L115-I142 HydrophobicContact CB-CD1 4.46Å; L115-I142 HydrophobicContact CD2-CD1 3.87Å; L115-I142 HydrophobicContact CG-CD1 3.73Å; L118-I142 HydrophobicContact CB-CD1 3.64Å; L118-I142 HydrophobicContact CD2-CD1 4.5Å; I139-I142 HydrophobicContact CB-CG1 4.02Å; I139-I142 HydrophobicContact CG2-CD1 4.26Å; I139-I142 HydrophobicContact CG2-CG1 3.59Å; I139-I142 PolarHBondContact O-N 3.42Å; I139-I142 VanDerWaalsContact O-N 3.17Å; P140-I142 PolarHBondContact O-N 2.97Å; I142-V144 WeakPolarHBondContact CG2-O 3.45Å; I142-L145 HydrophobicContact CG2-CB 4.01Å; I142-V150 HydrophobicContact CG2-CG2 4.17Å; I142-R155 PolarHBondContact O-NH2 3.29Å
143R98.4Very high98Very high168 Ų16864.5 Ų64.563%0.63430%0.301SS*.SBendtrans-104.8-34.1176.4-60.2179.569.8-173.42.2111.7T116 Q141 V150T116-R143 HydrophobicContact CG2-CG 4.32Å; T116-R143 PolarHBondContact O-N 2.83Å; Q141-R143 PolarHBondContact O-N 2.89Å; R143-V150 PolarHBondContact O-N 3.14Å
144V98.8Very high98Very high42 Ų4264.7 Ų64.726%0.25530%0.301SS..EExtended strand (participates in β ladder)trans-129121.3179.4-177.90000108.6T116 L117 L118 I142T116-V144 PolarHBondContact O-N 3.47Å; L117-V144 WeakPolarHBondContact CA-O 3.46Å; L117-V144 HydrophobicContact CB-CB 4.49Å; L117-V144 HydrophobicContact CD1-CB 4.41Å; L117-V144 HydrophobicContact CD1-CG1 4.34Å; L117-V144 HydrophobicContact CG-CB 4.18Å; L117-V144 HydrophobicContact CG-CG1 4.28Å; L118-V144 PolarHBondContact N-O 3.35Å; I142-V144 WeakPolarHBondContact CG2-O 3.45Å
145L98.8Very high98Very high0 Ų068 Ų680%031%0.313CS..EExtended strand (participates in β ladder)trans-122.6124177.2177.761.4000108.9L118 R132 V135 I142 F147 Q148 V150L118-L145 HydrophobicContact CB-CD1 4.21Å; L118-L145 HydrophobicContact CD2-CD1 4.24Å; L118-L145 HydrophobicContact CG-CD1 4.18Å; L118-L145 CarbonylContact O-C 3.56Å; L118-L145 WeakPolarHBondContact O-CA 3.38Å; R132-L145 HydrophobicContact CG-CD2 4.03Å; R132-L145 PolarHBondContact NH1-O 2.93Å; V135-L145 HydrophobicContact CB-CD2 3.94Å; V135-L145 HydrophobicContact CG1-CD1 3.99Å; V135-L145 HydrophobicContact CG1-CD2 3.75Å; I142-L145 HydrophobicContact CG2-CB 4.01Å; L145-F147 VanDerWaalsContact C-N 3.27Å; L145-F147 PolarHBondContact O-N 2.94Å; L145-Q148 PolarHBondContact N-O 3.37Å; L145-Q148 WeakPolarHBondContact O-CB 3.44Å; L145-Q148 PolarHBondContact O-N 3.03Å; L145-Q148 VanDerWaalsContact O-O 3.08Å; L145-V150 HydrophobicContact CB-CG2 4.11Å
146D98.3Very high98Very high21 Ų2173.3 Ų73.311%0.11234%0.338CS..THydrogen-bonded Turntrans54.943.6-177.9-59.7-39.8000112.4L118 L120 L121 Y131 Q148L118-D146 PolarHBondContact O-N 2.84Å; L120-D146 PolarHBondContact N-OD1 2.96Å; L121-D146 HydrophobicContact CD2-CB 3.73Å; L121-D146 HydrophobicContact CG-CB 3.87Å; L121-D146 PolarHBondContact N-OD1 2.81Å; Y131-D146 WeakPolarHBondContact CE1-OD2 3.42Å; Y131-D146 PolarHBondContact OH-OD2 2.88Å; D146-Q148 PolarHBondContact O-N 3.12Å; D146-Q148 VanDerWaalsContact O-N 3.07Å
147F97.9Very high97.9Very high122 Ų12278.1 Ų78.154%0.53536%0.36SS..THydrogen-bonded Turntrans59.215.3-174.8-50-68.7000114.7V94 S119 L121 L145V94-F147 HydrophobicContact CG1-CZ 4.42Å; S119-F147 WeakPolarHBondContact OG-CE2 3.3Å; L121-F147 HydrophobicContact CD1-CD2 3.7Å; L121-F147 HydrophobicContact CD1-CE2 3.9Å; L145-F147 VanDerWaalsContact C-N 3.27Å; L145-F147 PolarHBondContact O-N 2.94Å
148Q98.3Very high97.9Very high120 Ų12075.2 Ų75.256%0.56135%0.345SS*.EExtended strand (participates in β ladder)trans-113.2126.5173.9-62.9-174.1-7.800110.8L145 D146 V150L145-Q148 PolarHBondContact N-O 3.37Å; L145-Q148 WeakPolarHBondContact O-CB 3.44Å; L145-Q148 PolarHBondContact O-N 3.03Å; L145-Q148 VanDerWaalsContact O-O 3.08Å; D146-Q148 PolarHBondContact O-N 3.12Å; D146-Q148 VanDerWaalsContact O-N 3.07Å; Q148-V150 PolarHBondContact O-N 2.96Å
149K98.5Very high97.9Very high164 Ų16477.2 Ų77.271%0.71336%0.355SS*.EExtended strand (participates in β ladder)trans-58.6129.9175.3-174.2175-178.5176.60110.5K151K149-K151 PolarHBondContact O-N 2.61Å
150V98.4Very high97.8Very high11 Ų1185.5 Ų85.57%0.06739%0.391CS..PPolyproline II helixtrans-73.6118173.8177.50000109.1I136 I142 R143 L145 Q148 R155I136-V150 HydrophobicContact CD1-CG1 3.85Å; I136-V150 HydrophobicContact CD1-CG2 4.39Å; I136-V150 HydrophobicContact CG1-CG1 3.89Å; I136-V150 HydrophobicContact CG1-CG2 4.16Å; I136-V150 HydrophobicContact CG2-CG1 4.08Å; I142-V150 HydrophobicContact CG2-CG2 4.17Å; R143-V150 PolarHBondContact O-N 3.14Å; L145-V150 HydrophobicContact CB-CG2 4.11Å; Q148-V150 PolarHBondContact O-N 2.96Å; V150-R155 HydrophobicContact CG1-CG 3.97Å
151K98.2Very high97.7Very high143 Ų14384.8 Ų84.862%0.62238%0.382SS*.PPolyproline II helixtrans-88.5156.3-179.1-61.2178.6-177.4175.90111.2K149 K153 E154 R155K149-K151 PolarHBondContact O-N 2.61Å; K151-K153 VanDerWaalsContact C-N 3.27Å; K151-K153 PolarHBondContact O-N 3.47Å; K151-E154 HydrophobicContact CB-CG 4.34Å; K151-E154 WeakPolarHBondContact CB-OE2 3.32Å; K151-E154 PolarHBondContact N-OE2 2.93Å; K151-E154 PolarHBondContact O-N 2.83Å; K151-R155 PolarHBondContact O-N 3.09Å
152L97.7Very high97.6Very high120 Ų12083.7 Ų83.763%0.62838%0.377SS*.Hα-helixtrans-59.9-37.2177.5-176.561.7000112.5E154 R155 Q156L152-E154 VanDerWaalsContact C-N 3.32Å; L152-E154 PolarHBondContact O-N 3.38Å; L152-R155 WeakPolarHBondContact O-CB 3.4Å; L152-R155 PolarHBondContact O-N 3.01Å; L152-R155 VanDerWaalsContact O-N 3.16Å; L152-Q156 WeakPolarHBondContact O-CG 3.48Å; L152-Q156 PolarHBondContact O-N 3.28Å
153K98Very high97.3Very high155 Ų15593 Ų9367%0.67441%0.412SS*.Hα-helixtrans-56.8-45.7176.2-67-173177.8-175.60111.8K151 R155 Q156 E157K151-K153 VanDerWaalsContact C-N 3.27Å; K151-K153 PolarHBondContact O-N 3.47Å; K153-R155 VanDerWaalsContact C-N 3.3Å; K153-R155 PolarHBondContact O-N 3.18Å; K153-Q156 PolarHBondContact O-N 3.34Å; K153-E157 WeakPolarHBondContact O-CG 3.45Å; K153-E157 PolarHBondContact O-N 3.17Å
154E98.1Very high97.1Very high32 Ų3287.2 Ų87.215%0.1541%0.405CS..Hα-helixtrans-65-36179.2-57.6174.590.300111.6R132 I136 K151 L152 E157 A158R132-E154 IonicContact CZ-OE1 3.31Å; R132-E154 IonicContact NE-OE1 2.64Å; R132-E154 PolarHBondContact NE-OE1 3.09Å; R132-E154 IonicContact NH2-OE1 3.08Å; R132-E154 PolarHBondContact NH2-OE1 3.38Å; R132-E154 IonicContact NH2-OE2 2.72Å; I136-E154 HydrophobicContact CD1-CB 3.83Å; K151-E154 HydrophobicContact CB-CG 4.34Å; K151-E154 WeakPolarHBondContact CB-OE2 3.32Å; K151-E154 PolarHBondContact N-OE2 2.93Å; K151-E154 PolarHBondContact O-N 2.83Å; L152-E154 VanDerWaalsContact C-N 3.32Å; L152-E154 PolarHBondContact O-N 3.38Å; E154-E157 PolarHBondContact O-N 3.47Å; E154-A158 VanDerWaalsContact O-CB 3.24Å; E154-A158 WeakPolarHBondContact O-CB 3.24Å; E154-A158 PolarHBondContact O-N 3.37Å
155R98.1Very high96.8Very high74 Ų7494.8 Ų94.828%0.27944%0.435SS..Hα-helixtrans-63.7-45.5174.5-64.5-177-178.7-82-0.4111.7I136 P140 I142 V150 K151 L152 K153 E157 A158 E159I136-R155 HydrophobicContact CG2-CB 4.47Å; I136-R155 HydrophobicContact CG2-CG 3.9Å; P140-R155 PolarHBondContact O-NH1 2.65Å; I142-R155 PolarHBondContact O-NH2 3.29Å; V150-R155 HydrophobicContact CG1-CG 3.97Å; K151-R155 PolarHBondContact O-N 3.09Å; L152-R155 WeakPolarHBondContact O-CB 3.4Å; L152-R155 PolarHBondContact O-N 3.01Å; L152-R155 VanDerWaalsContact O-N 3.16Å; K153-R155 VanDerWaalsContact C-N 3.3Å; K153-R155 PolarHBondContact O-N 3.18Å; R155-E157 VanDerWaalsContact C-N 3.35Å; R155-A158 PolarHBondContact O-N 3.43Å; R155-E159 WeakPolarHBondContact O-CB 3.36Å; R155-E159 PolarHBondContact O-N 3.11Å
156Q97.8Very high96.4Very high111 Ų111105.7 Ų105.752%0.51948%0.476SS..Hα-helixtrans-64.6-39.7177.5-68.5171.9-14.900111.8L152 K153 K160L152-Q156 WeakPolarHBondContact O-CG 3.48Å; L152-Q156 PolarHBondContact O-N 3.28Å; K153-Q156 PolarHBondContact O-N 3.34Å; Q156-K160 VanDerWaalsContact O-CB 3.3Å; Q156-K160 WeakPolarHBondContact O-CB 3.24Å; Q156-K160 PolarHBondContact O-N 2.86Å
157E97.4Very high96.1Very high108 Ų108104.8 Ų104.851%0.50547%0.472SS..Hα-helixtrans-64.5-45.3175.2-74.4171.3-162.700112L133 K153 E154 R155 K160 M161L133-E157 HydrophobicContact CD2-CB 4.22Å; K153-E157 WeakPolarHBondContact O-CG 3.45Å; K153-E157 PolarHBondContact O-N 3.17Å; E154-E157 PolarHBondContact O-N 3.47Å; R155-E157 VanDerWaalsContact C-N 3.35Å; E157-K160 PolarHBondContact O-N 3.1Å; E157-M161 WeakPolarHBondContact O-CB 3.3Å; E157-M161 PolarHBondContact O-N 3.45Å
158A96.9Very high95.7Very high1 Ų1102.5 Ų102.51%0.00847%0.468CS..Hα-helixtrans-62.1-47.4176.800000111L133 I136 N137 E154 R155 K160 M161 F162L133-A158 HydrophobicContact CB-CB 4.13Å; L133-A158 HydrophobicContact CD2-CB 4.14Å; L133-A158 WeakPolarHBondContact O-CB 3.18Å; I136-A158 HydrophobicContact CB-CB 4.41Å; I136-A158 HydrophobicContact CG2-CB 4.11Å; N137-A158 HydrophobicContact CB-CB 4.1Å; E154-A158 VanDerWaalsContact O-CB 3.24Å; E154-A158 WeakPolarHBondContact O-CB 3.24Å; E154-A158 PolarHBondContact O-N 3.37Å; R155-A158 PolarHBondContact O-N 3.43Å; A158-K160 PolarHBondContact O-N 2.94Å; A158-M161 PolarHBondContact O-N 3.29Å; A158-F162 WeakPolarHBondContact O-CD2 3.48Å; A158-F162 PolarHBondContact O-N 2.9Å
159E96Very high95.4Very high118 Ų118101.5 Ų101.555%0.55146%0.463SS*.Hα-helixtrans-57.6-49175.2-174.1-176.4173.300110.9R155 M161 F162 R163R155-E159 WeakPolarHBondContact O-CB 3.36Å; R155-E159 PolarHBondContact O-N 3.11Å; E159-M161 VanDerWaalsContact C-N 3.3Å; E159-M161 PolarHBondContact O-N 2.98Å; E159-F162 PolarHBondContact O-N 3.3Å; E159-R163 WeakPolarHBondContact O-CB 3.35Å; E159-R163 PolarHBondContact O-N 2.8Å
160K96.1Very high95Very high175 Ų17596.7 Ų96.776%0.76145%0.445SS*.Hα-helixtrans-59.2-40178.6-175.3179.2178.8-178.40112.4Q156 E157 A158Q156-K160 VanDerWaalsContact O-CB 3.3Å; Q156-K160 WeakPolarHBondContact O-CB 3.24Å; Q156-K160 PolarHBondContact O-N 2.86Å; E157-K160 PolarHBondContact O-N 3.1Å; A158-K160 PolarHBondContact O-N 2.94Å
161M94.8Very high94.7Very high58 Ų5897.3 Ų97.329%0.28645%0.451SS..Hα-helixtrans-67.5-40.4179.8-178.8172.2-74.200112.4H130 L133 E157 A158 E159 L170H130-M161 HydrophobicContact CB-SD 4.03Å; H130-M161 WeakPolarHBondContact ND1-CE 3.36Å; L133-M161 HydrophobicContact CD1-CE 3.72Å; L133-M161 HydrophobicContact CD1-SD 4Å; E157-M161 WeakPolarHBondContact O-CB 3.3Å; E157-M161 PolarHBondContact O-N 3.45Å; A158-M161 PolarHBondContact O-N 3.29Å; E159-M161 VanDerWaalsContact C-N 3.3Å; E159-M161 PolarHBondContact O-N 2.98Å; M161-L170 HydrophobicContact CG-CD2 4.11Å
162F94.4Very high94.3Very high14 Ų1497 Ų976%0.06145%0.45CS..Hα-helixtrans-100.54.4-174.8-61.3-68000114.2L133 Y134 N137 A158 E159 G167 L170 A171 M174L133-F162 HydrophobicContact CB-CE2 4.36Å; Y134-F162 HydrophobicContact CD2-CE1 4.4Å; Y134-F162 HydrophobicContact CD2-CZ 4.15Å; N137-F162 HydrophobicContact CB-CD2 3.55Å; N137-F162 HydrophobicContact CB-CE2 4.02Å; N137-F162 HydrophobicContact CB-CG 4.39Å; N137-F162 WeakPolarHBondContact ND2-CB 3.29Å; A158-F162 WeakPolarHBondContact O-CD2 3.48Å; A158-F162 PolarHBondContact O-N 2.9Å; E159-F162 PolarHBondContact O-N 3.3Å; F162-G167 CarbonylContact O-C 3.51Å; F162-G167 WeakPolarHBondContact O-CA 3.35Å; F162-L170 HydrophobicContact CE1-CD2 4.21Å; F162-L170 HydrophobicContact CE1-CG 4.29Å; F162-A171 HydrophobicContact CD1-CB 3.89Å; F162-A171 HydrophobicContact CE1-CB 4.29Å; F162-M174 HydrophobicContact CE1-SD 3.95Å; F162-M174 HydrophobicContact CZ-CE 4.28Å; F162-M174 HydrophobicContact CZ-SD 4.23Å
163R92.9Very high94Very high195 Ų19595.2 Ų95.274%0.73644%0.441SS*.  trans-70.7143.6177.3-174172-179.8-168.30.2113E159 G167E159-R163 WeakPolarHBondContact O-CB 3.35Å; E159-R163 PolarHBondContact O-N 2.8Å; R163-G167 PolarHBondContact O-N 3.4Å
164G93.8Very high93.7Very high47 Ų4789.2 Ų89.249%0.48542%0.415SS..Hα-helixtrans72.1-176.3172.200000114.4R166 G167 V168G164-R166 VanDerWaalsContact C-N 3.29Å; G164-R166 PolarHBondContact O-N 3.48Å; G164-G167 PolarHBondContact O-N 3.43Å; G164-V168 WeakPolarHBondContact O-CG2 3.24Å; G164-V168 PolarHBondContact O-N 3.5Å
165K92.3Very high93.2Very high202 Ų20288.9 Ų88.988%0.87842%0.418SS*.Hα-helixtrans-58.1-39.1-173.9-64.8-177.5-179.6179.30113.1Q169K165-Q169 PolarHBondContact O-N 3.02Å; K165-Q169 VanDerWaalsContact O-N 3.13Å
166R90.8Very high92.9Very high228 Ų22893.7 Ų93.786%0.8644%0.436SS*.Hα-helixtrans-68.6-43.5179.3-67.7179.868.8147.90.7112.1G164 Q169 L170G164-R166 VanDerWaalsContact C-N 3.29Å; G164-R166 PolarHBondContact O-N 3.48Å; R166-Q169 PolarHBondContact O-N 3.13Å; R166-L170 PolarHBondContact O-N 2.89Å
167G91.1Very high92.4Very high3 Ų393.7 Ų93.73%0.03143%0.432CS..Hα-helixtrans-65.3-38.7177.500000112.6F162 R163 G164 Q169 L170 A171F162-G167 CarbonylContact O-C 3.51Å; F162-G167 WeakPolarHBondContact O-CA 3.35Å; R163-G167 PolarHBondContact O-N 3.4Å; G164-G167 PolarHBondContact O-N 3.43Å; G167-Q169 PolarHBondContact O-N 3.33Å; G167-L170 PolarHBondContact O-N 2.93Å; G167-A171 WeakPolarHBondContact O-CB 3.31Å; G167-A171 PolarHBondContact O-N 3.3Å
168V90.1Very high91.8Very high74 Ų7489.7 Ų89.745%0.44842%0.415SS..Hα-helixtrans-62.5-42.2173.3173.40000111.6G164 A171 K172G164-V168 WeakPolarHBondContact O-CG2 3.24Å; G164-V168 PolarHBondContact O-N 3.5Å; V168-A171 PolarHBondContact O-N 2.99Å; V168-K172 WeakPolarHBondContact O-CG 3.45Å; V168-K172 PolarHBondContact O-N 3.33Å
169Q91.9Very high90.9Very high98 Ų9899.6 Ų99.646%0.45846%0.457SS..Hα-helixtrans-65.1-44.4176.5-172.159.241.500111.5K165 R166 G167 A171 K172 D173K165-Q169 PolarHBondContact O-N 3.02Å; K165-Q169 VanDerWaalsContact O-N 3.13Å; R166-Q169 PolarHBondContact O-N 3.13Å; G167-Q169 PolarHBondContact O-N 3.33Å; Q169-A171 VanDerWaalsContact C-N 3.33Å; Q169-A171 PolarHBondContact O-N 2.64Å; Q169-K172 WeakPolarHBondContact O-CB 3.24Å; Q169-K172 PolarHBondContact O-N 2.66Å; Q169-K172 VanDerWaalsContact O-N 3.14Å; Q169-D173 PolarHBondContact NE2-OD1 3.2Å; Q169-D173 VanDerWaalsContact O-CG 3.23Å; Q169-D173 PolarHBondContact O-N 2.92Å
170L91.1Very high89.3Confident64 Ų6496 Ų9634%0.33544%0.444SS..Hα-helixtrans-58.5-45.2175.4179.264.2000111.6M161 F162 R166 G167 K172 D173 M174M161-L170 HydrophobicContact CG-CD2 4.11Å; F162-L170 HydrophobicContact CE1-CD2 4.21Å; F162-L170 HydrophobicContact CE1-CG 4.29Å; R166-L170 PolarHBondContact O-N 2.89Å; G167-L170 PolarHBondContact O-N 2.93Å; L170-K172 VanDerWaalsContact C-N 3.32Å; L170-K172 PolarHBondContact O-N 3.46Å; L170-D173 PolarHBondContact O-N 3.11Å; L170-M174 HydrophobicContact CD1-CG 4.28Å; L170-M174 HydrophobicContact CD1-SD 3.87Å; L170-M174 HydrophobicContact CD2-SD 4.4Å; L170-M174 HydrophobicContact CG-SD 3.76Å; L170-M174 WeakPolarHBondContact O-CB 3.08Å; L170-M174 VanDerWaalsContact O-CG 3.24Å; L170-M174 WeakPolarHBondContact O-CG 3.44Å; L170-M174 PolarHBondContact O-N 3.02Å
171A90.6Very high87.1Confident24 Ų2495.1 Ų95.120%0.19844%0.44CS..Hα-helixtrans-59.5-42.8175.900000111.4F162 G167 V168 Q169 M174 A175F162-A171 HydrophobicContact CD1-CB 3.89Å; F162-A171 HydrophobicContact CE1-CB 4.29Å; G167-A171 WeakPolarHBondContact O-CB 3.31Å; G167-A171 PolarHBondContact O-N 3.3Å; V168-A171 PolarHBondContact O-N 2.99Å; Q169-A171 VanDerWaalsContact C-N 3.33Å; Q169-A171 PolarHBondContact O-N 2.64Å; A171-M174 PolarHBondContact O-N 3.16Å; A171-A175 WeakPolarHBondContact O-CB 3.46Å; A171-A175 PolarHBondContact O-N 3.45Å
172K90.8Very high85Confident137 Ų13794.9 Ų94.960%0.59644%0.442SS*.Hα-helixtrans-63.7-41.9175.6-74.7178.7179.7-177.40112.7V168 Q169 L170 M174 A175V168-K172 WeakPolarHBondContact O-CG 3.45Å; V168-K172 PolarHBondContact O-N 3.33Å; Q169-K172 WeakPolarHBondContact O-CB 3.24Å; Q169-K172 PolarHBondContact O-N 2.66Å; Q169-K172 VanDerWaalsContact O-N 3.14Å; L170-K172 VanDerWaalsContact C-N 3.32Å; L170-K172 PolarHBondContact O-N 3.46Å; K172-M174 VanDerWaalsContact C-N 3.26Å; K172-M174 PolarHBondContact O-N 2.88Å; K172-A175 PolarHBondContact O-N 3.4Å
173D91.1Very high82.5Confident82 Ų8299.5 Ų99.544%0.43947%0.473SS..Hα-helixtrans-66.6-32.6179.8-65.8-20.5000111.6Q169 L170 R176Q169-D173 PolarHBondContact NE2-OD1 3.2Å; Q169-D173 VanDerWaalsContact O-CG 3.23Å; Q169-D173 PolarHBondContact O-N 2.92Å; L170-D173 PolarHBondContact O-N 3.11Å; D173-R176 WeakPolarHBondContact O-CG 3.47Å; D173-R176 PolarHBondContact O-NE 2.98Å
174M90.7Very high80.6Confident28 Ų2894.2 Ų94.214%0.13848%0.479CS..Hα-helixtrans-81.3-29.9175.6-69173.567.200113.5L103 K129 H130 Y134 F162 L170 A171 K172 R176L103-M174 HydrophobicContact CD1-CB 4.12Å; L103-M174 HydrophobicContact CD1-CE 3.5Å; L103-M174 VanDerWaalsContact CD1-CE 3.5Å; K129-M174 WeakPolarHBondContact O-CE 3.41Å; H130-M174 HydrophobicContact CB-CE 3.8Å; Y134-M174 HydrophobicContact CD2-CB 4.12Å; Y134-M174 HydrophobicContact CD2-CE 3.92Å; Y134-M174 HydrophobicContact CE2-CB 4.03Å; Y134-M174 HydrophobicContact CG-CE 4.37Å; F162-M174 HydrophobicContact CE1-SD 3.95Å; F162-M174 HydrophobicContact CZ-CE 4.28Å; F162-M174 HydrophobicContact CZ-SD 4.23Å; L170-M174 HydrophobicContact CD1-CG 4.28Å; L170-M174 HydrophobicContact CD1-SD 3.87Å; L170-M174 HydrophobicContact CD2-SD 4.4Å; L170-M174 HydrophobicContact CG-SD 3.76Å; L170-M174 WeakPolarHBondContact O-CB 3.08Å; L170-M174 VanDerWaalsContact O-CG 3.24Å; L170-M174 WeakPolarHBondContact O-CG 3.44Å; L170-M174 PolarHBondContact O-N 3.02Å; A171-M174 PolarHBondContact O-N 3.16Å; K172-M174 VanDerWaalsContact C-N 3.26Å; K172-M174 PolarHBondContact O-N 2.88Å; M174-R176 PolarHBondContact O-N 2.81Å
175A89.4Confident78.1Confident25 Ų2596.3 Ų96.321%0.20748%0.482CS..  trans-73.826.3-178.400000114Y134 A171 K172Y134-A175 VanDerWaalsContact OH-CB 3.27Å; Y134-A175 WeakPolarHBondContact OH-CB 3.22Å; A171-A175 WeakPolarHBondContact O-CB 3.46Å; A171-A175 PolarHBondContact O-N 3.45Å; K172-A175 PolarHBondContact O-N 3.4Å
176R90.4Very high75.6Confident175 Ų17592.8 Ų92.866%0.6648%0.477SS*.  trans-61.2143.4171.8-66.2177.3-174.2-155-2.6108.5E102 G104 D173 M174E102-R176 WeakPolarHBondContact CB-O 3.28Å; G104-R176 VanDerWaalsContact CA-O 3.28Å; G104-R176 WeakPolarHBondContact CA-O 3.37Å; G104-R176 PolarHBondContact N-O 3.18Å; D173-R176 WeakPolarHBondContact O-CG 3.47Å; D173-R176 PolarHBondContact O-NE 2.98Å; M174-R176 PolarHBondContact O-N 2.81Å
177R87.2Confident73.3Confident112 Ų11288.2 Ų88.242%0.42347%0.466SS..  trans-113151.2176.7-75.9-176.3177.8-172.51.7110.6E81 G104 D105 K179E81-R177 IonicContact OE1-CZ 3.77Å; E81-R177 VanDerWaalsContact OE1-CZ 3.31Å; E81-R177 IonicContact OE1-NH1 3.1Å; E81-R177 PolarHBondContact OE1-NH1 3.48Å; E81-R177 IonicContact OE1-NH2 3.37Å; E81-R177 PolarHBondContact OE1-NH2 3.04Å; E81-R177 VanDerWaalsContact OE1-NH2 3.08Å; G104-R177 VanDerWaalsContact O-CG 3.3Å; G104-R177 WeakPolarHBondContact O-CG 3.33Å; G104-R177 PolarHBondContact O-NE 3.05Å; D105-R177 VanDerWaalsContact OD1-CA 3.29Å; D105-R177 WeakPolarHBondContact OD1-CA 3.46Å; D105-R177 WeakPolarHBondContact OD1-CB 3.47Å; R177-K179 PolarHBondContact O-N 3.31Å
178T85.9Confident70.9Confident24 Ų2494 Ų9415%0.14750%0.503CS..  trans-70.5123.8178.9-56.50000110.8R78 D105 T180R78-T178 PolarHBondContact NH2-O 3.21Å; D105-T178 PolarHBondContact OD1-N 3.44Å; D105-T178 WeakPolarHBondContact OD2-CB 3Å; D105-T178 PolarHBondContact OD2-N 3.09Å; D105-T178 PolarHBondContact OD2-OG1 3.14Å; T178-T180 WeakPolarHBondContact CG2-OG1 2.87Å; T178-T180 PolarHBondContact O-N 3.38Å
179K77.3Confident68.4Low208 Ų20897.1 Ų97.190%0.90451%0.513SS*.  trans-81.864.3174.5-63-178.3-176.5177.60111R177 F181R177-K179 PolarHBondContact O-N 3.31Å; K179-F181 PolarHBondContact O-N 3.49Å
180T62.9Low66Low44 Ų44102 Ų10227%0.2753%0.532SS..  trans-74121.4175-34.90000111.1R78 T178 T182R78-T180 VanDerWaalsContact CZ-CB 3.41Å; R78-T180 PolarHBondContact NH1-O 3.03Å; R78-T180 PolarHBondContact NH2-O 2.82Å; T178-T180 WeakPolarHBondContact CG2-OG1 2.87Å; T178-T180 PolarHBondContact O-N 3.38Å; T180-T182 PolarHBondContact O-N 3.46Å
181F50.4Low63.6Low156 Ų156109.5 Ų109.568%0.68456%0.556SS**  trans-79.4117.6166.1-176.3-102.1000108K179 P183K179-F181 PolarHBondContact O-N 3.49Å; F181-P183 HydrophobicContact CD1-CG 4.02Å; F181-P183 HydrophobicContact CE1-CB 4.37Å; F181-P183 HydrophobicContact CE1-CG 3.91Å; F181-P183 WeakPolarHBondContact O-CD 3.35Å
182T51.1Low61.6Low53 Ų53119 Ų11933%0.32559%0.587SS.*  trans-105.1104.817342.40000108.5T180 G184T180-T182 PolarHBondContact O-N 3.46Å; T182-G184 PolarHBondContact O-N 3.34Å
183P41.2Very low59.9Low111 Ų111118.6 Ų118.672%0.72160%0.596SS**THydrogen-bonded Turntrans-60.1126.8171.7-1728.6000109.5F181F181-P183 HydrophobicContact CD1-CG 4.02Å; F181-P183 HydrophobicContact CE1-CB 4.37Å; F181-P183 HydrophobicContact CE1-CG 3.91Å; F181-P183 WeakPolarHBondContact O-CD 3.35Å
184G51.9Low58.4Low83 Ų83117.2 Ų117.286%0.85660%0.601SS**THydrogen-bonded Turntrans101.1-6.5174.800000116.6T182T182-G184 PolarHBondContact O-N 3.34Å
185V41.4Very low57.4Low91 Ų91119.7 Ų119.755%0.55262%0.619SS**SBendtrans-88.3116.2164-1780000107Q187V185-Q187 VanDerWaalsContact C-N 3.29Å; V185-Q187 PolarHBondContact O-N 2.82Å
186V41.1Very low56.7Low128 Ų128121.3 Ų121.378%0.77663%0.629SS**  trans-55101.8164.8-179.20000105.4
187Q41.8Very low56Low133 Ų133120.9 Ų120.962%0.62164%0.635SS**  trans-51.5138.3163.6-67.1177.630.100104.8V185 E189V185-Q187 VanDerWaalsContact C-N 3.29Å; V185-Q187 PolarHBondContact O-N 2.82Å; Q187-E189 PolarHBondContact O-N 2.71Å
188P41.2Very low55.5Low123 Ų123118.6 Ų118.680%0.79964%0.64SS**  trans-52.2109.5161.723.2-29.3000103.5K190P188-K190 PolarHBondContact O-N 2.67Å
189E36.5Very low55Low141 Ų141118.7 Ų118.766%0.65964%0.64SS**  trans-48.7127.8175.8-74.2-149.4159.700103.1Q187 R191Q187-E189 PolarHBondContact O-N 2.71Å; E189-R191 PolarHBondContact O-N 2.99Å
190K42Very low55.1Low199 Ų199111.4 Ų111.487%0.86561%0.612SS**  trans-46.4107.4159.1-80.8-178.8176.7179.80102.6P188 R192P188-K190 PolarHBondContact O-N 2.67Å; K190-R192 PolarHBondContact O-N 2.61Å
191R40.1Very low55.9Low223 Ų223114.8 Ų114.884%0.84263%0.625SS**  trans-44.7116.3176.2-74.7-176.1176.7-156.3-0.5102.3E189 T193E189-R191 PolarHBondContact O-N 2.99Å; R191-T193 PolarHBondContact O-N 3.06Å
192R48.7Very low57.4Low222 Ų222109 Ų10984%0.83861%0.606SS**  trans-56.396.1178.2-71-179.7172.8-161.1-3103.4K190 G194K190-R192 PolarHBondContact O-N 2.61Å; R192-G194 PolarHBondContact O-N 2.81Å
193T55.1Low58.7Low130 Ų130107.8 Ų107.880%0.79860%0.597SS**PPolyproline II helixtrans-60.3119.5177.639.20000102.1R191R191-T193 PolarHBondContact O-N 3.06Å
194G60.2Low60.7Low53 Ų53109 Ų10955%0.54659%0.591SS.*PPolyproline II helixtrans-50.1164.6176.900000110.7R192 S196R192-G194 PolarHBondContact O-N 2.81Å; G194-S196 PolarHBondContact O-N 3.34Å
195P70.3Confident62.2Low79 Ų79109.5 Ų109.551%0.51357%0.574SS.*SBendtrans-46.3137.8176.419.3-30.8000110D199 V200P195-D199 HydrophobicContact CB-CB 3.76Å; P195-V200 HydrophobicContact CB-CG2 4.25Å; P195-V200 HydrophobicContact CG-CG2 4.05Å
196S74.8Confident64.1Low59 Ų59106.4 Ų106.441%0.41356%0.558SS.*PPolyproline II helixtrans-58.5159.6-177.8700000110.3G194 A198 D199 V200G194-S196 PolarHBondContact O-N 3.34Å; S196-A198 PolarHBondContact O-N 3.3Å; S196-A198 VanDerWaalsContact O-N 3.16Å; S196-D199 WeakPolarHBondContact CB-OD2 3.46Å; S196-D199 PolarHBondContact N-OD2 3.38Å; S196-D199 WeakPolarHBondContact O-CA 3.47Å; S196-D199 WeakPolarHBondContact O-CB 3.39Å; S196-D199 PolarHBondContact O-N 2.66Å; S196-D199 PolarHBondContact OG-N 2.91Å; S196-D199 PolarHBondContact OG-OD2 2.94Å; S196-V200 PolarHBondContact O-N 2.98Å
197Q74.4Confident66Low166 Ų166104.2 Ų104.278%0.77654%0.541SS*.Hα-helixtrans-56.1-35.5178.3-73.4-170.4-6.800112.1V200 E201Q197-V200 PolarHBondContact O-N 3.48Å; Q197-E201 WeakPolarHBondContact O-CG 3.46Å; Q197-E201 PolarHBondContact O-N 3.26Å
198A76.6Confident67.9Low65 Ų65101.7 Ų101.754%0.53754%0.538SS..Hα-helixtrans-64-39.4173.600000112.9S196 V200 E201 A202S196-A198 PolarHBondContact O-N 3.3Å; S196-A198 VanDerWaalsContact O-N 3.16Å; A198-V200 VanDerWaalsContact C-N 3.35Å; A198-E201 PolarHBondContact O-N 2.99Å; A198-A202 WeakPolarHBondContact O-CB 3.08Å; A198-A202 PolarHBondContact O-N 3.42Å
199D76.1Confident69.9Low26 Ų26101.8 Ų101.814%0.13953%0.532CS..Hα-helixtrans-65.3-40.7175.7-64.7-45.9000111.1P195 S196 E201 A202 I203 I228P195-D199 HydrophobicContact CB-CB 3.76Å; S196-D199 WeakPolarHBondContact CB-OD2 3.46Å; S196-D199 PolarHBondContact N-OD2 3.38Å; S196-D199 WeakPolarHBondContact O-CA 3.47Å; S196-D199 WeakPolarHBondContact O-CB 3.39Å; S196-D199 PolarHBondContact O-N 2.66Å; S196-D199 PolarHBondContact OG-N 2.91Å; S196-D199 PolarHBondContact OG-OD2 2.94Å; D199-E201 VanDerWaalsContact C-N 3.33Å; D199-E201 PolarHBondContact O-N 3.02Å; D199-A202 PolarHBondContact O-N 3.08Å; D199-I203 WeakPolarHBondContact O-CB 3.14Å; D199-I203 WeakPolarHBondContact O-CD1 3.29Å; D199-I203 WeakPolarHBondContact O-CG1 3.5Å; D199-I203 PolarHBondContact O-N 2.93Å; D199-I228 HydrophobicContact CB-CD1 3.84Å; D199-I228 HydrophobicContact CB-CG2 4.13Å
200V78.6Confident72.2Confident54 Ų5496.2 Ų96.233%0.32751%0.51SS..Hα-helixtrans-64.8-38.8177.6176.50000111.2P195 S196 Q197 A198 K204P195-V200 HydrophobicContact CB-CG2 4.25Å; P195-V200 HydrophobicContact CG-CG2 4.05Å; S196-V200 PolarHBondContact O-N 2.98Å; Q197-V200 PolarHBondContact O-N 3.48Å; A198-V200 VanDerWaalsContact C-N 3.35Å; V200-K204 HydrophobicContact CG1-CD 4.27Å; V200-K204 WeakPolarHBondContact O-CB 3.48Å; V200-K204 VanDerWaalsContact O-CG 3.29Å; V200-K204 WeakPolarHBondContact O-CG 3.38Å; V200-K204 PolarHBondContact O-N 3.38Å
201E80.1Confident74.2Confident116 Ų11693.6 Ų93.654%0.54251%0.511SS..Hα-helixtrans-67.9-42.5175.1-74.7174.6-173.100112.4Q197 A198 D199 I203 K204 N205Q197-E201 WeakPolarHBondContact O-CG 3.46Å; Q197-E201 PolarHBondContact O-N 3.26Å; A198-E201 PolarHBondContact O-N 2.99Å; D199-E201 VanDerWaalsContact C-N 3.33Å; D199-E201 PolarHBondContact O-N 3.02Å; E201-I203 VanDerWaalsContact C-N 3.3Å; E201-I203 PolarHBondContact O-N 2.99Å; E201-K204 PolarHBondContact O-N 3Å; E201-N205 WeakPolarHBondContact O-CB 3.47Å; E201-N205 VanDerWaalsContact O-CG 3.22Å; E201-N205 PolarHBondContact O-N 2.87Å; E201-N205 PolarHBondContact O-ND2 3.24Å
202A81.4Confident76.5Confident34 Ų3485.7 Ų85.728%0.28149%0.49SS..Hα-helixtrans-60.1-41.9175.200000111.7A198 D199 N205 A206A198-A202 WeakPolarHBondContact O-CB 3.08Å; A198-A202 PolarHBondContact O-N 3.42Å; D199-A202 PolarHBondContact O-N 3.08Å; A202-N205 PolarHBondContact O-N 3.37Å; A202-A206 VanDerWaalsContact O-CB 3.32Å; A202-A206 WeakPolarHBondContact O-CB 3.41Å; A202-A206 PolarHBondContact O-N 2.92Å
203I80.2Confident78.1Confident28 Ų2882 Ų8214%0.14449%0.486CS..Hα-helixtrans-64.1-46176.1-66.7166.1000110.9D199 E201 N205 A206 I207 L223 I228D199-I203 WeakPolarHBondContact O-CB 3.14Å; D199-I203 WeakPolarHBondContact O-CD1 3.29Å; D199-I203 WeakPolarHBondContact O-CG1 3.5Å; D199-I203 PolarHBondContact O-N 2.93Å; E201-I203 VanDerWaalsContact C-N 3.3Å; E201-I203 PolarHBondContact O-N 2.99Å; I203-N205 PolarHBondContact O-N 2.92Å; I203-A206 PolarHBondContact O-N 3.34Å; I203-I207 HydrophobicContact CG2-CD1 3.82Å; I203-I207 VanDerWaalsContact O-CG1 3.3Å; I203-I207 WeakPolarHBondContact O-CG1 3.48Å; I203-I207 PolarHBondContact O-N 3.34Å; I203-L223 HydrophobicContact CD1-CD2 3.61Å; I203-L223 HydrophobicContact CG1-CD2 3.82Å; I203-L223 HydrophobicContact CG2-CD1 3.79Å; I203-L223 HydrophobicContact CG2-CD2 4.21Å; I203-I228 HydrophobicContact CD1-CG2 4.41Å; I203-I228 HydrophobicContact CG1-CG2 4.22Å
204K82.1Confident79.4Confident137 Ų13779 Ų7960%0.59647%0.474SS*.Hα-helixtrans-61.4-44.4178.1-77175.3179.2-178.70111.9V200 E201 I207 S208V200-K204 HydrophobicContact CG1-CD 4.27Å; V200-K204 WeakPolarHBondContact O-CB 3.48Å; V200-K204 VanDerWaalsContact O-CG 3.29Å; V200-K204 WeakPolarHBondContact O-CG 3.38Å; V200-K204 PolarHBondContact O-N 3.38Å; E201-K204 PolarHBondContact O-N 3Å; K204-I207 PolarHBondContact O-N 3.26Å; K204-S208 WeakPolarHBondContact O-CB 3.3Å; K204-S208 PolarHBondContact O-N 3.32Å; K204-S208 PolarHBondContact O-OG 3.41Å
205N83.5Confident80.4Confident93 Ų9379.4 Ų79.450%0.49746%0.462SS..Hα-helixtrans-67-37.9178.9-70-16000112.1E201 A202 I203 S208 N209E201-N205 WeakPolarHBondContact O-CB 3.47Å; E201-N205 VanDerWaalsContact O-CG 3.22Å; E201-N205 PolarHBondContact O-N 2.87Å; E201-N205 PolarHBondContact O-ND2 3.24Å; A202-N205 PolarHBondContact O-N 3.37Å; I203-N205 PolarHBondContact O-N 2.92Å; N205-S208 WeakPolarHBondContact CA-OG 3.32Å; N205-S208 PolarHBondContact O-N 3.49Å; N205-S208 PolarHBondContact O-OG 3.47Å; N205-N209 WeakPolarHBondContact O-CB 3.33Å; N205-N209 PolarHBondContact O-N 3.38Å; N205-N209 VanDerWaalsContact O-N 3.08Å; N205-N209 PolarHBondContact O-ND2 3.47Å; N205-N209 VanDerWaalsContact O-ND2 3.15Å
206A81.3Confident80.9Confident25 Ų2578.6 Ų78.621%0.20746%0.455CS..Hα-helixtrans-65.6-41.117600000111.7A202 I203 A210 L219 P229A202-A206 VanDerWaalsContact O-CB 3.32Å; A202-A206 WeakPolarHBondContact O-CB 3.41Å; A202-A206 PolarHBondContact O-N 2.92Å; I203-A206 PolarHBondContact O-N 3.34Å; A206-A210 PolarHBondContact O-N 3.03Å; A206-L219 HydrophobicContact CB-CD1 4.16Å; A206-L219 HydrophobicContact CB-CD2 4.1Å; A206-L219 WeakPolarHBondContact O-CD1 3.37Å; A206-P229 HydrophobicContact CB-CB 4Å; A206-P229 HydrophobicContact CB-CG 4.16Å
207I80.9Confident81.2Confident82 Ų8282 Ų8242%0.42147%0.465SS..Hα-helixtrans-68-41.6176.3-65.7167.5000110.9I203 K204 N209 A210 L219I203-I207 HydrophobicContact CG2-CD1 3.82Å; I203-I207 VanDerWaalsContact O-CG1 3.3Å; I203-I207 WeakPolarHBondContact O-CG1 3.48Å; I203-I207 PolarHBondContact O-N 3.34Å; K204-I207 PolarHBondContact O-N 3.26Å; I207-N209 VanDerWaalsContact C-N 3.31Å; I207-N209 PolarHBondContact O-N 3.15Å; I207-A210 PolarHBondContact O-N 3.08Å; I207-L219 HydrophobicContact CG1-CD1 4.47Å
208S82.8Confident81.6Confident81 Ų8180 Ų8057%0.56645%0.45SS*.Hα-helixtrans-68.5-29.7-178.9660000113.4K204 N205K204-S208 WeakPolarHBondContact O-CB 3.3Å; K204-S208 PolarHBondContact O-N 3.32Å; K204-S208 PolarHBondContact O-OG 3.41Å; N205-S208 WeakPolarHBondContact CA-OG 3.32Å; N205-S208 PolarHBondContact O-N 3.49Å; N205-S208 PolarHBondContact O-OG 3.47Å
209N82.5Confident81.9Confident124 Ų12477.2 Ų77.266%0.66343%0.426SS*.THydrogen-bonded Turntrans-89.8-1.9-179.5-66.8-22.6000113.3N205 I207 T211N205-N209 WeakPolarHBondContact O-CB 3.33Å; N205-N209 PolarHBondContact O-N 3.38Å; N205-N209 VanDerWaalsContact O-N 3.08Å; N205-N209 PolarHBondContact O-ND2 3.47Å; N205-N209 VanDerWaalsContact O-ND2 3.15Å; I207-N209 VanDerWaalsContact C-N 3.31Å; I207-N209 PolarHBondContact O-N 3.15Å; N209-T211 PolarHBondContact O-N 3Å
210A84.2Confident82.1Confident24 Ų2482.1 Ų82.120%0.19845%0.446CS..  trans-70.8118.3179.100000110.7A206 I207 E215 V216 L219A206-A210 PolarHBondContact O-N 3.03Å; I207-A210 PolarHBondContact O-N 3.08Å; A210-E215 HydrophobicContact CB-CB 4.25Å; A210-E215 HydrophobicContact CB-CG 3.99Å; A210-V216 HydrophobicContact CB-CG2 3.65Å; A210-L219 HydrophobicContact CB-CD1 4.26Å
211T84.4Confident82.2Confident145 Ų14581.1 Ų81.189%0.8945%0.447SS*.  trans-90.8-4.3-175.753.20000113.9N209N209-T211 PolarHBondContact O-N 3Å
212S89.4Confident82.2Confident57 Ų5777.6 Ų77.640%0.39943%0.431SS..SBendtrans-142.9152.7-179.475.50000112.5A214 E215 V216S212-A214 VanDerWaalsContact C-N 3.26Å; S212-A214 PolarHBondContact O-N 2.91Å; S212-E215 PolarHBondContact O-N 3.07Å; S212-E215 VanDerWaalsContact O-N 3.13Å; S212-E215 WeakPolarHBondContact OG-CB 3.31Å; S212-E215 PolarHBondContact OG-N 3.14Å; S212-V216 PolarHBondContact O-N 3.43Å
213L81.4Confident82.1Confident143 Ų14379.1 Ų79.175%0.74943%0.434SS*.Hα-helixtrans-60.9-35.7176.5-119.8142.1000112.1E215 V216 E217L213-E215 VanDerWaalsContact C-N 3.33Å; L213-E215 PolarHBondContact O-N 3.47Å; L213-V216 PolarHBondContact O-N 3.47Å; L213-E217 PolarHBondContact O-N 3.45Å
214A81.6Confident82Confident67 Ų6785 Ų8555%0.55446%0.461SS*.Hα-helixtrans-63.5-37.3175.100000112.4S212 E217 R218S212-A214 VanDerWaalsContact C-N 3.26Å; S212-A214 PolarHBondContact O-N 2.91Å; A214-E217 PolarHBondContact O-N 3.39Å; A214-R218 WeakPolarHBondContact O-CB 3.37Å; A214-R218 PolarHBondContact O-N 3.02Å
215E80.9Confident81.7Confident62 Ų6282.1 Ų82.129%0.2946%0.462SS..Hα-helixtrans-71-35.7178-174.159.8-168.100111.9A210 S212 L213 R218 L219A210-E215 HydrophobicContact CB-CB 4.25Å; A210-E215 HydrophobicContact CB-CG 3.99Å; S212-E215 PolarHBondContact O-N 3.07Å; S212-E215 VanDerWaalsContact O-N 3.13Å; S212-E215 WeakPolarHBondContact OG-CB 3.31Å; S212-E215 PolarHBondContact OG-N 3.14Å; L213-E215 VanDerWaalsContact C-N 3.33Å; L213-E215 PolarHBondContact O-N 3.47Å; E215-R218 PolarHBondContact O-N 3.22Å; E215-R218 IonicContact OE1-CZ 3.07Å; E215-R218 IonicContact OE1-NE 3.07Å; E215-R218 PolarHBondContact OE1-NE 3.36Å; E215-R218 IonicContact OE1-NH2 2.73Å; E215-R218 PolarHBondContact OE1-NH2 3.42Å; E215-R218 IonicContact OE2-CZ 3.54Å; E215-R218 IonicContact OE2-NE 2.74Å; E215-R218 PolarHBondContact OE2-NE 3.37Å; E215-R218 IonicContact OE2-NH2 2.63Å; E215-L219 VanDerWaalsContact O-CG 3.32Å; E215-L219 WeakPolarHBondContact O-CG 3.46Å; E215-L219 PolarHBondContact O-N 3.3Å
216V80.8Confident81.2Confident62 Ų6280.7 Ų80.738%0.37647%0.47SS..Hα-helixtrans-65.5-41.7173.5177.80000111.3A210 S212 L213 L219 K220A210-V216 HydrophobicContact CB-CG2 3.65Å; S212-V216 PolarHBondContact O-N 3.43Å; L213-V216 PolarHBondContact O-N 3.47Å; V216-L219 PolarHBondContact O-N 3.25Å; V216-K220 WeakPolarHBondContact O-CB 3.39Å; V216-K220 PolarHBondContact O-N 2.96Å
217E81.9Confident80.9Confident130 Ų13084.5 Ų84.561%0.60748%0.483SS*.Hα-helixtrans-64.9-39.5175.3-76.9-176.5167.600112.3L213 A214 K220 G221L213-E217 PolarHBondContact O-N 3.45Å; A214-E217 PolarHBondContact O-N 3.39Å; E217-K220 WeakPolarHBondContact O-CB 3.32Å; E217-K220 PolarHBondContact O-N 3.3Å; E217-G221 PolarHBondContact O-N 3.33Å
218R83.6Confident80.7Confident125 Ų12582.3 Ų82.347%0.47247%0.472SS..Hα-helixtrans-60.4-48.2173.8-166.2-172.77578.34.8111.5A214 E215 K220 G221 M222A214-R218 WeakPolarHBondContact O-CB 3.37Å; A214-R218 PolarHBondContact O-N 3.02Å; E215-R218 PolarHBondContact O-N 3.22Å; E215-R218 IonicContact OE1-CZ 3.07Å; E215-R218 IonicContact OE1-NE 3.07Å; E215-R218 PolarHBondContact OE1-NE 3.36Å; E215-R218 IonicContact OE1-NH2 2.73Å; E215-R218 PolarHBondContact OE1-NH2 3.42Å; E215-R218 IonicContact OE2-CZ 3.54Å; E215-R218 IonicContact OE2-NE 2.74Å; E215-R218 PolarHBondContact OE2-NE 3.37Å; E215-R218 IonicContact OE2-NH2 2.63Å; R218-K220 VanDerWaalsContact C-N 3.33Å; R218-K220 PolarHBondContact O-N 3.02Å; R218-G221 PolarHBondContact O-N 2.93Å; R218-M222 PolarHBondContact NH1-SD 3.31Å; R218-M222 WeakPolarHBondContact O-CG 3.43Å; R218-M222 PolarHBondContact O-N 3.12Å
219L81.9Confident79.9Confident6 Ų679.5 Ų79.53%0.03145%0.452CS..Hα-helixtrans-62.1-39.8176.6-71.7170.6000111.9A206 I207 A210 E215 V216 M222 L223 P229A206-L219 HydrophobicContact CB-CD1 4.16Å; A206-L219 HydrophobicContact CB-CD2 4.1Å; A206-L219 WeakPolarHBondContact O-CD1 3.37Å; I207-L219 HydrophobicContact CG1-CD1 4.47Å; A210-L219 HydrophobicContact CB-CD1 4.26Å; E215-L219 VanDerWaalsContact O-CG 3.32Å; E215-L219 WeakPolarHBondContact O-CG 3.46Å; E215-L219 PolarHBondContact O-N 3.3Å; V216-L219 PolarHBondContact O-N 3.25Å; L219-M222 PolarHBondContact O-N 2.88Å; L219-L223 VanDerWaalsContact O-CG 3.31Å; L219-L223 WeakPolarHBondContact O-CG 3.4Å; L219-L223 PolarHBondContact O-N 2.92Å; L219-P229 HydrophobicContact CD2-CB 4.32Å; L219-P229 HydrophobicContact CD2-CG 3.74Å
220K79.9Confident79.2Confident130 Ų13077.8 Ų77.857%0.56546%0.464SS*.Hα-helixtrans-62.1-43.6174.3-175-178.4177.3-175.10111.7V216 E217 R218 L223 Q224V216-K220 WeakPolarHBondContact O-CB 3.39Å; V216-K220 PolarHBondContact O-N 2.96Å; E217-K220 WeakPolarHBondContact O-CB 3.32Å; E217-K220 PolarHBondContact O-N 3.3Å; R218-K220 VanDerWaalsContact C-N 3.33Å; R218-K220 PolarHBondContact O-N 3.02Å; K220-L223 PolarHBondContact O-N 3.45Å; K220-Q224 WeakPolarHBondContact O-CG 3.47Å; K220-Q224 PolarHBondContact O-N 2.71Å
221G81.1Confident78.3Confident33 Ų3384.9 Ų84.934%0.3449%0.485SS..Hα-helixtrans-61.8-43.1174.600000112.6E217 R218 L223 Q224 A225E217-G221 PolarHBondContact O-N 3.33Å; R218-G221 PolarHBondContact O-N 2.93Å; G221-L223 PolarHBondContact O-N 3.4Å; G221-Q224 PolarHBondContact O-N 3.22Å; G221-A225 WeakPolarHBondContact O-CB 3.49Å; G221-A225 PolarHBondContact O-N 2.87Å
222M80.1Confident76.4Confident41 Ų4185 Ų8520%0.20248%0.481CS..Hα-helixtrans-61.1-42.3175.9-71.4-178.772.900112.6R218 L219 A225 G226 Q227R218-M222 PolarHBondContact NH1-SD 3.31Å; R218-M222 WeakPolarHBondContact O-CG 3.43Å; R218-M222 PolarHBondContact O-N 3.12Å; L219-M222 PolarHBondContact O-N 2.88Å; M222-A225 CarbonylContact O-C 3.5Å; M222-A225 PolarHBondContact O-N 3.23Å; M222-G226 PolarHBondContact O-N 3.43Å; M222-G226 VanDerWaalsContact O-N 3.14Å; M222-Q227 HydrophobicContact CB-CB 4.43Å; M222-Q227 HydrophobicContact CE-CB 4.31Å; M222-Q227 PolarHBondContact O-N 3.22Å
223L80.3Confident74.5Confident66 Ų6689.3 Ų89.335%0.34650%0.498SS..Hα-helixtrans-67.8-37.6177.6-68.4173.5000112.4I203 L219 K220 G221 A225 G226I203-L223 HydrophobicContact CD1-CD2 3.61Å; I203-L223 HydrophobicContact CG1-CD2 3.82Å; I203-L223 HydrophobicContact CG2-CD1 3.79Å; I203-L223 HydrophobicContact CG2-CD2 4.21Å; L219-L223 VanDerWaalsContact O-CG 3.31Å; L219-L223 WeakPolarHBondContact O-CG 3.4Å; L219-L223 PolarHBondContact O-N 2.92Å; K220-L223 PolarHBondContact O-N 3.45Å; G221-L223 PolarHBondContact O-N 3.4Å; L223-A225 VanDerWaalsContact C-N 3.27Å; L223-A225 PolarHBondContact O-N 2.96Å; L223-G226 PolarHBondContact O-N 3.04Å; L223-G226 VanDerWaalsContact O-N 3.07Å
224Q77.4Confident72.3Confident153 Ų15393.3 Ų93.372%0.71550%0.504SS*.Hα-helixtrans-64.6-33.3172.8-74.9-180-15.600112K220 G221 G226K220-Q224 WeakPolarHBondContact O-CG 3.47Å; K220-Q224 PolarHBondContact O-N 2.71Å; G221-Q224 PolarHBondContact O-N 3.22Å; Q224-G226 PolarHBondContact O-N 3.33Å
225A75.9Confident70Confident75 Ų7599.7 Ų99.762%0.6252%0.522SS*.THydrogen-bonded Turntrans-79.50.4172.900000113.9G221 M222 L223 Q227G221-A225 WeakPolarHBondContact O-CB 3.49Å; G221-A225 PolarHBondContact O-N 2.87Å; M222-A225 CarbonylContact O-C 3.5Å; M222-A225 PolarHBondContact O-N 3.23Å; L223-A225 VanDerWaalsContact C-N 3.27Å; L223-A225 PolarHBondContact O-N 2.96Å; A225-Q227 VanDerWaalsContact C-N 3.35Å
226G72.1Confident67.6Low64 Ų64100.1 Ų100.166%0.6654%0.543SS*.THydrogen-bonded Turntrans76.116178.300000115.1M222 L223 Q224M222-G226 PolarHBondContact O-N 3.43Å; M222-G226 VanDerWaalsContact O-N 3.14Å; L223-G226 PolarHBondContact O-N 3.04Å; L223-G226 VanDerWaalsContact O-N 3.07Å; Q224-G226 PolarHBondContact O-N 3.33Å
227Q76Confident65.1Low104 Ų104105.5 Ų105.549%0.48657%0.569SS.*PPolyproline II helixtrans-94133.7176-69.3-178.7-9.300111M222 A225M222-Q227 HydrophobicContact CB-CB 4.43Å; M222-Q227 HydrophobicContact CE-CB 4.31Å; M222-Q227 PolarHBondContact O-N 3.22Å; A225-Q227 VanDerWaalsContact C-N 3.35Å
228I77.2Confident62.7Low36 Ų36108.1 Ų108.119%0.18558%0.579CS.*PPolyproline II helixtrans-100.6124.3179.4-56.7175.8000108.4D199 I203 G230 R231D199-I228 HydrophobicContact CB-CD1 3.84Å; D199-I228 HydrophobicContact CB-CG2 4.13Å; I203-I228 HydrophobicContact CD1-CG2 4.41Å; I203-I228 HydrophobicContact CG1-CG2 4.22Å; I228-G230 PolarHBondContact O-N 2.96Å; I228-R231 HydrophobicContact CB-CB 4.49Å; I228-R231 PolarHBondContact O-N 3.39Å
229P65.9Low60.2Low22 Ų22108 Ų10814%0.14359%0.594CS.*THydrogen-bonded Turntrans-54.9127.9177.2-24.834.1000111.7A206 L219A206-P229 HydrophobicContact CB-CB 4Å; A206-P229 HydrophobicContact CB-CG 4.16Å; L219-P229 HydrophobicContact CD2-CB 4.32Å; L219-P229 HydrophobicContact CD2-CG 3.74Å
230G66.2Low57.9Low89 Ų89112.7 Ų112.792%0.91863%0.627SS**THydrogen-bonded Turntrans90.31.8178.300000116.1I228I228-G230 PolarHBondContact O-N 2.96Å
231R65.4Low55.8Low172 Ų172113.5 Ų113.565%0.64964%0.638SS**  trans-97.892.3173.7-163.8173.6-175.1160.7-0.4110.6I228 L233I228-R231 HydrophobicContact CB-CB 4.49Å; I228-R231 PolarHBondContact O-N 3.39Å; R231-L233 PolarHBondContact O-N 3.38Å
232D45.4Very low53.5Low149 Ų149120.8 Ų120.880%0.79767%0.665SS**  trans-64.8122.7171.2-88.6-25.5000110.6R234D232-R234 PolarHBondContact O-N 3.46Å
233L48.5Very low51.1Low146 Ų146127.7 Ų127.776%0.76470%0.697SS**  trans-67.894.9171-78.8158.7000109.5R231R231-L233 PolarHBondContact O-N 3.38Å
234R36.9Very low48.7Very low227 Ų227133.8 Ų133.886%0.85772%0.724SS**  trans-112.7122.8156.6-73.9-170.7-173.8-176.33.6110D232D232-R234 PolarHBondContact O-N 3.46Å
235Q32.5Very low46.5Very low201 Ų201131.6 Ų131.694%0.93972%0.721SS**SBendtrans92.490.1170.8-62.6177.6-600117.5
236G29.8Very low44.2Very low72 Ų72136.2 Ų136.274%0.74273%0.734SS**  122106.4121.800000117.2
237L29Very low42.1Very low174 Ų174138.6 Ų138.691%0.91174%0.741SS**  trans84.685.7157.4-53.6166.5000117.2
238F30.8Very low40Very low185 Ų185138.3 Ų138.381%0.81176%0.756SS**  trans-91.9134.7145.2-74.1-77.9000108.9S240F238-S240 PolarHBondContact O-N 3.22Å
239P32.7Very low37.8Very low122 Ų122145.6 Ų145.679%0.79279%0.789SS**  trans-69.6123.1159.44.610.2000108.3N241P239-N241 PolarHBondContact O-N 3.13Å
240S33.3Very low36Very low105 Ų105150.6 Ų150.673%0.73482%0.819SS**  trans-62.6113.6167.748.40000109.6F238F238-S240 PolarHBondContact O-N 3.22Å
241N34.9Very low34.3Very low148 Ų148153.4 Ų153.479%0.79181%0.813SS**  trans16089.2141.5-83-1.7000110.6P239P239-N241 PolarHBondContact O-N 3.13Å
242M33.8Very low32.6Very low185 Ų185153.8 Ų153.891%0.91182%0.822SS**  trans179.496.5137.9-123.3173-86.300108.1
243E29Very low31.6Very low187 Ų187150 Ų15087%0.87482%0.818SS**  trans-179.9103.5143.3-104.3175.5-17200108.5
244E29.6Very low30.8Very low193 Ų193149.1 Ų149.190%0.90282%0.818SS**  trans-13288.2141.6-142.7175.4-163.100107.4
245V32.4Very low30.4Very low107 Ų107145.2 Ų145.265%0.64881%0.814SS**  trans-8119.3147-114.70000113.8S247V245-S247 PolarHBondContact O-N 3.45Å
246L27.5Very low30.3Very low173 Ų173140.3 Ų140.391%0.90680%0.802SS**  30.978.884.6-73175.4000113.3
247S28.4Very low30.3Very low113 Ų113144.3 Ų144.379%0.7981%0.806SS**  trans-160146.814660.90000110.8V245V245-S247 PolarHBondContact O-N 3.45Å
248A30.7Very low30.4Very low98 Ų98146 Ų14681%0.8181%0.806SS**  trans88.876.4173.100000117.1
249E30.9Very low30.3Very low189 Ų189142.5 Ų142.588%0.88380%0.804SS**  trans-59.6134.1133.5-73.4175.7137.500108.6
250V29.1Very low30.1Very low127 Ų127146.2 Ų146.277%0.7781%0.808SS**  167.2125.1128.31610000109.1
251L29.9Very low30.6Very low149 Ų149147.1 Ų147.178%0.7881%0.811SS**  trans98.4116158.4-75.3157.5000120.9
252E29.4Very low30.4Very low180 Ų180144.7 Ų144.784%0.84181%0.812SS**  trans85.887.4149.1-67.5-177.4173.100118.6
253G25.6Very low30.3Very low70 Ų70146.8 Ų146.872%0.72281%0.81SS**  trans-68.4156.4144.900000111.4
254V31.1Very low31.2Very low127 Ų127144 Ų14477%0.7781%0.808SS**  trans179.9130137.6155.60000108.8
255N28.8Very low31.3Very low144 Ų144141.3 Ų141.377%0.7780%0.8SS**  trans73.8107.4159.7-64.2-18.6000119.5
256S30.1Very low31.3Very low99 Ų99144.7 Ų144.769%0.69281%0.809SS**  77105.258.3-162.30000114.8
257L29.9Very low31.5Very low156 Ų156142.1 Ų142.182%0.81780%0.8SS**  trans34.5121.7134.5-68.3155.8000119.9
258K30.7Very low31.5Very low209 Ų209141.5 Ų141.591%0.90980%0.795SS**  trans158143.2139.4-87.6159.7-173.5-176.30106.7
259S29.2Very low31.7Very low111 Ų111142.7 Ų142.778%0.77679%0.793SS**  cis-177.914315.540.50000108
260K28.6Very low31.7Very low201 Ų201138.3 Ų138.387%0.87478%0.783SS**  trans-74.1172.3149.1-84.7-177.4177.4176.60108.5
261P43.9Very low32Very low123 Ų123141.6 Ų141.680%0.79979%0.79SS**  cis-144.9-176.418.237.2-14.6000116.1
262A28.9Very low32.2Very low98 Ų98141.8 Ų141.881%0.8179%0.787SS**  142.3133.1128.100000115
263R33.2Very low32.2Very low228 Ų228141.1 Ų141.186%0.8678%0.781SS**  trans-94.1167.6152.5-56.4-176.1-172.9-150.10.4108.2
264P47.1Very low32.4Very low129 Ų129144.5 Ų144.584%0.83878%0.783SS**  -148.2-169.482.233.3-9.9000115.5
265N32.2Very low32.4Very low136 Ų136146.4 Ų146.473%0.72779%0.785SS**  trans-82.3177.5-155.5-70.4-25.3000118.6
266E32.5Very low32.6Very low179 Ų179148.7 Ų148.784%0.83679%0.788SS**  trans94145.1149.1-59.6-159.7166.900118
267V31.3Very low32.6Very low119 Ų119149.1 Ų149.172%0.72179%0.791SS**  cis-171.8157.6-5.2137.40000107
268S29.2Very low32.7Very low100 Ų100148.4 Ų148.470%0.69979%0.793SS**  trans75.1136.6160-157.70000117.5
269T33.6Very low32.7Very low123 Ų123142.8 Ų142.876%0.75578%0.78SS**  cis-163157.242.9-41.80000111.4
270S31.2Very low32.8Very low96 Ų96144.2 Ų144.267%0.67178%0.779SS**  trans-60.3154.5-175.447.70000121.2
271Q35.8Very low32.8Very low197 Ų197141 Ų14192%0.92177%0.77SS**  trans-177.3103.6135.3-99.6172.314.300106.3
272Q33.1Very low32.2Very low152 Ų152141.4 Ų141.471%0.7178%0.775SS**  83.2128.757.7-146.5172.6-0.900115.9
273F29.8Very low32.3Very low166 Ų166143.2 Ų143.273%0.72877%0.77SS**  trans83.2138.9168.1-63.2-76.5000118.5
274D29.7Very low32.3Very low141 Ų141140.2 Ų140.275%0.75477%0.772SS**  cis-167.7152.9-24.2-149.1-18.6000106.8
275M32.5Very low31.8Very low167 Ų167142.2 Ų142.282%0.82377%0.77SS**  trans-85.4146.2168-80.2171.795.200109.6
276K32Very low31.9Very low192 Ų192142.8 Ų142.884%0.83578%0.778SS**  175.9135.2124.7-98.5162.3-175.5177.30113.1
277S31.4Very low32Very low108 Ų108143.3 Ų143.376%0.75578%0.781SS**  trans61.9132.3140.3-54.20000117.1
278V31.8Very low32.1Very low141 Ų141142.9 Ų142.986%0.85578%0.783SS**  -158.7139.180.2161.40000110.5
279S29.1Very low32.4Very low91 Ų91149.4 Ų149.464%0.63679%0.792SS**  trans-79.5174.9169.544.70000113.9
280L31.5Very low32.3Very low142 Ų142150.3 Ų150.374%0.74380%0.797SS**  trans97.9107.1169-77.7103.1000115.3
281L29.8Very low32.5Very low134 Ų134150.9 Ų150.970%0.70280%0.801SS**  86.5119.674.1-88.6170.8000111.3
282C30.4Very low32.3Very low131 Ų131146.2 Ų146.289%0.88579%0.79SS**  -170120126.1-87.60000109.3
283D31.3Very low32.2Very low135 Ų135148.5 Ų148.572%0.72280%0.798SS**  trans-65.2160158.7-57.9-61.8000110.5
284D33.4Very low32.4Very low166 Ų166146.8 Ų146.889%0.88880%0.801SS**  -162.5136.6129.4-117.6-21.4000113.2
285E35.3Very low32.6Very low170 Ų170148.2 Ų148.279%0.79480%0.803SS**  trans-74.8157.7179.5-62.5-178.8123.200112.6
286T35.3Very low32.8Very low149 Ų149144.7 Ų144.791%0.91480%0.795SS**  trans-144.398.7147.937.40000110.9
287E35Very low32.9Very low189 Ų189143.2 Ų143.288%0.88380%0.796SS**  trans-82.2135.8150.5-79.1-164.9146.800109.5
288S33.2Very low33.9Very low110 Ų110143.2 Ų143.277%0.76979%0.794SS**  trans-179.2125.913358.90000111.4
289R35.3Very low34.1Very low238 Ų238142.7 Ų142.790%0.89880%0.796SS**  156.389.9119.9-82.9177.999.9155.33.4110.1
290V32Very low34.3Very low142 Ų142141.6 Ų141.686%0.86180%0.8SS**  trans-68.7127.8146.7179.60000107.1
291S34.1Very low34.7Very low107 Ų107143.9 Ų143.975%0.74881%0.809SS**  trans-120.1101.6157.661.70000108.4
292S33Very low35.2Very low99 Ų99146.9 Ų146.969%0.69282%0.819SS**  trans-54.6127.7155.947.10000110.3
293F29.7Very low35.8Very low200 Ų200149.9 Ų149.988%0.87782%0.82SS**  trans-111.4109.9159.6-129.6-95.2000106.7
294V34.3Very low36.2Very low130 Ų130150.5 Ų150.579%0.78882%0.824SS**  trans-131.8116.2169.5-178.40000105.8
295E35.1Very low36.4Very low172 Ų172149.4 Ų149.480%0.80482%0.818SS**  trans-160.599.4152.8-104.8173.7-179.600103.7
296S36.3Very low36.3Very low93 Ų93145 Ų14565%0.6582%0.818SS**  45.698.985.862.60000114.1
297D34.4Very low36.4Very low160 Ų160142.5 Ų142.586%0.85681%0.813SS**  -162.8147110-100.8-16.3000113.5
298P51.5Low36.5Very low109 Ų109141.7 Ų141.771%0.70881%0.809SS**  trans-104.3174.4178.740.1-31.9000113.1
299S35.3Very low36.9Very low129 Ų129143 Ų14390%0.90281%0.811SS**  trans109.5138.9155.178.60000119.5
300G33.8Very low37.1Very low69 Ų69138.8 Ų138.871%0.71180%0.802SS**  trans107.490.7178.300000111.6
301M39.5Very low37.6Very low190 Ų190140.5 Ų140.594%0.93680%0.803SS**  cis45.581.449.5-81.6-170179.700113
302E40.9Very low37.8Very low196 Ų196143.1 Ų143.192%0.91680%0.803SS**  trans-137.4103.1140.2-75.9-168.6159.100108.1
303E42.6Very low38.1Very low195 Ų195147.3 Ų147.391%0.91181%0.812SS**  trans-68.7127.9146-68.4176.2151.400106.6
304D40.8Very low38.4Very low148 Ų148140.7 Ų140.779%0.79180%0.799SS**  trans-147.9149.4145.5-149.73.2000111.6
305N36.4Very low38.6Very low143 Ų143146.1 Ų146.177%0.76581%0.808SS**  trans-77.2155.9-154.5-67-75.4000115
306G33.3Very low38.8Very low78 Ų78141.4 Ų141.480%0.80481%0.805SS**  64.9100.3117.600000117.8
307A38.3Very low39Very low96 Ų96145.1 Ų145.179%0.79382%0.818SS**  trans-142.178.2144.100000108.8
308E37.1Very low39.3Very low172 Ų172141.2 Ų141.280%0.80482%0.815SS**  trans-63.1121.2158-166.7172.5-150.800107.6
309V42.3Very low38.9Very low136 Ų136143 Ų14382%0.82482%0.818SS**  trans-118.892.2167.9-171.70000107.4
310H39.3Very low39.3Very low150 Ų150142.9 Ų142.969%0.69481%0.807SS**  trans-88.7124.1160.7-118-63.9000108.3
311M41Very low39.5Very low178 Ų178146.2 Ų146.288%0.87781%0.808SS**  trans-154101148-73.2-161.4-177.500104.8
312E38.3Very low39.4Very low162 Ų162140.1 Ų140.176%0.75779%0.794SS**  40.7102.287.5-82.6-169.5176.900112.5
313E40.2Very low39.6Very low188 Ų188138.5 Ų138.588%0.87979%0.792SS**  94.7130.679.2-91.1-161.9-176.600112.5
314G35.7Very low39.6Very low60 Ų60138.1 Ų138.162%0.61979%0.79SS**  trans123.8130140.100000118.6
315Y38.4Very low39.7Very low244 Ų244135.4 Ų135.496%0.95779%0.788SS**  trans87.2124.6161.5-59.6-84.7000117.2
316G38.6Very low40.3Very low73 Ų73137.1 Ų137.175%0.75379%0.791SS**  cis1771656.300000111.6
317D41.9Very low41.1Very low171 Ų171140.8 Ų140.891%0.91479%0.793SS**  trans-50.5158.4-179.5-76.5-50.4000117
318G39.4Very low41.8Very low78 Ų78145.5 Ų145.580%0.80480%0.798SS**  trans-176.876.3165.300000114.5
319I44.4Very low42.5Very low148 Ų148144.8 Ų144.876%0.75980%0.8SS**  trans-72.2133.3165.8-58.2173.7000109.5
320N42Very low42.9Very low125 Ų125146.1 Ų146.167%0.66880%0.799SS**  166141120.5-111.9-15.9000115.5
321N39.3Very low43.4Very low140 Ų140146.8 Ų146.875%0.74980%0.803SS**  trans58131.6142.4-55.9-24.5000118.9
322G36.8Very low43.7Very low62 Ų62145.2 Ų145.264%0.63980%0.798SS**  cis110.111834.800000107.7
323D45.9Very low44.1Very low162 Ų162144.4 Ų144.487%0.86679%0.794SS**  trans174.6103.2159-85.5-20.6000106.1
324Q42.1Very low45.2Very low186 Ų186140.6 Ų140.687%0.86979%0.785SS**  52.4103.973.4-74-169.2-7.500113.5
325A43.7Very low46Very low91 Ų91145.4 Ų145.475%0.75279%0.791SS**  114151.4109.300000106.8
326E49Very low46.8Very low179 Ų179143.3 Ų143.384%0.83679%0.79SS**  cis-154134.232.5-65.9166.9157.500105.9
327D49Very low47.4Very low155 Ų155147 Ų14783%0.82979%0.793SS**  34.811592.5-74.5-21.7000115.4
328E54.2Low47.9Very low196 Ų196142.3 Ų142.392%0.91679%0.785SS**  trans-162.2100.7141.9-108.3177.4-156.800110.1
329D51.2Low48.5Very low156 Ų156148.3 Ų148.383%0.83482%0.815SS**  trans-67.6141.4154.4-74.7-49.9000109.9
330M50.9Low48.7Very low165 Ų165148.4 Ų148.481%0.81382%0.817SS**  trans-170106.9148.3-107.5-174.8-162.400108.5
331E49Very low49.1Very low164 Ų164149.6 Ų149.677%0.76683%0.825SS**  90.7103.989-82.1-172.5-171.600113.5
332D46.7Very low49.6Very low144 Ų144150.1 Ų150.177%0.7783%0.829SS**  50.4125.9122.2-76.4-17000123.8
333E48.1Very low50.4Low145 Ų145155.3 Ų155.368%0.67884%0.841SS**  trans75.3162.2137-67.3-81.5169.400119.4H335E333-H335 IonicContact OE2-CD2 2.73Å
334P63.8Low50.6Low108 Ų108154.9 Ų154.970%0.70184%0.839SS**  cis-130.8171.1-8.619.94.9000116.4
335H51.6Low51.2Low161 Ų161152.8 Ų152.875%0.74584%0.837SS**  trans-17.6138.7151-79.9-86.7000118.6E333E333-H335 IonicContact OE2-CD2 2.73Å
336E54.5Low51.7Low200 Ų200157.2 Ų157.294%0.93584%0.843SS**  trans-150.8142.6133.9-125.3178.4-166.700113.1
337N51.7Low51.9Low152 Ų152155.5 Ų155.581%0.81384%0.843SS**  trans-78.4148.3-174.7-79.3-49.7000113
338G53.5Low52.2Low71 Ų71155.6 Ų155.673%0.73285%0.845SS**  66.6113.2123.500000119.9
339S51Low52Low205 Ų205151.9 Ų151.9100%1.43484%0.838SS**  -160.50119.4-75.10000109.9

Retrieved 339 of 339 residues in 160.6 ms (Link to these results)

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