A0A077ZFD5_TRITR Loading...

General transcription factor IIH subunit 2

AlphaFold DB , UniProt , Accession A0A077ZFD5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 350 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
1M39.3Very low43.7Very low222 Ų222108.5 Ų108.5100%1.09461%0.609SS**  0-11.20-84.7-176.9-77.900113.4S4M1-S4 PolarHBondContact O-OG 2.99Å
2E38.9Very low43.8Very low170 Ų170107.7 Ų107.779%0.79460%0.602SS**THydrogen-bonded Turntrans-80.6-19.2177.3-70.2170.5148.300114.6S4E2-S4 PolarHBondContact O-N 3.14Å
3A39.6Very low44.3Very low73 Ų73111.2 Ų111.260%0.60361%0.607SS**Hα-helixtrans-71.9-8.3178.200000114.8N7A3-N7 WeakPolarHBondContact O-CB 3.11Å; A3-N7 PolarHBondContact O-ND2 3.04Å
4S52.6Low44.5Very low78 Ų78116.1 Ų116.155%0.54561%0.612SS.*Hα-helixtrans-90.3-27.7178.567.30000113.3M1 E2 A8M1-S4 PolarHBondContact O-OG 2.99Å; E2-S4 PolarHBondContact O-N 3.14Å; S4-A8 WeakPolarHBondContact O-CB 3.26Å; S4-A8 PolarHBondContact O-N 2.93Å
5V45.1Very low44.7Very low102 Ų102116.6 Ų116.662%0.61861%0.607SS**Hα-helixtrans-78.9-40.8-175.6-176.60000111.3A8 A9V5-A8 PolarHBondContact O-N 3.5Å; V5-A9 WeakPolarHBondContact O-CB 3.34Å; V5-A9 PolarHBondContact O-N 3.38Å
6I42.4Very low44.9Very low108 Ų108116.4 Ų116.455%0.55460%0.602SS**Hα-helixtrans-65.7-46.3174.8-64.7173.7000109.8A8 A9 H10I6-A8 VanDerWaalsContact C-N 3.34Å; I6-A8 PolarHBondContact O-N 3.41Å; I6-A9 PolarHBondContact O-N 2.91Å; I6-H10 PolarHBondContact O-CD2 3.03Å; I6-H10 PolarHBondContact O-N 2.74Å
7N42.8Very low44.9Very low105 Ų105114.6 Ų114.656%0.56159%0.593SS**Hα-helixtrans-60.6-42174.4-79.1-28000111.9A3 A9 H10 E11A3-N7 WeakPolarHBondContact O-CB 3.11Å; A3-N7 PolarHBondContact O-ND2 3.04Å; N7-A9 PolarHBondContact O-N 3.11Å; N7-H10 PolarHBondContact O-N 2.75Å; N7-E11 WeakPolarHBondContact O-CB 3.47Å; N7-E11 PolarHBondContact O-N 2.96Å
8A44Very low44.7Very low43 Ų43116.9 Ų116.936%0.35559%0.594SS.*Hα-helixtrans-65.4-35175.400000113.1S4 V5 I6 E11 N12S4-A8 WeakPolarHBondContact O-CB 3.26Å; S4-A8 PolarHBondContact O-N 2.93Å; V5-A8 PolarHBondContact O-N 3.5Å; I6-A8 VanDerWaalsContact C-N 3.34Å; I6-A8 PolarHBondContact O-N 3.41Å; A8-E11 PolarHBondContact O-N 3.41Å; A8-N12 VanDerWaalsContact O-CB 3.3Å; A8-N12 WeakPolarHBondContact O-CB 3.45Å; A8-N12 PolarHBondContact O-N 2.11Å
9A44.5Very low44.7Very low59 Ų59122.1 Ų122.149%0.48861%0.606SS.*Hα-helixtrans-68.5-43.8174.900000111.6V5 I6 N7 E11 N12 K13V5-A9 WeakPolarHBondContact O-CB 3.34Å; V5-A9 PolarHBondContact O-N 3.38Å; I6-A9 PolarHBondContact O-N 2.91Å; N7-A9 PolarHBondContact O-N 3.11Å; A9-E11 VanDerWaalsContact C-N 3.32Å; A9-E11 PolarHBondContact O-N 3.26Å; A9-N12 PolarHBondContact O-N 3.32Å; A9-K13 WeakPolarHBondContact O-CB 3.38Å; A9-K13 PolarHBondContact O-N 3.45Å
10H45.7Very low44.8Very low123 Ų123123.1 Ų123.157%0.56960%0.603SS**Hα-helixtrans-64.2-36.8173.2-80.7-81.8000112.2I6 N7 R14I6-H10 PolarHBondContact O-CD2 3.03Å; I6-H10 PolarHBondContact O-N 2.74Å; N7-H10 PolarHBondContact O-N 2.75Å; H10-R14 WeakPolarHBondContact O-CB 3.2Å; H10-R14 PolarHBondContact O-N 2.83Å
11E45.9Very low44.4Very low110 Ų110124.4 Ų124.451%0.51461%0.605SS.*Hα-helixtrans-75.3-35.5179.9-158163.3-14800112.3N7 A8 A9 R14 K15N7-E11 WeakPolarHBondContact O-CB 3.47Å; N7-E11 PolarHBondContact O-N 2.96Å; A8-E11 PolarHBondContact O-N 3.41Å; A9-E11 VanDerWaalsContact C-N 3.32Å; A9-E11 PolarHBondContact O-N 3.26Å; E11-R14 WeakPolarHBondContact O-CB 3.14Å; E11-R14 PolarHBondContact O-N 3.24Å; E11-K15 WeakPolarHBondContact O-CB 3.09Å; E11-K15 WeakPolarHBondContact O-CG 3.42Å; E11-K15 PolarHBondContact O-N 2.82Å
12N45.2Very low44.6Very low99 Ų99121.5 Ų121.553%0.52959%0.586SS.*Hα-helixtrans-68.8-40.5169.9-83.8-19000111.7A8 A9 R14 K15 E16A8-N12 VanDerWaalsContact O-CB 3.3Å; A8-N12 WeakPolarHBondContact O-CB 3.45Å; A8-N12 PolarHBondContact O-N 2.11Å; A9-N12 PolarHBondContact O-N 3.32Å; N12-R14 VanDerWaalsContact C-N 3.28Å; N12-R14 PolarHBondContact O-N 3.31Å; N12-K15 PolarHBondContact O-N 3.12Å; N12-K15 VanDerWaalsContact O-N 3.17Å; N12-E16 WeakPolarHBondContact O-CB 3.46Å; N12-E16 PolarHBondContact O-N 3.41Å
13K49.8Very low44.8Very low153 Ų153118.5 Ų118.567%0.66558%0.576SS**Hα-helixtrans-59.2-41.3172.2-143.9171.5-171.9176.60110.5A9 L17A9-K13 WeakPolarHBondContact O-CB 3.38Å; A9-K13 PolarHBondContact O-N 3.45Å; K13-L17 WeakPolarHBondContact O-CB 3.28Å; K13-L17 VanDerWaalsContact O-CD1 3.26Å; K13-L17 WeakPolarHBondContact O-CD1 3.28Å; K13-L17 VanDerWaalsContact O-CG 3.23Å; K13-L17 WeakPolarHBondContact O-CG 3.41Å; K13-L17 PolarHBondContact O-N 3.5Å; K13-L17 VanDerWaalsContact O-N 3.1Å
14R47.6Very low45.3Very low180 Ų180116.3 Ų116.368%0.67955%0.553SS**Hα-helixtrans-63.3-44.8171.7-87.9-177.8176.9177.10.3113.2H10 E11 N12 L17 Y18H10-R14 WeakPolarHBondContact O-CB 3.2Å; H10-R14 PolarHBondContact O-N 2.83Å; E11-R14 WeakPolarHBondContact O-CB 3.14Å; E11-R14 PolarHBondContact O-N 3.24Å; N12-R14 VanDerWaalsContact C-N 3.28Å; N12-R14 PolarHBondContact O-N 3.31Å; R14-L17 WeakPolarHBondContact O-CB 3.42Å; R14-L17 PolarHBondContact O-N 2.91Å; R14-Y18 WeakPolarHBondContact O-CD2 3.32Å; R14-Y18 PolarHBondContact O-N 2.92Å
15K46.7Very low44.9Very low124 Ų124118.1 Ų118.154%0.53955%0.548SS..Hα-helixtrans-67.6-36.3-179.7-75.6172.7-177.4170.40112.6E11 N12 Y18 R19E11-K15 WeakPolarHBondContact O-CB 3.09Å; E11-K15 WeakPolarHBondContact O-CG 3.42Å; E11-K15 PolarHBondContact O-N 2.82Å; N12-K15 PolarHBondContact O-N 3.12Å; N12-K15 VanDerWaalsContact O-N 3.17Å; K15-Y18 PolarHBondContact O-N 2.85Å; K15-R19 PolarHBondContact O-N 3.07Å
16E48.5Very low45Very low113 Ų113113.3 Ų113.353%0.52852%0.519SS..Hα-helixtrans-65.8-39.4172.9-15085-150.200111.2N12 R19N12-E16 WeakPolarHBondContact O-CB 3.46Å; N12-E16 PolarHBondContact O-N 3.41Å; E16-R19 PolarHBondContact O-N 3.11Å
17L44.7Very low45.3Very low86 Ų86108.1 Ų108.145%0.4549%0.493SS..Hα-helixtrans-63.2-41.6174.2-82.1160.9000112.2K13 R14 R19 R20K13-L17 WeakPolarHBondContact O-CB 3.28Å; K13-L17 VanDerWaalsContact O-CD1 3.26Å; K13-L17 WeakPolarHBondContact O-CD1 3.28Å; K13-L17 VanDerWaalsContact O-CG 3.23Å; K13-L17 WeakPolarHBondContact O-CG 3.41Å; K13-L17 PolarHBondContact O-N 3.5Å; K13-L17 VanDerWaalsContact O-N 3.1Å; R14-L17 WeakPolarHBondContact O-CB 3.42Å; R14-L17 PolarHBondContact O-N 2.91Å; L17-R19 VanDerWaalsContact C-N 3.31Å; L17-R19 PolarHBondContact O-N 3.04Å; L17-R20 PolarHBondContact O-N 3.05Å
18Y42Very low45.7Very low156 Ų156103.8 Ų103.861%0.61247%0.469SS*.Hα-helixtrans-69.1-22.9178-94.6-78.2000114.4R14 K15 R20R14-Y18 WeakPolarHBondContact O-CD2 3.32Å; R14-Y18 PolarHBondContact O-N 2.92Å; K15-Y18 PolarHBondContact O-N 2.85Å; Y18-R20 VanDerWaalsContact C-N 3.32Å
19R43.4Very low45.9Very low215 Ų215101.9 Ų101.981%0.81145%0.453SS*.Hα-helixtrans-74.7-19.7176.8-83.2-178.4168.6177.8-3.3113.2K15 E16 L17 K21K15-R19 PolarHBondContact O-N 3.07Å; E16-R19 PolarHBondContact O-N 3.11Å; L17-R19 VanDerWaalsContact C-N 3.31Å; L17-R19 PolarHBondContact O-N 3.04Å; R19-K21 PolarHBondContact O-N 3.35Å
20R46.7Very low46Very low143 Ų143101.3 Ų101.354%0.5445%0.445SS..  trans-92.661-176.3-65.1-175.2-177.7176.46.1112.1L17 Y18 K22L17-R20 PolarHBondContact O-N 3.05Å; Y18-R20 VanDerWaalsContact C-N 3.32Å; R20-K22 PolarHBondContact O-N 3.04Å
21K36.8Very low45.9Very low150 Ų15099.8 Ų99.865%0.65246%0.455SS*.  trans-79.498.3174.6-68.9-172.7176.1-169.60111.1R19R19-K21 PolarHBondContact O-N 3.35Å
22K43.6Very low45.8Very low162 Ų162100.7 Ų100.770%0.70446%0.463SS*.  trans-131.3123.1156-81.8-172.4177.7179.80108.7R20 I24R20-K22 PolarHBondContact O-N 3.04Å; K22-I24 PolarHBondContact O-N 3.13Å; K22-I24 VanDerWaalsContact O-N 3.12Å
23N43.7Very low45.8Very low107 Ų107100 Ų10057%0.57246%0.459SS*.  trans-63.8110.2-179-69.3-9.4000110.2Y39N23-Y39 HydrophobicContact CB-CD1 3.8Å; N23-Y39 HydrophobicContact CB-CE1 4.36Å
24I50.1Low45.1Very low26 Ų26100.9 Ų100.913%0.13346%0.458CS..  trans-77.6121.3171.5-57.2168.1000107.2K22 L26 Y39 M45K22-I24 PolarHBondContact O-N 3.13Å; K22-I24 VanDerWaalsContact O-N 3.12Å; I24-L26 HydrophobicContact CG2-CD2 4.19Å; I24-L26 HydrophobicContact CG2-CG 4.03Å; I24-L26 PolarHBondContact O-N 3.2Å; I24-Y39 WeakPolarHBondContact O-CA 3.23Å; I24-M45 HydrophobicContact CD1-CE 4.17Å; I24-M45 HydrophobicContact CG2-CE 4.17Å
25R44.8Very low44.9Very low116 Ų11694.7 Ų94.744%0.43844%0.44SS..EExtended strand (participates in β ladder)trans-87104.4175.1-171.2179.4-176.7176.91.2108.9F37 Y39 L275R25-F37 HydrophobicContact CG-CD1 3.78Å; R25-F37 HydrophobicContact CG-CE1 4.35Å; R25-Y39 HydrophobicContact CB-CD1 4.46Å; R25-Y39 HydrophobicContact CB-CE1 3.91Å; R25-Y39 HydrophobicContact CG-CE1 4.03Å; R25-L275 HydrophobicContact CG-CD1 4.2Å; R25-L275 VanDerWaalsContact O-CD1 3.28Å; R25-L275 WeakPolarHBondContact O-CD1 3.38Å
26L47.2Very low44.4Very low1 Ų194.8 Ų94.81%0.00544%0.441CS..EExtended strand (participates in β ladder)trans-99130.7173.8-67.1165.5000110.3I24 F37 V38 L43 I276 I278I24-L26 HydrophobicContact CG2-CD2 4.19Å; I24-L26 HydrophobicContact CG2-CG 4.03Å; I24-L26 PolarHBondContact O-N 3.2Å; L26-F37 WeakPolarHBondContact O-CA 3.48Å; L26-V38 PolarHBondContact N-O 3.37Å; L26-V38 VanDerWaalsContact N-O 3.17Å; L26-V38 PolarHBondContact O-N 2.89Å; L26-V38 VanDerWaalsContact O-N 3.11Å; L26-L43 HydrophobicContact CD1-CD1 3.21Å; L26-I276 HydrophobicContact CD2-CB 4.01Å; L26-I276 HydrophobicContact CD2-CG2 3.81Å; L26-I278 HydrophobicContact CB-CD1 4.3Å; L26-I278 HydrophobicContact CD1-CD1 4.08Å; L26-I278 HydrophobicContact CD2-CD1 4.43Å
27G47.3Very low44Very low0 Ų093 Ų930%043%0.432CS..EExtended strand (participates in β ladder)trans-91.7103.4171.500000110.3V29 I276 L277 I278G27-V29 PolarHBondContact O-N 3.27Å; G27-I276 PolarHBondContact N-O 3.26Å; G27-L277 WeakPolarHBondContact O-CA 3.14Å; G27-I278 PolarHBondContact O-N 3.35Å; G27-I278 VanDerWaalsContact O-N 3.07Å
28I50.6Low43.8Very low14 Ų1491 Ų917%0.07242%0.423CS..EExtended strand (participates in β ladder)trans-80.7118.9171.9-57.5-174.6000108.6V35 F36 V38 I278 A280 L283I28-V35 WeakPolarHBondContact O-CA 3.49Å; I28-F36 HydrophobicContact CB-CB 4.4Å; I28-F36 WeakPolarHBondContact CB-O 3.43Å; I28-F36 PolarHBondContact N-O 3.28Å; I28-F36 PolarHBondContact O-N 3.22Å; I28-F36 VanDerWaalsContact O-N 3.11Å; I28-V38 HydrophobicContact CD1-CB 4.04Å; I28-V38 HydrophobicContact CD1-CG2 3.33Å; I28-V38 HydrophobicContact CG1-CG2 4.09Å; I28-I278 CarbonylContact C-O 3.56Å; I28-I278 VanDerWaalsContact CA-O 3.28Å; I28-I278 WeakPolarHBondContact CA-O 3.34Å; I28-I278 HydrophobicContact CG1-CD1 4.31Å; I28-I278 HydrophobicContact CG1-CG1 3.99Å; I28-A280 HydrophobicContact CG2-CB 4.11Å; I28-L283 HydrophobicContact CD1-CD2 3.89Å
29V48.8Very low43.8Very low3 Ų389.8 Ų89.82%0.01842%0.418CS..EExtended strand (participates in β ladder)trans-101.1113.9175.8-172.60000108.7G27 Y254 L266 L277 I278G27-V29 PolarHBondContact O-N 3.27Å; V29-Y254 HydrophobicContact CG1-CD1 4.05Å; V29-L266 HydrophobicContact CB-CD1 3.9Å; V29-L277 HydrophobicContact CG2-CB 4.45Å; V29-L277 HydrophobicContact CG2-CD2 4.38Å; V29-I278 PolarHBondContact N-O 2.88Å
30S46Very low43.8Very low46 Ų4681.5 Ų81.532%0.32239%0.39SS..  trans-79.5155.5171.8-178.70000110.9N32 N33 R34S30-N32 PolarHBondContact O-N 2.75Å; S30-N33 PolarHBondContact O-N 2.71Å; S30-R34 VanDerWaalsContact CB-O 3.26Å; S30-R34 WeakPolarHBondContact CB-O 3.36Å; S30-R34 PolarHBondContact N-O 2.71Å
31A43.7Very low43.7Very low92 Ų9281.1 Ų81.176%0.7639%0.394SS*.THydrogen-bonded Turntrans-53.4-25.5173.800000113.3N33A31-N33 VanDerWaalsContact C-N 3.29Å; A31-N33 PolarHBondContact O-N 3.36Å
32N45.3Very low44.2Very low128 Ų12877.9 Ų77.968%0.68438%0.384SS*.THydrogen-bonded Turntrans-88.817.8176.8-65.6-11.4000113.7S30 R34S30-N32 PolarHBondContact O-N 2.75Å; N32-R34 PolarHBondContact O-N 3.34Å
33N44.4Very low44.6Very low85 Ų8570.6 Ų70.646%0.45535%0.353SS..SBendtrans53.618.9-171.7-73.9-26.1000114.4S30 A31S30-N33 PolarHBondContact O-N 2.71Å; A31-N33 VanDerWaalsContact C-N 3.29Å; A31-N33 PolarHBondContact O-N 3.36Å
34R36.2Very low45.4Very low172 Ų17269.4 Ų69.465%0.64934%0.344SS*.  trans-80135.4170-71-171.7-179175.51.1109.1S30 N32 F36S30-R34 VanDerWaalsContact CB-O 3.26Å; S30-R34 WeakPolarHBondContact CB-O 3.36Å; S30-R34 PolarHBondContact N-O 2.71Å; N32-R34 PolarHBondContact O-N 3.34Å; R34-F36 HydrophobicContact CB-CE2 4.22Å
35V42.9Very low46.6Very low50 Ų5068.7 Ų68.730%0.30334%0.34SS..EExtended strand (participates in β ladder)trans-116.3126.2-170.1179.20000108.3I28 F37 P257I28-V35 WeakPolarHBondContact O-CA 3.49Å; V35-F37 HydrophobicContact CG1-CD2 4.38Å; V35-F37 HydrophobicContact CG1-CE2 3.99Å; V35-F37 HydrophobicContact CG1-CZ 4.15Å; V35-P257 HydrophobicContact CB-CB 3.91Å; V35-P257 HydrophobicContact CG1-CB 3.23Å; V35-P257 HydrophobicContact CG1-CG 3.63Å; V35-P257 HydrophobicContact CG2-CB 3.56Å; V35-P257 HydrophobicContact CG2-CG 4.48Å
36F36.4Very low48.2Very low126 Ų12666.5 Ų66.555%0.55333%0.331SS*.EExtended strand (participates in β ladder)trans-116.5126.3169.3-63-87.5000108.4I28 R34I28-F36 HydrophobicContact CB-CB 4.4Å; I28-F36 WeakPolarHBondContact CB-O 3.43Å; I28-F36 PolarHBondContact N-O 3.28Å; I28-F36 PolarHBondContact O-N 3.22Å; I28-F36 VanDerWaalsContact O-N 3.11Å; R34-F36 HydrophobicContact CB-CE2 4.22Å
37F40.1Very low50.1Low76 Ų7667.7 Ų67.733%0.33334%0.337SS..EExtended strand (participates in β ladder)trans-86.3115168.6-68.6-78.4000107.6R25 L26 V35 P257 L275R25-F37 HydrophobicContact CG-CD1 3.78Å; R25-F37 HydrophobicContact CG-CE1 4.35Å; L26-F37 WeakPolarHBondContact O-CA 3.48Å; V35-F37 HydrophobicContact CG1-CD2 4.38Å; V35-F37 HydrophobicContact CG1-CE2 3.99Å; V35-F37 HydrophobicContact CG1-CZ 4.15Å; F37-P257 HydrophobicContact CE1-CG 4.1Å; F37-P257 HydrophobicContact CZ-CB 3.99Å; F37-P257 HydrophobicContact CZ-CG 3.93Å; F37-L275 HydrophobicContact CE1-CD2 3.88Å
38V39.9Very low51.8Low44 Ų4467.9 Ų67.927%0.26734%0.338SS..EExtended strand (participates in β ladder)trans-105.2123173.4-178.80000107.7L26 I28 N40L26-V38 PolarHBondContact N-O 3.37Å; L26-V38 VanDerWaalsContact N-O 3.17Å; L26-V38 PolarHBondContact O-N 2.89Å; L26-V38 VanDerWaalsContact O-N 3.11Å; I28-V38 HydrophobicContact CD1-CB 4.04Å; I28-V38 HydrophobicContact CD1-CG2 3.33Å; I28-V38 HydrophobicContact CG1-CG2 4.09Å; V38-N40 HydrophobicContact CG1-CB 4.13Å
39Y42.6Very low53.7Low129 Ų12967.2 Ų67.251%0.50634%0.335SS..EExtended strand (participates in β ladder)trans-91.299.9164.4-60.7-80.2000105.8N23 I24 R25N23-Y39 HydrophobicContact CB-CD1 3.8Å; N23-Y39 HydrophobicContact CB-CE1 4.36Å; I24-Y39 WeakPolarHBondContact O-CA 3.23Å; R25-Y39 HydrophobicContact CB-CD1 4.46Å; R25-Y39 HydrophobicContact CB-CE1 3.91Å; R25-Y39 HydrophobicContact CG-CE1 4.03Å
40N42.9Very low55.5Low42 Ų4267.2 Ų67.223%0.22534%0.335CS..  trans-104115.3176.2-159.2-21.8000108.5V38 L42 L43V38-N40 HydrophobicContact CG1-CB 4.13Å; N40-L42 PolarHBondContact O-N 3.41Å; N40-L42 PolarHBondContact OD1-N 3.28Å; N40-L43 HydrophobicContact CB-CB 4.49Å; N40-L43 HydrophobicContact CB-CD1 3.42Å; N40-L43 VanDerWaalsContact CB-CD1 3.42Å; N40-L43 HydrophobicContact CB-CG 3.81Å
41E43.5Very low57.5Low134 Ų13465.1 Ų65.163%0.62632%0.32SS*.THydrogen-bonded Turntrans-72.8-7.2-178.6-61.4-172.216400112.7
42L48.6Very low59.6Low83 Ų8360.8 Ų60.844%0.43528%0.284SS..THydrogen-bonded Turntrans-119.8-3.2-168.7-67.1166.8000114.9N40 Q44 F291N40-L42 PolarHBondContact O-N 3.41Å; N40-L42 PolarHBondContact OD1-N 3.28Å; L42-Q44 PolarHBondContact O-N 3.47Å; L42-Q44 VanDerWaalsContact O-N 3.16Å; L42-F291 HydrophobicContact CD1-CZ 3.98Å
43L52.1Low61.6Low9 Ų954.7 Ų54.75%0.04725%0.251CS..  trans-80.6101.5179.1-69.6165.5000110.6L26 N40 M45 I100 L283 S286 L290L26-L43 HydrophobicContact CD1-CD1 3.21Å; N40-L43 HydrophobicContact CB-CB 4.49Å; N40-L43 HydrophobicContact CB-CD1 3.42Å; N40-L43 VanDerWaalsContact CB-CD1 3.42Å; N40-L43 HydrophobicContact CB-CG 3.81Å; L43-M45 PolarHBondContact O-N 3.17Å; L43-I100 HydrophobicContact CB-CD1 4.12Å; L43-I100 HydrophobicContact CD2-CD1 4.34Å; L43-L283 HydrophobicContact CD1-CD1 3.28Å; L43-L283 HydrophobicContact CD2-CD1 3.41Å; L43-L283 VanDerWaalsContact CD2-CD1 3.41Å; L43-L283 HydrophobicContact CG-CD1 3.88Å; L43-S286 WeakPolarHBondContact CD2-OG 3.46Å; L43-L290 HydrophobicContact CD2-CD1 3.91Å
44Q60.4Low63.7Low82 Ų8251.1 Ų51.138%0.38323%0.232SC..  trans-79.4105.9171.9-66.6173.210.400109L42 I175L42-Q44 PolarHBondContact O-N 3.47Å; L42-Q44 VanDerWaalsContact O-N 3.16Å; Q44-I175 HydrophobicContact CB-CD1 3.92Å; Q44-I175 HydrophobicContact CB-CG1 4.42Å; Q44-I175 HydrophobicContact CG-CD1 4.26Å; Q44-I175 VanDerWaalsContact OE1-CD1 3.23Å
45M74.5Confident66.3Low11 Ų1143 Ų435%0.05420%0.201CC..  trans-73.7128.7170-69.6-173.1-68.600109.3I24 L43 I100 H173 C174 I175 I276I24-M45 HydrophobicContact CD1-CE 4.17Å; I24-M45 HydrophobicContact CG2-CE 4.17Å; L43-M45 PolarHBondContact O-N 3.17Å; M45-I100 HydrophobicContact CG-CD1 3.67Å; M45-I100 HydrophobicContact CG-CG1 4.05Å; M45-H173 WeakPolarHBondContact CE-CD2 3.33Å; M45-H173 WeakPolarHBondContact CE-NE2 3.34Å; M45-C174 HydrophobicContact CB-CB 4.44Å; M45-C174 CarbonylContact O-C 3.58Å; M45-C174 WeakPolarHBondContact O-CA 3.33Å; M45-C174 WeakPolarHBondContact O-CB 3.14Å; M45-I175 PolarHBondContact O-N 3.45Å; M45-I276 HydrophobicContact CE-CD1 3.86Å; M45-I276 HydrophobicContact SD-CD1 3.39Å; M45-I276 WeakPolarHBondContact SD-CD1 3.13Å
46R79.7Confident68.5Low70 Ų7043 Ų4326%0.26421%0.206SC..EExtended strand (participates in β ladder)trans-105.1132.7178.6-57.2169.963.2-171.53.1109.4V48 F94 S101 Q102 I175 E177R46-V48 HydrophobicContact CB-CG2 4.31Å; R46-F94 HydrophobicContact CB-CZ 4.37Å; R46-S101 WeakPolarHBondContact CB-OG 3.1Å; R46-S101 PolarHBondContact N-OG 3.28Å; R46-S101 CarbonylContact O-C 3.48Å; R46-S101 WeakPolarHBondContact O-CA 3.25Å; R46-S101 WeakPolarHBondContact O-CB 3.32Å; R46-S101 PolarHBondContact O-OG 2.79Å; R46-Q102 PolarHBondContact O-N 3.49Å; R46-I175 HydrophobicContact CG-CB 4.43Å; R46-E177 IonicContact CZ-OE1 2.82Å; R46-E177 IonicContact CZ-OE2 2.52Å; R46-E177 IonicContact NE-OE1 3.96Å; R46-E177 IonicContact NE-OE2 3.2Å; R46-E177 PolarHBondContact NE-OE2 3.12Å; R46-E177 IonicContact NH2-OE1 3.71Å; R46-E177 IonicContact NH2-OE2 2.69Å; R46-E177 PolarHBondContact NH2-OE2 2.93Å
47Q86.4Confident70.9Confident25 Ų2538.1 Ų38.112%0.11719%0.189CC..EExtended strand (participates in β ladder)trans-112.6110.7167.3-69.7-163-9.400108F119 L167 T170 C174 I175 E177Q47-F119 HydrophobicContact CB-CE1 4.21Å; Q47-F119 HydrophobicContact CB-CZ 4.47Å; Q47-L167 HydrophobicContact CB-CD2 3.81Å; Q47-T170 HydrophobicContact CB-CG2 4.49Å; Q47-T170 HydrophobicContact CG-CG2 4.05Å; Q47-T170 VanDerWaalsContact OE1-CB 3.3Å; Q47-T170 PolarHBondContact OE1-OG1 3Å; Q47-C174 HydrophobicContact CG-CB 4.48Å; Q47-I175 PolarHBondContact N-O 3.29Å; Q47-E177 PolarHBondContact O-N 2.81Å
48V83.8Confident73Confident4 Ų434.5 Ų34.52%0.02417%0.174CC..EExtended strand (participates in β ladder)trans-108.8124.6-174.7-175.60000108.9R46 L50 F94 Q102 V103 C104 E177R46-V48 HydrophobicContact CB-CG2 4.31Å; V48-L50 HydrophobicContact CG1-CD2 3.92Å; V48-L50 HydrophobicContact CG1-CG 4.4Å; V48-F94 HydrophobicContact CB-CZ 4.37Å; V48-F94 HydrophobicContact CG2-CE1 4.43Å; V48-F94 HydrophobicContact CG2-CE2 3.73Å; V48-F94 HydrophobicContact CG2-CZ 3.49Å; V48-F94 VanDerWaalsContact CG2-CZ 3.49Å; V48-Q102 PolarHBondContact N-O 3.34Å; V48-V103 HydrophobicContact CB-CG2 4.46Å; V48-V103 VanDerWaalsContact O-CA 3.29Å; V48-V103 WeakPolarHBondContact O-CA 3.4Å; V48-C104 PolarHBondContact O-N 3.31Å; V48-E177 CarbonylContact C-O 3.59Å; V48-E177 WeakPolarHBondContact CA-O 2.89Å; V48-E177 HydrophobicContact CG2-CB 4.27Å; V48-E177 WeakPolarHBondContact CG2-OE2 3.18Å
49C89Confident75.1Confident0 Ų035 Ų350%018%0.175CC..EExtended strand (participates in β ladder)trans-99.2110.7168.4-162.60000108.8C104 L106 F119 T163 L167 E177 V178 L179C49-C104 CarbonylContact C-O 3.51Å; C49-C104 WeakPolarHBondContact CA-O 3.33Å; C49-L106 WeakPolarHBondContact SG-CD1 3.37Å; C49-F119 HydrophobicContact CB-CZ 4.43Å; C49-T163 HydrophobicContact CB-CG2 3.52Å; C49-L167 HydrophobicContact CB-CD1 4.45Å; C49-E177 PolarHBondContact N-O 2.89Å; C49-V178 HydrophobicContact CB-CG1 4.42Å; C49-V178 CarbonylContact O-C 3.59Å; C49-V178 WeakPolarHBondContact O-CA 3.43Å; C49-L179 PolarHBondContact O-N 3.41Å
50L86.4Confident76.9Confident4 Ų432.5 Ų32.52%0.02117%0.17CC..EExtended strand (participates in β ladder)trans-84.5115.9173.5-63.9-179.1000108.5V48 L87 F90 V91 V103 C104 L105 L106 L179V48-L50 HydrophobicContact CG1-CD2 3.92Å; V48-L50 HydrophobicContact CG1-CG 4.4Å; L50-L87 HydrophobicContact CD1-CD1 4.14Å; L50-L87 HydrophobicContact CD1-CD2 4.28Å; L50-L87 HydrophobicContact CD1-CG 4.22Å; L50-F90 HydrophobicContact CD1-CD1 4.31Å; L50-F90 HydrophobicContact CD1-CE1 4.15Å; L50-F90 HydrophobicContact CD2-CE1 3.85Å; L50-V91 HydrophobicContact CD1-CG2 4.13Å; L50-V103 HydrophobicContact CD1-CG1 3.47Å; L50-V103 VanDerWaalsContact CD1-CG1 3.47Å; L50-V103 HydrophobicContact CG-CG1 3.7Å; L50-C104 PolarHBondContact N-O 2.72Å; L50-L105 HydrophobicContact CB-CD1 3.76Å; L50-L105 CarbonylContact O-C 3.09Å; L50-L105 WeakPolarHBondContact O-CA 3.48Å; L50-L106 PolarHBondContact O-N 2.52Å; L50-L179 WeakPolarHBondContact CA-O 3.27Å; L50-L179 HydrophobicContact CD2-CB 3.76Å; L50-L179 HydrophobicContact CD2-CD2 3.71Å; L50-L179 HydrophobicContact CD2-CG 4.14Å
51V87.9Confident78.6Confident2 Ų239.3 Ų39.31%0.01219%0.193CC..EExtended strand (participates in β ladder)trans-106.6118.4176.5-179.10000108L106 V108 V178 L179 V180 V181V51-L106 HydrophobicContact CG2-CB 4.3Å; V51-L106 HydrophobicContact CG2-CD1 4.17Å; V51-V108 HydrophobicContact CG1-CG2 3.5Å; V51-V178 HydrophobicContact CG2-CG1 3.8Å; V51-L179 PolarHBondContact N-O 2.84Å; V51-V180 HydrophobicContact CB-CB 4.25Å; V51-V180 HydrophobicContact CB-CG1 3.93Å; V51-V180 HydrophobicContact CB-CG2 4.13Å; V51-V180 HydrophobicContact CG1-CG1 3.88Å; V51-V180 HydrophobicContact CG2-CG2 4.39Å; V51-V180 CarbonylContact O-C 3.55Å; V51-V180 WeakPolarHBondContact O-CA 3.01Å; V51-V181 PolarHBondContact O-N 3.45Å
52L87.7Confident79.8Confident1 Ų136.5 Ų36.51%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-105.4124.3178.818064.8000110.1M54 M58 L68 T71 L72 L106 V108 V181L52-M54 HydrophobicContact CD2-CG 4.15Å; L52-M54 HydrophobicContact CG-CG 4.11Å; L52-M54 PolarHBondContact O-N 3.23Å; L52-M58 HydrophobicContact CD1-CE 4.14Å; L52-L68 HydrophobicContact CD2-CD1 4.12Å; L52-T71 HydrophobicContact CD1-CG2 3.38Å; L52-L72 HydrophobicContact CD2-CD2 3.45Å; L52-L72 VanDerWaalsContact CD2-CD2 3.45Å; L52-L72 HydrophobicContact CD2-CG 4.18Å; L52-L106 PolarHBondContact N-O 2.87Å; L52-V108 PolarHBondContact O-N 3.4Å; L52-V181 HydrophobicContact CD1-CB 4.32Å
53D88.3Confident80.5Confident0 Ų033 Ų330%016%0.164CC..EExtended strand (participates in β ladder)trans-65.4125164.7-176.64.8000109.8S55 M58 F154 V181 V182 G183 S184D53-S55 WeakPolarHBondContact OD1-CB 3.1Å; D53-S55 PolarHBondContact OD1-N 3.42Å; D53-S55 PolarHBondContact OD1-OG 2.92Å; D53-S55 PolarHBondContact OD2-OG 2.7Å; D53-M58 HydrophobicContact CB-CG 4.09Å; D53-M58 HydrophobicContact CB-SD 4.33Å; D53-M58 VanDerWaalsContact O-CE 3.3Å; D53-M58 WeakPolarHBondContact O-CE 3.48Å; D53-M58 VanDerWaalsContact O-CG 3.3Å; D53-M58 WeakPolarHBondContact O-CG 3.39Å; D53-F154 HydrophobicContact CB-CD2 3.81Å; D53-F154 HydrophobicContact CB-CE2 4.07Å; D53-V181 VanDerWaalsContact CB-O 3.26Å; D53-V181 WeakPolarHBondContact CB-O 3.35Å; D53-V181 PolarHBondContact N-O 3.14Å; D53-V182 HydrophobicContact CB-CG1 4.44Å; D53-G183 PolarHBondContact OD2-N 3.07Å; D53-S184 WeakPolarHBondContact OD2-CB 3.3Å; D53-S184 PolarHBondContact OD2-N 3Å
54M87.7Confident80.9Confident10 Ų1036.9 Ų36.95%0.04918%0.182CC..  trans-125.826.5175-57.2-176.57000110.7L52 L68 V108 K109 L116 H145 G150 S151L52-M54 HydrophobicContact CD2-CG 4.15Å; L52-M54 HydrophobicContact CG-CG 4.11Å; L52-M54 PolarHBondContact O-N 3.23Å; M54-L68 HydrophobicContact CG-CD1 4.39Å; M54-V108 CarbonylContact C-O 3.44Å; M54-V108 WeakPolarHBondContact CA-O 3.46Å; M54-V108 WeakPolarHBondContact CB-O 3.44Å; M54-V108 PolarHBondContact N-O 3.07Å; M54-K109 HydrophobicContact CB-CB 4.14Å; M54-L116 HydrophobicContact SD-CD1 4.32Å; M54-H145 HydrophobicContact CE-CB 3.84Å; M54-G150 CarbonylContact O-C 3.56Å; M54-G150 WeakPolarHBondContact O-CA 3.46Å; M54-S151 PolarHBondContact O-N 3.15Å; M54-S151 VanDerWaalsContact O-N 3.11Å
55S90.7Very high81.3Confident1 Ų135.4 Ų35.41%0.00718%0.179CC..SBendtrans-71.1172.7174.768.20000112.5D53 A57 M58 G150 S151 G152D53-S55 WeakPolarHBondContact OD1-CB 3.1Å; D53-S55 PolarHBondContact OD1-N 3.42Å; D53-S55 PolarHBondContact OD1-OG 2.92Å; D53-S55 PolarHBondContact OD2-OG 2.7Å; S55-A57 PolarHBondContact O-N 3.44Å; S55-M58 WeakPolarHBondContact O-CB 3.45Å; S55-M58 PolarHBondContact O-N 3.18Å; S55-M58 VanDerWaalsContact O-N 3.09Å; S55-G150 WeakPolarHBondContact O-CA 3.44Å; S55-S151 WeakPolarHBondContact CA-O 3.35Å; S55-G152 WeakPolarHBondContact CB-O 3.34Å
56A90.5Very high81.4Confident49 Ų4936 Ų3641%0.40518%0.183SC..G310 helixtrans-58.3-28.4176.300000113.1M58 N59 G152A56-M58 PolarHBondContact O-N 3.16Å; A56-M58 VanDerWaalsContact O-N 3.16Å; A56-N59 WeakPolarHBondContact O-CB 3.01Å; A56-N59 PolarHBondContact O-N 3.48Å; A56-N59 VanDerWaalsContact O-N 3.08Å; A56-G152 PolarHBondContact N-O 3.39Å
57A86.4Confident81.2Confident24 Ų2433.7 Ų33.720%0.19818%0.175CC..G310 helixtrans-63.9-18.3177.900000113.4S55 N59 D60 R67S55-A57 PolarHBondContact O-N 3.44Å; A57-N59 VanDerWaalsContact C-N 3.28Å; A57-D60 WeakPolarHBondContact O-CB 3.1Å; A57-D60 PolarHBondContact O-N 3.46Å; A57-R67 PolarHBondContact O-NH1 3.2Å
58M84Confident80.8Confident0 Ų032.6 Ų32.60%017%0.169CC..G310 helixtrans-82.9-6.4178.1-68-72.9-75.700113.2L52 D53 S55 A56 D60 R67 L68 L212L52-M58 HydrophobicContact CD1-CE 4.14Å; D53-M58 HydrophobicContact CB-CG 4.09Å; D53-M58 HydrophobicContact CB-SD 4.33Å; D53-M58 VanDerWaalsContact O-CE 3.3Å; D53-M58 WeakPolarHBondContact O-CE 3.48Å; D53-M58 VanDerWaalsContact O-CG 3.3Å; D53-M58 WeakPolarHBondContact O-CG 3.39Å; S55-M58 WeakPolarHBondContact O-CB 3.45Å; S55-M58 PolarHBondContact O-N 3.18Å; S55-M58 VanDerWaalsContact O-N 3.09Å; A56-M58 PolarHBondContact O-N 3.16Å; A56-M58 VanDerWaalsContact O-N 3.16Å; M58-D60 VanDerWaalsContact C-N 3.32Å; M58-R67 HydrophobicContact CE-CB 4.34Å; M58-R67 PolarHBondContact O-N 3.17Å; M58-R67 HydrophobicContact SD-CB 3.88Å; M58-L68 HydrophobicContact CB-CB 4.02Å; M58-L68 HydrophobicContact CE-CB 4.43Å; M58-L68 HydrophobicContact CE-CD1 4.15Å; M58-L68 WeakPolarHBondContact O-CB 3.13Å; M58-L68 PolarHBondContact O-N 2.83Å; M58-L212 HydrophobicContact CE-CD1 4.1Å; M58-L212 HydrophobicContact SD-CD1 3.81Å
59N84.1Confident80.3Confident54 Ų5434.7 Ų34.729%0.28918%0.18SC..G310 helixtrans-84.6-7.8171.1-61.9-29.3000112.9A56 A57 T66 G150A56-N59 WeakPolarHBondContact O-CB 3.01Å; A56-N59 PolarHBondContact O-N 3.48Å; A56-N59 VanDerWaalsContact O-N 3.08Å; A57-N59 VanDerWaalsContact C-N 3.28Å; N59-T66 WeakPolarHBondContact O-CG2 3.34Å; N59-G150 PolarHBondContact ND2-O 3.35Å; N59-G150 PolarHBondContact OD1-N 3.35Å
60D79.9Confident79.4Confident77 Ų7734.7 Ų34.741%0.41218%0.18SC..  trans-57145174.6-74.2-13.6000110.6A57 M58 T66 R67A57-D60 WeakPolarHBondContact O-CB 3.1Å; A57-D60 PolarHBondContact O-N 3.46Å; M58-D60 VanDerWaalsContact C-N 3.32Å; D60-T66 CarbonylContact O-C 3.52Å; D60-T66 VanDerWaalsContact O-CA 3.26Å; D60-T66 WeakPolarHBondContact O-CA 3.25Å; D60-R67 HydrophobicContact CB-CG 4.38Å; D60-R67 PolarHBondContact O-N 3.28Å; D60-R67 IonicContact OD2-CZ 2.86Å; D60-R67 IonicContact OD2-NH1 3.58Å; D60-R67 PolarHBondContact OD2-NH1 2.89Å; D60-R67 IonicContact OD2-NH2 2.7Å
61R78.1Confident78.6Confident185 Ų18534.5 Ų34.570%0.69818%0.179SC*.SBendtrans-107.822.7-174-51.4-169.9-180172.7-1.4113.2Q64 P65 T66R61-Q64 PolarHBondContact O-NE2 3.4Å; R61-P65 VanDerWaalsContact CG-O 3.31Å; R61-P65 WeakPolarHBondContact CG-O 3.41Å; R61-T66 HydrophobicContact CG-CG2 4.36Å
62D69Low77.7Confident75 Ų7534.4 Ų34.440%0.40118%0.179SC..SBendtrans-62.1-36.9168.662.8-25.8000110.6R67D62-R67 VanDerWaalsContact CG-NH2 3.33Å; D62-R67 WeakPolarHBondContact OD1-CD 3.38Å; D62-R67 WeakPolarHBondContact OD1-CG 3.45Å; D62-R67 IonicContact OD1-CZ 3.54Å; D62-R67 IonicContact OD1-NE 3.41Å; D62-R67 PolarHBondContact OD1-NE 3.28Å; D62-R67 IonicContact OD1-NH2 3.86Å; D62-R67 IonicContact OD2-CZ 2.71Å; D62-R67 IonicContact OD2-NE 2.77Å; D62-R67 PolarHBondContact OD2-NE 3.22Å; D62-R67 IonicContact OD2-NH2 3.06Å; D62-R67 PolarHBondContact OD2-NH2 2.88Å
63L64.5Low76.4Confident10 Ų1036.1 Ų36.15%0.05219%0.186CC..SBendtrans-97.6126.4161.6-46.2-179.4000109.7P65 T66 R67 C70 I82 L212L63-P65 CarbonylContact O-C 3.24Å; L63-P65 VanDerWaalsContact O-C 3.24Å; L63-T66 CarbonylContact O-C 3.22Å; L63-T66 WeakPolarHBondContact O-CA 3.47Å; L63-T66 PolarHBondContact O-N 3.04Å; L63-T66 VanDerWaalsContact O-N 3.1Å; L63-R67 HydrophobicContact CB-CG 4.47Å; L63-R67 HydrophobicContact CD1-CG 4.26Å; L63-R67 HydrophobicContact CG-CG 4.21Å; L63-C70 HydrophobicContact CB-CB 3.81Å; L63-C70 VanDerWaalsContact CB-SG 3.51Å; L63-C70 HydrophobicContact CD1-CB 3.99Å; L63-I82 HydrophobicContact CB-CG2 4.08Å; L63-I82 HydrophobicContact CD2-CG2 3.32Å; L63-I82 HydrophobicContact CG-CG2 4.27Å; L63-L212 HydrophobicContact CD1-CD1 4.4Å; L63-L212 HydrophobicContact CD1-CD2 4.26Å
64Q60Low74.5Confident91 Ų9137 Ų3743%0.42519%0.191SC..SBendtrans-90.7130-176.3-63.7-77.3-37.900110.9R61 C70 I82R61-Q64 PolarHBondContact O-NE2 3.4Å; Q64-C70 VanDerWaalsContact C-SG 3.52Å; Q64-C70 PolarHBondContact O-SG 3.2Å; Q64-I82 HydrophobicContact CB-CD1 3.57Å; Q64-I82 HydrophobicContact CG-CD1 3.37Å
65P69Low72Confident50 Ų5039.6 Ų39.633%0.32522%0.215SC..SBendcis-82.9-35.27.529-34.2000115R61 L63 L69R61-P65 VanDerWaalsContact CG-O 3.31Å; R61-P65 WeakPolarHBondContact CG-O 3.41Å; L63-P65 CarbonylContact O-C 3.24Å; L63-P65 VanDerWaalsContact O-C 3.24Å; P65-L69 HydrophobicContact CB-CD1 4.19Å; P65-L69 HydrophobicContact CG-CB 3.72Å; P65-L69 HydrophobicContact CG-CD1 3.42Å; P65-L69 VanDerWaalsContact CG-CD1 3.42Å; P65-L69 HydrophobicContact CG-CG 4.2Å
66T75.6Confident69.3Low23 Ų2347 Ų4714%0.14125%0.254CS..  trans-144.6158.4171.360.80000109N59 D60 R61 L63 L68 L69 C70N59-T66 WeakPolarHBondContact O-CG2 3.34Å; D60-T66 CarbonylContact O-C 3.52Å; D60-T66 VanDerWaalsContact O-CA 3.26Å; D60-T66 WeakPolarHBondContact O-CA 3.25Å; R61-T66 HydrophobicContact CG-CG2 4.36Å; L63-T66 CarbonylContact O-C 3.22Å; L63-T66 WeakPolarHBondContact O-CA 3.47Å; L63-T66 PolarHBondContact O-N 3.04Å; L63-T66 VanDerWaalsContact O-N 3.1Å; T66-L68 PolarHBondContact O-N 3.03Å; T66-L69 PolarHBondContact O-N 2.96Å; T66-L69 VanDerWaalsContact O-N 3.15Å; T66-L69 WeakPolarHBondContact OG1-CB 3.38Å; T66-L69 WeakPolarHBondContact OG1-CG 3.36Å; T66-L69 PolarHBondContact OG1-N 3.43Å; T66-C70 PolarHBondContact O-N 2.81Å
67R76.2Confident66.7Low22 Ų2252.7 Ų52.78%0.08327%0.27CS..Hα-helixtrans-51.3-44.7173.5-66.5-174.4178.8141.8-1.5112.5A57 M58 D60 D62 L63 L69 C70 T71 G183 L212 S213A57-R67 PolarHBondContact O-NH1 3.2Å; M58-R67 HydrophobicContact CE-CB 4.34Å; M58-R67 PolarHBondContact O-N 3.17Å; M58-R67 HydrophobicContact SD-CB 3.88Å; D60-R67 HydrophobicContact CB-CG 4.38Å; D60-R67 PolarHBondContact O-N 3.28Å; D60-R67 IonicContact OD2-CZ 2.86Å; D60-R67 IonicContact OD2-NH1 3.58Å; D60-R67 PolarHBondContact OD2-NH1 2.89Å; D60-R67 IonicContact OD2-NH2 2.7Å; D62-R67 VanDerWaalsContact CG-NH2 3.33Å; D62-R67 WeakPolarHBondContact OD1-CD 3.38Å; D62-R67 WeakPolarHBondContact OD1-CG 3.45Å; D62-R67 IonicContact OD1-CZ 3.54Å; D62-R67 IonicContact OD1-NE 3.41Å; D62-R67 PolarHBondContact OD1-NE 3.28Å; D62-R67 IonicContact OD1-NH2 3.86Å; D62-R67 IonicContact OD2-CZ 2.71Å; D62-R67 IonicContact OD2-NE 2.77Å; D62-R67 PolarHBondContact OD2-NE 3.22Å; D62-R67 IonicContact OD2-NH2 3.06Å; D62-R67 PolarHBondContact OD2-NH2 2.88Å; L63-R67 HydrophobicContact CB-CG 4.47Å; L63-R67 HydrophobicContact CD1-CG 4.26Å; L63-R67 HydrophobicContact CG-CG 4.21Å; R67-L69 PolarHBondContact O-N 3.33Å; R67-C70 PolarHBondContact O-N 3Å; R67-T71 WeakPolarHBondContact O-CB 3.26Å; R67-T71 PolarHBondContact O-N 3.4Å; R67-T71 PolarHBondContact O-OG1 3.33Å; R67-G183 PolarHBondContact NH1-O 2.66Å; R67-L212 HydrophobicContact CB-CD1 3.91Å; R67-L212 HydrophobicContact CG-CD1 4.23Å; R67-S213 PolarHBondContact NH1-OG 2.73Å; R67-S213 PolarHBondContact NH2-OG 3.11Å
68L77.3Confident64.3Low2 Ų257.8 Ų57.81%0.0129%0.294CS..Hα-helixtrans-59.2-49.1178.9-173.358.9000111.7L52 M54 M58 T66 C70 T71 L72 G148L52-L68 HydrophobicContact CD2-CD1 4.12Å; M54-L68 HydrophobicContact CG-CD1 4.39Å; M58-L68 HydrophobicContact CB-CB 4.02Å; M58-L68 HydrophobicContact CE-CB 4.43Å; M58-L68 HydrophobicContact CE-CD1 4.15Å; M58-L68 WeakPolarHBondContact O-CB 3.13Å; M58-L68 PolarHBondContact O-N 2.83Å; T66-L68 PolarHBondContact O-N 3.03Å; L68-C70 PolarHBondContact O-N 3.12Å; L68-T71 PolarHBondContact O-N 2.88Å; L68-L72 HydrophobicContact CD1-CD1 3.82Å; L68-L72 HydrophobicContact CD1-CG 4.07Å; L68-L72 HydrophobicContact CG-CD1 3.83Å; L68-L72 HydrophobicContact CG-CG 4.37Å; L68-L72 WeakPolarHBondContact O-CB 3.37Å; L68-L72 VanDerWaalsContact O-CG 3.27Å; L68-L72 WeakPolarHBondContact O-CG 3.19Å; L68-L72 PolarHBondContact O-N 2.93Å; L68-G148 VanDerWaalsContact CD2-O 3.24Å; L68-G148 WeakPolarHBondContact CD2-O 3.39Å
69L74.7Confident62.1Low48 Ų4863.1 Ų63.125%0.25133%0.329SS..Hα-helixtrans-67-38.1-179-77.5172.2000111.8P65 T66 R67 K73 L146P65-L69 HydrophobicContact CB-CD1 4.19Å; P65-L69 HydrophobicContact CG-CB 3.72Å; P65-L69 HydrophobicContact CG-CD1 3.42Å; P65-L69 VanDerWaalsContact CG-CD1 3.42Å; P65-L69 HydrophobicContact CG-CG 4.2Å; T66-L69 PolarHBondContact O-N 2.96Å; T66-L69 VanDerWaalsContact O-N 3.15Å; T66-L69 WeakPolarHBondContact OG1-CB 3.38Å; T66-L69 WeakPolarHBondContact OG1-CG 3.36Å; T66-L69 PolarHBondContact OG1-N 3.43Å; R67-L69 PolarHBondContact O-N 3.33Å; L69-K73 VanDerWaalsContact O-CA 3.26Å; L69-K73 WeakPolarHBondContact O-CA 3.49Å; L69-K73 WeakPolarHBondContact O-CB 3.26Å; L69-K73 PolarHBondContact O-N 2.81Å; L69-L146 HydrophobicContact CD2-CD2 3.58Å; L69-L146 HydrophobicContact CD2-CG 4.23Å; L69-L146 VanDerWaalsContact CD2-O 3.25Å; L69-L146 WeakPolarHBondContact CD2-O 3.28Å
70C69.6Low59.8Low0 Ų065 Ų650%035%0.346CS..Hα-helixtrans-61.8-46.8172.7-76.70000111.5L63 Q64 T66 R67 L68 L72 S84L63-C70 HydrophobicContact CB-CB 3.81Å; L63-C70 VanDerWaalsContact CB-SG 3.51Å; L63-C70 HydrophobicContact CD1-CB 3.99Å; Q64-C70 VanDerWaalsContact C-SG 3.52Å; Q64-C70 PolarHBondContact O-SG 3.2Å; T66-C70 PolarHBondContact O-N 2.81Å; R67-C70 PolarHBondContact O-N 3Å; L68-C70 PolarHBondContact O-N 3.12Å; C70-L72 PolarHBondContact O-N 2.92Å; C70-S84 PolarHBondContact SG-OG 2.94Å
71T70.4Confident57.4Low0 Ų070.8 Ų70.80%036%0.362CS..Hα-helixtrans-64.6-37.3178.8-60.10000113L52 R67 L68 I85 L87 V181L52-T71 HydrophobicContact CD1-CG2 3.38Å; R67-T71 WeakPolarHBondContact O-CB 3.26Å; R67-T71 PolarHBondContact O-N 3.4Å; R67-T71 PolarHBondContact O-OG1 3.33Å; L68-T71 PolarHBondContact O-N 2.88Å; T71-I85 CarbonylContact C-O 3.59Å; T71-I85 WeakPolarHBondContact CA-O 3.33Å; T71-I85 HydrophobicContact CG2-CB 4.49Å; T71-I85 HydrophobicContact CG2-CG2 4.35Å; T71-L87 VanDerWaalsContact O-CB 3.27Å; T71-L87 WeakPolarHBondContact O-CB 3.44Å; T71-L87 PolarHBondContact O-N 3.18Å; T71-L87 VanDerWaalsContact O-N 3.12Å; T71-V181 HydrophobicContact CG2-CB 4.41Å; T71-V181 HydrophobicContact CG2-CG1 3.7Å
72L67.2Low55.1Low1 Ų165.2 Ų65.21%0.00535%0.346CS..Hα-helixtrans-83.2-29.5-178.6-71.5179.9000113.1L52 L68 C70 V74 L142 H145 L146L52-L72 HydrophobicContact CD2-CD2 3.45Å; L52-L72 VanDerWaalsContact CD2-CD2 3.45Å; L52-L72 HydrophobicContact CD2-CG 4.18Å; L68-L72 HydrophobicContact CD1-CD1 3.82Å; L68-L72 HydrophobicContact CD1-CG 4.07Å; L68-L72 HydrophobicContact CG-CD1 3.83Å; L68-L72 HydrophobicContact CG-CG 4.37Å; L68-L72 WeakPolarHBondContact O-CB 3.37Å; L68-L72 VanDerWaalsContact O-CG 3.27Å; L68-L72 WeakPolarHBondContact O-CG 3.19Å; L68-L72 PolarHBondContact O-N 2.93Å; C70-L72 PolarHBondContact O-N 2.92Å; L72-V74 WeakPolarHBondContact O-CG2 3.34Å; L72-V74 PolarHBondContact O-N 2.87Å; L72-L142 HydrophobicContact CD2-CB 4.17Å; L72-L142 HydrophobicContact CD2-CD2 3.27Å; L72-L142 HydrophobicContact CD2-CG 4.29Å; L72-H145 HydrophobicContact CD1-CB 4.49Å; L72-L146 HydrophobicContact CB-CD1 4.4Å; L72-L146 HydrophobicContact CB-CG 4.23Å; L72-L146 HydrophobicContact CD1-CG 4.41Å
73K61.2Low53.4Low36 Ų3663 Ų6316%0.15734%0.338CS..  trans-38.4104.5-151.8-155168.9177.41760112.6L69 F77 N78 S88L69-K73 VanDerWaalsContact O-CA 3.26Å; L69-K73 WeakPolarHBondContact O-CA 3.49Å; L69-K73 WeakPolarHBondContact O-CB 3.26Å; L69-K73 PolarHBondContact O-N 2.81Å; K73-F77 WeakPolarHBondContact CE-O 3.11Å; K73-F77 PolarHBondContact NZ-O 3.25Å; K73-N78 PolarHBondContact NZ-O 3.29Å; K73-S88 PolarHBondContact O-OG 3.44Å
74V49.4Very low52.2Low18 Ų1863.4 Ų63.411%0.10934%0.341CS..  trans-97116.8165.2-168.50000104.5L72 N76 L142 K143 L146L72-V74 WeakPolarHBondContact O-CG2 3.34Å; L72-V74 PolarHBondContact O-N 2.87Å; V74-N76 PolarHBondContact O-N 3.23Å; V74-L142 HydrophobicContact CG2-CB 4.08Å; V74-K143 HydrophobicContact CB-CG 3.93Å; V74-K143 HydrophobicContact CG1-CD 4.19Å; V74-K143 HydrophobicContact CG1-CG 3.96Å; V74-K143 HydrophobicContact CG2-CG 3.98Å; V74-L146 HydrophobicContact CB-CD1 3.85Å; V74-L146 HydrophobicContact CG2-CD1 3.71Å
75A34.3Very low51.7Low65 Ų6560.9 Ų60.954%0.53733%0.331SS..SBendtrans-27.8121.7-171.500000115
76N34Very low51.5Low157 Ų15761.7 Ų61.784%0.8433%0.33SS*.  trans171.614.1153.1-86.7-18.3000116.5V74V74-N76 PolarHBondContact O-N 3.23Å
77F36.4Very low51.1Low168 Ų16860.8 Ų60.874%0.73732%0.324SS*.SBendtrans-137133.2176-132.6-103.8000112.1K73K73-F77 WeakPolarHBondContact CE-O 3.11Å; K73-F77 PolarHBondContact NZ-O 3.25Å
78N34.9Very low50.7Low131 Ų13159.9 Ų59.970%0.70132%0.321SS*.  trans-13.9118.8-178.9-94.7-43.4000116.3K73 S80K73-N78 PolarHBondContact NZ-O 3.29Å; N78-S80 PolarHBondContact O-N 2.77Å
79P37.7Very low50.1Low113 Ų11363 Ų6373%0.73434%0.338SS*.  trans-93.118.6-170.136.9-34.6000114.5R81P79-R81 PolarHBondContact O-N 3.42Å
80S35.7Very low49.7Very low94 Ų9464.1 Ų64.166%0.65734%0.341SS*.  trans-79.8-5.1-163.2-37.80000116.1N78N78-S80 PolarHBondContact O-N 2.77Å
81R29.8Very low49.8Very low197 Ų19764.1 Ų64.174%0.74334%0.341SS*.SBendtrans-150.1121.3-171.2-61.4-173.9-179.6-168.7-1.7111.3P79P79-R81 PolarHBondContact O-N 3.42Å
82I31.2Very low49.7Very low68 Ų6866.4 Ų66.435%0.34935%0.353SS..  trans95.5126.8156-57.6151.7000116.8L63 Q64 S84L63-I82 HydrophobicContact CB-CG2 4.08Å; L63-I82 HydrophobicContact CD2-CG2 3.32Å; L63-I82 HydrophobicContact CG-CG2 4.27Å; Q64-I82 HydrophobicContact CB-CD1 3.57Å; Q64-I82 HydrophobicContact CG-CD1 3.37Å; I82-S84 PolarHBondContact O-N 3.44Å; I82-S84 PolarHBondContact O-OG 3.44Å
83A32.3Very low49.5Very low29 Ų2970.7 Ų70.724%0.2438%0.376CS..  trans-52.398.6169.900000109.2Q233A83-Q233 PolarHBondContact O-NE2 3.49Å
84S38.9Very low49.9Very low18 Ų1869.3 Ų69.313%0.12637%0.37CS..  trans-103.5131.4-173.4-59.40000107.9C70 I82 H86C70-S84 PolarHBondContact SG-OG 2.94Å; I82-S84 PolarHBondContact O-N 3.44Å; I82-S84 PolarHBondContact O-OG 3.44Å; S84-H86 WeakPolarHBondContact CB-CE1 3.37Å; S84-H86 PolarHBondContact O-CD2 3.09Å; S84-H86 VanDerWaalsContact O-CD2 3.24Å; S84-H86 PolarHBondContact O-N 3.17Å
85I50Low51Low39 Ų3969.4 Ų69.420%0.237%0.369CS..  trans-65104.2171.9-63.5-176.2000107.4T71 L87 V181 V210 L212T71-I85 CarbonylContact C-O 3.59Å; T71-I85 WeakPolarHBondContact CA-O 3.33Å; T71-I85 HydrophobicContact CG2-CB 4.49Å; T71-I85 HydrophobicContact CG2-CG2 4.35Å; I85-L87 PolarHBondContact O-N 3.3Å; I85-L87 VanDerWaalsContact O-N 3.15Å; I85-V181 HydrophobicContact CD1-CG1 3.96Å; I85-V210 HydrophobicContact CD1-CB 4.3Å; I85-V210 HydrophobicContact CD1-CG1 3.33Å; I85-L212 HydrophobicContact CD1-CD2 3.32Å; I85-L212 HydrophobicContact CG1-CD2 4.09Å
86H65Low52.6Low66 Ų6669.7 Ų69.731%0.30636%0.362SS..  trans-89.287.3-179.2-67-55.2000110.1S84 S88 N89 F90S84-H86 WeakPolarHBondContact CB-CE1 3.37Å; S84-H86 PolarHBondContact O-CD2 3.09Å; S84-H86 VanDerWaalsContact O-CD2 3.24Å; S84-H86 PolarHBondContact O-N 3.17Å; H86-S88 PolarHBondContact O-N 3.35Å; H86-S88 VanDerWaalsContact O-N 3.14Å; H86-N89 HydrophobicContact CB-CB 3.86Å; H86-N89 PolarHBondContact O-N 3.36Å; H86-N89 VanDerWaalsContact O-N 3.09Å; H86-F90 PolarHBondContact O-N 2.97Å
87L68Low54.1Low4 Ų466.4 Ų66.42%0.02134%0.341CS..Hα-helixtrans-60-28.4179.5-155.772.2000111.8L50 T71 I85 F90 V91 L105 L142L50-L87 HydrophobicContact CD1-CD1 4.14Å; L50-L87 HydrophobicContact CD1-CD2 4.28Å; L50-L87 HydrophobicContact CD1-CG 4.22Å; T71-L87 VanDerWaalsContact O-CB 3.27Å; T71-L87 WeakPolarHBondContact O-CB 3.44Å; T71-L87 PolarHBondContact O-N 3.18Å; T71-L87 VanDerWaalsContact O-N 3.12Å; I85-L87 PolarHBondContact O-N 3.3Å; I85-L87 VanDerWaalsContact O-N 3.15Å; L87-F90 HydrophobicContact CD1-CD1 4.31Å; L87-V91 WeakPolarHBondContact O-CB 3.15Å; L87-V91 WeakPolarHBondContact O-CG2 3.38Å; L87-V91 PolarHBondContact O-N 2.86Å; L87-L105 HydrophobicContact CD2-CD1 3.86Å; L87-L142 HydrophobicContact CB-CD1 4.39Å; L87-L142 HydrophobicContact CD2-CD1 4.37Å; L87-L142 HydrophobicContact CD2-CD2 3.74Å
88S66.2Low55.6Low4 Ų459.7 Ų59.73%0.02831%0.313CS..Hα-helixtrans-63.8-44.7174.665.90000113.3K73 H86 D92 K139K73-S88 PolarHBondContact O-OG 3.44Å; H86-S88 PolarHBondContact O-N 3.35Å; H86-S88 VanDerWaalsContact O-N 3.14Å; S88-D92 PolarHBondContact O-N 3.21Å; S88-K139 VanDerWaalsContact O-CE 3.29Å; S88-K139 WeakPolarHBondContact O-CE 3.38Å
89N64.5Low57.3Low67 Ų6753.9 Ų53.936%0.35828%0.283SS..Hα-helixtrans-72.2-42.6176.1-65.1-4.5000110.5H86 V91 D92 D93H86-N89 HydrophobicContact CB-CB 3.86Å; H86-N89 PolarHBondContact O-N 3.36Å; H86-N89 VanDerWaalsContact O-N 3.09Å; N89-V91 PolarHBondContact O-N 3.32Å; N89-D92 WeakPolarHBondContact O-CB 3.21Å; N89-D92 PolarHBondContact O-N 3.36Å; N89-D93 PolarHBondContact O-N 3.27Å
90F67.6Low58.9Low71 Ų7149.4 Ų49.431%0.31125%0.252SS..Hα-helixtrans-53.9-43173.9170.5-92.9000111.4L50 H86 L87 F94 L179L50-F90 HydrophobicContact CD1-CD1 4.31Å; L50-F90 HydrophobicContact CD1-CE1 4.15Å; L50-F90 HydrophobicContact CD2-CE1 3.85Å; H86-F90 PolarHBondContact O-N 2.97Å; L87-F90 HydrophobicContact CD1-CD1 4.31Å; F90-F94 HydrophobicContact CE1-CB 4.23Å; F90-F94 HydrophobicContact CE1-CG 4.47Å; F90-F94 HydrophobicContact CZ-CB 4.28Å; F90-F94 HydrophobicContact CZ-CD2 4.04Å; F90-F94 HydrophobicContact CZ-CG 4.39Å; F90-F94 WeakPolarHBondContact O-CA 3.19Å; F90-F94 WeakPolarHBondContact O-CB 3.38Å; F90-F94 PolarHBondContact O-N 3.44Å; F90-L179 HydrophobicContact CE1-CD2 4.35Å; F90-L179 HydrophobicContact CE2-CD2 4.35Å; F90-L179 HydrophobicContact CZ-CD2 4.02Å
91V70.8Confident60.9Low1 Ų145.1 Ų45.11%0.00622%0.222CC..Hα-helixtrans-63.1-43.2177.5165.30000111.2L50 L87 N89 F95 P135 Q138L50-V91 HydrophobicContact CD1-CG2 4.13Å; L87-V91 WeakPolarHBondContact O-CB 3.15Å; L87-V91 WeakPolarHBondContact O-CG2 3.38Å; L87-V91 PolarHBondContact O-N 2.86Å; N89-V91 PolarHBondContact O-N 3.32Å; V91-F95 HydrophobicContact CG1-CD2 3.75Å; V91-F95 HydrophobicContact CG1-CE2 3.83Å; V91-F95 WeakPolarHBondContact O-CD2 3.38Å; V91-F95 PolarHBondContact O-N 2.99Å; V91-P135 HydrophobicContact CG1-CB 3.86Å; V91-Q138 HydrophobicContact CG1-CB 3.94Å; V91-Q138 HydrophobicContact CG1-CG 4.32Å; V91-Q138 HydrophobicContact CG2-CB 4.43Å
92D67.8Low63.4Low48 Ų4837.1 Ų37.126%0.25719%0.193SC..Hα-helixtrans-62.7-53.4176-68.7-25.7000111.5S88 N89 F94 F95 D96 K139S88-D92 PolarHBondContact O-N 3.21Å; N89-D92 WeakPolarHBondContact O-CB 3.21Å; N89-D92 PolarHBondContact O-N 3.36Å; D92-F94 VanDerWaalsContact C-N 3.27Å; D92-F94 PolarHBondContact O-N 3.28Å; D92-F95 PolarHBondContact O-N 3.33Å; D92-D96 WeakPolarHBondContact O-CB 3.14Å; D92-D96 PolarHBondContact O-N 3.03Å; D92-K139 WeakPolarHBondContact OD1-CE 3.45Å; D92-K139 IonicContact OD1-NZ 2.88Å; D92-K139 PolarHBondContact OD1-NZ 2.89Å; D92-K139 VanDerWaalsContact OD2-CE 3.29Å; D92-K139 WeakPolarHBondContact OD2-CE 3.43Å; D92-K139 IonicContact OD2-NZ 3.11Å; D92-K139 PolarHBondContact OD2-NZ 2.88Å
93D64.3Low65.8Low91 Ų9133.9 Ų33.949%0.48718%0.177SC..Hα-helixtrans-59.7-41.2-178.8-65.2-21000110.6N89 D96 Q97N89-D93 PolarHBondContact O-N 3.27Å; D93-D96 PolarHBondContact O-N 3.16Å; D93-Q97 WeakPolarHBondContact O-CB 3.43Å; D93-Q97 VanDerWaalsContact O-CG 3.23Å; D93-Q97 WeakPolarHBondContact O-CG 3.48Å; D93-Q97 PolarHBondContact O-N 3.39Å
94F69.2Low68.4Low7 Ų732.6 Ų32.63%0.03117%0.166CC..Hα-helixtrans-62-47.7177.3179.6-92.5000111.8R46 V48 F90 D92 D96 N98 S101 V103R46-F94 HydrophobicContact CB-CZ 4.37Å; V48-F94 HydrophobicContact CB-CZ 4.37Å; V48-F94 HydrophobicContact CG2-CE1 4.43Å; V48-F94 HydrophobicContact CG2-CE2 3.73Å; V48-F94 HydrophobicContact CG2-CZ 3.49Å; V48-F94 VanDerWaalsContact CG2-CZ 3.49Å; F90-F94 HydrophobicContact CE1-CB 4.23Å; F90-F94 HydrophobicContact CE1-CG 4.47Å; F90-F94 HydrophobicContact CZ-CB 4.28Å; F90-F94 HydrophobicContact CZ-CD2 4.04Å; F90-F94 HydrophobicContact CZ-CG 4.39Å; F90-F94 WeakPolarHBondContact O-CA 3.19Å; F90-F94 WeakPolarHBondContact O-CB 3.38Å; F90-F94 PolarHBondContact O-N 3.44Å; D92-F94 VanDerWaalsContact C-N 3.27Å; D92-F94 PolarHBondContact O-N 3.28Å; F94-D96 VanDerWaalsContact C-N 3.3Å; F94-N98 HydrophobicContact CE1-CB 4.33Å; F94-N98 HydrophobicContact CE2-CB 4.43Å; F94-N98 HydrophobicContact CZ-CB 4.22Å; F94-N98 WeakPolarHBondContact O-CA 3.14Å; F94-N98 WeakPolarHBondContact O-CB 3.37Å; F94-N98 PolarHBondContact O-N 2.71Å; F94-N98 PolarHBondContact O-ND2 3.02Å; F94-N98 VanDerWaalsContact O-ND2 3.13Å; F94-S101 VanDerWaalsContact CE1-CB 3.5Å; F94-V103 HydrophobicContact CD1-CG2 3.6Å; F94-V103 HydrophobicContact CE1-CG2 3.45Å; F94-V103 VanDerWaalsContact CE1-CG2 3.45Å; F94-V103 HydrophobicContact CZ-CG2 4.31Å
95F72.6Confident70.6Confident20 Ų2031.8 Ų31.89%0.08816%0.16CC..Hα-helixtrans-71.2-27.6178.9-82.4-65.7000112.6V91 D92 N98 P99 S101 V103 S133 P135V91-F95 HydrophobicContact CG1-CD2 3.75Å; V91-F95 HydrophobicContact CG1-CE2 3.83Å; V91-F95 WeakPolarHBondContact O-CD2 3.38Å; V91-F95 PolarHBondContact O-N 2.99Å; D92-F95 PolarHBondContact O-N 3.33Å; F95-N98 CarbonylContact O-C 3.6Å; F95-P99 VanDerWaalsContact O-CA 3.26Å; F95-P99 WeakPolarHBondContact O-CA 3.45Å; F95-S101 WeakPolarHBondContact CE1-O 3.33Å; F95-V103 HydrophobicContact CE2-CB 4.27Å; F95-V103 HydrophobicContact CE2-CG2 3.99Å; F95-V103 HydrophobicContact CZ-CB 4.02Å; F95-V103 HydrophobicContact CZ-CG2 3.77Å; F95-S133 WeakPolarHBondContact CE1-O 3.48Å; F95-S133 WeakPolarHBondContact CZ-O 3.38Å; F95-P135 HydrophobicContact CD2-CB 4.05Å; F95-P135 HydrophobicContact CD2-CG 4.36Å
96D68.9Low72.5Confident71 Ų7129.9 Ų29.938%0.3815%0.15SC..Hα-helixtrans-69-43.4175.1-89.3-0.5000112.2D92 D93 F94 R285D92-D96 WeakPolarHBondContact O-CB 3.14Å; D92-D96 PolarHBondContact O-N 3.03Å; D93-D96 PolarHBondContact O-N 3.16Å; F94-D96 VanDerWaalsContact C-N 3.3Å; D96-R285 PolarHBondContact O-NE 3.35Å; D96-R285 IonicContact OD1-CZ 3.31Å; D96-R285 VanDerWaalsContact OD1-CZ 3.31Å; D96-R285 IonicContact OD1-NH1 2.73Å; D96-R285 PolarHBondContact OD1-NH1 3.32Å; D96-R285 IonicContact OD1-NH2 3.59Å; D96-R285 PolarHBondContact OD1-NH2 3.39Å; D96-R285 VanDerWaalsContact OD1-NH2 3.11Å; D96-R285 IonicContact OD2-CZ 3.83Å; D96-R285 IonicContact OD2-NH1 3.95Å; D96-R285 IonicContact OD2-NH2 3.15Å; D96-R285 PolarHBondContact OD2-NH2 3.3Å
97Q64.5Low73.6Confident87 Ų8726.8 Ų26.841%0.40714%0.136SC..Hα-helixtrans-79.3-32176.7-61.6-179.87.700112.5D93 H289D93-Q97 WeakPolarHBondContact O-CB 3.43Å; D93-Q97 VanDerWaalsContact O-CG 3.23Å; D93-Q97 WeakPolarHBondContact O-CG 3.48Å; D93-Q97 PolarHBondContact O-N 3.39Å; Q97-H289 WeakPolarHBondContact CG-NE2 3.29Å
98N68.7Low74.7Confident28 Ų2826.6 Ų26.615%0.1514%0.135CC..  trans-130.467.3-172.1-50.9-95.4000111.9F94 F95 I100 S101F94-N98 HydrophobicContact CE1-CB 4.33Å; F94-N98 HydrophobicContact CE2-CB 4.43Å; F94-N98 HydrophobicContact CZ-CB 4.22Å; F94-N98 WeakPolarHBondContact O-CA 3.14Å; F94-N98 WeakPolarHBondContact O-CB 3.37Å; F94-N98 PolarHBondContact O-N 2.71Å; F94-N98 PolarHBondContact O-ND2 3.02Å; F94-N98 VanDerWaalsContact O-ND2 3.13Å; F95-N98 CarbonylContact O-C 3.6Å; N98-I100 VanDerWaalsContact C-N 3.26Å; N98-I100 PolarHBondContact O-N 3.42Å; N98-S101 WeakPolarHBondContact CB-OG 3.29Å; N98-S101 WeakPolarHBondContact O-CB 3.29Å; N98-S101 PolarHBondContact O-N 2.96Å; N98-S101 VanDerWaalsContact O-N 3.09Å
99P68.9Low75.8Confident9 Ų928.5 Ų28.56%0.05814%0.143CC..THydrogen-bonded Turntrans-63.7-30.9-172.121.3-31.5000113.3F95 S101 P267 H282F95-P99 VanDerWaalsContact O-CA 3.26Å; F95-P99 WeakPolarHBondContact O-CA 3.45Å; P99-S101 VanDerWaalsContact C-N 3.31Å; P99-P267 HydrophobicContact CB-CG 4.15Å; P99-P267 WeakPolarHBondContact O-CG 3.48Å; P99-H282 HydrophobicContact CB-CB 3.82Å; P99-H282 HydrophobicContact CG-CB 3.73Å; P99-H282 WeakPolarHBondContact CG-O 3.3Å
100I72.2Confident77.1Confident19 Ų1928.9 Ų28.910%0.09715%0.145CC..THydrogen-bonded Turntrans-83.1-7-179.164.9-179.7000114L43 M45 N98 I278L43-I100 HydrophobicContact CB-CD1 4.12Å; L43-I100 HydrophobicContact CD2-CD1 4.34Å; M45-I100 HydrophobicContact CG-CD1 3.67Å; M45-I100 HydrophobicContact CG-CG1 4.05Å; N98-I100 VanDerWaalsContact C-N 3.26Å; N98-I100 PolarHBondContact O-N 3.42Å; I100-I278 HydrophobicContact CG2-CB 4.48Å; I100-I278 HydrophobicContact CG2-CG2 3.6Å
101S78Confident78.2Confident4 Ų430 Ų303%0.02815%0.15CC..  trans-80158.7-178.1-66.90000111.1R46 F94 F95 N98 P99R46-S101 WeakPolarHBondContact CB-OG 3.1Å; R46-S101 PolarHBondContact N-OG 3.28Å; R46-S101 CarbonylContact O-C 3.48Å; R46-S101 WeakPolarHBondContact O-CA 3.25Å; R46-S101 WeakPolarHBondContact O-CB 3.32Å; R46-S101 PolarHBondContact O-OG 2.79Å; F94-S101 VanDerWaalsContact CE1-CB 3.5Å; F95-S101 WeakPolarHBondContact CE1-O 3.33Å; N98-S101 WeakPolarHBondContact CB-OG 3.29Å; N98-S101 WeakPolarHBondContact O-CB 3.29Å; N98-S101 PolarHBondContact O-N 2.96Å; N98-S101 VanDerWaalsContact O-N 3.09Å; P99-S101 VanDerWaalsContact C-N 3.31Å
102Q82.5Confident79.2Confident29 Ų2933.4 Ų33.414%0.13617%0.171CC..EExtended strand (participates in β ladder)trans-120.1144.2178.9-58.6-175.2-700110.4R46 V48 F119 A120R46-Q102 PolarHBondContact O-N 3.49Å; V48-Q102 PolarHBondContact N-O 3.34Å; Q102-F119 HydrophobicContact CB-CD1 3.79Å; Q102-F119 HydrophobicContact CB-CE1 4.26Å; Q102-A120 HydrophobicContact CG-CB 4.31Å; Q102-A120 PolarHBondContact NE2-O 3.06Å
103V81.7Confident80.3Confident0 Ų032.3 Ų32.30%017%0.165CC..EExtended strand (participates in β ladder)trans-123.5133.3178.5-179.50000109.6V48 L50 F94 F95 S133 Q138V48-V103 HydrophobicContact CB-CG2 4.46Å; V48-V103 VanDerWaalsContact O-CA 3.29Å; V48-V103 WeakPolarHBondContact O-CA 3.4Å; L50-V103 HydrophobicContact CD1-CG1 3.47Å; L50-V103 VanDerWaalsContact CD1-CG1 3.47Å; L50-V103 HydrophobicContact CG-CG1 3.7Å; F94-V103 HydrophobicContact CD1-CG2 3.6Å; F94-V103 HydrophobicContact CE1-CG2 3.45Å; F94-V103 VanDerWaalsContact CE1-CG2 3.45Å; F94-V103 HydrophobicContact CZ-CG2 4.31Å; F95-V103 HydrophobicContact CE2-CB 4.27Å; F95-V103 HydrophobicContact CE2-CG2 3.99Å; F95-V103 HydrophobicContact CZ-CB 4.02Å; F95-V103 HydrophobicContact CZ-CG2 3.77Å; V103-S133 WeakPolarHBondContact O-CB 3.37Å; V103-Q138 PolarHBondContact O-NE2 2.89Å
104C86.2Confident81.5Confident1 Ų133.5 Ų33.51%0.00717%0.166CC..EExtended strand (participates in β ladder)trans-120.7132.1170.7173.70000108.6V48 C49 L50 T117 F119V48-C104 PolarHBondContact O-N 3.31Å; C49-C104 CarbonylContact C-O 3.51Å; C49-C104 WeakPolarHBondContact CA-O 3.33Å; L50-C104 PolarHBondContact N-O 2.72Å; C104-T117 PolarHBondContact SG-O 3.27Å; C104-F119 HydrophobicContact CB-CD1 3.75Å; C104-F119 HydrophobicContact CB-CD2 3.69Å; C104-F119 HydrophobicContact CB-CE1 3.52Å; C104-F119 HydrophobicContact CB-CE2 3.45Å; C104-F119 VanDerWaalsContact CB-CE2 3.45Å; C104-F119 HydrophobicContact CB-CG 3.83Å; C104-F119 HydrophobicContact CB-CZ 3.36Å
105L84.9Confident82.3Confident1 Ų137.9 Ų37.91%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-105.1126-179.1-176.869.9000109.9L50 L87 L116 T117 L142L50-L105 HydrophobicContact CB-CD1 3.76Å; L50-L105 CarbonylContact O-C 3.09Å; L50-L105 WeakPolarHBondContact O-CA 3.48Å; L87-L105 HydrophobicContact CD2-CD1 3.86Å; L105-L116 HydrophobicContact CB-CB 4.23Å; L105-L116 HydrophobicContact CD2-CB 3.88Å; L105-L116 HydrophobicContact CD2-CD1 3.75Å; L105-L116 HydrophobicContact CD2-CG 4.39Å; L105-L116 HydrophobicContact CG-CB 4Å; L105-L116 HydrophobicContact CG-CD1 3.97Å; L105-L116 HydrophobicContact CG-CG 4.37Å; L105-L116 WeakPolarHBondContact O-CA 3.45Å; L105-L116 WeakPolarHBondContact O-CB 3.23Å; L105-L116 PolarHBondContact O-N 3.37Å; L105-T117 HydrophobicContact CB-CG2 4.31Å; L105-T117 WeakPolarHBondContact CB-OG1 3.38Å; L105-T117 PolarHBondContact N-OG1 3Å; L105-T117 PolarHBondContact O-N 2.95Å; L105-T117 VanDerWaalsContact O-N 3.09Å; L105-L142 HydrophobicContact CD1-CD2 4.28Å; L105-L142 HydrophobicContact CD2-CD2 3.47Å; L105-L142 VanDerWaalsContact CD2-CD2 3.47Å; L105-L142 HydrophobicContact CD2-CG 3.95Å
106L89.4Confident82.7Confident0 Ų038.5 Ų38.50%019%0.189CC..EExtended strand (participates in β ladder)trans-115.6135.6174.7-56.2-174.4000109.2C49 L50 V51 L52 V113 K114 K115 M162 L166C49-L106 WeakPolarHBondContact SG-CD1 3.37Å; L50-L106 PolarHBondContact O-N 2.52Å; V51-L106 HydrophobicContact CG2-CB 4.3Å; V51-L106 HydrophobicContact CG2-CD1 4.17Å; L52-L106 PolarHBondContact N-O 2.87Å; L106-V113 HydrophobicContact CB-CG1 4.02Å; L106-V113 HydrophobicContact CD1-CG1 4.1Å; L106-V113 HydrophobicContact CG-CG1 4.45Å; L106-K114 CarbonylContact C-O 3.59Å; L106-K114 WeakPolarHBondContact CA-O 3.34Å; L106-K115 HydrophobicContact CD2-CB 4.14Å; L106-K115 HydrophobicContact CD2-CG 3.73Å; L106-M162 HydrophobicContact CD1-CB 4.33Å; L106-M162 HydrophobicContact CD1-CG 3.88Å; L106-M162 HydrophobicContact CD2-CG 4.43Å; L106-L166 HydrophobicContact CD1-CD1 4.18Å; L106-L166 HydrophobicContact CD2-CD1 3.99Å
107G88.8Confident83.2Confident0 Ų036 Ų360%018%0.176CC..EExtended strand (participates in β ladder)trans-109.1130.5171.500000109.9K114G107-K114 PolarHBondContact N-O 3.49Å; G107-K114 PolarHBondContact O-N 3.42Å
108V91.4Very high83.8Confident0 Ų036.5 Ų36.50%018%0.179CC..EExtended strand (participates in β ladder)trans-108.4116.1-179.7-172.90000109.2V51 L52 M54 T112 V113 F154V51-V108 HydrophobicContact CG1-CG2 3.5Å; L52-V108 PolarHBondContact O-N 3.4Å; M54-V108 CarbonylContact C-O 3.44Å; M54-V108 WeakPolarHBondContact CA-O 3.46Å; M54-V108 WeakPolarHBondContact CB-O 3.44Å; M54-V108 PolarHBondContact N-O 3.07Å; V108-T112 WeakPolarHBondContact CA-O 3.02Å; V108-V113 HydrophobicContact CG2-CG2 4.31Å; V108-F154 HydrophobicContact CB-CD2 3.75Å; V108-F154 HydrophobicContact CB-CE2 3.75Å; V108-F154 HydrophobicContact CG1-CD2 3.63Å; V108-F154 HydrophobicContact CG1-CE2 3.89Å; V108-F154 HydrophobicContact CG1-CG 4.49Å; V108-F154 HydrophobicContact CG2-CD2 4.37Å; V108-F154 HydrophobicContact CG2-CE2 3.86Å
109K89.8Confident84Confident45 Ų4535.6 Ų35.620%0.19617%0.174CC..EExtended strand (participates in β ladder)trans-146139.4-175.3-170.7172.7170.8165.50110.2M54 K111 T112 E149 S151M54-K109 HydrophobicContact CB-CB 4.14Å; K109-K111 VanDerWaalsContact C-N 3.27Å; K109-K111 PolarHBondContact O-N 2.96Å; K109-T112 PolarHBondContact N-O 2.91Å; K109-T112 PolarHBondContact O-N 3.05Å; K109-T112 PolarHBondContact O-OG1 3.44Å; K109-E149 PolarHBondContact NZ-O 3.01Å; K109-S151 WeakPolarHBondContact CE-OG 3.21Å; K109-S151 WeakPolarHBondContact CG-O 3.45Å; K109-S151 PolarHBondContact NZ-OG 2.86Å
110D90.6Very high83.5Confident74 Ų7435.3 Ų35.340%0.39617%0.172SC..THydrogen-bonded Turntrans50.843.8179.5-50.6-52.2000113T112 S151 G152D110-T112 PolarHBondContact O-N 3.3Å; D110-S151 PolarHBondContact N-O 3.18Å; D110-S151 VanDerWaalsContact OD1-O 3.14Å; D110-S151 PolarHBondContact OD1-OG 3.02Å; D110-S151 PolarHBondContact OD2-OG 3.33Å; D110-G152 WeakPolarHBondContact OD1-CA 3.33Å; D110-G152 PolarHBondContact OD1-N 2.85Å
111K91.4Very high82.4Confident95 Ų9536 Ų3641%0.41318%0.184SC..THydrogen-bonded Turntrans62.55.2-175.4-51.9173.2-172.1-1750115.1K109 E153 N158 C188K109-K111 VanDerWaalsContact C-N 3.27Å; K109-K111 PolarHBondContact O-N 2.96Å; K111-E153 WeakPolarHBondContact CE-OE2 3.14Å; K111-E153 HydrophobicContact CG-CB 4.21Å; K111-E153 PolarHBondContact N-O 3.38Å; K111-E153 IonicContact NZ-OE2 3.64Å; K111-E153 PolarHBondContact NZ-OE2 3.18Å; K111-N158 PolarHBondContact O-ND2 2.85Å; K111-C188 HydrophobicContact CD-CB 4.2Å; K111-C188 HydrophobicContact CG-CB 4.28Å
112T91.2Very high80.9Confident73 Ų7340.4 Ų40.445%0.44820%0.203SC..EExtended strand (participates in β ladder)trans-112.4154.4-179.766.70000111.4V108 K109 D110V108-T112 WeakPolarHBondContact CA-O 3.02Å; K109-T112 PolarHBondContact N-O 2.91Å; K109-T112 PolarHBondContact O-N 3.05Å; K109-T112 PolarHBondContact O-OG1 3.44Å; D110-T112 PolarHBondContact O-N 3.3Å
113V91.9Very high78.7Confident24 Ų2442.4 Ų42.415%0.14522%0.217CC..EExtended strand (participates in β ladder)trans-109.7123.6-179.4-172.60000109.4L106 V108 N158 M162L106-V113 HydrophobicContact CB-CG1 4.02Å; L106-V113 HydrophobicContact CD1-CG1 4.1Å; L106-V113 HydrophobicContact CG-CG1 4.45Å; V108-V113 HydrophobicContact CG2-CG2 4.31Å; V113-N158 VanDerWaalsContact CG2-C 3.41Å; V113-N158 HydrophobicContact CG2-CB 3.82Å; V113-N158 WeakPolarHBondContact CG2-O 3.22Å; V113-M162 HydrophobicContact CB-CB 4.35Å; V113-M162 HydrophobicContact CB-CG 4.48Å; V113-M162 HydrophobicContact CG1-CB 4.03Å; V113-M162 HydrophobicContact CG1-CG 3.91Å
114K88.1Confident76.4Confident116 Ų11651 Ų5150%0.50425%0.254SS..EExtended strand (participates in β ladder)trans-105.8128.7175.1-67.9-179.2177.7176.90109.2L106 G107 L116L106-K114 CarbonylContact C-O 3.59Å; L106-K114 WeakPolarHBondContact CA-O 3.34Å; G107-K114 PolarHBondContact N-O 3.49Å; G107-K114 PolarHBondContact O-N 3.42Å; K114-L116 HydrophobicContact CB-CD2 4.23Å; K114-L116 PolarHBondContact O-N 3.41Å
115K85.8Confident73.5Confident100 Ų10062.3 Ų62.344%0.43530%0.297SS..EExtended strand (participates in β ladder)trans-77.3108.7171.6-62.2179.1-176.4176.30108.1L106 M162 L166L106-K115 HydrophobicContact CD2-CB 4.14Å; L106-K115 HydrophobicContact CD2-CG 3.73Å; K115-M162 HydrophobicContact CD-SD 4.42Å; K115-M162 WeakPolarHBondContact CE-SD 3.47Å; K115-M162 HydrophobicContact CG-SD 4.5Å; K115-L166 HydrophobicContact CD-CD2 4.46Å
116L81.6Confident70.8Confident33 Ų3368.8 Ų68.817%0.17333%0.332CS..SBendtrans-83.1-37.6179-55-170.6000110.6M54 L105 K114 H145M54-L116 HydrophobicContact SD-CD1 4.32Å; L105-L116 HydrophobicContact CB-CB 4.23Å; L105-L116 HydrophobicContact CD2-CB 3.88Å; L105-L116 HydrophobicContact CD2-CD1 3.75Å; L105-L116 HydrophobicContact CD2-CG 4.39Å; L105-L116 HydrophobicContact CG-CB 4Å; L105-L116 HydrophobicContact CG-CD1 3.97Å; L105-L116 HydrophobicContact CG-CG 4.37Å; L105-L116 WeakPolarHBondContact O-CA 3.45Å; L105-L116 WeakPolarHBondContact O-CB 3.23Å; L105-L116 PolarHBondContact O-N 3.37Å; K114-L116 HydrophobicContact CB-CD2 4.23Å; K114-L116 PolarHBondContact O-N 3.41Å; L116-H145 VanDerWaalsContact CD2-CE1 3.46Å; L116-H145 WeakPolarHBondContact CD2-CE1 3.34Å; L116-H145 WeakPolarHBondContact CD2-NE2 3.49Å
117T80Confident68Low17 Ų1773.9 Ų73.910%0.10436%0.363CS..SBendtrans-134.5156.6170.765.40000110.7C104 L105 Q138 A141C104-T117 PolarHBondContact SG-O 3.27Å; L105-T117 HydrophobicContact CB-CG2 4.31Å; L105-T117 WeakPolarHBondContact CB-OG1 3.38Å; L105-T117 PolarHBondContact N-OG1 3Å; L105-T117 PolarHBondContact O-N 2.95Å; L105-T117 VanDerWaalsContact O-N 3.09Å; T117-Q138 VanDerWaalsContact OG1-CD 3.28Å; T117-Q138 PolarHBondContact OG1-NE2 2.79Å; T117-Q138 PolarHBondContact OG1-OE1 2.99Å; T117-A141 HydrophobicContact CG2-CB 3.47Å; T117-A141 VanDerWaalsContact CG2-CB 3.47Å
118E76.3Confident65Low98 Ų9883.2 Ų83.246%0.45840%0.404SS..  trans-103.7154.3175.3-66.3-169.6159.600111.3
119F73.1Confident62Low10 Ų1089 Ų894%0.04443%0.431CS..  trans-58.7143.1164.4-73.8-65.7000110.6Q47 C49 Q102 C104 G121 K122 L166 L167Q47-F119 HydrophobicContact CB-CE1 4.21Å; Q47-F119 HydrophobicContact CB-CZ 4.47Å; C49-F119 HydrophobicContact CB-CZ 4.43Å; Q102-F119 HydrophobicContact CB-CD1 3.79Å; Q102-F119 HydrophobicContact CB-CE1 4.26Å; C104-F119 HydrophobicContact CB-CD1 3.75Å; C104-F119 HydrophobicContact CB-CD2 3.69Å; C104-F119 HydrophobicContact CB-CE1 3.52Å; C104-F119 HydrophobicContact CB-CE2 3.45Å; C104-F119 VanDerWaalsContact CB-CE2 3.45Å; C104-F119 HydrophobicContact CB-CG 3.83Å; C104-F119 HydrophobicContact CB-CZ 3.36Å; F119-G121 VanDerWaalsContact C-N 3.28Å; F119-G121 PolarHBondContact O-N 3.13Å; F119-K122 PolarHBondContact O-N 2.77Å; F119-L166 HydrophobicContact CD2-CB 4.29Å; F119-L166 HydrophobicContact CE2-CB 3.95Å; F119-L167 HydrophobicContact CE2-CD2 3.81Å; F119-L167 HydrophobicContact CE2-CG 4.49Å; F119-L167 HydrophobicContact CZ-CD2 3.65Å
120A58.8Low59.1Low2 Ų293.3 Ų93.32%0.01746%0.455CS..THydrogen-bonded Turntrans-67.575.1-174.900000112.5Q102 L132 S133Q102-A120 HydrophobicContact CG-CB 4.31Å; Q102-A120 PolarHBondContact NE2-O 3.06Å; A120-L132 VanDerWaalsContact CB-CA 3.45Å; A120-L132 HydrophobicContact CB-CB 3.59Å; A120-L132 HydrophobicContact CB-CD2 3.66Å; A120-L132 HydrophobicContact CB-CG 4.11Å; A120-S133 VanDerWaalsContact CB-N 3.31Å
121G48.3Very low56.3Low35 Ų3593 Ų9336%0.36145%0.452SS..THydrogen-bonded Turntrans169.4-32.1-169.200000114.9F119 R271F119-G121 VanDerWaalsContact C-N 3.28Å; F119-G121 PolarHBondContact O-N 3.13Å; G121-R271 VanDerWaalsContact CA-CZ 3.49Å; G121-R271 VanDerWaalsContact N-NH2 3.19Å; G121-R271 PolarHBondContact O-NH1 2.79Å
122K47.2Very low54Low95 Ų9589.7 Ų89.741%0.41344%0.439SS..  trans-100.425-166.1-71.8-173.8167.9-174.90116F119 F124 L166 D169F119-K122 PolarHBondContact O-N 2.77Å; K122-F124 PolarHBondContact O-N 3.31Å; K122-L166 PolarHBondContact NZ-O 3.09Å; K122-D169 IonicContact NZ-OD2 2.72Å; K122-D169 PolarHBondContact NZ-OD2 2.79Å
123V37.2Very low52.2Low71 Ų7186.9 Ų86.943%0.4342%0.422SS..  trans-78.4112.1177.9-179.30000110.5
124F31.6Very low50.7Low181 Ų18187.5 Ų87.579%0.79443%0.425SS*.  trans-73.2149.5168.8-154.8-98000110.6K122 N126K122-F124 PolarHBondContact O-N 3.31Å; F124-N126 PolarHBondContact O-N 3.27Å
125W26.6Very low49.5Very low238 Ų23883.7 Ų83.790%0.90241%0.412SS*.THydrogen-bonded Turntrans-65.778.4-163.3-83.982.6000116.2
126N27.8Very low48.7Very low138 Ų13884.5 Ų84.574%0.73841%0.412SS*.THydrogen-bonded Turntrans-150-20.2171.8-49.769.5000116F124F124-N126 PolarHBondContact O-N 3.27Å
127T29.6Very low48Very low106 Ų10685.8 Ų85.865%0.6542%0.416SS*.  trans-131.5118.7-172-50.50000111.6H129T127-H129 PolarHBondContact O-N 3.07Å
128F25.9Very low47.3Very low197 Ų19785.1 Ų85.186%0.86441%0.412SS*.  trans-69.253.6-177.8-158.9-97.4000112.9
129H29.3Very low46.9Very low122 Ų12282.8 Ų82.857%0.56540%0.4SS*.  trans-125.284.8173.9-104-103.7000110.9T127 L131T127-H129 PolarHBondContact O-N 3.07Å; H129-L131 PolarHBondContact O-N 2.98Å
130I28.5Very low46.8Very low135 Ų13587.4 Ų87.469%0.69242%0.422SS*.  trans-67.887.7173-58.4163.2000109.2
131L33Very low47.1Very low66 Ų6687.8 Ų87.835%0.34643%0.426SS..  trans-143.9119.7172.1-71.7168.7000109.1H129 K137H129-L131 PolarHBondContact O-N 2.98Å; L131-K137 HydrophobicContact CB-CD 3.47Å; L131-K137 VanDerWaalsContact CB-CD 3.47Å; L131-K137 HydrophobicContact CB-CG 4.16Å; L131-K137 HydrophobicContact CD1-CD 3.89Å; L131-K137 HydrophobicContact CD1-CG 3.87Å; L131-K137 HydrophobicContact CG-CD 4.22Å
132L42.1Very low48Very low27 Ų2786.2 Ų86.214%0.14141%0.409CS..  trans-58.9177164-57.8125.4000109.4A120 N134 T268A120-L132 VanDerWaalsContact CB-CA 3.45Å; A120-L132 HydrophobicContact CB-CB 3.59Å; A120-L132 HydrophobicContact CB-CD2 3.66Å; A120-L132 HydrophobicContact CB-CG 4.11Å; L132-N134 PolarHBondContact O-N 2.85Å; L132-T268 WeakPolarHBondContact CD1-OG1 3.26Å; L132-T268 WeakPolarHBondContact CD2-OG1 3.19Å
133S54.2Low49Very low13 Ų1386.8 Ų86.89%0.09141%0.411CS..SBendtrans-60.884.5165.9570000107.8F95 V103 A120F95-S133 WeakPolarHBondContact CE1-O 3.48Å; F95-S133 WeakPolarHBondContact CZ-O 3.38Å; V103-S133 WeakPolarHBondContact O-CB 3.37Å; A120-S133 VanDerWaalsContact CB-N 3.31Å
134N60.3Low50.4Low37 Ų3789.4 Ų89.420%0.19842%0.423CS..  trans-93.5132.4176.8-177.9-34.1000105.9L132 R136 K137 Q138L132-N134 PolarHBondContact O-N 2.85Å; N134-R136 PolarHBondContact O-N 3.09Å; N134-R136 WeakPolarHBondContact OD1-CB 3.41Å; N134-R136 WeakPolarHBondContact OD1-CG 3.03Å; N134-R136 PolarHBondContact OD1-N 3.12Å; N134-K137 HydrophobicContact CB-CB 4.5Å; N134-K137 PolarHBondContact O-N 3.38Å; N134-Q138 PolarHBondContact O-N 2.9Å
135P63.3Low52.1Low36 Ų3683.4 Ų83.423%0.23440%0.397CS..Hα-helixtrans-49.7-34.5175.718.8-32.4000112.1V91 F95 Q138 K139V91-P135 HydrophobicContact CG1-CB 3.86Å; F95-P135 HydrophobicContact CD2-CB 4.05Å; F95-P135 HydrophobicContact CD2-CG 4.36Å; P135-Q138 PolarHBondContact O-N 3.46Å; P135-K139 WeakPolarHBondContact O-CB 3.29Å; P135-K139 VanDerWaalsContact O-CG 3.25Å; P135-K139 WeakPolarHBondContact O-CG 3.37Å; P135-K139 PolarHBondContact O-N 2.9Å
136R67.7Low53.7Low118 Ų11873.7 Ų73.745%0.44536%0.363SS..Hα-helixtrans-60.8-48.2175.2-64.4-177.2178.8160.6-5113.2N134 K139 E140 D246N134-R136 PolarHBondContact O-N 3.09Å; N134-R136 WeakPolarHBondContact OD1-CB 3.41Å; N134-R136 WeakPolarHBondContact OD1-CG 3.03Å; N134-R136 PolarHBondContact OD1-N 3.12Å; R136-K139 CarbonylContact O-C 3.5Å; R136-K139 PolarHBondContact O-N 3.27Å; R136-E140 WeakPolarHBondContact O-CB 3.43Å; R136-E140 VanDerWaalsContact O-CG 3.29Å; R136-E140 WeakPolarHBondContact O-CG 3.14Å; R136-E140 PolarHBondContact O-N 3.29Å; R136-D246 PolarHBondContact NH2-O 2.79Å
137K66.6Low55.1Low59 Ų5977.4 Ų77.426%0.25737%0.368SS..Hα-helixtrans-65.1-40.7177.5-95.6-155.9164.6179.60112.4L131 N134 K139 E140 A141L131-K137 HydrophobicContact CB-CD 3.47Å; L131-K137 VanDerWaalsContact CB-CD 3.47Å; L131-K137 HydrophobicContact CB-CG 4.16Å; L131-K137 HydrophobicContact CD1-CD 3.89Å; L131-K137 HydrophobicContact CD1-CG 3.87Å; L131-K137 HydrophobicContact CG-CD 4.22Å; N134-K137 HydrophobicContact CB-CB 4.5Å; N134-K137 PolarHBondContact O-N 3.38Å; K137-K139 VanDerWaalsContact C-N 3.31Å; K137-E140 PolarHBondContact O-N 2.98Å; K137-A141 WeakPolarHBondContact O-CB 3.44Å; K137-A141 PolarHBondContact O-N 3.47Å
138Q66.9Low56.8Low3 Ų373.9 Ų73.91%0.01435%0.352CS..Hα-helixtrans-61.7-46.3176.5-62.7-61.6-17.300109.4V91 V103 T117 N134 P135 E140 A141 L142V91-Q138 HydrophobicContact CG1-CB 3.94Å; V91-Q138 HydrophobicContact CG1-CG 4.32Å; V91-Q138 HydrophobicContact CG2-CB 4.43Å; V103-Q138 PolarHBondContact O-NE2 2.89Å; T117-Q138 VanDerWaalsContact OG1-CD 3.28Å; T117-Q138 PolarHBondContact OG1-NE2 2.79Å; T117-Q138 PolarHBondContact OG1-OE1 2.99Å; N134-Q138 PolarHBondContact O-N 2.9Å; P135-Q138 PolarHBondContact O-N 3.46Å; Q138-E140 PolarHBondContact O-N 2.9Å; Q138-A141 PolarHBondContact O-N 3.05Å; Q138-L142 WeakPolarHBondContact O-CG 3.26Å; Q138-L142 PolarHBondContact O-N 2.84Å
139K67.6Low59.1Low49 Ų4971.9 Ų71.921%0.21335%0.346CS..Hα-helixtrans-62.8-39.5174.4-75.1173.1167.2-179.10113.5S88 D92 P135 R136 K137 L142 K143S88-K139 VanDerWaalsContact O-CE 3.29Å; S88-K139 WeakPolarHBondContact O-CE 3.38Å; D92-K139 WeakPolarHBondContact OD1-CE 3.45Å; D92-K139 IonicContact OD1-NZ 2.88Å; D92-K139 PolarHBondContact OD1-NZ 2.89Å; D92-K139 VanDerWaalsContact OD2-CE 3.29Å; D92-K139 WeakPolarHBondContact OD2-CE 3.43Å; D92-K139 IonicContact OD2-NZ 3.11Å; D92-K139 PolarHBondContact OD2-NZ 2.88Å; P135-K139 WeakPolarHBondContact O-CB 3.29Å; P135-K139 VanDerWaalsContact O-CG 3.25Å; P135-K139 WeakPolarHBondContact O-CG 3.37Å; P135-K139 PolarHBondContact O-N 2.9Å; R136-K139 CarbonylContact O-C 3.5Å; R136-K139 PolarHBondContact O-N 3.27Å; K137-K139 VanDerWaalsContact C-N 3.31Å; K139-L142 PolarHBondContact O-N 3.19Å; K139-K143 WeakPolarHBondContact O-CB 3.49Å; K139-K143 VanDerWaalsContact O-CG 3.28Å; K139-K143 WeakPolarHBondContact O-CG 3.48Å; K139-K143 PolarHBondContact O-N 3.03Å
140E69.9Low61.4Low107 Ų10766.3 Ų66.350%0.532%0.321SS..Hα-helixtrans-62-48173.8-76.6166.5-177.700110.8R136 K137 Q138 L142 K143 D144R136-E140 WeakPolarHBondContact O-CB 3.43Å; R136-E140 VanDerWaalsContact O-CG 3.29Å; R136-E140 WeakPolarHBondContact O-CG 3.14Å; R136-E140 PolarHBondContact O-N 3.29Å; K137-E140 PolarHBondContact O-N 2.98Å; Q138-E140 PolarHBondContact O-N 2.9Å; E140-L142 VanDerWaalsContact C-N 3.27Å; E140-L142 PolarHBondContact O-N 2.91Å; E140-K143 CarbonylContact O-C 3.56Å; E140-K143 WeakPolarHBondContact O-CA 3.23Å; E140-K143 WeakPolarHBondContact O-CB 3.45Å; E140-K143 PolarHBondContact O-N 2.82Å; E140-D144 PolarHBondContact O-N 2.86Å
141A66.5Low64.3Low11 Ų1161.9 Ų61.99%0.09130%0.302CS..Hα-helixtrans-60.7-36.5175.500000112.3T117 K137 Q138 H145T117-A141 HydrophobicContact CG2-CB 3.47Å; T117-A141 VanDerWaalsContact CG2-CB 3.47Å; K137-A141 WeakPolarHBondContact O-CB 3.44Å; K137-A141 PolarHBondContact O-N 3.47Å; Q138-A141 PolarHBondContact O-N 3.05Å; A141-H145 PolarHBondContact O-ND1 3.25Å
142L66.6Low67Low1 Ų160.3 Ų60.31%0.00530%0.302CS..Hα-helixtrans-66.9-39.5172.3-66.9168.6000111.7L72 V74 L87 L105 Q138 K139 E140 H145 L146L72-L142 HydrophobicContact CD2-CB 4.17Å; L72-L142 HydrophobicContact CD2-CD2 3.27Å; L72-L142 HydrophobicContact CD2-CG 4.29Å; V74-L142 HydrophobicContact CG2-CB 4.08Å; L87-L142 HydrophobicContact CB-CD1 4.39Å; L87-L142 HydrophobicContact CD2-CD1 4.37Å; L87-L142 HydrophobicContact CD2-CD2 3.74Å; L105-L142 HydrophobicContact CD1-CD2 4.28Å; L105-L142 HydrophobicContact CD2-CD2 3.47Å; L105-L142 VanDerWaalsContact CD2-CD2 3.47Å; L105-L142 HydrophobicContact CD2-CG 3.95Å; Q138-L142 WeakPolarHBondContact O-CG 3.26Å; Q138-L142 PolarHBondContact O-N 2.84Å; K139-L142 PolarHBondContact O-N 3.19Å; E140-L142 VanDerWaalsContact C-N 3.27Å; E140-L142 PolarHBondContact O-N 2.91Å; L142-H145 PolarHBondContact O-N 2.83Å; L142-L146 PolarHBondContact O-N 3.42Å; L142-L146 VanDerWaalsContact O-N 3.13Å
143K67.8Low69.4Low107 Ų10763.4 Ų63.447%0.46532%0.316SS..Hα-helixtrans-65.5-37.9176.6-76.6-179.7-175.1-1710113.3V74 K139 E140 H145 L146V74-K143 HydrophobicContact CB-CG 3.93Å; V74-K143 HydrophobicContact CG1-CD 4.19Å; V74-K143 HydrophobicContact CG1-CG 3.96Å; V74-K143 HydrophobicContact CG2-CG 3.98Å; K139-K143 WeakPolarHBondContact O-CB 3.49Å; K139-K143 VanDerWaalsContact O-CG 3.28Å; K139-K143 WeakPolarHBondContact O-CG 3.48Å; K139-K143 PolarHBondContact O-N 3.03Å; E140-K143 CarbonylContact O-C 3.56Å; E140-K143 WeakPolarHBondContact O-CA 3.23Å; E140-K143 WeakPolarHBondContact O-CB 3.45Å; E140-K143 PolarHBondContact O-N 2.82Å; K143-H145 PolarHBondContact O-N 2.55Å; K143-L146 HydrophobicContact CB-CD1 4.41Å; K143-L146 HydrophobicContact CG-CD1 4.13Å; K143-L146 VanDerWaalsContact O-CB 3.28Å; K143-L146 WeakPolarHBondContact O-CB 3.15Å; K143-L146 PolarHBondContact O-N 2.91Å; K143-L146 VanDerWaalsContact O-N 3.17Å
144D67.7Low71.2Confident126 Ų12662.8 Ų62.867%0.67431%0.312SS*.Hα-helixtrans-64.2-28.9178.9-68.6-17.4000111.8E140E140-D144 PolarHBondContact O-N 2.86Å
145H67.1Low72.9Confident55 Ų5561 Ų6126%0.25530%0.302SS..THydrogen-bonded Turntrans-96.1-4.3178.7-63.285.2000113.6M54 L72 L116 A141 L142 K143 Y147 G148M54-H145 HydrophobicContact CE-CB 3.84Å; L72-H145 HydrophobicContact CD1-CB 4.49Å; L116-H145 VanDerWaalsContact CD2-CE1 3.46Å; L116-H145 WeakPolarHBondContact CD2-CE1 3.34Å; L116-H145 WeakPolarHBondContact CD2-NE2 3.49Å; A141-H145 PolarHBondContact O-ND1 3.25Å; L142-H145 PolarHBondContact O-N 2.83Å; K143-H145 PolarHBondContact O-N 2.55Å; H145-Y147 PolarHBondContact O-N 2.85Å; H145-G148 PolarHBondContact O-N 3.34Å
146L58.5Low74.3Confident34 Ų3459.3 Ų59.318%0.17829%0.291CS..THydrogen-bonded Turntrans-61.9-26.3177.9-118.1130.9000112L69 L72 V74 L142 K143L69-L146 HydrophobicContact CD2-CD2 3.58Å; L69-L146 HydrophobicContact CD2-CG 4.23Å; L69-L146 VanDerWaalsContact CD2-O 3.25Å; L69-L146 WeakPolarHBondContact CD2-O 3.28Å; L72-L146 HydrophobicContact CB-CD1 4.4Å; L72-L146 HydrophobicContact CB-CG 4.23Å; L72-L146 HydrophobicContact CD1-CG 4.41Å; V74-L146 HydrophobicContact CB-CD1 3.85Å; V74-L146 HydrophobicContact CG2-CD1 3.71Å; L142-L146 PolarHBondContact O-N 3.42Å; L142-L146 VanDerWaalsContact O-N 3.13Å; K143-L146 HydrophobicContact CB-CD1 4.41Å; K143-L146 HydrophobicContact CG-CD1 4.13Å; K143-L146 VanDerWaalsContact O-CB 3.28Å; K143-L146 WeakPolarHBondContact O-CB 3.15Å; K143-L146 PolarHBondContact O-N 2.91Å; K143-L146 VanDerWaalsContact O-N 3.17Å
147Y57.9Low75.7Confident217 Ų21754.3 Ų54.385%0.85127%0.273SS*.THydrogen-bonded Turntrans-97.5-1176.5-58.3-75000113.7H145H145-Y147 PolarHBondContact O-N 2.85Å
148G66.4Low77Confident31 Ų3153.6 Ų53.632%0.3227%0.272SS..PPolyproline II helixtrans-79.2132177.800000111.1L68 H145L68-G148 VanDerWaalsContact CD2-O 3.24Å; L68-G148 WeakPolarHBondContact CD2-O 3.39Å; H145-G148 PolarHBondContact O-N 3.34Å
149E72.5Confident78.3Confident156 Ų15653.5 Ų53.573%0.72927%0.271SS*.PPolyproline II helixtrans-77136.1165.4-66.4-173.7166.300109.6K109K109-E149 PolarHBondContact NZ-O 3.01Å
150G79.1Confident79.7Confident4 Ų451.1 Ų51.14%0.04126%0.261CS..PPolyproline II helixtrans-62.7139.2170.500000109.9M54 S55 N59M54-G150 CarbonylContact O-C 3.56Å; M54-G150 WeakPolarHBondContact O-CA 3.46Å; S55-G150 WeakPolarHBondContact O-CA 3.44Å; N59-G150 PolarHBondContact ND2-O 3.35Å; N59-G150 PolarHBondContact OD1-N 3.35Å
151S87.9Confident80.9Confident42 Ų4250 Ų5029%0.29426%0.256SS..  trans-145.7159.6174.280.90000112.3M54 S55 K109 D110M54-S151 PolarHBondContact O-N 3.15Å; M54-S151 VanDerWaalsContact O-N 3.11Å; S55-S151 WeakPolarHBondContact CA-O 3.35Å; K109-S151 WeakPolarHBondContact CE-OG 3.21Å; K109-S151 WeakPolarHBondContact CG-O 3.45Å; K109-S151 PolarHBondContact NZ-OG 2.86Å; D110-S151 PolarHBondContact N-O 3.18Å; D110-S151 VanDerWaalsContact OD1-O 3.14Å; D110-S151 PolarHBondContact OD1-OG 3.02Å; D110-S151 PolarHBondContact OD2-OG 3.33Å
152G90.6Very high82.1Confident34 Ų3451.9 Ų51.935%0.35126%0.263SS..SBendtrans65.8-158.7-178.500000112.8S55 A56 D110S55-G152 WeakPolarHBondContact CB-O 3.34Å; A56-G152 PolarHBondContact N-O 3.39Å; D110-G152 WeakPolarHBondContact OD1-CA 3.33Å; D110-G152 PolarHBondContact OD1-N 2.85Å
153E92Very high83.4Confident92 Ų9251.9 Ų51.943%0.4326%0.263SS..  trans-110.1150.5-172.5-62.1177.4142.900110.7K111 C188K111-E153 WeakPolarHBondContact CE-OE2 3.14Å; K111-E153 HydrophobicContact CG-CB 4.21Å; K111-E153 PolarHBondContact N-O 3.38Å; K111-E153 IonicContact NZ-OE2 3.64Å; K111-E153 PolarHBondContact NZ-OE2 3.18Å; E153-C188 HydrophobicContact CB-CB 4.02Å; E153-C188 PolarHBondContact OE2-SG 3.33Å
154F93Very high84.6Confident0 Ų047.9 Ų47.90%025%0.246CC..  trans-75.7141.4174.6179-108.8000110.2D53 V108 L156 V180 V182 C188 Y219D53-F154 HydrophobicContact CB-CD2 3.81Å; D53-F154 HydrophobicContact CB-CE2 4.07Å; V108-F154 HydrophobicContact CB-CD2 3.75Å; V108-F154 HydrophobicContact CB-CE2 3.75Å; V108-F154 HydrophobicContact CG1-CD2 3.63Å; V108-F154 HydrophobicContact CG1-CE2 3.89Å; V108-F154 HydrophobicContact CG1-CG 4.49Å; V108-F154 HydrophobicContact CG2-CD2 4.37Å; V108-F154 HydrophobicContact CG2-CE2 3.86Å; F154-L156 HydrophobicContact CD1-CB 4.47Å; F154-L156 HydrophobicContact CE1-CB 3.71Å; F154-L156 HydrophobicContact CE1-CD1 4.05Å; F154-L156 HydrophobicContact CE1-CG 4.41Å; F154-L156 HydrophobicContact CZ-CB 4.32Å; F154-L156 HydrophobicContact CZ-CD1 4.04Å; F154-V180 HydrophobicContact CZ-CG1 3.86Å; F154-V182 HydrophobicContact CD1-CG1 3.95Å; F154-V182 HydrophobicContact CE1-CG1 3.91Å; F154-V182 HydrophobicContact CE1-CG2 3.86Å; F154-V182 HydrophobicContact CE2-CG2 4.34Å; F154-V182 HydrophobicContact CG-CG1 4.39Å; F154-V182 HydrophobicContact CZ-CG1 4.34Å; F154-V182 HydrophobicContact CZ-CG2 3.69Å; F154-C188 PolarHBondContact O-N 2.77Å; F154-Y219 HydrophobicContact CE1-CE1 4.43Å
155S95Very high85.8Confident0 Ų043.9 Ų43.90%023%0.229CC..  trans-126.7109.5169.51730000109.9N158 S159 C188 D189S155-N158 WeakPolarHBondContact OG-CB 3.42Å; S155-N158 PolarHBondContact OG-N 3.17Å; S155-N158 PolarHBondContact OG-ND2 3.39Å; S155-S159 WeakPolarHBondContact O-CB 3.33Å; S155-S159 PolarHBondContact O-N 2.95Å; S155-C188 WeakPolarHBondContact CB-O 3.2Å; S155-D189 WeakPolarHBondContact CA-OD1 3.44Å; S155-D189 WeakPolarHBondContact CB-OD1 3.49Å; S155-D189 PolarHBondContact OG-OD1 3.18Å
156L93.9Very high86.9Confident0 Ų042 Ų420%022%0.22CC..Hα-helixtrans-69.7-44.6176.9-173.956.1000110.7F154 N158 S159 L160 V180 S187 D189 I193 V218 Y219 V222F154-L156 HydrophobicContact CD1-CB 4.47Å; F154-L156 HydrophobicContact CE1-CB 3.71Å; F154-L156 HydrophobicContact CE1-CD1 4.05Å; F154-L156 HydrophobicContact CE1-CG 4.41Å; F154-L156 HydrophobicContact CZ-CB 4.32Å; F154-L156 HydrophobicContact CZ-CD1 4.04Å; L156-N158 PolarHBondContact O-N 2.85Å; L156-S159 WeakPolarHBondContact O-CB 3.1Å; L156-S159 PolarHBondContact O-N 3.39Å; L156-S159 VanDerWaalsContact O-N 3.14Å; L156-S159 PolarHBondContact O-OG 3Å; L156-L160 HydrophobicContact CD1-CD1 3.91Å; L156-L160 HydrophobicContact CD1-CD2 4.38Å; L156-L160 HydrophobicContact CD1-CG 3.99Å; L156-L160 HydrophobicContact CD2-CD1 4.42Å; L156-L160 HydrophobicContact CG-CD1 3.73Å; L156-L160 HydrophobicContact CG-CG 4.23Å; L156-L160 VanDerWaalsContact O-CG 3.31Å; L156-L160 WeakPolarHBondContact O-CG 3.37Å; L156-L160 PolarHBondContact O-N 2.85Å; L156-V180 HydrophobicContact CD1-CG1 4.29Å; L156-S187 VanDerWaalsContact CB-OG 3.26Å; L156-S187 WeakPolarHBondContact CB-OG 3.48Å; L156-S187 PolarHBondContact N-OG 3.02Å; L156-D189 PolarHBondContact N-OD1 2.92Å; L156-I193 HydrophobicContact CB-CD1 4.06Å; L156-I193 HydrophobicContact CD2-CD1 3.61Å; L156-I193 HydrophobicContact CG-CD1 3.82Å; L156-V218 HydrophobicContact CD2-CG1 4.4Å; L156-Y219 HydrophobicContact CD2-CD1 3.61Å; L156-Y219 HydrophobicContact CD2-CE1 3.8Å; L156-V222 HydrophobicContact CD2-CG2 4.12Å
157Q95.6Very high88.4Confident13 Ų1340.4 Ų40.46%0.06121%0.212CC..Hα-helixtrans-56.2-54.8-179.3177.8178.2-4.400110.9S159 L160 E161 D189 G191Q157-S159 PolarHBondContact O-N 2.89Å; Q157-L160 PolarHBondContact O-N 3.1Å; Q157-L160 VanDerWaalsContact O-N 3.1Å; Q157-E161 HydrophobicContact CG-CG 4.28Å; Q157-E161 WeakPolarHBondContact CG-OE1 3.38Å; Q157-E161 PolarHBondContact NE2-OE1 3.35Å; Q157-E161 WeakPolarHBondContact O-CG 3.41Å; Q157-E161 PolarHBondContact O-N 2.87Å; Q157-D189 HydrophobicContact CB-CB 3.65Å; Q157-D189 VanDerWaalsContact CB-CG 3.42Å; Q157-D189 VanDerWaalsContact CB-OD1 3.28Å; Q157-D189 WeakPolarHBondContact CB-OD1 3.3Å; Q157-D189 PolarHBondContact N-OD1 3.37Å; Q157-G191 PolarHBondContact OE1-O 2.9Å
158N95.2Very high89.8Confident44 Ų4435.3 Ų35.324%0.23519%0.194CC..Hα-helixtrans-60.5-35.9-178.6-68.7-18.9000111.1K111 V113 S155 L156 M162K111-N158 PolarHBondContact O-ND2 2.85Å; V113-N158 VanDerWaalsContact CG2-C 3.41Å; V113-N158 HydrophobicContact CG2-CB 3.82Å; V113-N158 WeakPolarHBondContact CG2-O 3.22Å; S155-N158 WeakPolarHBondContact OG-CB 3.42Å; S155-N158 PolarHBondContact OG-N 3.17Å; S155-N158 PolarHBondContact OG-ND2 3.39Å; L156-N158 PolarHBondContact O-N 2.85Å; N158-M162 VanDerWaalsContact O-CB 3.29Å; N158-M162 WeakPolarHBondContact O-CB 3.5Å; N158-M162 PolarHBondContact O-N 2.8Å
159S94.1Very high90.7Very high0 Ų038.8 Ų38.80%021%0.205CC..Hα-helixtrans-65.8-41.3177.4820000112.9S155 L156 Q157 T163S155-S159 WeakPolarHBondContact O-CB 3.33Å; S155-S159 PolarHBondContact O-N 2.95Å; L156-S159 WeakPolarHBondContact O-CB 3.1Å; L156-S159 PolarHBondContact O-N 3.39Å; L156-S159 VanDerWaalsContact O-N 3.14Å; L156-S159 PolarHBondContact O-OG 3Å; Q157-S159 PolarHBondContact O-N 2.89Å; S159-T163 WeakPolarHBondContact O-CB 3.49Å; S159-T163 PolarHBondContact O-N 3.24Å; S159-T163 PolarHBondContact O-OG1 3.05Å
160L95.4Very high91.1Very high0 Ų031.8 Ų31.80%017%0.173CC..Hα-helixtrans-73.6-42.2179.1-65.8173.4000111L156 Q157 M162 T163 I164 T196 L200 V222L156-L160 HydrophobicContact CD1-CD1 3.91Å; L156-L160 HydrophobicContact CD1-CD2 4.38Å; L156-L160 HydrophobicContact CD1-CG 3.99Å; L156-L160 HydrophobicContact CD2-CD1 4.42Å; L156-L160 HydrophobicContact CG-CD1 3.73Å; L156-L160 HydrophobicContact CG-CG 4.23Å; L156-L160 VanDerWaalsContact O-CG 3.31Å; L156-L160 WeakPolarHBondContact O-CG 3.37Å; L156-L160 PolarHBondContact O-N 2.85Å; Q157-L160 PolarHBondContact O-N 3.1Å; Q157-L160 VanDerWaalsContact O-N 3.1Å; L160-M162 VanDerWaalsContact C-N 3.35Å; L160-M162 PolarHBondContact O-N 2.91Å; L160-T163 CarbonylContact O-C 3.55Å; L160-T163 WeakPolarHBondContact O-CA 3.38Å; L160-T163 WeakPolarHBondContact O-CB 3.45Å; L160-T163 PolarHBondContact O-N 3.09Å; L160-T163 VanDerWaalsContact O-N 3.08Å; L160-I164 VanDerWaalsContact O-CG1 3.3Å; L160-I164 WeakPolarHBondContact O-CG1 3.41Å; L160-I164 PolarHBondContact O-N 2.79Å; L160-T196 HydrophobicContact CB-CG2 3.73Å; L160-T196 HydrophobicContact CD1-CG2 4.46Å; L160-L200 HydrophobicContact CB-CD1 4.23Å; L160-L200 HydrophobicContact CD1-CD1 3.86Å; L160-L200 HydrophobicContact CD2-CD1 3.98Å; L160-L200 HydrophobicContact CG-CD1 4.22Å; L160-V222 HydrophobicContact CD1-CG1 4.08Å
161E95Very high91.1Very high84 Ų8434.6 Ų34.639%0.39319%0.191SC..Hα-helixtrans-59.8-44.2174-72.5-179.8-178.800112Q157 T163 I164 S165 T196Q157-E161 HydrophobicContact CG-CG 4.28Å; Q157-E161 WeakPolarHBondContact CG-OE1 3.38Å; Q157-E161 PolarHBondContact NE2-OE1 3.35Å; Q157-E161 WeakPolarHBondContact O-CG 3.41Å; Q157-E161 PolarHBondContact O-N 2.87Å; E161-T163 VanDerWaalsContact C-N 3.27Å; E161-T163 PolarHBondContact O-N 3.14Å; E161-I164 PolarHBondContact O-N 3.32Å; E161-S165 PolarHBondContact O-N 3.31Å; E161-T196 HydrophobicContact CG-CG2 4.01Å
162M93.2Very high90.6Very high50 Ų5036.1 Ų36.125%0.24620%0.201CC..Hα-helixtrans-59-43.1173.2-177.158.37000110.8L106 V113 K115 N158 L160 S165 L166L106-M162 HydrophobicContact CD1-CB 4.33Å; L106-M162 HydrophobicContact CD1-CG 3.88Å; L106-M162 HydrophobicContact CD2-CG 4.43Å; V113-M162 HydrophobicContact CB-CB 4.35Å; V113-M162 HydrophobicContact CB-CG 4.48Å; V113-M162 HydrophobicContact CG1-CB 4.03Å; V113-M162 HydrophobicContact CG1-CG 3.91Å; K115-M162 HydrophobicContact CD-SD 4.42Å; K115-M162 WeakPolarHBondContact CE-SD 3.47Å; K115-M162 HydrophobicContact CG-SD 4.5Å; N158-M162 VanDerWaalsContact O-CB 3.29Å; N158-M162 WeakPolarHBondContact O-CB 3.5Å; N158-M162 PolarHBondContact O-N 2.8Å; L160-M162 VanDerWaalsContact C-N 3.35Å; L160-M162 PolarHBondContact O-N 2.91Å; M162-S165 WeakPolarHBondContact O-CB 3.36Å; M162-S165 PolarHBondContact O-N 2.96Å; M162-S165 PolarHBondContact O-OG 3.3Å; M162-L166 HydrophobicContact CG-CD1 4.34Å; M162-L166 WeakPolarHBondContact O-CG 3.39Å; M162-L166 PolarHBondContact O-N 2.85Å; M162-L166 VanDerWaalsContact O-N 3.13Å
163T92.9Very high89.7Confident0 Ų037.9 Ų37.90%020%0.201CC..Hα-helixtrans-66.4-42179.9-57.30000112.4C49 S159 L160 E161 S165 L166 L167 V178C49-T163 HydrophobicContact CB-CG2 3.52Å; S159-T163 WeakPolarHBondContact O-CB 3.49Å; S159-T163 PolarHBondContact O-N 3.24Å; S159-T163 PolarHBondContact O-OG1 3.05Å; L160-T163 CarbonylContact O-C 3.55Å; L160-T163 WeakPolarHBondContact O-CA 3.38Å; L160-T163 WeakPolarHBondContact O-CB 3.45Å; L160-T163 PolarHBondContact O-N 3.09Å; L160-T163 VanDerWaalsContact O-N 3.08Å; E161-T163 VanDerWaalsContact C-N 3.27Å; E161-T163 PolarHBondContact O-N 3.14Å; T163-S165 VanDerWaalsContact C-N 3.29Å; T163-S165 PolarHBondContact O-N 2.89Å; T163-L166 PolarHBondContact O-N 2.84Å; T163-L166 VanDerWaalsContact O-N 3.12Å; T163-L167 HydrophobicContact CG2-CD1 3.57Å; T163-L167 HydrophobicContact CG2-CG 4.2Å; T163-L167 WeakPolarHBondContact O-CB 3.46Å; T163-L167 PolarHBondContact O-N 2.87Å; T163-V178 HydrophobicContact CG2-CB 4.26Å; T163-V178 HydrophobicContact CG2-CG1 4.05Å; T163-V178 HydrophobicContact CG2-CG2 3.27Å
164I93.9Very high89Confident23 Ų2334.1 Ų34.112%0.11818%0.184CC..Hα-helixtrans-56.4-46.6171.6-66.8163.5000109.7L160 E161 L166 L167 K168 T196 L200 I205L160-I164 VanDerWaalsContact O-CG1 3.3Å; L160-I164 WeakPolarHBondContact O-CG1 3.41Å; L160-I164 PolarHBondContact O-N 2.79Å; E161-I164 PolarHBondContact O-N 3.32Å; I164-L166 PolarHBondContact O-N 2.73Å; I164-L167 PolarHBondContact O-N 2.97Å; I164-K168 VanDerWaalsContact O-CB 3.23Å; I164-K168 WeakPolarHBondContact O-CB 3.38Å; I164-K168 WeakPolarHBondContact O-CG 3.3Å; I164-K168 PolarHBondContact O-N 2.96Å; I164-T196 HydrophobicContact CD1-CG2 4.22Å; I164-L200 HydrophobicContact CD1-CD2 3.92Å; I164-L200 HydrophobicContact CD1-CG 4.04Å; I164-L200 HydrophobicContact CG1-CD2 3.58Å; I164-L200 HydrophobicContact CG1-CG 4.25Å; I164-I205 HydrophobicContact CB-CD1 4.38Å; I164-I205 HydrophobicContact CG1-CD1 3.94Å
165S92.6Very high88.5Confident43 Ų4336.2 Ų36.230%0.30120%0.195SC..Hα-helixtrans-60.1-31.4179.486.50000113.3E161 M162 T163 K168E161-S165 PolarHBondContact O-N 3.31Å; M162-S165 WeakPolarHBondContact O-CB 3.36Å; M162-S165 PolarHBondContact O-N 2.96Å; M162-S165 PolarHBondContact O-OG 3.3Å; T163-S165 VanDerWaalsContact C-N 3.29Å; T163-S165 PolarHBondContact O-N 2.89Å; S165-K168 WeakPolarHBondContact O-CE 3.23Å
166L90.2Very high88.2Confident15 Ų1538 Ų388%0.07920%0.201CC..Hα-helixtrans-81.5-41.6180-69.6171000112.3L106 K115 F119 K122 M162 T163 I164L106-L166 HydrophobicContact CD1-CD1 4.18Å; L106-L166 HydrophobicContact CD2-CD1 3.99Å; K115-L166 HydrophobicContact CD-CD2 4.46Å; F119-L166 HydrophobicContact CD2-CB 4.29Å; F119-L166 HydrophobicContact CE2-CB 3.95Å; K122-L166 PolarHBondContact NZ-O 3.09Å; M162-L166 HydrophobicContact CG-CD1 4.34Å; M162-L166 WeakPolarHBondContact O-CG 3.39Å; M162-L166 PolarHBondContact O-N 2.85Å; M162-L166 VanDerWaalsContact O-N 3.13Å; T163-L166 PolarHBondContact O-N 2.84Å; T163-L166 VanDerWaalsContact O-N 3.12Å; I164-L166 PolarHBondContact O-N 2.73Å
167L90Very high87.8Confident0 Ų039 Ų390%021%0.206CC..Hα-helixtrans-92.2-13.4-172.9-65.8177.3000114.6Q47 C49 F119 T163 I164 D169 T170 R176 V178 I205Q47-L167 HydrophobicContact CB-CD2 3.81Å; C49-L167 HydrophobicContact CB-CD1 4.45Å; F119-L167 HydrophobicContact CE2-CD2 3.81Å; F119-L167 HydrophobicContact CE2-CG 4.49Å; F119-L167 HydrophobicContact CZ-CD2 3.65Å; T163-L167 HydrophobicContact CG2-CD1 3.57Å; T163-L167 HydrophobicContact CG2-CG 4.2Å; T163-L167 WeakPolarHBondContact O-CB 3.46Å; T163-L167 PolarHBondContact O-N 2.87Å; I164-L167 PolarHBondContact O-N 2.97Å; L167-D169 VanDerWaalsContact C-N 3.29Å; L167-D169 PolarHBondContact O-N 2.85Å; L167-T170 WeakPolarHBondContact CA-OG1 3.28Å; L167-T170 WeakPolarHBondContact O-CB 3.49Å; L167-T170 PolarHBondContact O-N 2.86Å; L167-T170 VanDerWaalsContact O-N 3.15Å; L167-T170 PolarHBondContact O-OG1 3.21Å; L167-R176 HydrophobicContact CB-CB 4.46Å; L167-R176 HydrophobicContact CB-CG 4.47Å; L167-R176 HydrophobicContact CD1-CB 4.17Å; L167-R176 PolarHBondContact O-NE 3.45Å; L167-V178 HydrophobicContact CD1-CG2 4.29Å; L167-I205 HydrophobicContact CB-CD1 4.04Å; L167-I205 HydrophobicContact CD1-CD1 4.34Å; L167-I205 HydrophobicContact CD1-CG1 4.47Å; L167-I205 HydrophobicContact CD1-CG2 4.15Å
168K87.4Confident87.5Confident110 Ų11038.4 Ų38.448%0.47820%0.203SC..THydrogen-bonded Turntrans-59.1-39179.664.6-179.1-175.5176.10112.9I164 S165 T170 R176I164-K168 VanDerWaalsContact O-CB 3.23Å; I164-K168 WeakPolarHBondContact O-CB 3.38Å; I164-K168 WeakPolarHBondContact O-CG 3.3Å; I164-K168 PolarHBondContact O-N 2.96Å; S165-K168 WeakPolarHBondContact O-CE 3.23Å; K168-T170 PolarHBondContact O-N 2.89Å; K168-R176 PolarHBondContact O-NH2 2.76Å
169D84.8Confident87Confident104 Ų10437.5 Ų37.556%0.55620%0.199SC*.THydrogen-bonded Turntrans-79.7-5.7-177.6-50.6-43.7000112.6K122 L167K122-D169 IonicContact NZ-OD2 2.72Å; K122-D169 PolarHBondContact NZ-OD2 2.79Å; L167-D169 VanDerWaalsContact C-N 3.29Å; L167-D169 PolarHBondContact O-N 2.85Å
170T81.1Confident86.6Confident9 Ų937.5 Ų37.56%0.05520%0.199CC..SBendtrans-66.5135.7-177.4-57.80000110.3Q47 L167 K168 C174 R176Q47-T170 HydrophobicContact CB-CG2 4.49Å; Q47-T170 HydrophobicContact CG-CG2 4.05Å; Q47-T170 VanDerWaalsContact OE1-CB 3.3Å; Q47-T170 PolarHBondContact OE1-OG1 3Å; L167-T170 WeakPolarHBondContact CA-OG1 3.28Å; L167-T170 WeakPolarHBondContact O-CB 3.49Å; L167-T170 PolarHBondContact O-N 2.86Å; L167-T170 VanDerWaalsContact O-N 3.15Å; L167-T170 PolarHBondContact O-OG1 3.21Å; K168-T170 PolarHBondContact O-N 2.89Å; T170-C174 HydrophobicContact CG2-CB 3.53Å; T170-R176 HydrophobicContact CG2-CG 4.26Å; T170-R176 PolarHBondContact O-NH2 3.13Å
171P79.7Confident86Confident63 Ų6337.7 Ų37.741%0.40920%0.2SC..  trans-54.3144.7176.9-2735.1000113.2H173 C174P171-H173 WeakPolarHBondContact CB-CE1 3.26Å; P171-H173 WeakPolarHBondContact CB-ND1 3.2Å; P171-H173 PolarHBondContact O-N 3.12Å; P171-C174 PolarHBondContact O-N 2.65Å
172S77.4Confident85.5Confident74 Ų7433.7 Ų33.752%0.51718%0.181SC..THydrogen-bonded Turntrans-64.3-10.2-174.866.40000115.6
173H71.9Confident84.9Confident72 Ų7231.3 Ų31.333%0.33317%0.169SC..THydrogen-bonded Turntrans-90.9-13.1177.659-97.1000112.7M45 P171M45-H173 WeakPolarHBondContact CE-CD2 3.33Å; M45-H173 WeakPolarHBondContact CE-NE2 3.34Å; P171-H173 WeakPolarHBondContact CB-CE1 3.26Å; P171-H173 WeakPolarHBondContact CB-ND1 3.2Å; P171-H173 PolarHBondContact O-N 3.12Å
174C77.3Confident84.6Confident13 Ų1332.3 Ų32.39%0.08818%0.176CC..SBendtrans-84.3145172.6-54.80000109.8M45 Q47 T170 P171M45-C174 HydrophobicContact CB-CB 4.44Å; M45-C174 CarbonylContact O-C 3.58Å; M45-C174 WeakPolarHBondContact O-CA 3.33Å; M45-C174 WeakPolarHBondContact O-CB 3.14Å; Q47-C174 HydrophobicContact CG-CB 4.48Å; T170-C174 HydrophobicContact CG2-CB 3.53Å; P171-C174 PolarHBondContact O-N 2.65Å
175I82.1Confident84.2Confident43 Ų4336.6 Ų36.622%0.22120%0.199CC..EExtended strand (participates in β ladder)trans-79.9130.8168.2-52.4-179.3000107.5Q44 M45 R46 Q47 E177 I206Q44-I175 HydrophobicContact CB-CD1 3.92Å; Q44-I175 HydrophobicContact CB-CG1 4.42Å; Q44-I175 HydrophobicContact CG-CD1 4.26Å; Q44-I175 VanDerWaalsContact OE1-CD1 3.23Å; M45-I175 PolarHBondContact O-N 3.45Å; R46-I175 HydrophobicContact CG-CB 4.43Å; Q47-I175 PolarHBondContact N-O 3.29Å; I175-E177 HydrophobicContact CB-CG 4.49Å; I175-E177 HydrophobicContact CG2-CG 3.59Å; I175-I206 HydrophobicContact CG2-CD1 4.21Å
176R88.5Confident83.9Confident37 Ų3736 Ų3614%0.1420%0.199CC..EExtended strand (participates in β ladder)trans-103.7112.9-179.9-59.3169.6-176.1-171.5-11.9107.4L167 K168 T170 N203 I205 I206L167-R176 HydrophobicContact CB-CB 4.46Å; L167-R176 HydrophobicContact CB-CG 4.47Å; L167-R176 HydrophobicContact CD1-CB 4.17Å; L167-R176 PolarHBondContact O-NE 3.45Å; K168-R176 PolarHBondContact O-NH2 2.76Å; T170-R176 HydrophobicContact CG2-CG 4.26Å; T170-R176 PolarHBondContact O-NH2 3.13Å; R176-N203 PolarHBondContact NH1-O 3.24Å; R176-I205 HydrophobicContact CB-CB 4.48Å; R176-I205 HydrophobicContact CB-CG1 3.93Å; R176-I206 PolarHBondContact O-N 3.45Å
177E85.9Confident83.9Confident22 Ų2236.8 Ų36.810%0.10321%0.206CC..EExtended strand (participates in β ladder)trans-128.2145.3-173.4-58.1-179.8147.900110.3R46 Q47 V48 C49 I175 I206R46-E177 IonicContact CZ-OE1 2.82Å; R46-E177 IonicContact CZ-OE2 2.52Å; R46-E177 IonicContact NE-OE1 3.96Å; R46-E177 IonicContact NE-OE2 3.2Å; R46-E177 PolarHBondContact NE-OE2 3.12Å; R46-E177 IonicContact NH2-OE1 3.71Å; R46-E177 IonicContact NH2-OE2 2.69Å; R46-E177 PolarHBondContact NH2-OE2 2.93Å; Q47-E177 PolarHBondContact O-N 2.81Å; V48-E177 CarbonylContact C-O 3.59Å; V48-E177 WeakPolarHBondContact CA-O 2.89Å; V48-E177 HydrophobicContact CG2-CB 4.27Å; V48-E177 WeakPolarHBondContact CG2-OE2 3.18Å; C49-E177 PolarHBondContact N-O 2.89Å; I175-E177 HydrophobicContact CB-CG 4.49Å; I175-E177 HydrophobicContact CG2-CG 3.59Å; E177-I206 CarbonylContact C-O 3.58Å; E177-I206 WeakPolarHBondContact CA-O 3.48Å
178V88.7Confident84.1Confident0 Ų038.9 Ų38.90%022%0.22CC..EExtended strand (participates in β ladder)trans-122.4134.3171.1-165.60000107.1C49 V51 T163 L167 V180 I205 I206 N208C49-V178 HydrophobicContact CB-CG1 4.42Å; C49-V178 CarbonylContact O-C 3.59Å; C49-V178 WeakPolarHBondContact O-CA 3.43Å; V51-V178 HydrophobicContact CG2-CG1 3.8Å; T163-V178 HydrophobicContact CG2-CB 4.26Å; T163-V178 HydrophobicContact CG2-CG1 4.05Å; T163-V178 HydrophobicContact CG2-CG2 3.27Å; L167-V178 HydrophobicContact CD1-CG2 4.29Å; V178-V180 HydrophobicContact CG1-CG2 3.81Å; V178-I205 HydrophobicContact CG2-CG2 3.39Å; V178-I206 PolarHBondContact N-O 3.32Å; V178-N208 PolarHBondContact O-N 3.35Å
179L85.5Confident84.3Confident26 Ų2635.7 Ų35.714%0.13621%0.208CC..EExtended strand (participates in β ladder)trans-120.9108.8169.7178.364.7000107.5C49 L50 V51 F90 N208 V210C49-L179 PolarHBondContact O-N 3.41Å; L50-L179 WeakPolarHBondContact CA-O 3.27Å; L50-L179 HydrophobicContact CD2-CB 3.76Å; L50-L179 HydrophobicContact CD2-CD2 3.71Å; L50-L179 HydrophobicContact CD2-CG 4.14Å; V51-L179 PolarHBondContact N-O 2.84Å; F90-L179 HydrophobicContact CE1-CD2 4.35Å; F90-L179 HydrophobicContact CE2-CD2 4.35Å; F90-L179 HydrophobicContact CZ-CD2 4.02Å; L179-N208 CarbonylContact C-O 3.57Å; L179-N208 VanDerWaalsContact CA-O 3.3Å; L179-N208 WeakPolarHBondContact CA-O 3.46Å; L179-N208 HydrophobicContact CD1-CB 3.85Å; L179-V210 HydrophobicContact CD1-CG2 3.83Å
180V85.6Confident84.7Confident0 Ų035.5 Ų35.50%021%0.213CC..EExtended strand (participates in β ladder)trans-99.9118.6-179.2-165.20000109V51 F154 L156 V178 V182 N208 L209 V210V51-V180 HydrophobicContact CB-CB 4.25Å; V51-V180 HydrophobicContact CB-CG1 3.93Å; V51-V180 HydrophobicContact CB-CG2 4.13Å; V51-V180 HydrophobicContact CG1-CG1 3.88Å; V51-V180 HydrophobicContact CG2-CG2 4.39Å; V51-V180 CarbonylContact O-C 3.55Å; V51-V180 WeakPolarHBondContact O-CA 3.01Å; F154-V180 HydrophobicContact CZ-CG1 3.86Å; L156-V180 HydrophobicContact CD1-CG1 4.29Å; V178-V180 HydrophobicContact CG1-CG2 3.81Å; V180-V182 HydrophobicContact CB-CG2 4.2Å; V180-V182 HydrophobicContact CG1-CG2 3.31Å; V180-N208 PolarHBondContact N-O 2.71Å; V180-L209 HydrophobicContact CB-CD2 4.41Å; V180-L209 HydrophobicContact CB-CG 4.1Å; V180-L209 HydrophobicContact CG2-CG 4.35Å; V180-L209 CarbonylContact O-C 3.59Å; V180-L209 WeakPolarHBondContact O-CA 3.41Å; V180-V210 PolarHBondContact O-N 2.89Å
181V82.2Confident85.2Confident4 Ų437 Ų372%0.02423%0.231CC..EExtended strand (participates in β ladder)trans-99.4111.4172.2-174.10000108.2V51 L52 D53 T71 I85 V210V51-V181 PolarHBondContact O-N 3.45Å; L52-V181 HydrophobicContact CD1-CB 4.32Å; D53-V181 VanDerWaalsContact CB-O 3.26Å; D53-V181 WeakPolarHBondContact CB-O 3.35Å; D53-V181 PolarHBondContact N-O 3.14Å; T71-V181 HydrophobicContact CG2-CB 4.41Å; T71-V181 HydrophobicContact CG2-CG1 3.7Å; I85-V181 HydrophobicContact CD1-CG1 3.96Å; V181-V210 WeakPolarHBondContact CA-O 3.45Å; V181-V210 HydrophobicContact CG2-CB 4.42Å
182V84.1Confident85.8Confident0 Ų038.5 Ų38.50%024%0.235CC..EExtended strand (participates in β ladder)trans-120.4128.3-171.8-170.60000111.1D53 F154 V180 S184 V210 V211 L212 Y219D53-V182 HydrophobicContact CB-CG1 4.44Å; F154-V182 HydrophobicContact CD1-CG1 3.95Å; F154-V182 HydrophobicContact CE1-CG1 3.91Å; F154-V182 HydrophobicContact CE1-CG2 3.86Å; F154-V182 HydrophobicContact CE2-CG2 4.34Å; F154-V182 HydrophobicContact CG-CG1 4.39Å; F154-V182 HydrophobicContact CZ-CG1 4.34Å; F154-V182 HydrophobicContact CZ-CG2 3.69Å; V180-V182 HydrophobicContact CB-CG2 4.2Å; V180-V182 HydrophobicContact CG1-CG2 3.31Å; V182-S184 WeakPolarHBondContact CG1-O 3.28Å; V182-V210 PolarHBondContact N-O 2.94Å; V182-V211 WeakPolarHBondContact O-CA 3.3Å; V182-L212 PolarHBondContact O-N 2.8Å; V182-Y219 HydrophobicContact CB-CE2 4.26Å; V182-Y219 HydrophobicContact CG1-CE2 3.74Å; V182-Y219 WeakPolarHBondContact CG1-OH 3.29Å
183G81.1Confident86.5Confident0 Ų036 Ų360%022%0.215CC..  trans-99.5-27169.900000112.9D53 R67 S213D53-G183 PolarHBondContact OD2-N 3.07Å; R67-G183 PolarHBondContact NH1-O 2.66Å; G183-S213 WeakPolarHBondContact O-CB 3.41Å; G183-S213 PolarHBondContact O-OG 3.39Å
184S87.4Confident87.5Confident20 Ų2034.4 Ų34.414%0.1421%0.211CC..  trans-67.7132.6179.9-174.60000113.1D53 V182 G186 Y219D53-S184 WeakPolarHBondContact OD2-CB 3.3Å; D53-S184 PolarHBondContact OD2-N 3Å; V182-S184 WeakPolarHBondContact CG1-O 3.28Å; S184-G186 WeakPolarHBondContact CB-O 3.41Å; S184-G186 PolarHBondContact O-N 3.34Å; S184-G186 PolarHBondContact OG-N 3.3Å; S184-G186 PolarHBondContact OG-O 2.98Å; S184-Y219 WeakPolarHBondContact O-CE2 3.34Å; S184-Y219 PolarHBondContact O-OH 2.9Å
185L84.9Confident88.3Confident113 Ų11337.3 Ų37.359%0.59223%0.229SC*.SBendtrans-70.5-4.9172.9-74.4171.7000113.9S213 A214 V216L185-S213 VanDerWaalsContact CD2-CB 3.46Å; L185-A214 HydrophobicContact CD2-CB 3.58Å; L185-V216 VanDerWaalsContact O-CG2 3.29Å; L185-V216 WeakPolarHBondContact O-CG2 3.39Å
186G86.4Confident88.9Confident30 Ų3035.5 Ų35.531%0.30922%0.219SC..SBendtrans-153.4165177.800000112.4S184 Y219S184-G186 WeakPolarHBondContact CB-O 3.41Å; S184-G186 PolarHBondContact O-N 3.34Å; S184-G186 PolarHBondContact OG-N 3.3Å; S184-G186 PolarHBondContact OG-O 2.98Å; G186-Y219 VanDerWaalsContact C-OH 3.3Å; G186-Y219 PolarHBondContact O-OH 3.03Å
187S90.6Very high89.2Confident33 Ų3333.7 Ų33.723%0.23121%0.213CC..  trans-118.4139.3174.5-176.20000109.6L156 D189L156-S187 VanDerWaalsContact CB-OG 3.26Å; L156-S187 WeakPolarHBondContact CB-OG 3.48Å; L156-S187 PolarHBondContact N-OG 3.02Å; S187-D189 WeakPolarHBondContact CB-OD2 3.37Å; S187-D189 PolarHBondContact OG-OD1 2.92Å; S187-D189 PolarHBondContact OG-OD2 3.5Å
188C92.9Very high89.6Confident43 Ų4337.6 Ų37.629%0.29123%0.234SC..  trans-111.188.2178.3-64.40000109.5K111 E153 F154 S155K111-C188 HydrophobicContact CD-CB 4.2Å; K111-C188 HydrophobicContact CG-CB 4.28Å; E153-C188 HydrophobicContact CB-CB 4.02Å; E153-C188 PolarHBondContact OE2-SG 3.33Å; F154-C188 PolarHBondContact O-N 2.77Å; S155-C188 WeakPolarHBondContact CB-O 3.2Å
189D92.9Very high89.9Confident43 Ų4339.8 Ų39.823%0.2325%0.249CC..  trans-104145.1-171.7-64.2-44.1000112.2S155 L156 Q157 S187S155-D189 WeakPolarHBondContact CA-OD1 3.44Å; S155-D189 WeakPolarHBondContact CB-OD1 3.49Å; S155-D189 PolarHBondContact OG-OD1 3.18Å; L156-D189 PolarHBondContact N-OD1 2.92Å; Q157-D189 HydrophobicContact CB-CB 3.65Å; Q157-D189 VanDerWaalsContact CB-CG 3.42Å; Q157-D189 VanDerWaalsContact CB-OD1 3.28Å; Q157-D189 WeakPolarHBondContact CB-OD1 3.3Å; Q157-D189 PolarHBondContact N-OD1 3.37Å; S187-D189 WeakPolarHBondContact CB-OD2 3.37Å; S187-D189 PolarHBondContact OG-OD1 2.92Å; S187-D189 PolarHBondContact OG-OD2 3.5Å
190P92.7Very high90.3Very high100 Ų10038.5 Ų38.565%0.64924%0.243SC*.SBendtrans-75.3-24.1-177.329.1-35.1000114.2
191G92Very high90.6Very high42 Ų4242 Ų4243%0.43326%0.264SS..SBendtrans-133.6-165.7-176.300000113Q157 I193Q157-G191 PolarHBondContact OE1-O 2.9Å; G191-I193 PolarHBondContact O-N 3.47Å
192D92.2Very high91.1Very high93 Ų9349.3 Ų49.350%0.49730%0.298SS..  trans-82.2112.2176.2-175.3-3.5000110.4T194 T195D192-T194 PolarHBondContact O-N 2.83Å; D192-T194 VanDerWaalsContact O-N 3.15Å; D192-T194 WeakPolarHBondContact OD1-CB 3.24Å; D192-T194 WeakPolarHBondContact OD1-CG2 3.4Å; D192-T194 PolarHBondContact OD1-N 2.84Å; D192-T194 PolarHBondContact OD1-OG1 3.46Å; D192-T194 PolarHBondContact OD2-OG1 2.86Å; D192-T195 HydrophobicContact CB-CG2 4.45Å; D192-T195 PolarHBondContact O-N 3.48Å; D192-T195 PolarHBondContact O-OG1 2.9Å
193I91.8Very high91.5Very high21 Ų2151.2 Ų51.211%0.10831%0.308CS..Hα-helixtrans-59.5-24.6179.7-166.8162.9000113.3L156 G191 T195 T196 I197 V218 V222L156-I193 HydrophobicContact CB-CD1 4.06Å; L156-I193 HydrophobicContact CD2-CD1 3.61Å; L156-I193 HydrophobicContact CG-CD1 3.82Å; G191-I193 PolarHBondContact O-N 3.47Å; I193-T195 VanDerWaalsContact C-N 3.27Å; I193-T195 PolarHBondContact O-N 3.36Å; I193-T196 WeakPolarHBondContact O-CA 3.38Å; I193-T196 WeakPolarHBondContact O-CB 3.47Å; I193-T196 PolarHBondContact O-N 2.94Å; I193-I197 HydrophobicContact CG1-CG1 4.44Å; I193-I197 WeakPolarHBondContact O-CG1 3.27Å; I193-I197 PolarHBondContact O-N 3.27Å; I193-V218 HydrophobicContact CD1-CG1 3.75Å; I193-V218 HydrophobicContact CG2-CG1 4.02Å; I193-V222 HydrophobicContact CD1-CG2 4.23Å
194T93.1Very high91.9Very high40 Ų4058.9 Ų58.925%0.24534%0.337CS..Hα-helixtrans-59.9-38.5179.562.50000112.2D192 T196 I197 D198D192-T194 PolarHBondContact O-N 2.83Å; D192-T194 VanDerWaalsContact O-N 3.15Å; D192-T194 WeakPolarHBondContact OD1-CB 3.24Å; D192-T194 WeakPolarHBondContact OD1-CG2 3.4Å; D192-T194 PolarHBondContact OD1-N 2.84Å; D192-T194 PolarHBondContact OD1-OG1 3.46Å; D192-T194 PolarHBondContact OD2-OG1 2.86Å; T194-T196 PolarHBondContact O-N 3.17Å; T194-I197 WeakPolarHBondContact O-CB 3.42Å; T194-I197 PolarHBondContact O-N 3.38Å; T194-I197 VanDerWaalsContact O-N 3.08Å; T194-D198 PolarHBondContact O-N 3.13Å
195T94.3Very high92Very high74 Ų7458 Ų5845%0.45433%0.33SS..Hα-helixtrans-62-33.3174.566.30000112.8D192 I193 S199D192-T195 HydrophobicContact CB-CG2 4.45Å; D192-T195 PolarHBondContact O-N 3.48Å; D192-T195 PolarHBondContact O-OG1 2.9Å; I193-T195 VanDerWaalsContact C-N 3.27Å; I193-T195 PolarHBondContact O-N 3.36Å; T195-S199 PolarHBondContact O-N 2.87Å; T195-S199 VanDerWaalsContact O-N 3.13Å; T195-S199 PolarHBondContact O-OG 3.12Å
196T94.5Very high92.1Very high4 Ų455 Ų553%0.02532%0.315CS..Hα-helixtrans-74.3-35.5175.9-52.70000110.9L160 E161 I164 I193 T194 S199 L200L160-T196 HydrophobicContact CB-CG2 3.73Å; L160-T196 HydrophobicContact CD1-CG2 4.46Å; E161-T196 HydrophobicContact CG-CG2 4.01Å; I164-T196 HydrophobicContact CD1-CG2 4.22Å; I193-T196 WeakPolarHBondContact O-CA 3.38Å; I193-T196 WeakPolarHBondContact O-CB 3.47Å; I193-T196 PolarHBondContact O-N 2.94Å; T194-T196 PolarHBondContact O-N 3.17Å; T196-S199 WeakPolarHBondContact O-CB 3.45Å; T196-S199 PolarHBondContact O-N 3.24Å; T196-L200 WeakPolarHBondContact O-CG 3.44Å; T196-L200 PolarHBondContact O-N 2.98Å
197I93.8Very high92.1Very high0 Ų053.6 Ų53.60%030%0.3CS..Hα-helixtrans-64.5-46.7174.3-59.6167.6000110.5I193 T194 S199 L200 V201 K221 V222 E225I193-I197 HydrophobicContact CG1-CG1 4.44Å; I193-I197 WeakPolarHBondContact O-CG1 3.27Å; I193-I197 PolarHBondContact O-N 3.27Å; T194-I197 WeakPolarHBondContact O-CB 3.42Å; T194-I197 PolarHBondContact O-N 3.38Å; T194-I197 VanDerWaalsContact O-N 3.08Å; I197-S199 PolarHBondContact O-N 3.15Å; I197-L200 WeakPolarHBondContact O-CB 3.47Å; I197-L200 PolarHBondContact O-N 2.84Å; I197-V201 WeakPolarHBondContact O-CG2 3.36Å; I197-V201 PolarHBondContact O-N 2.8Å; I197-K221 HydrophobicContact CD1-CD 4.46Å; I197-K221 HydrophobicContact CD1-CG 4.36Å; I197-V222 HydrophobicContact CD1-CG2 3.63Å; I197-V222 HydrophobicContact CG1-CG2 3.78Å; I197-E225 HydrophobicContact CG2-CB 3.67Å; I197-E225 HydrophobicContact CG2-CG 4.49Å; I197-E225 WeakPolarHBondContact CG2-OE2 3.5Å
198D95Very high91.6Very high104 Ų10453.5 Ų53.556%0.55630%0.297SS*.Hα-helixtrans-56.4-42.5174.8-69.4-29000111.1T194 L200 V201 E202T194-D198 PolarHBondContact O-N 3.13Å; D198-L200 VanDerWaalsContact C-N 3.35Å; D198-L200 PolarHBondContact O-N 2.79Å; D198-V201 PolarHBondContact O-N 3.37Å; D198-E202 WeakPolarHBondContact O-CB 3.43Å; D198-E202 PolarHBondContact O-N 2.95Å
199S94.6Very high90.8Very high45 Ų4551.4 Ų51.432%0.31528%0.283SS..Hα-helixtrans-63.9-35.6176.2-60.10000112.9T195 T196 I197 N203T195-S199 PolarHBondContact O-N 2.87Å; T195-S199 VanDerWaalsContact O-N 3.13Å; T195-S199 PolarHBondContact O-OG 3.12Å; T196-S199 WeakPolarHBondContact O-CB 3.45Å; T196-S199 PolarHBondContact O-N 3.24Å; I197-S199 PolarHBondContact O-N 3.15Å; S199-N203 WeakPolarHBondContact O-CB 3.14Å; S199-N203 PolarHBondContact O-N 2.77Å; S199-N203 VanDerWaalsContact O-N 3.07Å; S199-N203 PolarHBondContact O-ND2 2.88Å
200L93.4Very high90Very high0 Ų050.5 Ų50.50%028%0.279CS..Hα-helixtrans-66.6-44174.6-73.1167.2000111.5L160 I164 T196 I197 D198 N203 R204 I205 V222 T226L160-L200 HydrophobicContact CB-CD1 4.23Å; L160-L200 HydrophobicContact CD1-CD1 3.86Å; L160-L200 HydrophobicContact CD2-CD1 3.98Å; L160-L200 HydrophobicContact CG-CD1 4.22Å; I164-L200 HydrophobicContact CD1-CD2 3.92Å; I164-L200 HydrophobicContact CD1-CG 4.04Å; I164-L200 HydrophobicContact CG1-CD2 3.58Å; I164-L200 HydrophobicContact CG1-CG 4.25Å; T196-L200 WeakPolarHBondContact O-CG 3.44Å; T196-L200 PolarHBondContact O-N 2.98Å; I197-L200 WeakPolarHBondContact O-CB 3.47Å; I197-L200 PolarHBondContact O-N 2.84Å; D198-L200 VanDerWaalsContact C-N 3.35Å; D198-L200 PolarHBondContact O-N 2.79Å; L200-N203 CarbonylContact O-C 3.55Å; L200-N203 PolarHBondContact O-N 2.85Å; L200-R204 PolarHBondContact O-N 3.06Å; L200-I205 HydrophobicContact CD2-CB 3.86Å; L200-I205 HydrophobicContact CD2-CD1 4.05Å; L200-I205 HydrophobicContact CD2-CG2 3.79Å; L200-I205 PolarHBondContact O-N 3.03Å; L200-V222 HydrophobicContact CD1-CG1 4.5Å; L200-T226 HydrophobicContact CB-CG2 3.78Å; L200-T226 HydrophobicContact CD1-CG2 4.02Å
201V92.8Very high88.9Confident72 Ų7245.8 Ų45.844%0.43625%0.248SC..Hα-helixtrans-63.5-44.9178.3175.70000110.5I197 D198 N203 R204 E225 T226I197-V201 WeakPolarHBondContact O-CG2 3.36Å; I197-V201 PolarHBondContact O-N 2.8Å; D198-V201 PolarHBondContact O-N 3.37Å; V201-N203 VanDerWaalsContact C-N 3.31Å; V201-N203 PolarHBondContact O-N 2.84Å; V201-R204 PolarHBondContact O-N 3.39Å; V201-E225 WeakPolarHBondContact CG2-O 3.39Å; V201-T226 HydrophobicContact CG2-CG2 4.44Å
202E93.3Very high87.8Confident158 Ų15844.3 Ų44.374%0.73823%0.23SC*.Hα-helixtrans-59.1-42.4175.5-172180-171.300111.7D198 R204D198-E202 WeakPolarHBondContact O-CB 3.43Å; D198-E202 PolarHBondContact O-N 2.95Å; E202-R204 PolarHBondContact O-N 3.08Å
203N91.6Very high86.8Confident40 Ų4041.1 Ų41.121%0.21422%0.215CC..THydrogen-bonded Turntrans-80.12.3177.5-75.6-78.8000114.1R176 S199 L200 V201 I205R176-N203 PolarHBondContact NH1-O 3.24Å; S199-N203 WeakPolarHBondContact O-CB 3.14Å; S199-N203 PolarHBondContact O-N 2.77Å; S199-N203 VanDerWaalsContact O-N 3.07Å; S199-N203 PolarHBondContact O-ND2 2.88Å; L200-N203 CarbonylContact O-C 3.55Å; L200-N203 PolarHBondContact O-N 2.85Å; V201-N203 VanDerWaalsContact C-N 3.31Å; V201-N203 PolarHBondContact O-N 2.84Å; N203-I205 VanDerWaalsContact C-N 3.26Å; N203-I205 HydrophobicContact CB-CD1 3.82Å; N203-I205 HydrophobicContact CB-CG1 3.96Å; N203-I205 PolarHBondContact O-N 2.98Å
204R88.9Confident85.7Confident162 Ų16242.9 Ų42.961%0.61123%0.233SC*.THydrogen-bonded Turntrans53.242.3-179.2-55.7177.5179.8163.21.3112.7L200 V201 E202L200-R204 PolarHBondContact O-N 3.06Å; V201-R204 PolarHBondContact O-N 3.39Å; E202-R204 PolarHBondContact O-N 3.08Å
205I91Very high84.3Confident1 Ų146.3 Ų46.31%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-96.8125178-62.3173.2000108.2I164 L167 R176 V178 L200 N203 T226I164-I205 HydrophobicContact CB-CD1 4.38Å; I164-I205 HydrophobicContact CG1-CD1 3.94Å; L167-I205 HydrophobicContact CB-CD1 4.04Å; L167-I205 HydrophobicContact CD1-CD1 4.34Å; L167-I205 HydrophobicContact CD1-CG1 4.47Å; L167-I205 HydrophobicContact CD1-CG2 4.15Å; R176-I205 HydrophobicContact CB-CB 4.48Å; R176-I205 HydrophobicContact CB-CG1 3.93Å; V178-I205 HydrophobicContact CG2-CG2 3.39Å; L200-I205 HydrophobicContact CD2-CB 3.86Å; L200-I205 HydrophobicContact CD2-CD1 4.05Å; L200-I205 HydrophobicContact CD2-CG2 3.79Å; L200-I205 PolarHBondContact O-N 3.03Å; N203-I205 VanDerWaalsContact C-N 3.26Å; N203-I205 HydrophobicContact CB-CD1 3.82Å; N203-I205 HydrophobicContact CB-CG1 3.96Å; N203-I205 PolarHBondContact O-N 2.98Å; I205-T226 WeakPolarHBondContact O-CB 3.39Å
206I86.7Confident83.6Confident51 Ų5143.9 Ų43.926%0.26223%0.231SC..EExtended strand (participates in β ladder)trans-91.2124.2178.2-58.9172.5000108.4I175 R176 E177 V178I175-I206 HydrophobicContact CG2-CD1 4.21Å; R176-I206 PolarHBondContact O-N 3.45Å; E177-I206 CarbonylContact C-O 3.58Å; E177-I206 WeakPolarHBondContact CA-O 3.48Å; V178-I206 PolarHBondContact N-O 3.32Å
207C85.2Confident83.1Confident0 Ų051.2 Ų51.20%026%0.263CS..EExtended strand (participates in β ladder)trans-107.5114.9-179.4-163.90000111L209 V222 T226 G228C207-L209 HydrophobicContact CB-CD1 4.45Å; C207-V222 HydrophobicContact CB-CG1 3.96Å; C207-T226 HydrophobicContact CB-CG2 4.13Å; C207-T226 VanDerWaalsContact CB-OG1 3.27Å; C207-T226 WeakPolarHBondContact CB-OG1 3.25Å; C207-T226 PolarHBondContact N-OG1 2.97Å; C207-G228 WeakPolarHBondContact O-CA 3.41Å
208N80.3Confident82.8Confident30 Ų3053.5 Ų53.516%0.1628%0.277CS..EExtended strand (participates in β ladder)trans-103.1137.8172.5-57.7-62.8000109.3V178 L179 V180 G228 A229V178-N208 PolarHBondContact O-N 3.35Å; L179-N208 CarbonylContact C-O 3.57Å; L179-N208 VanDerWaalsContact CA-O 3.3Å; L179-N208 WeakPolarHBondContact CA-O 3.46Å; L179-N208 HydrophobicContact CD1-CB 3.85Å; V180-N208 PolarHBondContact N-O 2.71Å; N208-G228 WeakPolarHBondContact OD1-CA 3.24Å; N208-A229 CarbonylContact C-O 3.6Å; N208-A229 VanDerWaalsContact CA-O 3.24Å; N208-A229 WeakPolarHBondContact CA-O 2.93Å; N208-A229 PolarHBondContact OD1-N 2.87Å
209L76.7Confident82.3Confident0 Ų048.6 Ų48.60%025%0.251CS..EExtended strand (participates in β ladder)trans-122.3135.6-178.9-72.292.7000110.6V180 C207 V211 Y219 V222 A223 A229 I230 F231V180-L209 HydrophobicContact CB-CD2 4.41Å; V180-L209 HydrophobicContact CB-CG 4.1Å; V180-L209 HydrophobicContact CG2-CG 4.35Å; V180-L209 CarbonylContact O-C 3.59Å; V180-L209 WeakPolarHBondContact O-CA 3.41Å; C207-L209 HydrophobicContact CB-CD1 4.45Å; L209-V211 HydrophobicContact CB-CG2 4.5Å; L209-Y219 HydrophobicContact CD2-CD1 4.12Å; L209-Y219 HydrophobicContact CD2-CG 3.91Å; L209-V222 HydrophobicContact CD1-CB 4.48Å; L209-V222 HydrophobicContact CD1-CG1 4.2Å; L209-A223 HydrophobicContact CD1-CB 3.91Å; L209-A229 PolarHBondContact N-O 2.72Å; L209-I230 HydrophobicContact CB-CD1 4.41Å; L209-I230 HydrophobicContact CB-CG1 4.18Å; L209-I230 CarbonylContact O-C 3.55Å; L209-I230 WeakPolarHBondContact O-CA 3.45Å; L209-F231 PolarHBondContact O-N 2.8Å
210V75.7Confident81.6Confident24 Ų2449.6 Ų49.615%0.14525%0.249CC..EExtended strand (participates in β ladder)trans-113.9112.7168.1-173.20000107.9I85 L179 V180 V181 V182 F231I85-V210 HydrophobicContact CD1-CB 4.3Å; I85-V210 HydrophobicContact CD1-CG1 3.33Å; L179-V210 HydrophobicContact CD1-CG2 3.83Å; V180-V210 PolarHBondContact O-N 2.89Å; V181-V210 WeakPolarHBondContact CA-O 3.45Å; V181-V210 HydrophobicContact CG2-CB 4.42Å; V182-V210 PolarHBondContact N-O 2.94Å; V210-F231 CarbonylContact C-O 3.59Å; V210-F231 WeakPolarHBondContact CA-O 3.47Å; V210-F231 HydrophobicContact CG2-CB 4.32Å; V210-F231 HydrophobicContact CG2-CD2 4.32Å
211V70.3Confident81.4Confident1 Ų152.5 Ų52.51%0.00626%0.262CS..EExtended strand (participates in β ladder)trans-105.3118.7-175.9-173.20000108.7V182 L209 A214 Y219 I230 F231 Q233V182-V211 WeakPolarHBondContact O-CA 3.3Å; L209-V211 HydrophobicContact CB-CG2 4.5Å; V211-A214 WeakPolarHBondContact CG1-O 3.27Å; V211-Y219 HydrophobicContact CG1-CD2 4.27Å; V211-Y219 HydrophobicContact CG2-CD2 3.75Å; V211-I230 HydrophobicContact CG2-CD1 4Å; V211-I230 HydrophobicContact CG2-CG1 4.19Å; V211-F231 PolarHBondContact N-O 2.79Å; V211-Q233 PolarHBondContact O-N 3.5Å
212L69.2Low81.2Confident10 Ų1049 Ų495%0.05224%0.241CC..SBendtrans-79.4-23.4179.7-57.3-179.9000112.8M58 L63 R67 I85 V182M58-L212 HydrophobicContact CE-CD1 4.1Å; M58-L212 HydrophobicContact SD-CD1 3.81Å; L63-L212 HydrophobicContact CD1-CD1 4.4Å; L63-L212 HydrophobicContact CD1-CD2 4.26Å; R67-L212 HydrophobicContact CB-CD1 3.91Å; R67-L212 HydrophobicContact CG-CD1 4.23Å; I85-L212 HydrophobicContact CD1-CD2 3.32Å; I85-L212 HydrophobicContact CG1-CD2 4.09Å; V182-L212 PolarHBondContact O-N 2.8Å
213S70.1Confident80.4Confident27 Ų2741.6 Ų41.619%0.18921%0.206CC..SBendtrans-100.2-138.8-176.3-66.60000111R67 G183 L185R67-S213 PolarHBondContact NH1-OG 2.73Å; R67-S213 PolarHBondContact NH2-OG 3.11Å; G183-S213 WeakPolarHBondContact O-CB 3.41Å; G183-S213 PolarHBondContact O-OG 3.39Å; L185-S213 VanDerWaalsContact CD2-CB 3.46Å
214A68Low79.9Confident57 Ų5745.6 Ų45.647%0.47122%0.224SC..SBendtrans-86.5164.4177.500000112.4L185 V211 V216L185-A214 HydrophobicContact CD2-CB 3.58Å; V211-A214 WeakPolarHBondContact CG1-O 3.27Å; A214-V216 PolarHBondContact O-N 2.84Å
215E65.5Low79.9Confident112 Ų11242 Ų4252%0.52321%0.214SC..  trans-59.6127.5172.3-179174.6-17400110.8K220 W232E215-K220 VanDerWaalsContact OE1-CD 3.29Å; E215-K220 WeakPolarHBondContact OE1-CD 3.49Å; E215-K220 IonicContact OE1-NZ 2.82Å; E215-K220 PolarHBondContact OE1-NZ 3.49Å; E215-W232 HydrophobicContact CB-CE3 4.35Å; E215-W232 HydrophobicContact CB-CH2 4.44Å; E215-W232 HydrophobicContact CB-CZ3 3.94Å; E215-W232 HydrophobicContact CG-CH2 3.79Å; E215-W232 HydrophobicContact CG-CZ3 3.67Å
216V78.1Confident79.6Confident23 Ų2342.6 Ų42.614%0.13922%0.218CC..  trans-116.1126.2176.2-179.10000108.5L185 A214 V218 Y219 K220L185-V216 VanDerWaalsContact O-CG2 3.29Å; L185-V216 WeakPolarHBondContact O-CG2 3.39Å; A214-V216 PolarHBondContact O-N 2.84Å; V216-V218 VanDerWaalsContact C-N 3.28Å; V216-V218 HydrophobicContact CG1-CB 4.43Å; V216-V218 PolarHBondContact O-N 3.04Å; V216-Y219 HydrophobicContact CB-CD1 4.48Å; V216-Y219 HydrophobicContact CB-CD2 3.47Å; V216-Y219 VanDerWaalsContact CB-CD2 3.47Å; V216-Y219 HydrophobicContact CB-CE2 3.78Å; V216-Y219 HydrophobicContact CB-CG 3.84Å; V216-Y219 HydrophobicContact CG1-CD1 4.35Å; V216-Y219 HydrophobicContact CG1-CD2 4.15Å; V216-Y219 HydrophobicContact CG1-CE1 4.42Å; V216-Y219 HydrophobicContact CG1-CE2 4.21Å; V216-Y219 HydrophobicContact CG1-CG 4.2Å; V216-Y219 HydrophobicContact CG2-CD2 3.73Å; V216-Y219 HydrophobicContact CG2-CE2 3.6Å; V216-Y219 PolarHBondContact O-N 2.96Å; V216-Y219 VanDerWaalsContact O-N 3.09Å; V216-K220 PolarHBondContact O-N 2.86Å
217F83.7Confident79.1Confident158 Ų15843 Ų4369%0.69324%0.235SC*.Hα-helixtrans-52.3-44-177.2175.6-100.2000113.1Y219 K220 K221F217-Y219 PolarHBondContact O-N 3.29Å; F217-K220 PolarHBondContact O-N 3.28Å; F217-K221 HydrophobicContact CE1-CD 4.36Å; F217-K221 WeakPolarHBondContact O-CB 3.26Å; F217-K221 PolarHBondContact O-N 3Å
218V88.2Confident78.2Confident49 Ų4944 Ų4430%0.29725%0.245SC..Hα-helixtrans-64.1-41.3-179.2178.90000111.8L156 I193 V216 K220 K221 V222L156-V218 HydrophobicContact CD2-CG1 4.4Å; I193-V218 HydrophobicContact CD1-CG1 3.75Å; I193-V218 HydrophobicContact CG2-CG1 4.02Å; V216-V218 VanDerWaalsContact C-N 3.28Å; V216-V218 HydrophobicContact CG1-CB 4.43Å; V216-V218 PolarHBondContact O-N 3.04Å; V218-K220 PolarHBondContact O-N 3.43Å; V218-K221 PolarHBondContact O-N 3.02Å; V218-V222 VanDerWaalsContact O-CG2 3.25Å; V218-V222 WeakPolarHBondContact O-CG2 3.44Å; V218-V222 PolarHBondContact O-N 3.23Å
219Y85.8Confident77.4Confident1 Ų144.4 Ų44.40%0.00425%0.252CS..Hα-helixtrans-64.5-42.4179.6-63.7-10.5000111.5F154 L156 V182 S184 G186 L209 V211 V216 F217 V222 A223F154-Y219 HydrophobicContact CE1-CE1 4.43Å; L156-Y219 HydrophobicContact CD2-CD1 3.61Å; L156-Y219 HydrophobicContact CD2-CE1 3.8Å; V182-Y219 HydrophobicContact CB-CE2 4.26Å; V182-Y219 HydrophobicContact CG1-CE2 3.74Å; V182-Y219 WeakPolarHBondContact CG1-OH 3.29Å; S184-Y219 WeakPolarHBondContact O-CE2 3.34Å; S184-Y219 PolarHBondContact O-OH 2.9Å; G186-Y219 VanDerWaalsContact C-OH 3.3Å; G186-Y219 PolarHBondContact O-OH 3.03Å; L209-Y219 HydrophobicContact CD2-CD1 4.12Å; L209-Y219 HydrophobicContact CD2-CG 3.91Å; V211-Y219 HydrophobicContact CG1-CD2 4.27Å; V211-Y219 HydrophobicContact CG2-CD2 3.75Å; V216-Y219 HydrophobicContact CB-CD1 4.48Å; V216-Y219 HydrophobicContact CB-CD2 3.47Å; V216-Y219 VanDerWaalsContact CB-CD2 3.47Å; V216-Y219 HydrophobicContact CB-CE2 3.78Å; V216-Y219 HydrophobicContact CB-CG 3.84Å; V216-Y219 HydrophobicContact CG1-CD1 4.35Å; V216-Y219 HydrophobicContact CG1-CD2 4.15Å; V216-Y219 HydrophobicContact CG1-CE1 4.42Å; V216-Y219 HydrophobicContact CG1-CE2 4.21Å; V216-Y219 HydrophobicContact CG1-CG 4.2Å; V216-Y219 HydrophobicContact CG2-CD2 3.73Å; V216-Y219 HydrophobicContact CG2-CE2 3.6Å; V216-Y219 PolarHBondContact O-N 2.96Å; V216-Y219 VanDerWaalsContact O-N 3.09Å; F217-Y219 PolarHBondContact O-N 3.29Å; Y219-V222 PolarHBondContact O-N 3.33Å; Y219-A223 PolarHBondContact O-N 3.13Å; Y219-A223 VanDerWaalsContact O-N 3.14Å
220K78.7Confident76.5Confident65 Ų6545.7 Ų45.728%0.28326%0.259SS..Hα-helixtrans-62.3-47.5175-176.9177.1-167.2164.20111.8E215 V216 F217 V218 V222 A223 E224 I230E215-K220 VanDerWaalsContact OE1-CD 3.29Å; E215-K220 WeakPolarHBondContact OE1-CD 3.49Å; E215-K220 IonicContact OE1-NZ 2.82Å; E215-K220 PolarHBondContact OE1-NZ 3.49Å; V216-K220 PolarHBondContact O-N 2.86Å; F217-K220 PolarHBondContact O-N 3.28Å; V218-K220 PolarHBondContact O-N 3.43Å; K220-V222 VanDerWaalsContact C-N 3.33Å; K220-V222 PolarHBondContact O-N 3.18Å; K220-A223 PolarHBondContact O-N 3.23Å; K220-E224 WeakPolarHBondContact CE-OE1 3.46Å; K220-E224 HydrophobicContact CG-CG 4.27Å; K220-E224 WeakPolarHBondContact CG-OE1 3.43Å; K220-E224 WeakPolarHBondContact O-CG 3.36Å; K220-E224 PolarHBondContact O-N 3.21Å; K220-I230 HydrophobicContact CB-CD1 4.31Å
221K88.5Confident75.8Confident61 Ų6149.8 Ų49.827%0.26528%0.275SS..Hα-helixtrans-56.6-45.9178.1-172.6178.2180-1770111.9I197 F217 V218 A223 E224 E225I197-K221 HydrophobicContact CD1-CD 4.46Å; I197-K221 HydrophobicContact CD1-CG 4.36Å; F217-K221 HydrophobicContact CE1-CD 4.36Å; F217-K221 WeakPolarHBondContact O-CB 3.26Å; F217-K221 PolarHBondContact O-N 3Å; V218-K221 PolarHBondContact O-N 3.02Å; K221-A223 PolarHBondContact O-N 2.73Å; K221-E224 PolarHBondContact O-N 3.26Å; K221-E225 WeakPolarHBondContact CE-OE1 3.36Å; K221-E225 HydrophobicContact CG-CG 4.33Å; K221-E225 WeakPolarHBondContact CG-OE1 3.39Å; K221-E225 IonicContact NZ-OE1 2.8Å; K221-E225 WeakPolarHBondContact O-CB 3.45Å; K221-E225 WeakPolarHBondContact O-CG 3.47Å; K221-E225 PolarHBondContact O-N 3.03Å
222V89.2Confident75Confident0 Ų054.2 Ų54.20%029%0.291CS..Hα-helixtrans-61.3-44177.6173.60000111.6L156 L160 I193 I197 L200 C207 L209 V218 Y219 K220 T226L156-V222 HydrophobicContact CD2-CG2 4.12Å; L160-V222 HydrophobicContact CD1-CG1 4.08Å; I193-V222 HydrophobicContact CD1-CG2 4.23Å; I197-V222 HydrophobicContact CD1-CG2 3.63Å; I197-V222 HydrophobicContact CG1-CG2 3.78Å; L200-V222 HydrophobicContact CD1-CG1 4.5Å; C207-V222 HydrophobicContact CB-CG1 3.96Å; L209-V222 HydrophobicContact CD1-CB 4.48Å; L209-V222 HydrophobicContact CD1-CG1 4.2Å; V218-V222 VanDerWaalsContact O-CG2 3.25Å; V218-V222 WeakPolarHBondContact O-CG2 3.44Å; V218-V222 PolarHBondContact O-N 3.23Å; Y219-V222 PolarHBondContact O-N 3.33Å; K220-V222 VanDerWaalsContact C-N 3.33Å; K220-V222 PolarHBondContact O-N 3.18Å; V222-T226 WeakPolarHBondContact O-CB 3.39Å; V222-T226 VanDerWaalsContact O-CG2 3.29Å; V222-T226 WeakPolarHBondContact O-CG2 3.47Å; V222-T226 PolarHBondContact O-N 3.42Å; V222-T226 PolarHBondContact O-OG1 3.25Å
223A77.2Confident74Confident1 Ų156.1 Ų56.11%0.00830%0.3CS..Hα-helixtrans-65.2-48.2178.500000111.9L209 Y219 K220 K221 T226 G227 G228 I230L209-A223 HydrophobicContact CD1-CB 3.91Å; Y219-A223 PolarHBondContact O-N 3.13Å; Y219-A223 VanDerWaalsContact O-N 3.14Å; K220-A223 PolarHBondContact O-N 3.23Å; K221-A223 PolarHBondContact O-N 2.73Å; A223-T226 PolarHBondContact O-OG1 3.15Å; A223-G227 PolarHBondContact O-N 3.43Å; A223-G228 CarbonylContact O-C 3.52Å; A223-G228 WeakPolarHBondContact O-CA 3.31Å; A223-G228 PolarHBondContact O-N 2.85Å; A223-I230 HydrophobicContact CB-CB 4.08Å
224E80.9Confident72.3Confident125 Ų12561.6 Ų61.658%0.58433%0.326SS*.Hα-helixtrans-65.4-45-177.2-71.4176.117500112.2K220 K221 T226 G227K220-E224 WeakPolarHBondContact CE-OE1 3.46Å; K220-E224 HydrophobicContact CG-CG 4.27Å; K220-E224 WeakPolarHBondContact CG-OE1 3.43Å; K220-E224 WeakPolarHBondContact O-CG 3.36Å; K220-E224 PolarHBondContact O-N 3.21Å; K221-E224 PolarHBondContact O-N 3.26Å; E224-T226 PolarHBondContact O-N 3.27Å; E224-G227 PolarHBondContact O-N 3.48Å
225E88.2Confident70.5Confident86 Ų8665.2 Ų65.240%0.40234%0.338SS..Hα-helixtrans-70.9-29.5-178-71.4-176.4-177.500112.8I197 V201 K221 G227I197-E225 HydrophobicContact CG2-CB 3.67Å; I197-E225 HydrophobicContact CG2-CG 4.49Å; I197-E225 WeakPolarHBondContact CG2-OE2 3.5Å; V201-E225 WeakPolarHBondContact CG2-O 3.39Å; K221-E225 WeakPolarHBondContact CE-OE1 3.36Å; K221-E225 HydrophobicContact CG-CG 4.33Å; K221-E225 WeakPolarHBondContact CG-OE1 3.39Å; K221-E225 IonicContact NZ-OE1 2.8Å; K221-E225 WeakPolarHBondContact O-CB 3.45Å; K221-E225 WeakPolarHBondContact O-CG 3.47Å; K221-E225 PolarHBondContact O-N 3.03Å; E225-G227 VanDerWaalsContact C-N 3.33Å
226T84.6Confident68.8Low14 Ų1467.3 Ų67.39%0.08635%0.353CS..THydrogen-bonded Turntrans-86.3-2.2175.361.80000113.8L200 V201 I205 C207 V222 A223 E224 G228L200-T226 HydrophobicContact CB-CG2 3.78Å; L200-T226 HydrophobicContact CD1-CG2 4.02Å; V201-T226 HydrophobicContact CG2-CG2 4.44Å; I205-T226 WeakPolarHBondContact O-CB 3.39Å; C207-T226 HydrophobicContact CB-CG2 4.13Å; C207-T226 VanDerWaalsContact CB-OG1 3.27Å; C207-T226 WeakPolarHBondContact CB-OG1 3.25Å; C207-T226 PolarHBondContact N-OG1 2.97Å; V222-T226 WeakPolarHBondContact O-CB 3.39Å; V222-T226 VanDerWaalsContact O-CG2 3.29Å; V222-T226 WeakPolarHBondContact O-CG2 3.47Å; V222-T226 PolarHBondContact O-N 3.42Å; V222-T226 PolarHBondContact O-OG1 3.25Å; A223-T226 PolarHBondContact O-OG1 3.15Å; E224-T226 PolarHBondContact O-N 3.27Å; T226-G228 VanDerWaalsContact C-N 3.28Å; T226-G228 PolarHBondContact O-N 3.29Å
227G76Confident66.6Low60 Ų6072.5 Ų72.562%0.61938%0.379SS*.THydrogen-bonded Turntrans71.520.5-17700000114.2A223 E224 E225A223-G227 PolarHBondContact O-N 3.43Å; E224-G227 PolarHBondContact O-N 3.48Å; E225-G227 VanDerWaalsContact C-N 3.33Å
228G68Low64Low21 Ų2171.5 Ų71.522%0.21638%0.381CS..  trans-89.7-171.3172.400000112.7C207 N208 A223 T226C207-G228 WeakPolarHBondContact O-CA 3.41Å; N208-G228 WeakPolarHBondContact OD1-CA 3.24Å; A223-G228 CarbonylContact O-C 3.52Å; A223-G228 WeakPolarHBondContact O-CA 3.31Å; A223-G228 PolarHBondContact O-N 2.85Å; T226-G228 VanDerWaalsContact C-N 3.28Å; T226-G228 PolarHBondContact O-N 3.29Å
229A63.1Low61.1Low37 Ų3777 Ų7731%0.30640%0.404SS..  trans-123.3148.7178.900000111N208 L209 F231N208-A229 CarbonylContact C-O 3.6Å; N208-A229 VanDerWaalsContact CA-O 3.24Å; N208-A229 WeakPolarHBondContact CA-O 2.93Å; N208-A229 PolarHBondContact OD1-N 2.87Å; L209-A229 PolarHBondContact N-O 2.72Å; A229-F231 HydrophobicContact CB-CE1 4.45Å; A229-F231 HydrophobicContact CB-CE2 3.71Å; A229-F231 HydrophobicContact CB-CZ 3.65Å
230I57.6Low58.5Low28 Ų2882.5 Ų82.514%0.14444%0.442CS..EExtended strand (participates in β ladder)trans-109.9132.3172.2-170.4161000109.4L209 V211 K220 A223 W232L209-I230 HydrophobicContact CB-CD1 4.41Å; L209-I230 HydrophobicContact CB-CG1 4.18Å; L209-I230 CarbonylContact O-C 3.55Å; L209-I230 WeakPolarHBondContact O-CA 3.45Å; V211-I230 HydrophobicContact CG2-CD1 4Å; V211-I230 HydrophobicContact CG2-CG1 4.19Å; K220-I230 HydrophobicContact CB-CD1 4.31Å; A223-I230 HydrophobicContact CB-CB 4.08Å; I230-W232 HydrophobicContact CB-CH2 4.18Å; I230-W232 HydrophobicContact CB-CZ3 4.34Å; I230-W232 HydrophobicContact CD1-CE3 4.21Å; I230-W232 HydrophobicContact CD1-CH2 3.76Å; I230-W232 HydrophobicContact CD1-CZ3 3.34Å; I230-W232 HydrophobicContact CG1-CE3 3.97Å; I230-W232 HydrophobicContact CG1-CH2 3.81Å; I230-W232 HydrophobicContact CG1-CZ3 3.47Å; I230-W232 VanDerWaalsContact CG1-CZ3 3.47Å; I230-W232 HydrophobicContact CG2-CH2 3.32Å; I230-W232 HydrophobicContact CG2-CZ2 3.59Å; I230-W232 HydrophobicContact CG2-CZ3 3.97Å
231F60.5Low56Low110 Ų11086.4 Ų86.448%0.48246%0.463SS..EExtended strand (participates in β ladder)trans-119.6128-179.8-55.9-84000108.8L209 V210 V211 A229L209-F231 PolarHBondContact O-N 2.8Å; V210-F231 CarbonylContact C-O 3.59Å; V210-F231 WeakPolarHBondContact CA-O 3.47Å; V210-F231 HydrophobicContact CG2-CB 4.32Å; V210-F231 HydrophobicContact CG2-CD2 4.32Å; V211-F231 PolarHBondContact N-O 2.79Å; A229-F231 HydrophobicContact CB-CE1 4.45Å; A229-F231 HydrophobicContact CB-CE2 3.71Å; A229-F231 HydrophobicContact CB-CZ 3.65Å
232W53.8Low53.3Low94 Ų9488.1 Ų88.136%0.35648%0.481SS..EExtended strand (participates in β ladder)trans-96.5144.3170.6-13.597.5000107.6E215 I230 L234E215-W232 HydrophobicContact CB-CE3 4.35Å; E215-W232 HydrophobicContact CB-CH2 4.44Å; E215-W232 HydrophobicContact CB-CZ3 3.94Å; E215-W232 HydrophobicContact CG-CH2 3.79Å; E215-W232 HydrophobicContact CG-CZ3 3.67Å; I230-W232 HydrophobicContact CB-CH2 4.18Å; I230-W232 HydrophobicContact CB-CZ3 4.34Å; I230-W232 HydrophobicContact CD1-CE3 4.21Å; I230-W232 HydrophobicContact CD1-CH2 3.76Å; I230-W232 HydrophobicContact CD1-CZ3 3.34Å; I230-W232 HydrophobicContact CG1-CE3 3.97Å; I230-W232 HydrophobicContact CG1-CH2 3.81Å; I230-W232 HydrophobicContact CG1-CZ3 3.47Å; I230-W232 VanDerWaalsContact CG1-CZ3 3.47Å; I230-W232 HydrophobicContact CG2-CH2 3.32Å; I230-W232 HydrophobicContact CG2-CZ2 3.59Å; I230-W232 HydrophobicContact CG2-CZ3 3.97Å; W232-L234 PolarHBondContact O-N 2.9Å
233Q47.4Very low50.4Low50 Ų5094.6 Ų94.623%0.23452%0.515CS..  trans-66.4100.4171.7-168.5172.712.300109.8A83 V211A83-Q233 PolarHBondContact O-NE2 3.49Å; V211-Q233 PolarHBondContact O-N 3.5Å
234L36.1Very low48.2Very low141 Ų141101.9 Ų101.974%0.73855%0.554SS**  trans-95131167.8-77.6157.3000107.9W232 D236W232-L234 PolarHBondContact O-N 2.9Å; L234-D236 PolarHBondContact O-N 3.36Å; L234-D236 VanDerWaalsContact O-N 3.17Å
235N29.2Very low45.8Very low134 Ų13499.7 Ų99.772%0.71755%0.551SS**  trans-62.2111.7172.1-75.4-31.5000108.7
236D30.8Very low42.9Very low156 Ų156102.6 Ų102.683%0.83457%0.569SS**  trans-164.8136.6153.7-92.1-31.1000111.7L234L234-D236 PolarHBondContact O-N 3.36Å; L234-D236 VanDerWaalsContact O-N 3.17Å
237N30.2Very low40.2Very low131 Ų131105.1 Ų105.170%0.70159%0.591SS**  trans-108.2137.9-174.9-64.9-55.1000110.1
238N29.1Very low37.8Very low137 Ų137108.9 Ų108.973%0.73360%0.597SS**  trans-156.6116.6147.1-96.6-7.5000109.5
239H29Very low35.9Very low165 Ų165116.5 Ų116.576%0.76463%0.632SS**  trans54.2151.1144-45.1-53.2000119.9
240S29.5Very low34.3Very low116 Ų116119.4 Ų119.481%0.81165%0.646SS**  cis-169.5149.8-12.837.80000107.1
241M27.7Very low33.2Very low148 Ų148129.6 Ų129.673%0.72968%0.683SS**  trans-86.6-165.6-173.3-62.2-92.1-77.500113
242P31.5Very low32.8Very low97 Ų97132.2 Ų132.263%0.6370%0.696SS**  cis-144.9172.8-5.518.210.6000119.1
243D27.6Very low32.9Very low135 Ų135128.6 Ų128.672%0.72269%0.688SS**  trans56.6148134.9-57.8-15.5000122.2
244N31.2Very low33.5Very low154 Ų154130.1 Ų130.182%0.82469%0.692SS**  cis-169.6160.92.1-179.454.1000106.5
245P30.6Very low35Very low80 Ų80128.2 Ų128.252%0.51968%0.676SS.*  trans-103164.3-160.639-29.6000114.6
246D27.7Very low36.4Very low146 Ų146121.9 Ų121.978%0.78164%0.642SS**  trans-148.7140.9151.4-87.5-40000110.8R136R136-D246 PolarHBondContact NH2-O 2.79Å
247A27.2Very low38.2Very low67 Ų67116.1 Ų116.155%0.55461%0.613SS**  trans-126.282.5177.200000109.5
248N26.8Very low40.2Very low140 Ų140114.7 Ų114.775%0.74960%0.602SS**  trans-69.8137168.1-79.7-44.2000110.5T250N248-T250 PolarHBondContact O-N 3.32Å
249L26.7Very low42.5Very low180 Ų180109.7 Ų109.794%0.94258%0.578SS**  trans-60.5104.7165.7-100.782000109.3
250T29.4Very low44.4Very low98 Ų98110.1 Ų110.160%0.60158%0.577SS**  trans-90.3131.9175.143.30000111N248 Q252N248-T250 PolarHBondContact O-N 3.32Å; T250-Q252 PolarHBondContact O-N 2.91Å
251R34.5Very low45.9Very low243 Ų243105.9 Ų105.992%0.91755%0.548SS*.SBendtrans-66.9-13.4171.1-74.5179.8172.2-175.8-1.9113K262R251-K262 PolarHBondContact O-NZ 2.91Å; R251-K262 VanDerWaalsContact O-NZ 3.14Å
252Q52.3Low47.3Very low165 Ų165104.2 Ų104.277%0.77154%0.536SS*.  trans-89.5142.4-179.3-64.9179.7-0.200110.5T250T250-Q252 PolarHBondContact O-N 2.91Å
253G55.5Low48.6Very low17 Ų17100.6 Ų100.618%0.17551%0.51CS..  trans-157.3165.8177.100000110Y263G253-Y263 CarbonylContact C-O 3.39Å; G253-Y263 WeakPolarHBondContact CA-O 3.46Å
254Y61.1Low49.8Very low82 Ų8299.3 Ų99.332%0.32251%0.511SS..EExtended strand (participates in β ladder)trans-96.6135.8-174.6-57.2-84.6000110.4V29 K262 Y263 L266V29-Y254 HydrophobicContact CG1-CD1 4.05Å; Y254-K262 CarbonylContact O-C 3.58Å; Y254-K262 WeakPolarHBondContact O-CA 3.45Å; Y254-Y263 PolarHBondContact N-O 3.38Å; Y254-Y263 PolarHBondContact O-N 2.86Å; Y254-L266 HydrophobicContact CD1-CD1 3.42Å; Y254-L266 VanDerWaalsContact CD1-CD1 3.42Å; Y254-L266 HydrophobicContact CD1-CG 3.95Å; Y254-L266 HydrophobicContact CD2-CD1 4.08Å; Y254-L266 HydrophobicContact CD2-CD2 4.41Å; Y254-L266 HydrophobicContact CD2-CG 3.64Å; Y254-L266 HydrophobicContact CE1-CD1 3.77Å; Y254-L266 HydrophobicContact CE1-CG 4.34Å; Y254-L266 HydrophobicContact CE2-CD1 4.37Å; Y254-L266 HydrophobicContact CE2-CG 4.06Å; Y254-L266 HydrophobicContact CG-CD1 3.57Å; Y254-L266 HydrophobicContact CG-CD2 4.16Å; Y254-L266 HydrophobicContact CG-CG 3.56Å
255Y66.6Low51.2Low101 Ų10194.5 Ų94.540%0.39649%0.49SS..EExtended strand (participates in β ladder)trans-95.6134.6176.4-67.5-90.6000110.5S261 K262Y255-S261 CarbonylContact C-O 3.53Å; Y255-S261 WeakPolarHBondContact CA-O 3.41Å; Y255-K262 HydrophobicContact CD1-CB 4.11Å; Y255-K262 HydrophobicContact CD1-CG 4.47Å; Y255-K262 HydrophobicContact CE1-CB 3.89Å; Y255-K262 HydrophobicContact CE1-CD 4.24Å; Y255-K262 HydrophobicContact CE1-CG 4.1Å
256C59.6Low52.6Low1 Ų191.5 Ų91.51%0.00747%0.469CS..PPolyproline II helixtrans-65.5133.3168.4176.90000110Q258 C259 K260 S261 Y263 C270 L277C256-Q258 VanDerWaalsContact C-N 3.32Å; C256-Q258 PolarHBondContact O-N 2.94Å; C256-Q258 PolarHBondContact SG-N 2.87Å; C256-Q258 VanDerWaalsContact SG-N 3.41Å; C256-C259 WeakPolarHBondContact CB-SG 3.4Å; C256-C259 PolarHBondContact SG-N 2.82Å; C256-C259 PolarHBondContact SG-SG 2.91Å; C256-K260 WeakPolarHBondContact O-CA 3.29Å; C256-K260 PolarHBondContact O-N 3.25Å; C256-S261 PolarHBondContact N-O 2.84Å; C256-Y263 HydrophobicContact CB-CE2 3.98Å; C256-C270 HydrophobicContact CB-CB 4.01Å; C256-C270 VanDerWaalsContact SG-CB 3.54Å; C256-L277 HydrophobicContact CB-CD1 3.76Å; C256-L277 HydrophobicContact CB-CD2 4.1Å
257P68.7Low54.4Low36 Ų3686.2 Ų86.223%0.23444%0.443CS..THydrogen-bonded Turntrans-70.7-24.6-179.629.9-38.4000115V35 F37 L275 L277V35-P257 HydrophobicContact CB-CB 3.91Å; V35-P257 HydrophobicContact CG1-CB 3.23Å; V35-P257 HydrophobicContact CG1-CG 3.63Å; V35-P257 HydrophobicContact CG2-CB 3.56Å; V35-P257 HydrophobicContact CG2-CG 4.48Å; F37-P257 HydrophobicContact CE1-CG 4.1Å; F37-P257 HydrophobicContact CZ-CB 3.99Å; F37-P257 HydrophobicContact CZ-CG 3.93Å; P257-L275 HydrophobicContact CG-CD2 3.47Å; P257-L275 VanDerWaalsContact CG-CD2 3.47Å; P257-L277 VanDerWaalsContact CD-CD2 3.48Å; P257-L277 HydrophobicContact CG-CD2 4.39Å
258Q71.5Confident56.1Low101 Ų10183.4 Ų83.447%0.47242%0.418SS..THydrogen-bonded Turntrans-93.1-49.2-175.5178.8172.9-29.900111.1C256 C273 L275C256-Q258 VanDerWaalsContact C-N 3.32Å; C256-Q258 PolarHBondContact O-N 2.94Å; C256-Q258 PolarHBondContact SG-N 2.87Å; C256-Q258 VanDerWaalsContact SG-N 3.41Å; Q258-C273 HydrophobicContact CG-CB 4.05Å; Q258-L275 HydrophobicContact CB-CD2 4.12Å
259C77.4Confident57.9Low32 Ų3279.9 Ų79.922%0.21640%0.397CS..THydrogen-bonded Turntrans-98.3-10.1-174.565.70000113.4C256 S261 C270 V272 C273C256-C259 WeakPolarHBondContact CB-SG 3.4Å; C256-C259 PolarHBondContact SG-N 2.82Å; C256-C259 PolarHBondContact SG-SG 2.91Å; C259-S261 PolarHBondContact O-N 2.91Å; C259-S261 PolarHBondContact SG-OG 2.87Å; C259-C270 WeakPolarHBondContact CB-SG 3.34Å; C259-C270 WeakPolarHBondContact SG-CB 3.34Å; C259-C270 CovalentContact SG-SG 2.11Å; C259-C270 PolarHBondContact SG-SG 3.21Å; C259-V272 HydrophobicContact CB-CB 3.67Å; C259-V272 HydrophobicContact CB-CG1 3.79Å; C259-C273 HydrophobicContact CB-CB 3.91Å
260K70.1Confident59.4Low173 Ų17371.3 Ų71.375%0.75235%0.353SS*.  trans56.312.2-173.4-60.8-177180178.60115.5C256C256-K260 WeakPolarHBondContact O-CA 3.29Å; C256-K260 PolarHBondContact O-N 3.25Å
261S60.8Low61Low28 Ų2871.6 Ų71.620%0.19634%0.343CS..  trans-70.3146172.7610000111.2Y255 C256 C259 Y263 C270Y255-S261 CarbonylContact C-O 3.53Å; Y255-S261 WeakPolarHBondContact CA-O 3.41Å; C256-S261 PolarHBondContact N-O 2.84Å; C259-S261 PolarHBondContact O-N 2.91Å; C259-S261 PolarHBondContact SG-OG 2.87Å; S261-Y263 WeakPolarHBondContact O-CE2 3.37Å; S261-Y263 WeakPolarHBondContact OG-CE2 3.1Å; S261-Y263 PolarHBondContact OG-OH 3.42Å; S261-C270 PolarHBondContact OG-SG 3.14Å; S261-C270 VanDerWaalsContact OG-SG 3.41Å
262K57.5Low62.7Low112 Ų11265.3 Ų65.349%0.48733%0.331SS..EExtended strand (participates in β ladder)trans-93.9135.5-177-170.9179.8179.6-179.40110.5R251 Y254 Y255R251-K262 PolarHBondContact O-NZ 2.91Å; R251-K262 VanDerWaalsContact O-NZ 3.14Å; Y254-K262 CarbonylContact O-C 3.58Å; Y254-K262 WeakPolarHBondContact O-CA 3.45Å; Y255-K262 HydrophobicContact CD1-CB 4.11Å; Y255-K262 HydrophobicContact CD1-CG 4.47Å; Y255-K262 HydrophobicContact CE1-CB 3.89Å; Y255-K262 HydrophobicContact CE1-CD 4.24Å; Y255-K262 HydrophobicContact CE1-CG 4.1Å
263Y58.3Low63.5Low21 Ų2159.3 Ų59.38%0.08231%0.307CS..EExtended strand (participates in β ladder)trans-122.5144.5177.1-64.5-91.6000109.9G253 Y254 C256 S261 T268 C270 R271 L277G253-Y263 CarbonylContact C-O 3.39Å; G253-Y263 WeakPolarHBondContact CA-O 3.46Å; Y254-Y263 PolarHBondContact N-O 3.38Å; Y254-Y263 PolarHBondContact O-N 2.86Å; C256-Y263 HydrophobicContact CB-CE2 3.98Å; S261-Y263 WeakPolarHBondContact O-CE2 3.37Å; S261-Y263 WeakPolarHBondContact OG-CE2 3.1Å; S261-Y263 PolarHBondContact OG-OH 3.42Å; Y263-T268 HydrophobicContact CD1-CG2 3.51Å; Y263-T268 HydrophobicContact CD2-CG2 4.27Å; Y263-T268 HydrophobicContact CE1-CG2 4.18Å; Y263-T268 HydrophobicContact CG-CG2 3.61Å; Y263-C270 HydrophobicContact CE2-CB 4.15Å; Y263-C270 WeakPolarHBondContact OH-CA 3.16Å; Y263-C270 PolarHBondContact OH-SG 3.33Å; Y263-R271 PolarHBondContact OH-N 2.65Å; Y263-L277 HydrophobicContact CD2-CD1 3.41Å; Y263-L277 VanDerWaalsContact CD2-CD1 3.41Å; Y263-L277 HydrophobicContact CE2-CD1 3.62Å; Y263-L277 HydrophobicContact CG-CD1 4.13Å
264C52.1Low63.9Low109 Ų10960.3 Ų60.374%0.73632%0.317SS*.SBendtrans-79.8-30.6-179.3-56.90000112.6
265S60.6Low64.1Low53 Ų5356.9 Ų56.937%0.37130%0.304SS..SBendtrans-141147-176.557.70000111.2
266L61Low64.2Low17 Ų1754 Ų549%0.08930%0.295CS..SBendtrans-105.7155.4164.6-61.3176.1000107.9V29 Y254 T268 L277 H282V29-L266 HydrophobicContact CB-CD1 3.9Å; Y254-L266 HydrophobicContact CD1-CD1 3.42Å; Y254-L266 VanDerWaalsContact CD1-CD1 3.42Å; Y254-L266 HydrophobicContact CD1-CG 3.95Å; Y254-L266 HydrophobicContact CD2-CD1 4.08Å; Y254-L266 HydrophobicContact CD2-CD2 4.41Å; Y254-L266 HydrophobicContact CD2-CG 3.64Å; Y254-L266 HydrophobicContact CE1-CD1 3.77Å; Y254-L266 HydrophobicContact CE1-CG 4.34Å; Y254-L266 HydrophobicContact CE2-CD1 4.37Å; Y254-L266 HydrophobicContact CE2-CG 4.06Å; Y254-L266 HydrophobicContact CG-CD1 3.57Å; Y254-L266 HydrophobicContact CG-CD2 4.16Å; Y254-L266 HydrophobicContact CG-CG 3.56Å; L266-T268 HydrophobicContact CD2-CG2 3.93Å; L266-L277 HydrophobicContact CD2-CB 3.45Å; L266-L277 VanDerWaalsContact CD2-CB 3.45Å; L266-L277 HydrophobicContact CD2-CD1 4.42Å; L266-H282 PolarHBondContact O-CE1 3.37Å
267P64.1Low64.4Low35 Ų3553.9 Ų53.923%0.22730%0.295CS..SBendcis-80.8147.9-3.431.1-29.8000112.9P99 L277 I278P99-P267 HydrophobicContact CB-CG 4.15Å; P99-P267 WeakPolarHBondContact O-CG 3.48Å; P267-L277 CarbonylContact C-O 3.55Å; P267-L277 WeakPolarHBondContact CA-O 3.31Å; P267-I278 HydrophobicContact CB-CB 4.42Å; P267-I278 HydrophobicContact CB-CG2 3.91Å
268T63.2Low64.3Low7 Ų752.2 Ų52.24%0.04328%0.284CS..EExtended strand (participates in β ladder)trans-153.3150.4-177.9-179.30000112.2L132 Y263 L266 L277L132-T268 WeakPolarHBondContact CD1-OG1 3.26Å; L132-T268 WeakPolarHBondContact CD2-OG1 3.19Å; Y263-T268 HydrophobicContact CD1-CG2 3.51Å; Y263-T268 HydrophobicContact CD2-CG2 4.27Å; Y263-T268 HydrophobicContact CE1-CG2 4.18Å; Y263-T268 HydrophobicContact CG-CG2 3.61Å; L266-T268 HydrophobicContact CD2-CG2 3.93Å; T268-L277 HydrophobicContact CG2-CB 3.89Å; T268-L277 HydrophobicContact CG2-CD1 3.83Å; T268-L277 HydrophobicContact CG2-CG 4.15Å; T268-L277 PolarHBondContact N-O 2.8Å; T268-L277 WeakPolarHBondContact O-CA 3.44Å; T268-L277 WeakPolarHBondContact O-CB 3.3Å; T268-L277 PolarHBondContact O-N 2.92Å
269E63.9Low64Low66 Ų6647.9 Ų47.931%0.30827%0.265SS..EExtended strand (participates in β ladder)trans-82.3133164.5-166.7-177.515800111.1R271 G274 I276E269-R271 PolarHBondContact O-N 3Å; E269-G274 WeakPolarHBondContact CG-O 3.48Å; E269-I276 HydrophobicContact CG-CG1 4.33Å
270C58.4Low63.5Low0 Ų049.3 Ų49.30%028%0.279CS..  trans-66.9119.2173.51650000109.2C256 C259 S261 Y263 V272 C273 G274 L275 L277C256-C270 HydrophobicContact CB-CB 4.01Å; C256-C270 VanDerWaalsContact SG-CB 3.54Å; C259-C270 WeakPolarHBondContact CB-SG 3.34Å; C259-C270 WeakPolarHBondContact SG-CB 3.34Å; C259-C270 CovalentContact SG-SG 2.11Å; C259-C270 PolarHBondContact SG-SG 3.21Å; S261-C270 PolarHBondContact OG-SG 3.14Å; S261-C270 VanDerWaalsContact OG-SG 3.41Å; Y263-C270 HydrophobicContact CE2-CB 4.15Å; Y263-C270 WeakPolarHBondContact OH-CA 3.16Å; Y263-C270 PolarHBondContact OH-SG 3.33Å; C270-V272 PolarHBondContact O-N 3.26Å; C270-V272 PolarHBondContact SG-N 3.46Å; C270-C273 PolarHBondContact O-N 2.8Å; C270-C273 PolarHBondContact SG-N 3.1Å; C270-C273 PolarHBondContact SG-SG 2.92Å; C270-G274 VanDerWaalsContact O-CA 3.23Å; C270-G274 WeakPolarHBondContact O-CA 2.72Å; C270-G274 PolarHBondContact O-N 3.36Å; C270-L275 PolarHBondContact N-O 2.78Å; C270-L277 HydrophobicContact CB-CD1 4.49Å
271R64Low63.1Low105 Ų10548.2 Ų48.240%0.39628%0.277SS..THydrogen-bonded Turntrans-69.2-19.6-179.9-59.4-57.1-175.5129.51.6114.7G121 Y263 E269G121-R271 VanDerWaalsContact CA-CZ 3.49Å; G121-R271 VanDerWaalsContact N-NH2 3.19Å; G121-R271 PolarHBondContact O-NH1 2.79Å; Y263-R271 PolarHBondContact OH-N 2.65Å; E269-R271 PolarHBondContact O-N 3Å
272V69.2Low63.3Low110 Ų11048.7 Ų48.767%0.66728%0.276SS*.THydrogen-bonded Turntrans-86.1-31.4178.7-177.50000111.7C259 C270C259-V272 HydrophobicContact CB-CB 3.67Å; C259-V272 HydrophobicContact CB-CG1 3.79Å; C270-V272 PolarHBondContact O-N 3.26Å; C270-V272 PolarHBondContact SG-N 3.46Å
273C70.3Confident63.6Low40 Ų4044.8 Ų44.827%0.2726%0.26SS..THydrogen-bonded Turntrans-134.41.3-172.876.70000116.3Q258 C259 C270 L275Q258-C273 HydrophobicContact CG-CB 4.05Å; C259-C273 HydrophobicContact CB-CB 3.91Å; C270-C273 PolarHBondContact O-N 2.8Å; C270-C273 PolarHBondContact SG-N 3.1Å; C270-C273 PolarHBondContact SG-SG 2.92Å; C273-L275 VanDerWaalsContact C-N 3.25Å; C273-L275 PolarHBondContact O-N 3.32Å
274G63.6Low64Low38 Ų3846.5 Ų46.539%0.39228%0.278SS..  trans72.55.8179.400000115.7E269 C270 I276E269-G274 WeakPolarHBondContact CG-O 3.48Å; C270-G274 VanDerWaalsContact O-CA 3.23Å; C270-G274 WeakPolarHBondContact O-CA 2.72Å; C270-G274 PolarHBondContact O-N 3.36Å; G274-I276 PolarHBondContact O-N 2.73Å
275L64.9Low64.7Low10 Ų1045.9 Ų45.95%0.05226%0.261CS..PPolyproline II helixtrans-77.5125-176.7-177.370.8000111R25 F37 P257 Q258 C270 C273 L277R25-L275 HydrophobicContact CG-CD1 4.2Å; R25-L275 VanDerWaalsContact O-CD1 3.28Å; R25-L275 WeakPolarHBondContact O-CD1 3.38Å; F37-L275 HydrophobicContact CE1-CD2 3.88Å; P257-L275 HydrophobicContact CG-CD2 3.47Å; P257-L275 VanDerWaalsContact CG-CD2 3.47Å; Q258-L275 HydrophobicContact CB-CD2 4.12Å; C270-L275 PolarHBondContact N-O 2.78Å; C273-L275 VanDerWaalsContact C-N 3.25Å; C273-L275 PolarHBondContact O-N 3.32Å; L275-L277 HydrophobicContact CD2-CD2 4.06Å; L275-L277 HydrophobicContact CG-CD2 4.26Å; L275-L277 PolarHBondContact O-N 3.46Å
276I69Low64.9Low39 Ų3944 Ų4420%0.225%0.247CC..EExtended strand (participates in β ladder)trans-71.4120173.2-63.2159.6000110L26 G27 M45 E269 G274 I278L26-I276 HydrophobicContact CD2-CB 4.01Å; L26-I276 HydrophobicContact CD2-CG2 3.81Å; G27-I276 PolarHBondContact N-O 3.26Å; M45-I276 HydrophobicContact CE-CD1 3.86Å; M45-I276 HydrophobicContact SD-CD1 3.39Å; M45-I276 WeakPolarHBondContact SD-CD1 3.13Å; E269-I276 HydrophobicContact CG-CG1 4.33Å; G274-I276 PolarHBondContact O-N 2.73Å; I276-I278 HydrophobicContact CG2-CG2 3.76Å
277L64Low65.2Low0 Ų048.2 Ų48.20%027%0.266CS..EExtended strand (participates in β ladder)trans-100.4123.4179-49.3-177.1000109.2G27 V29 C256 P257 Y263 L266 P267 T268 C270 L275G27-L277 WeakPolarHBondContact O-CA 3.14Å; V29-L277 HydrophobicContact CG2-CB 4.45Å; V29-L277 HydrophobicContact CG2-CD2 4.38Å; C256-L277 HydrophobicContact CB-CD1 3.76Å; C256-L277 HydrophobicContact CB-CD2 4.1Å; P257-L277 VanDerWaalsContact CD-CD2 3.48Å; P257-L277 HydrophobicContact CG-CD2 4.39Å; Y263-L277 HydrophobicContact CD2-CD1 3.41Å; Y263-L277 VanDerWaalsContact CD2-CD1 3.41Å; Y263-L277 HydrophobicContact CE2-CD1 3.62Å; Y263-L277 HydrophobicContact CG-CD1 4.13Å; L266-L277 HydrophobicContact CD2-CB 3.45Å; L266-L277 VanDerWaalsContact CD2-CB 3.45Å; L266-L277 HydrophobicContact CD2-CD1 4.42Å; P267-L277 CarbonylContact C-O 3.55Å; P267-L277 WeakPolarHBondContact CA-O 3.31Å; T268-L277 HydrophobicContact CG2-CB 3.89Å; T268-L277 HydrophobicContact CG2-CD1 3.83Å; T268-L277 HydrophobicContact CG2-CG 4.15Å; T268-L277 PolarHBondContact N-O 2.8Å; T268-L277 WeakPolarHBondContact O-CA 3.44Å; T268-L277 WeakPolarHBondContact O-CB 3.3Å; T268-L277 PolarHBondContact O-N 2.92Å; C270-L277 HydrophobicContact CB-CD1 4.49Å; L275-L277 HydrophobicContact CD2-CD2 4.06Å; L275-L277 HydrophobicContact CG-CD2 4.26Å; L275-L277 PolarHBondContact O-N 3.46Å
278I66.9Low65.2Low0 Ų049.6 Ų49.60%027%0.27CS..EExtended strand (participates in β ladder)trans-135162.4179.570.3173.7000109.7L26 G27 I28 V29 I100 P267 I276 L283L26-I278 HydrophobicContact CB-CD1 4.3Å; L26-I278 HydrophobicContact CD1-CD1 4.08Å; L26-I278 HydrophobicContact CD2-CD1 4.43Å; G27-I278 PolarHBondContact O-N 3.35Å; G27-I278 VanDerWaalsContact O-N 3.07Å; I28-I278 CarbonylContact C-O 3.56Å; I28-I278 VanDerWaalsContact CA-O 3.28Å; I28-I278 WeakPolarHBondContact CA-O 3.34Å; I28-I278 HydrophobicContact CG1-CD1 4.31Å; I28-I278 HydrophobicContact CG1-CG1 3.99Å; V29-I278 PolarHBondContact N-O 2.88Å; I100-I278 HydrophobicContact CG2-CB 4.48Å; I100-I278 HydrophobicContact CG2-CG2 3.6Å; P267-I278 HydrophobicContact CB-CB 4.42Å; P267-I278 HydrophobicContact CB-CG2 3.91Å; I276-I278 HydrophobicContact CG2-CG2 3.76Å; I278-L283 HydrophobicContact CD1-CB 4.11Å
279S64.8Low65.2Low11 Ų1152.9 Ų52.98%0.07728%0.284CS..  trans-97.1159.1168.977.60000108.9Q281 H282 L283S279-Q281 PolarHBondContact O-N 3.08Å; S279-Q281 PolarHBondContact OG-N 2.97Å; S279-H282 PolarHBondContact N-ND1 2.93Å; S279-H282 PolarHBondContact O-N 2.98Å; S279-H282 PolarHBondContact OG-CE1 3.18Å; S279-H282 VanDerWaalsContact OG-CG 3.3Å; S279-H282 PolarHBondContact OG-N 3.35Å; S279-H282 VanDerWaalsContact OG-N 3.13Å; S279-H282 PolarHBondContact OG-ND1 2.92Å; S279-L283 PolarHBondContact O-N 3.21Å
280A66.1Low65.1Low62 Ų6252.7 Ų52.751%0.51229%0.285SS..Hα-helixtrans-60.4-29.6173.700000111.8I28 L283 A284I28-A280 HydrophobicContact CG2-CB 4.11Å; A280-L283 PolarHBondContact O-N 3.48Å; A280-A284 WeakPolarHBondContact O-CB 2.98Å; A280-A284 PolarHBondContact O-N 2.94Å
281Q63.6Low65.5Low150 Ų15057.7 Ų57.770%0.70131%0.307SS*.Hα-helixtrans-66.9-42.9176.3-64.3172-25.200111.6S279 L283 A284 R285S279-Q281 PolarHBondContact O-N 3.08Å; S279-Q281 PolarHBondContact OG-N 2.97Å; Q281-L283 VanDerWaalsContact C-N 3.3Å; Q281-L283 PolarHBondContact O-N 3.3Å; Q281-A284 PolarHBondContact O-N 2.99Å; Q281-R285 WeakPolarHBondContact O-CG 3.35Å; Q281-R285 PolarHBondContact O-N 3.46Å
282H63.9Low65.8Low38 Ų3857.5 Ų57.518%0.17632%0.319CS..Hα-helixtrans-60.9-42.1174.9-62.2140000111.4P99 L266 S279 R285 S286P99-H282 HydrophobicContact CB-CB 3.82Å; P99-H282 HydrophobicContact CG-CB 3.73Å; P99-H282 WeakPolarHBondContact CG-O 3.3Å; L266-H282 PolarHBondContact O-CE1 3.37Å; S279-H282 PolarHBondContact N-ND1 2.93Å; S279-H282 PolarHBondContact O-N 2.98Å; S279-H282 PolarHBondContact OG-CE1 3.18Å; S279-H282 VanDerWaalsContact OG-CG 3.3Å; S279-H282 PolarHBondContact OG-N 3.35Å; S279-H282 VanDerWaalsContact OG-N 3.13Å; S279-H282 PolarHBondContact OG-ND1 2.92Å; H282-R285 PolarHBondContact O-N 3.08Å; H282-S286 PolarHBondContact O-N 2.77Å
283L64.9Low66.3Low29 Ų2953.8 Ų53.815%0.15230%0.297CS..Hα-helixtrans-64.2-44.2175.9-177.158.3000111.7I28 L43 I278 S279 A280 Q281 R285 S286 H287I28-L283 HydrophobicContact CD1-CD2 3.89Å; L43-L283 HydrophobicContact CD1-CD1 3.28Å; L43-L283 HydrophobicContact CD2-CD1 3.41Å; L43-L283 VanDerWaalsContact CD2-CD1 3.41Å; L43-L283 HydrophobicContact CG-CD1 3.88Å; I278-L283 HydrophobicContact CD1-CB 4.11Å; S279-L283 PolarHBondContact O-N 3.21Å; A280-L283 PolarHBondContact O-N 3.48Å; Q281-L283 VanDerWaalsContact C-N 3.3Å; Q281-L283 PolarHBondContact O-N 3.3Å; L283-R285 VanDerWaalsContact C-N 3.33Å; L283-R285 PolarHBondContact O-N 3.27Å; L283-S286 PolarHBondContact O-N 3.07Å; L283-S286 PolarHBondContact O-OG 3.26Å; L283-H287 PolarHBondContact O-N 3.32Å; L283-H287 VanDerWaalsContact O-N 3.16Å
284A65.4Low66.9Low57 Ų5754 Ų5447%0.47131%0.306SS..Hα-helixtrans-60.3-39.4178.900000112.7A280 Q281 S286 H287A280-A284 WeakPolarHBondContact O-CB 2.98Å; A280-A284 PolarHBondContact O-N 2.94Å; Q281-A284 PolarHBondContact O-N 2.99Å; A284-S286 PolarHBondContact O-N 2.85Å; A284-H287 WeakPolarHBondContact O-CB 3.05Å; A284-H287 PolarHBondContact O-N 3.11Å
285R66.5Low68Low97 Ų9757.8 Ų57.837%0.36632%0.321SS..Hα-helixtrans-60.2-43.4175.2-67.9-178.697.6-175.75.6112D96 Q281 H282 L283 H287 Q288D96-R285 PolarHBondContact O-NE 3.35Å; D96-R285 IonicContact OD1-CZ 3.31Å; D96-R285 VanDerWaalsContact OD1-CZ 3.31Å; D96-R285 IonicContact OD1-NH1 2.73Å; D96-R285 PolarHBondContact OD1-NH1 3.32Å; D96-R285 IonicContact OD1-NH2 3.59Å; D96-R285 PolarHBondContact OD1-NH2 3.39Å; D96-R285 VanDerWaalsContact OD1-NH2 3.11Å; D96-R285 IonicContact OD2-CZ 3.83Å; D96-R285 IonicContact OD2-NH1 3.95Å; D96-R285 IonicContact OD2-NH2 3.15Å; D96-R285 PolarHBondContact OD2-NH2 3.3Å; Q281-R285 WeakPolarHBondContact O-CG 3.35Å; Q281-R285 PolarHBondContact O-N 3.46Å; H282-R285 PolarHBondContact O-N 3.08Å; L283-R285 VanDerWaalsContact C-N 3.33Å; L283-R285 PolarHBondContact O-N 3.27Å; R285-H287 VanDerWaalsContact C-N 3.28Å; R285-H287 PolarHBondContact O-N 3.09Å; R285-Q288 PolarHBondContact O-N 3.1Å
286S65.7Low69.3Low12 Ų1258 Ų588%0.08432%0.322CS..Hα-helixtrans-67.1-27.6177.367.40000113.7L43 H282 L283 A284 Q288 H289 L290L43-S286 WeakPolarHBondContact CD2-OG 3.46Å; H282-S286 PolarHBondContact O-N 2.77Å; L283-S286 PolarHBondContact O-N 3.07Å; L283-S286 PolarHBondContact O-OG 3.26Å; A284-S286 PolarHBondContact O-N 2.85Å; S286-Q288 VanDerWaalsContact C-N 3.29Å; S286-Q288 PolarHBondContact O-N 3.16Å; S286-H289 PolarHBondContact O-N 2.9Å; S286-L290 WeakPolarHBondContact O-CG 3.44Å; S286-L290 PolarHBondContact O-N 3.17Å
287H66.3Low70.3Confident107 Ų10758.5 Ų58.550%0.49533%0.332SS..Hα-helixtrans-62.6-35.4-179.5-173.6-86.3000112.4L283 A284 R285 H289 L290 F291L283-H287 PolarHBondContact O-N 3.32Å; L283-H287 VanDerWaalsContact O-N 3.16Å; A284-H287 WeakPolarHBondContact O-CB 3.05Å; A284-H287 PolarHBondContact O-N 3.11Å; R285-H287 VanDerWaalsContact C-N 3.28Å; R285-H287 PolarHBondContact O-N 3.09Å; H287-H289 VanDerWaalsContact C-N 3.28Å; H287-H289 PolarHBondContact O-N 2.71Å; H287-L290 PolarHBondContact O-N 3.06Å; H287-F291 AromaticContact CD2-CD2 3.75Å; H287-F291 AromaticContact CD2-CE2 3.69Å; H287-F291 AromaticContact CE1-CD2 3.65Å; H287-F291 AromaticContact NE2-CD2 3.48Å; H287-F291 WeakPolarHBondContact NE2-CD2 3.48Å; H287-F291 AromaticContact NE2-CE2 3.54Å; H287-F291 PolarHBondContact O-N 2.86Å
288Q65.4Low71.7Confident64 Ų6464.4 Ų64.430%0.29936%0.359SS..Hα-helixtrans-62.9-32.8-179.8-68.7176-40.800112.7R285 S286 L344 H345R285-Q288 PolarHBondContact O-N 3.1Å; S286-Q288 VanDerWaalsContact C-N 3.29Å; S286-Q288 PolarHBondContact O-N 3.16Å; Q288-L344 PolarHBondContact NE2-O 3.19Å; Q288-H345 HydrophobicContact CB-CB 3.87Å; Q288-H345 HydrophobicContact CG-CB 4.2Å
289H62.9Low72.7Confident75 Ų7567.8 Ų67.835%0.34738%0.38SS..Hα-helixtrans-89.7-25.1179.6-57.7-61.7000113.5Q97 S286 H287 F291 H345Q97-H289 WeakPolarHBondContact CG-NE2 3.29Å; S286-H289 PolarHBondContact O-N 2.9Å; H287-H289 VanDerWaalsContact C-N 3.28Å; H287-H289 PolarHBondContact O-N 2.71Å; H289-F291 VanDerWaalsContact C-N 3.28Å; H289-H345 AromaticContact CE1-NE2 3.93Å
290L62Low73.8Confident63 Ų6372.5 Ų72.533%0.3340%0.404SS..Hα-helixtrans-71.8-26175.3-70.6169.6000112.3L43 S286 H287L43-L290 HydrophobicContact CD2-CD1 3.91Å; S286-L290 WeakPolarHBondContact O-CG 3.44Å; S286-L290 PolarHBondContact O-N 3.17Å; H287-L290 PolarHBondContact O-N 3.06Å
291F66.3Low74.5Confident105 Ų10570.3 Ų70.346%0.46138%0.384SS..SBendtrans-131.474-179.1-55-73.2000110.4L42 H287 H289L42-F291 HydrophobicContact CD1-CZ 3.98Å; H287-F291 AromaticContact CD2-CD2 3.75Å; H287-F291 AromaticContact CD2-CE2 3.69Å; H287-F291 AromaticContact CE1-CD2 3.65Å; H287-F291 AromaticContact NE2-CD2 3.48Å; H287-F291 WeakPolarHBondContact NE2-CD2 3.48Å; H287-F291 AromaticContact NE2-CE2 3.54Å; H287-F291 PolarHBondContact O-N 2.86Å; H289-F291 VanDerWaalsContact C-N 3.28Å
292P70.2Confident75.3Confident100 Ų10066.9 Ų66.965%0.64938%0.375SS*.PPolyproline II helixtrans-60.4142.6179.326.3-34.2000110.4G294P292-G294 PolarHBondContact O-N 2.63Å
293V80.5Confident75.5Confident33 Ų3373.7 Ų73.720%0.240%0.403CS..PPolyproline II helixtrans-60.4128.7171.7-173.80000108.1F296 I340 H345 C347V293-F296 HydrophobicContact CG1-CE1 3.66Å; V293-F296 HydrophobicContact CG1-CZ 4.24Å; V293-I340 HydrophobicContact CG1-CG2 4.26Å; V293-I340 HydrophobicContact CG2-CG2 4.49Å; V293-H345 WeakPolarHBondContact CG2-O 2.75Å; V293-C347 HydrophobicContact CG1-CB 4.49Å
294G81.3Confident75.7Confident44 Ų4480.9 Ų80.945%0.45444%0.437SS..PPolyproline II helixtrans-62.6144.8174.300000110.6P292 F296 H341P292-G294 PolarHBondContact O-N 2.63Å; G294-F296 WeakPolarHBondContact O-CD1 3.46Å; G294-F296 PolarHBondContact O-N 3.29Å; G294-H341 PolarHBondContact O-NE2 2.61Å
295T87.7Confident75.9Confident118 Ų11884 Ų8472%0.72444%0.439SS*.PPolyproline II helixtrans-57.6135.6178.650.30000110.9
296F92Very high75.7Confident15 Ų1582.8 Ų82.87%0.06644%0.438CS..PPolyproline II helixtrans-76.4144.5177.9-70.23.6000110.3V293 G294 E298 T324 C325 F332 N337 I340 H341 C347V293-F296 HydrophobicContact CG1-CE1 3.66Å; V293-F296 HydrophobicContact CG1-CZ 4.24Å; G294-F296 WeakPolarHBondContact O-CD1 3.46Å; G294-F296 PolarHBondContact O-N 3.29Å; F296-E298 PolarHBondContact O-N 2.85Å; F296-T324 CarbonylContact C-O 3.53Å; F296-T324 WeakPolarHBondContact CA-O 3.32Å; F296-C325 HydrophobicContact CD1-CB 4.13Å; F296-C325 HydrophobicContact CE1-CB 3.83Å; F296-C325 HydrophobicContact CE2-CB 4.36Å; F296-C325 HydrophobicContact CZ-CB 3.95Å; F296-F332 AromaticContact CD2-CD2 3.76Å; F296-F332 HydrophobicContact CD2-CD2 3.76Å; F296-F332 HydrophobicContact CD2-CE2 4.39Å; F296-F332 HydrophobicContact CD2-CG 4.44Å; F296-F332 HydrophobicContact CE2-CB 4.48Å; F296-F332 AromaticContact CE2-CD2 3.28Å; F296-F332 HydrophobicContact CE2-CD2 3.28Å; F296-F332 AromaticContact CE2-CE2 3.58Å; F296-F332 HydrophobicContact CE2-CE2 3.58Å; F296-F332 AromaticContact CE2-CG 3.97Å; F296-F332 HydrophobicContact CE2-CG 3.97Å; F296-F332 HydrophobicContact CE2-CZ 4.46Å; F296-F332 HydrophobicContact CZ-CD2 4.22Å; F296-F332 HydrophobicContact CZ-CE2 4.08Å; F296-N337 WeakPolarHBondContact CD2-OD1 3.43Å; F296-I340 HydrophobicContact CE2-CD1 3.93Å; F296-I340 HydrophobicContact CE2-CG2 4.45Å; F296-I340 HydrophobicContact CZ-CD1 4.27Å; F296-I340 HydrophobicContact CZ-CG2 4.02Å; F296-H341 AromaticContact CD1-CE1 3.87Å; F296-H341 AromaticContact CG-CE1 3.89Å; F296-C347 HydrophobicContact CE1-CB 4.38Å; F296-C347 HydrophobicContact CZ-CB 3.95Å
297A91Very high75.7Confident49 Ų4986.6 Ų86.641%0.40546%0.464SS..EExtended strand (participates in β ladder)trans-75123.3177.800000109.9T324A297-T324 PolarHBondContact N-O 3.29Å; A297-T324 PolarHBondContact O-N 3.43Å
298E92.8Very high76.3Confident124 Ų12487.5 Ų87.558%0.57947%0.473SS*.EExtended strand (participates in β ladder)trans-74.9127.5175.1-59.9-169.6-175.800110.3F296 Y323F296-E298 PolarHBondContact O-N 2.85Å; E298-Y323 HydrophobicContact CG-CD1 3.86Å; E298-Y323 HydrophobicContact CG-CE1 3.61Å
299V88.5Confident77.3Confident71 Ų7185.8 Ų85.843%0.4347%0.465SS..EExtended strand (participates in β ladder)trans-131.7118.5179.2-175.90000108.7A322V299-A322 PolarHBondContact N-O 3.47Å; V299-A322 PolarHBondContact O-N 3.14Å
300D86.4Confident78.6Confident109 Ų10987 Ų8758%0.58347%0.474SS*.EExtended strand (participates in β ladder)trans-69.6133.2172.4-65.1-51.1000109.9R321D300-R321 VanDerWaalsContact OD1-CG 3.28Å; D300-R321 WeakPolarHBondContact OD1-CG 3.28Å; D300-R321 IonicContact OD1-NE 2.83Å; D300-R321 PolarHBondContact OD1-NE 3.48Å
301I81.8Confident80.1Confident16 Ų1684 Ų848%0.08246%0.458CS..PPolyproline II helixtrans-92.1127.4179.6-59.2174.7000108.8K303 K305 E306 I309 I318 V320 A322I301-K303 PolarHBondContact O-N 2.89Å; I301-K305 HydrophobicContact CG2-CB 4.44Å; I301-E306 HydrophobicContact CG2-CG 4.44Å; I301-I309 HydrophobicContact CD1-CD1 4.23Å; I301-I309 HydrophobicContact CD1-CG2 4.37Å; I301-I309 HydrophobicContact CG1-CD1 4.31Å; I301-I309 HydrophobicContact CG2-CD1 3.85Å; I301-I318 HydrophobicContact CD1-CB 3.81Å; I301-I318 HydrophobicContact CD1-CG2 3.54Å; I301-I318 WeakPolarHBondContact CD1-O 3.49Å; I301-V320 PolarHBondContact N-O 2.82Å; I301-A322 HydrophobicContact CD1-CB 3.95Å; I301-A322 HydrophobicContact CG1-CB 4.14Å
302P78.8Confident81.4Confident79 Ų7984 Ų8451%0.51346%0.456SS..PPolyproline II helixtrans-60.7135.3171.8-19.630.8000110.6E304 K305P302-E304 PolarHBondContact O-N 2.92Å; P302-K305 PolarHBondContact O-N 2.82Å
303K69.7Low82.4Confident180 Ų18081 Ų8178%0.78344%0.443SS*.G310 helixtrans-50.6-30.2-177.9-66.6-173.4177.9-177.40114I301 K305I301-K303 PolarHBondContact O-N 2.89Å; K303-K305 PolarHBondContact O-N 3.27Å
304E69.4Low83.1Confident181 Ų18181.7 Ų81.785%0.84645%0.449SS*.G310 helixtrans-68.5-15.4179-62.4174.1-175.600114.2P302P302-E304 PolarHBondContact O-N 2.92Å
305K68.4Low83.6Confident121 Ų12186.7 Ų86.753%0.52646%0.458SS..G310 helixtrans-120.512-175.9-66.2-173.3178.4-179.70113.9I301 P302 K303 S307 D308 I309I301-K305 HydrophobicContact CG2-CB 4.44Å; P302-K305 PolarHBondContact O-N 2.82Å; K303-K305 PolarHBondContact O-N 3.27Å; K305-S307 PolarHBondContact O-N 2.9Å; K305-D308 PolarHBondContact O-N 2.77Å; K305-I309 HydrophobicContact CB-CD1 4.5Å
306E63.4Low83.7Confident73 Ų7386.3 Ų86.334%0.34145%0.451SS..THydrogen-bonded Turntrans-60.5-31.1-177.8-76.4179179.900112.9I301I301-E306 HydrophobicContact CG2-CG 4.44Å
307S64.9Low83.6Confident91 Ų9189.4 Ų89.464%0.63647%0.473SS*.THydrogen-bonded Turntrans-80.1-20.5-179.954.20000114.8K305K305-S307 PolarHBondContact O-N 2.9Å
308D79.3Confident83.4Confident127 Ų12787.3 Ų87.368%0.67946%0.455SS*.THydrogen-bonded Turntrans-96.2-13.2-167.5-68.4-2.3000112.9K305K305-D308 PolarHBondContact O-N 2.77Å
309I85.1Confident82.6Confident27 Ų2785.5 Ų85.514%0.13846%0.456CS..  trans-105.8107.4-174.1-59.1174.2000109.7I301 K305 I318 K331I301-I309 HydrophobicContact CD1-CD1 4.23Å; I301-I309 HydrophobicContact CD1-CG2 4.37Å; I301-I309 HydrophobicContact CG1-CD1 4.31Å; I301-I309 HydrophobicContact CG2-CD1 3.85Å; K305-I309 HydrophobicContact CB-CD1 4.5Å; I309-I318 HydrophobicContact CG2-CD1 4.05Å; I309-I318 PolarHBondContact O-N 2.59Å; I309-K331 HydrophobicContact CG2-CD 3.69Å
310L91.1Very high82.3Confident101 Ų10186.4 Ų86.453%0.52946%0.462SS..BIsolated β-bridgetrans-92.7142.9175.1-58.5169.9000110.9P317L310-P317 HydrophobicContact CD2-CB 4.37Å
311C93.2Very high82.4Confident0 Ų086.8 Ų86.80%046%0.455CS..  trans-67.5130170.7176.70000110.3G313 C314 F315 L316 I318 C333C311-G313 PolarHBondContact O-N 2.87Å; C311-G313 PolarHBondContact SG-N 2.68Å; C311-G313 VanDerWaalsContact SG-N 3.4Å; C311-C314 VanDerWaalsContact CB-SG 3.55Å; C311-F315 WeakPolarHBondContact O-CA 3.43Å; C311-F315 PolarHBondContact O-N 2.99Å; C311-L316 WeakPolarHBondContact CB-O 3.49Å; C311-L316 PolarHBondContact N-O 3.02Å; C311-I318 HydrophobicContact CB-CD1 3.98Å; C311-I318 HydrophobicContact CB-CG1 3.84Å; C311-C333 HydrophobicContact CB-CB 4.2Å; C311-C333 PolarHBondContact SG-N 2.84Å
312Y94.2Very high82.8Confident105 Ų10586.1 Ų86.141%0.41245%0.451SS..THydrogen-bonded Turntrans-65.3-27.7177.7-173.5-97.9000113.2N330 K331 F332 P348Y312-N330 HydrophobicContact CD1-CB 4.23Å; Y312-N330 HydrophobicContact CD2-CB 4.28Å; Y312-N330 HydrophobicContact CG-CB 3.91Å; Y312-K331 WeakPolarHBondContact CB-O 3.35Å; Y312-K331 PolarHBondContact N-O 3.4Å; Y312-F332 AromaticContact CD1-CE1 3.89Å; Y312-F332 HydrophobicContact CD1-CE1 3.89Å; Y312-F332 AromaticContact CD1-CZ 3.89Å; Y312-F332 HydrophobicContact CD1-CZ 3.89Å; Y312-F332 HydrophobicContact CG-CE1 4.44Å; Y312-F332 HydrophobicContact CG-CZ 4.48Å; Y312-P348 HydrophobicContact CE1-CB 4.45Å
313G91.7Very high83.5Confident36 Ų3683.3 Ų83.337%0.37143%0.431SS..THydrogen-bonded Turntrans-80.9-52.4-177.800000113.7C311C311-G313 PolarHBondContact O-N 2.87Å; C311-G313 PolarHBondContact SG-N 2.68Å; C311-G313 VanDerWaalsContact SG-N 3.4Å
314C93.5Very high84.6Confident48 Ų4876 Ų7632%0.32440%0.401SS..THydrogen-bonded Turntrans-107.2-4.5-174.663.40000114.4C311 L316C311-C314 VanDerWaalsContact CB-SG 3.55Å; C314-L316 HydrophobicContact CB-CD1 4.44Å; C314-L316 HydrophobicContact CB-CG 4.36Å; C314-L316 PolarHBondContact O-N 2.82Å; C314-L316 VanDerWaalsContact O-N 3.12Å
315F92Very high85.7Confident149 Ų14967.6 Ų67.665%0.65436%0.362SS*.  trans58.317.2-175.8-59.4-81.9000115.2C311C311-F315 WeakPolarHBondContact O-CA 3.43Å; C311-F315 PolarHBondContact O-N 2.99Å
316L91.3Very high86.8Confident110 Ų11066 Ų6658%0.57636%0.363SS*.  trans-88.8150.4173.4-62.6175.1000111.3C311 C314C311-L316 WeakPolarHBondContact CB-O 3.49Å; C311-L316 PolarHBondContact N-O 3.02Å; C314-L316 HydrophobicContact CB-CD1 4.44Å; C314-L316 HydrophobicContact CB-CG 4.36Å; C314-L316 PolarHBondContact O-N 2.82Å; C314-L316 VanDerWaalsContact O-N 3.12Å
317P88.9Confident88Confident81 Ų8169.8 Ų69.853%0.52638%0.383SS..BIsolated β-bridgetrans-62.9138.8175.126.7-34000111.2L310L310-P317 HydrophobicContact CD2-CB 4.37Å
318I86.9Confident89.4Confident4 Ų467.2 Ų67.22%0.02136%0.364CS..  trans-93115-178.6-59.8169.1000109.4I301 I309 C311 R321 A322 K331 C333I301-I318 HydrophobicContact CD1-CB 3.81Å; I301-I318 HydrophobicContact CD1-CG2 3.54Å; I301-I318 WeakPolarHBondContact CD1-O 3.49Å; I309-I318 HydrophobicContact CG2-CD1 4.05Å; I309-I318 PolarHBondContact O-N 2.59Å; C311-I318 HydrophobicContact CB-CD1 3.98Å; C311-I318 HydrophobicContact CB-CG1 3.84Å; I318-R321 WeakPolarHBondContact CG2-O 3.34Å; I318-A322 HydrophobicContact CD1-CB 4.28Å; I318-A322 HydrophobicContact CG2-CB 4.27Å; I318-K331 HydrophobicContact CD1-CB 4.12Å; I318-C333 HydrophobicContact CG1-CB 4.23Å
319S77.3Confident90Very high87 Ų8768.9 Ų68.961%0.60837%0.365SS*.  trans-89.8137.9172.258.60000111.4R321S319-R321 VanDerWaalsContact C-N 3.29Å; S319-R321 PolarHBondContact O-N 3.09Å
320V80.9Confident90.4Very high90 Ų9069.7 Ų69.755%0.54537%0.37SS..SBendtrans70.5-60.7171-161.40000115.5I301I301-V320 PolarHBondContact N-O 2.82Å
321R88Confident90.5Very high117 Ų11769 Ų6944%0.44236%0.363SS..EExtended strand (participates in β ladder)trans-135.5130.7-172.7-72.9-175.8179.51685.2113.1D300 I318 S319D300-R321 VanDerWaalsContact OD1-CG 3.28Å; D300-R321 WeakPolarHBondContact OD1-CG 3.28Å; D300-R321 IonicContact OD1-NE 2.83Å; D300-R321 PolarHBondContact OD1-NE 3.48Å; I318-R321 WeakPolarHBondContact CG2-O 3.34Å; S319-R321 VanDerWaalsContact C-N 3.29Å; S319-R321 PolarHBondContact O-N 3.09Å
322A91Very high90.5Very high1 Ų169 Ų691%0.00836%0.363CS..EExtended strand (participates in β ladder)trans-103.3139.9168.900000111.3V299 I301 I318 K331V299-A322 PolarHBondContact N-O 3.47Å; V299-A322 PolarHBondContact O-N 3.14Å; I301-A322 HydrophobicContact CD1-CB 3.95Å; I301-A322 HydrophobicContact CG1-CB 4.14Å; I318-A322 HydrophobicContact CD1-CB 4.28Å; I318-A322 HydrophobicContact CG2-CB 4.27Å; A322-K331 HydrophobicContact CB-CB 4.35Å; A322-K331 HydrophobicContact CB-CD 4.44Å; A322-K331 HydrophobicContact CB-CG 4.46Å
323Y93.4Very high90.5Very high21 Ų2164.8 Ų64.88%0.08235%0.348CS..EExtended strand (participates in β ladder)trans-101.4113171.6-63.3-92000108.5E298 F332 I334 N337E298-Y323 HydrophobicContact CG-CD1 3.86Å; E298-Y323 HydrophobicContact CG-CE1 3.61Å; Y323-F332 PolarHBondContact N-O 3.26Å; Y323-F332 PolarHBondContact O-N 2.7Å; Y323-I334 HydrophobicContact CD2-CB 4.5Å; Y323-I334 HydrophobicContact CE2-CB 3.7Å; Y323-I334 HydrophobicContact CE2-CG1 4Å; Y323-N337 HydrophobicContact CD1-CB 4.21Å; Y323-N337 HydrophobicContact CD2-CB 3.94Å; Y323-N337 HydrophobicContact CG-CB 3.74Å
324T93.4Very high90.5Very high25 Ų2567.1 Ų67.115%0.15335%0.351CS..EExtended strand (participates in β ladder)trans-103.7124.6-173.3-53.50000110.9F296 A297 T326 N330F296-T324 CarbonylContact C-O 3.53Å; F296-T324 WeakPolarHBondContact CA-O 3.32Å; A297-T324 PolarHBondContact N-O 3.29Å; A297-T324 PolarHBondContact O-N 3.43Å; T324-T326 PolarHBondContact O-N 3.03Å; T324-N330 WeakPolarHBondContact CA-O 3.25Å
325C92.7Very high90.5Very high5 Ų570.2 Ų70.23%0.03437%0.365CS..  trans-65.5131.6175.7-179.50000110.7F296 M327 K329 N330 F332 C347F296-C325 HydrophobicContact CD1-CB 4.13Å; F296-C325 HydrophobicContact CE1-CB 3.83Å; F296-C325 HydrophobicContact CE2-CB 4.36Å; F296-C325 HydrophobicContact CZ-CB 3.95Å; C325-M327 PolarHBondContact O-N 3.38Å; C325-K329 WeakPolarHBondContact O-CA 3.26Å; C325-K329 PolarHBondContact O-N 3.5Å; C325-N330 PolarHBondContact N-O 2.97Å; C325-F332 HydrophobicContact CB-CE2 4.23Å; C325-C347 VanDerWaalsContact SG-SG 3.64Å
326T90Very high90.5Very high89 Ų8964.1 Ų64.155%0.54634%0.34SS..THydrogen-bonded Turntrans-67.8-21.3-178.652.60000113.7T324T324-T326 PolarHBondContact O-N 3.03Å
327M89.9Confident90.6Very high152 Ų15259.9 Ų59.975%0.74932%0.318SS*.THydrogen-bonded Turntrans-94.1-67.1-176.7-61.5-63.5-68.900112.1C325C325-M327 PolarHBondContact O-N 3.38Å
328C93.3Very high90.6Very high37 Ų3759.8 Ų59.825%0.2531%0.313CS..THydrogen-bonded Turntrans-83.1-11.4-178670000114N330 C347 G349C328-N330 PolarHBondContact O-N 3.34Å; C328-N330 VanDerWaalsContact O-N 3.17Å; C328-C347 VanDerWaalsContact SG-SG 3.7Å; C328-G349 WeakPolarHBondContact CB-O 3.29Å
329K92.4Very high90.9Very high162 Ų16265 Ų6570%0.70434%0.336SS*.  trans62.213.4-178.1-54.8-174.9179.4-1790115.5C325C325-K329 WeakPolarHBondContact O-CA 3.26Å; C325-K329 PolarHBondContact O-N 3.5Å
330N93.1Very high91.5Very high43 Ų4361 Ų6123%0.2331%0.307CS..  trans-69.5148.5171.2-69-22.5000111.1Y312 T324 C325 C328 F332Y312-N330 HydrophobicContact CD1-CB 4.23Å; Y312-N330 HydrophobicContact CD2-CB 4.28Å; Y312-N330 HydrophobicContact CG-CB 3.91Å; T324-N330 WeakPolarHBondContact CA-O 3.25Å; C325-N330 PolarHBondContact N-O 2.97Å; C328-N330 PolarHBondContact O-N 3.34Å; C328-N330 VanDerWaalsContact O-N 3.17Å; N330-F332 HydrophobicContact CB-CE2 3.93Å; N330-F332 HydrophobicContact CB-CZ 4.14Å
331K93.1Very high91.7Very high87 Ų8759.2 Ų59.238%0.37829%0.293SS..EExtended strand (participates in β ladder)trans-102.6137.1-178.1-64.3175.4-176.5166.60110.7I309 Y312 I318 A322I309-K331 HydrophobicContact CG2-CD 3.69Å; Y312-K331 WeakPolarHBondContact CB-O 3.35Å; Y312-K331 PolarHBondContact N-O 3.4Å; I318-K331 HydrophobicContact CD1-CB 4.12Å; A322-K331 HydrophobicContact CB-CB 4.35Å; A322-K331 HydrophobicContact CB-CD 4.44Å; A322-K331 HydrophobicContact CB-CG 4.46Å
332F94.2Very high91.4Very high0 Ų060 Ų600%030%0.302CS..EExtended strand (participates in β ladder)trans-126.5149-179.7-61.1-87.2000110.7F296 Y312 Y323 C325 N330 C336 I340 P348F296-F332 AromaticContact CD2-CD2 3.76Å; F296-F332 HydrophobicContact CD2-CD2 3.76Å; F296-F332 HydrophobicContact CD2-CE2 4.39Å; F296-F332 HydrophobicContact CD2-CG 4.44Å; F296-F332 HydrophobicContact CE2-CB 4.48Å; F296-F332 AromaticContact CE2-CD2 3.28Å; F296-F332 HydrophobicContact CE2-CD2 3.28Å; F296-F332 AromaticContact CE2-CE2 3.58Å; F296-F332 HydrophobicContact CE2-CE2 3.58Å; F296-F332 AromaticContact CE2-CG 3.97Å; F296-F332 HydrophobicContact CE2-CG 3.97Å; F296-F332 HydrophobicContact CE2-CZ 4.46Å; F296-F332 HydrophobicContact CZ-CD2 4.22Å; F296-F332 HydrophobicContact CZ-CE2 4.08Å; Y312-F332 AromaticContact CD1-CE1 3.89Å; Y312-F332 HydrophobicContact CD1-CE1 3.89Å; Y312-F332 AromaticContact CD1-CZ 3.89Å; Y312-F332 HydrophobicContact CD1-CZ 3.89Å; Y312-F332 HydrophobicContact CG-CE1 4.44Å; Y312-F332 HydrophobicContact CG-CZ 4.48Å; Y323-F332 PolarHBondContact N-O 3.26Å; Y323-F332 PolarHBondContact O-N 2.7Å; C325-F332 HydrophobicContact CB-CE2 4.23Å; N330-F332 HydrophobicContact CB-CE2 3.93Å; N330-F332 HydrophobicContact CB-CZ 4.14Å; F332-C336 HydrophobicContact CB-CB 4.09Å; F332-C336 HydrophobicContact CD1-CB 4.08Å; F332-I340 HydrophobicContact CD1-CD1 3.64Å; F332-I340 HydrophobicContact CD2-CD1 4.44Å; F332-I340 HydrophobicContact CE1-CD1 3.64Å; F332-I340 HydrophobicContact CE2-CD1 4.44Å; F332-I340 HydrophobicContact CG-CD1 4.05Å; F332-I340 HydrophobicContact CZ-CD1 4.05Å; F332-P348 HydrophobicContact CE1-CG 4.35Å
333C93.1Very high91Very high16 Ų1664 Ų6411%0.10833%0.326CS..  trans-74.3170.7166.869.10000110.7C311 I318 D335 C336 N337C311-C333 HydrophobicContact CB-CB 4.2Å; C311-C333 PolarHBondContact SG-N 2.84Å; I318-C333 HydrophobicContact CG1-CB 4.23Å; C333-D335 VanDerWaalsContact C-N 3.34Å; C333-D335 PolarHBondContact O-N 3.15Å; C333-C336 PolarHBondContact O-N 2.85Å; C333-C336 PolarHBondContact SG-N 2.96Å; C333-C336 VanDerWaalsContact SG-N 3.42Å; C333-N337 WeakPolarHBondContact O-CB 3.46Å; C333-N337 PolarHBondContact O-N 2.76Å
334I91.7Very high90.7Very high85 Ų8566 Ų6644%0.43634%0.338SS..Hα-helixtrans-58.3-42.9179.2-168.5166000112.7Y323 C336 N337 L338Y323-I334 HydrophobicContact CD2-CB 4.5Å; Y323-I334 HydrophobicContact CE2-CB 3.7Å; Y323-I334 HydrophobicContact CE2-CG1 4Å; I334-C336 PolarHBondContact O-N 2.85Å; I334-N337 WeakPolarHBondContact O-CB 3.35Å; I334-N337 PolarHBondContact O-N 3.48Å; I334-L338 HydrophobicContact CG1-CD1 4.17Å; I334-L338 WeakPolarHBondContact O-CG 3.4Å; I334-L338 PolarHBondContact O-N 2.92Å
335D93.1Very high90.2Very high114 Ų11466.9 Ų66.961%0.6134%0.34SS*.Hα-helixtrans-66-42.7-178.3-51.7-50.1000111.6C333 N337 L338 F339C333-D335 VanDerWaalsContact C-N 3.34Å; C333-D335 PolarHBondContact O-N 3.15Å; D335-N337 VanDerWaalsContact C-N 3.34Å; D335-L338 PolarHBondContact O-N 3.31Å; D335-F339 WeakPolarHBondContact O-CB 3.46Å; D335-F339 PolarHBondContact O-N 2.86Å
336C93.6Very high89.9Confident20 Ų2070.1 Ų70.114%0.13536%0.359CS..Hα-helixtrans-66.1-38.5174.6-73.80000111.2F332 C333 I334 F339 I340F332-C336 HydrophobicContact CB-CB 4.09Å; F332-C336 HydrophobicContact CD1-CB 4.08Å; C333-C336 PolarHBondContact O-N 2.85Å; C333-C336 PolarHBondContact SG-N 2.96Å; C333-C336 VanDerWaalsContact SG-N 3.42Å; I334-C336 PolarHBondContact O-N 2.85Å; C336-F339 PolarHBondContact O-N 3.05Å; C336-I340 WeakPolarHBondContact O-CB 2.81Å; C336-I340 WeakPolarHBondContact O-CD1 3.4Å; C336-I340 WeakPolarHBondContact O-CG1 3.42Å; C336-I340 PolarHBondContact O-N 3.48Å
337N92.2Very high89.9Confident22 Ų2266.1 Ų66.112%0.11834%0.335CS..Hα-helixtrans-61-48.1175.9-178.664.3000111.3F296 Y323 C333 I334 D335 I340 H341F296-N337 WeakPolarHBondContact CD2-OD1 3.43Å; Y323-N337 HydrophobicContact CD1-CB 4.21Å; Y323-N337 HydrophobicContact CD2-CB 3.94Å; Y323-N337 HydrophobicContact CG-CB 3.74Å; C333-N337 WeakPolarHBondContact O-CB 3.46Å; C333-N337 PolarHBondContact O-N 2.76Å; I334-N337 WeakPolarHBondContact O-CB 3.35Å; I334-N337 PolarHBondContact O-N 3.48Å; D335-N337 VanDerWaalsContact C-N 3.34Å; N337-I340 PolarHBondContact O-N 3.19Å; N337-H341 PolarHBondContact O-N 2.69Å; N337-H341 VanDerWaalsContact O-N 3.09Å; N337-H341 PolarHBondContact O-ND1 3.08Å; N337-H341 PolarHBondContact OD1-CE1 2.86Å; N337-H341 PolarHBondContact OD1-ND1 2.8Å
338L90.3Very high90Very high79 Ų7961.9 Ų61.941%0.41432%0.319SS..Hα-helixtrans-59.6-50.9175.5-72.8166000111I334 D335 I340 H341 E342I334-L338 HydrophobicContact CG1-CD1 4.17Å; I334-L338 WeakPolarHBondContact O-CG 3.4Å; I334-L338 PolarHBondContact O-N 2.92Å; D335-L338 PolarHBondContact O-N 3.31Å; L338-I340 VanDerWaalsContact C-N 3.29Å; L338-I340 PolarHBondContact O-N 2.77Å; L338-H341 PolarHBondContact O-N 3.21Å; L338-H341 VanDerWaalsContact O-N 3.12Å; L338-E342 WeakPolarHBondContact O-CB 3.48Å; L338-E342 WeakPolarHBondContact O-CG 3Å; L338-E342 PolarHBondContact O-N 2.7Å
339F91.8Very high89.9Confident114 Ų11461.3 Ų61.350%0.532%0.319SS..Hα-helixtrans-58.5-39.5179.2-175.4-102.5000112.9D335 C336 T343 L344D335-F339 WeakPolarHBondContact O-CB 3.46Å; D335-F339 PolarHBondContact O-N 2.86Å; C336-F339 PolarHBondContact O-N 3.05Å; F339-T343 HydrophobicContact CD2-CG2 4.36Å; F339-T343 HydrophobicContact CE2-CG2 3.73Å; F339-T343 HydrophobicContact CZ-CG2 4.11Å; F339-T343 WeakPolarHBondContact O-CA 3.48Å; F339-T343 WeakPolarHBondContact O-CB 3.37Å; F339-T343 PolarHBondContact O-N 3.25Å; F339-L344 HydrophobicContact CD1-CB 4.34Å; F339-L344 HydrophobicContact CE1-CB 4.15Å; F339-L344 PolarHBondContact O-N 2.63Å
340I89.6Confident89.7Confident3 Ų358.7 Ų58.72%0.01532%0.32CS..Iπ-helixtrans-65-43.6177.1-72164.5000111.4V293 F296 F332 C336 N337 L338 L344 H345 P348V293-I340 HydrophobicContact CG1-CG2 4.26Å; V293-I340 HydrophobicContact CG2-CG2 4.49Å; F296-I340 HydrophobicContact CE2-CD1 3.93Å; F296-I340 HydrophobicContact CE2-CG2 4.45Å; F296-I340 HydrophobicContact CZ-CD1 4.27Å; F296-I340 HydrophobicContact CZ-CG2 4.02Å; F332-I340 HydrophobicContact CD1-CD1 3.64Å; F332-I340 HydrophobicContact CD2-CD1 4.44Å; F332-I340 HydrophobicContact CE1-CD1 3.64Å; F332-I340 HydrophobicContact CE2-CD1 4.44Å; F332-I340 HydrophobicContact CG-CD1 4.05Å; F332-I340 HydrophobicContact CZ-CD1 4.05Å; C336-I340 WeakPolarHBondContact O-CB 2.81Å; C336-I340 WeakPolarHBondContact O-CD1 3.4Å; C336-I340 WeakPolarHBondContact O-CG1 3.42Å; C336-I340 PolarHBondContact O-N 3.48Å; N337-I340 PolarHBondContact O-N 3.19Å; L338-I340 VanDerWaalsContact C-N 3.29Å; L338-I340 PolarHBondContact O-N 2.77Å; I340-L344 HydrophobicContact CG1-CD2 4.39Å; I340-H345 VanDerWaalsContact O-CA 3.26Å; I340-H345 WeakPolarHBondContact O-CA 3.49Å; I340-H345 PolarHBondContact O-N 3.33Å; I340-P348 HydrophobicContact CD1-CG 4.16Å; I340-P348 HydrophobicContact CG1-CG 4.32Å
341H86Confident89.5Confident51 Ų5159.5 Ų59.524%0.23633%0.325CS..Iπ-helixtrans-81.1-31.5-175.2-70.782.5000113.2G294 F296 N337 L338 H345G294-H341 PolarHBondContact O-NE2 2.61Å; F296-H341 AromaticContact CD1-CE1 3.87Å; F296-H341 AromaticContact CG-CE1 3.89Å; N337-H341 PolarHBondContact O-N 2.69Å; N337-H341 VanDerWaalsContact O-N 3.09Å; N337-H341 PolarHBondContact O-ND1 3.08Å; N337-H341 PolarHBondContact OD1-CE1 2.86Å; N337-H341 PolarHBondContact OD1-ND1 2.8Å; L338-H341 PolarHBondContact O-N 3.21Å; L338-H341 VanDerWaalsContact O-N 3.12Å; H341-H345 PolarHBondContact O-CE1 3.24Å; H341-H345 PolarHBondContact O-ND1 2.98Å
342E82.1Confident89.3Confident135 Ų13558.1 Ų58.163%0.63132%0.322SS*.Iπ-helixtrans-94.2-35.5-176.5-66.3-178.7172.900113.8L338 H345L338-E342 WeakPolarHBondContact O-CB 3.48Å; L338-E342 WeakPolarHBondContact O-CG 3Å; L338-E342 PolarHBondContact O-N 2.7Å; E342-H345 PolarHBondContact O-CE1 3.38Å; E342-H345 VanDerWaalsContact O-CE1 3.27Å; E342-H345 PolarHBondContact O-NE2 3.18Å
343T82.9Confident89.1Confident84 Ų8461.3 Ų61.352%0.51534%0.34SS..Iπ-helixtrans-118.5-51.7-170.4-52.90000113.1F339F339-T343 HydrophobicContact CD2-CG2 4.36Å; F339-T343 HydrophobicContact CE2-CG2 3.73Å; F339-T343 HydrophobicContact CZ-CG2 4.11Å; F339-T343 WeakPolarHBondContact O-CA 3.48Å; F339-T343 WeakPolarHBondContact O-CB 3.37Å; F339-T343 PolarHBondContact O-N 3.25Å
344L86Confident88.8Confident63 Ų6363.9 Ų63.933%0.3335%0.354SS..Iπ-helixtrans-76.8-34.2-172.6-166.461.6000112.2Q288 F339 I340 V346 P348Q288-L344 PolarHBondContact NE2-O 3.19Å; F339-L344 HydrophobicContact CD1-CB 4.34Å; F339-L344 HydrophobicContact CE1-CB 4.15Å; F339-L344 PolarHBondContact O-N 2.63Å; I340-L344 HydrophobicContact CG1-CD2 4.39Å; L344-V346 VanDerWaalsContact CD2-O 3.3Å; L344-V346 WeakPolarHBondContact CD2-O 3.41Å; L344-V346 PolarHBondContact O-N 3.2Å; L344-P348 HydrophobicContact CD2-CG 3.72Å
345H82.9Confident88.6Confident44 Ų4462.6 Ų62.620%0.20435%0.348CS..  trans49.124.5-175.2-58.2-56.2000114.4Q288 H289 V293 I340 H341 E342Q288-H345 HydrophobicContact CB-CB 3.87Å; Q288-H345 HydrophobicContact CG-CB 4.2Å; H289-H345 AromaticContact CE1-NE2 3.93Å; V293-H345 WeakPolarHBondContact CG2-O 2.75Å; I340-H345 VanDerWaalsContact O-CA 3.26Å; I340-H345 WeakPolarHBondContact O-CA 3.49Å; I340-H345 PolarHBondContact O-N 3.33Å; H341-H345 PolarHBondContact O-CE1 3.24Å; H341-H345 PolarHBondContact O-ND1 2.98Å; E342-H345 PolarHBondContact O-CE1 3.38Å; E342-H345 VanDerWaalsContact O-CE1 3.27Å; E342-H345 PolarHBondContact O-NE2 3.18Å
346V87Confident88.3Confident72 Ų7259.2 Ų59.244%0.43633%0.331SS..SBendtrans-146.5134.9175.3-179.60000107.9L344 P348L344-V346 VanDerWaalsContact CD2-O 3.3Å; L344-V346 WeakPolarHBondContact CD2-O 3.41Å; L344-V346 PolarHBondContact O-N 3.2Å; V346-P348 WeakPolarHBondContact O-CD 3.29Å
347C89.9Confident88Confident6 Ų662 Ų624%0.04135%0.345CS..  trans-73121.4172.1177.40000109.4V293 F296 C325 C328 G349 C350V293-C347 HydrophobicContact CG1-CB 4.49Å; F296-C347 HydrophobicContact CE1-CB 4.38Å; F296-C347 HydrophobicContact CZ-CB 3.95Å; C325-C347 VanDerWaalsContact SG-SG 3.64Å; C328-C347 VanDerWaalsContact SG-SG 3.7Å; C347-G349 PolarHBondContact O-N 3.22Å; C347-C350 HydrophobicContact CB-CB 4.14Å; C347-C350 PolarHBondContact O-N 2.82Å
348P92Very high87.7Confident63 Ų6365.1 Ų65.141%0.40936%0.362SS..THydrogen-bonded Turntrans-60.7-18.4-178.4-24.432.7000115.4Y312 F332 I340 L344 V346Y312-P348 HydrophobicContact CE1-CB 4.45Å; F332-P348 HydrophobicContact CE1-CG 4.35Å; I340-P348 HydrophobicContact CD1-CG 4.16Å; I340-P348 HydrophobicContact CG1-CG 4.32Å; L344-P348 HydrophobicContact CD2-CG 3.72Å; V346-P348 WeakPolarHBondContact O-CD 3.29Å
349G90.3Very high87.4Confident25 Ų2563.9 Ų63.926%0.25836%0.358SS..THydrogen-bonded Turntrans-91.9-13.6178.200000114.8C328 C347C328-G349 WeakPolarHBondContact CB-O 3.29Å; C347-G349 PolarHBondContact O-N 3.22Å
350C88.7Confident87Confident107 Ų10759.4 Ų59.472%0.72335%0.345SS*.  trans-96.90174.5-61.70000108.8C347C347-C350 HydrophobicContact CB-CB 4.14Å; C347-C350 PolarHBondContact O-N 2.82Å

Retrieved 350 of 350 residues in 60 ms (Link to these results)