A0A077ZLR0_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZLR0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 266 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
1M28Very low32.7Very low246 Ų246131.2 Ų131.2100%1.21268%0.677SS**  0110.60-74.7168.36700106.7A3M1-A3 PolarHBondContact O-N 3.1Å
2T29.5Very low33.3Very low134 Ų134128.3 Ų128.382%0.82266%0.659SS**  trans-62.7119-177.439.40000109.7E4T2-E4 PolarHBondContact O-N 2.99Å; T2-E4 VanDerWaalsContact O-N 3.1Å
3A28Very low33.8Very low97 Ų97125.7 Ų125.780%0.80265%0.647SS**  trans-67.3104.417000000107.9M1 T5M1-A3 PolarHBondContact O-N 3.1Å; A3-T5 PolarHBondContact O-N 3.33Å
4E28.8Very low34.2Very low168 Ų168118.1 Ų118.179%0.78561%0.609SS**  trans-63.7121.9170.7-67.3-175.3152.900108.4T2T2-E4 PolarHBondContact O-N 2.99Å; T2-E4 VanDerWaalsContact O-N 3.1Å
5T29.2Very low34.5Very low97 Ų97110.3 Ų110.360%0.59557%0.569SS**  trans-64.4139.6-179.6360000111A3 D7A3-T5 PolarHBondContact O-N 3.33Å; T5-D7 PolarHBondContact O-N 3.25Å
6P33Very low34.6Very low90 Ų90105.1 Ų105.158%0.58454%0.543SS*.G310 helixtrans-61.6-10-178.2-21.932.1000115.5R8 W9P6-R8 PolarHBondContact O-N 3.49Å; P6-W9 PolarHBondContact O-N 3.02Å
7D35.4Very low34.7Very low93 Ų93107.5 Ų107.550%0.49754%0.544SS..G310 helixtrans-59-21.6-169.7-64-52.1000114.9T5 W9 R141T5-D7 PolarHBondContact O-N 3.25Å; D7-W9 PolarHBondContact O-N 2.7Å; D7-R141 IonicContact OD1-NH2 3.72Å
8R29.5Very low34.6Very low229 Ų229102.2 Ų102.286%0.86452%0.519SS*.G310 helixtrans-77.5-14.1-178.2-88.4-174.2171.7176.9-1.5115.3P6P6-R8 PolarHBondContact O-N 3.49Å
9W32Very low34.4Very low160 Ų16099.4 Ų99.461%0.60651%0.513SS*.SBendtrans-101-18.8-163.6-63.998.7000115.5P6 D7 R92P6-W9 PolarHBondContact O-N 3.02Å; D7-W9 PolarHBondContact O-N 2.7Å; W9-R92 PolarHBondContact O-NH1 3.36Å
10I43.5Very low34.2Very low24 Ų2497.2 Ų97.212%0.12350%0.502CS..  trans-114.997.9-173.9-39.5179.7000109.1A97 Y142I10-A97 HydrophobicContact CD1-CB 4.29Å; I10-A97 HydrophobicContact CG1-CB 3.86Å; I10-A97 HydrophobicContact CG2-CB 4.32Å; I10-Y142 HydrophobicContact CB-CD1 3.83Å; I10-Y142 HydrophobicContact CB-CE1 3.32Å; I10-Y142 HydrophobicContact CD1-CD1 4.4Å; I10-Y142 HydrophobicContact CD1-CD2 4.23Å; I10-Y142 HydrophobicContact CD1-CE1 4.3Å; I10-Y142 HydrophobicContact CD1-CE2 4.1Å; I10-Y142 HydrophobicContact CD1-CG 4.33Å; I10-Y142 HydrophobicContact CG1-CE1 4.34Å; I10-Y142 HydrophobicContact CG2-CD1 3.23Å; I10-Y142 HydrophobicContact CG2-CE1 3.27Å; I10-Y142 HydrophobicContact CG2-CG 4.03Å; I10-Y142 WeakPolarHBondContact O-CE1 3.39Å; I10-Y142 PolarHBondContact O-OH 3.18Å
11D42.5Very low34.1Very low105 Ų10599.9 Ų99.956%0.56151%0.51SS*.  trans-68.6146.3172.1-154-33.9000110.1D13 V14D11-D13 PolarHBondContact O-N 3.44Å; D11-V14 PolarHBondContact O-N 2.89Å
12E39.9Very low34Very low97 Ų9791.7 Ų91.745%0.45347%0.47SS..Hα-helixtrans-59.4-30.2-178.4-69-160-172.900111.8V14 S15 V16 R144E12-V14 PolarHBondContact O-N 3.33Å; E12-S15 PolarHBondContact O-N 3.47Å; E12-S15 PolarHBondContact O-OG 3.37Å; E12-V16 WeakPolarHBondContact O-CG2 3.33Å; E12-R144 IonicContact OE2-CZ 3.51Å; E12-R144 IonicContact OE2-NH1 3.57Å; E12-R144 PolarHBondContact OE2-NH1 2.81Å; E12-R144 IonicContact OE2-NH2 3.66Å
13D40.4Very low33.8Very low94 Ų9494.4 Ų94.450%0.50347%0.465SS..Hα-helixtrans-69.1-32.5-175-77-23.8000114.3D11 S15 V16 Y89D11-D13 PolarHBondContact O-N 3.44Å; D13-S15 VanDerWaalsContact C-N 3.29Å; D13-S15 PolarHBondContact O-N 3.08Å; D13-V16 PolarHBondContact O-N 2.94Å; D13-Y89 HydrophobicContact CB-CE1 4.35Å
14V39.7Very low33.8Very low19 Ų1993.6 Ų93.612%0.11544%0.442CS..Hα-helixtrans-65-37.3179.5179.10000110.8D11 E12 V16 R92D11-V14 PolarHBondContact O-N 2.89Å; E12-V14 PolarHBondContact O-N 3.33Å; V14-V16 VanDerWaalsContact C-N 3.34Å; V14-V16 PolarHBondContact O-N 3.05Å; V14-R92 HydrophobicContact CG2-CB 4.32Å
15S38.6Very low33.8Very low1 Ų187.5 Ų87.51%0.00742%0.424CS..Hα-helixtrans-70.9-29.4-177.769.30000113.2E12 D13 R17 R141 Y142 R144E12-S15 PolarHBondContact O-N 3.47Å; E12-S15 PolarHBondContact O-OG 3.37Å; D13-S15 VanDerWaalsContact C-N 3.29Å; D13-S15 PolarHBondContact O-N 3.08Å; S15-R17 VanDerWaalsContact C-N 3.33Å; S15-R17 PolarHBondContact O-N 3.07Å; S15-R141 PolarHBondContact OG-O 2.67Å; S15-R141 VanDerWaalsContact OG-O 3.14Å; S15-Y142 WeakPolarHBondContact CB-O 3.19Å; S15-R144 CarbonylContact O-C 3.58Å
16V35.1Very low33.9Very low27 Ų2789.5 Ų89.516%0.16442%0.421CS..Hα-helixtrans-68.8-32.6-170170.60000111.4E12 D13 V14 R144 F145 L146 V157E12-V16 WeakPolarHBondContact O-CG2 3.33Å; D13-V16 PolarHBondContact O-N 2.94Å; V14-V16 VanDerWaalsContact C-N 3.34Å; V14-V16 PolarHBondContact O-N 3.05Å; V16-R144 HydrophobicContact CG2-CB 4.45Å; V16-F145 CarbonylContact O-C 3.34Å; V16-L146 HydrophobicContact CG1-CD2 3.35Å; V16-L146 HydrophobicContact CG1-CG 4.09Å; V16-L146 WeakPolarHBondContact O-CG 3.23Å; V16-L146 PolarHBondContact O-N 2.81Å; V16-L146 VanDerWaalsContact O-N 3.17Å; V16-V157 HydrophobicContact CG1-CG1 4.27Å; V16-V157 HydrophobicContact CG1-CG2 3.93Å; V16-V157 HydrophobicContact CG2-CG1 4.29Å
17R36.5Very low34Very low147 Ų14786.5 Ų86.556%0.55541%0.407SS*.THydrogen-bonded Turntrans-1039.2-169.7-84.4-175173.2-177.11.8117.2S15 A19 L146S15-R17 VanDerWaalsContact C-N 3.33Å; S15-R17 PolarHBondContact O-N 3.07Å; R17-A19 PolarHBondContact O-N 3.41Å; R17-L146 HydrophobicContact CG-CD1 3.62Å; R17-L146 HydrophobicContact CG-CG 4.26Å
18A32.8Very low34.1Very low11 Ų1183.3 Ų83.39%0.09139%0.391CS..  trans-49.1114.9172.800000110.4
19A31.2Very low34.2Very low49 Ų4981.1 Ų81.141%0.40538%0.383SS..EExtended strand (participates in β ladder)trans-70.9136.1-166.900000111R17 K21 D84 A87R17-A19 PolarHBondContact O-N 3.41Å; A19-K21 PolarHBondContact O-N 3.39Å; A19-D84 HydrophobicContact CB-CB 4.31Å; A19-D84 VanDerWaalsContact O-CB 3.29Å; A19-D84 WeakPolarHBondContact O-CB 3.46Å; A19-D84 PolarHBondContact O-N 3.16Å; A19-A87 HydrophobicContact CB-CB 4.28Å
20L30.8Very low34.3Very low56 Ų5677.6 Ų77.629%0.29338%0.376SS..EExtended strand (participates in β ladder)trans-78.696.2174.3-154.896.9000108.4I22 I81 V82 F83 F145 W147L20-I22 HydrophobicContact CD2-CD1 4.37Å; L20-I22 HydrophobicContact CD2-CG1 4.24Å; L20-I81 HydrophobicContact CD1-CG2 3.33Å; L20-I81 HydrophobicContact CD2-CD1 4.47Å; L20-I81 HydrophobicContact CD2-CG1 4.21Å; L20-I81 HydrophobicContact CD2-CG2 4.31Å; L20-I81 HydrophobicContact CG-CG2 3.78Å; L20-V82 CarbonylContact C-O 3.5Å; L20-V82 WeakPolarHBondContact CA-O 3.33Å; L20-F83 HydrophobicContact CD1-CD1 4.5Å; L20-F83 HydrophobicContact CD1-CE1 3.93Å; L20-F83 HydrophobicContact CD1-CZ 4.4Å; L20-F145 HydrophobicContact CD1-CD2 4.28Å; L20-W147 HydrophobicContact CD1-CE3 4.41Å; L20-W147 HydrophobicContact CD1-CZ3 4.45Å; L20-W147 HydrophobicContact CD2-CE3 4.08Å; L20-W147 HydrophobicContact CD2-CZ3 3.61Å
21K30.9Very low33.8Very low153 Ų15384.8 Ų84.867%0.66540%0.401SS*.EExtended strand (participates in β ladder)trans-83.6172.3157-170.8169.8-170.2172.10106.8A19 I81 V82A19-K21 PolarHBondContact O-N 3.39Å; K21-I81 CarbonylContact O-C 3.4Å; K21-V82 HydrophobicContact CB-CB 3.81Å; K21-V82 HydrophobicContact CB-CG1 4.37Å; K21-V82 HydrophobicContact CB-CG2 4.18Å; K21-V82 HydrophobicContact CG-CG2 4.4Å; K21-V82 PolarHBondContact N-O 3.17Å; K21-V82 CarbonylContact O-C 3.11Å; K21-V82 WeakPolarHBondContact O-CA 3.46Å; K21-V82 WeakPolarHBondContact O-CB 3.49Å; K21-V82 PolarHBondContact O-N 3.11Å
22I26.3Very low33.6Very low74 Ų7485.6 Ų85.638%0.37940%0.401SS..  trans-125.689-166.1-77.9-163.5000109.4L20 E79 Q80L20-I22 HydrophobicContact CD2-CD1 4.37Å; L20-I22 HydrophobicContact CD2-CG1 4.24Å; I22-E79 VanDerWaalsContact CG2-C 3.48Å; I22-E79 HydrophobicContact CG2-CB 3.65Å; I22-E79 HydrophobicContact CG2-CG 4.2Å; I22-Q80 CarbonylContact C-O 3.35Å; I22-Q80 VanDerWaalsContact CA-C 3.4Å; I22-Q80 WeakPolarHBondContact CA-O 3.45Å; I22-Q80 WeakPolarHBondContact CB-O 3.44Å; I22-Q80 WeakPolarHBondContact CG1-O 3.38Å; I22-Q80 WeakPolarHBondContact CG2-O 3.37Å
23R25.3Very low33.2Very low192 Ų19285 Ų8573%0.72541%0.413SS*.  trans-129144.8169.2-73.4-163.1173.1157.6-5.8117Q80 I81 V82R23-Q80 VanDerWaalsContact C-CD 3.42Å; R23-Q80 VanDerWaalsContact C-CG 3.48Å; R23-Q80 VanDerWaalsContact CA-CD 3.41Å; R23-Q80 HydrophobicContact CB-CB 4.46Å; R23-Q80 HydrophobicContact CB-CG 4.38Å; R23-Q80 VanDerWaalsContact O-CB 3.29Å; R23-Q80 WeakPolarHBondContact O-CB 3.2Å; R23-I81 CarbonylContact O-C 3.53Å; R23-I81 PolarHBondContact O-N 3.48Å; R23-V82 HydrophobicContact CB-CG2 3.37Å; R23-V82 HydrophobicContact CG-CG2 4.05Å
24Y27.3Very low32.9Very low79 Ų7984 Ų8431%0.3143%0.425SS..  trans-106.3138.4-150.3-83.3-51.8000109.2E78 E79 Q80Y24-E78 HydrophobicContact CD2-CB 4.13Å; Y24-E78 HydrophobicContact CD2-CG 4.22Å; Y24-E78 WeakPolarHBondContact CD2-OE2 3.25Å; Y24-E78 HydrophobicContact CE1-CG 4.48Å; Y24-E78 HydrophobicContact CE2-CB 3.09Å; Y24-E78 HydrophobicContact CE2-CG 3.3Å; Y24-E78 WeakPolarHBondContact CE2-O 3.02Å; Y24-E78 VanDerWaalsContact CE2-OE2 3.29Å; Y24-E78 WeakPolarHBondContact CE2-OE2 3.36Å; Y24-E78 VanDerWaalsContact CZ-CA 3.46Å; Y24-E78 VanDerWaalsContact CZ-CG 3.43Å; Y24-E78 WeakPolarHBondContact OH-CA 3.44Å; Y24-E78 WeakPolarHBondContact OH-CB 3.45Å; Y24-E78 WeakPolarHBondContact OH-CG 3.36Å; Y24-E78 PolarHBondContact OH-O 3.32Å; Y24-E79 WeakPolarHBondContact CE1-O 3.23Å; Y24-E79 WeakPolarHBondContact OH-CA 3.45Å; Y24-E79 PolarHBondContact OH-N 3.07Å; Y24-E79 PolarHBondContact OH-O 3.26Å; Y24-Q80 HydrophobicContact CD1-CB 3.21Å; Y24-Q80 HydrophobicContact CD1-CG 3.8Å; Y24-Q80 HydrophobicContact CD2-CB 3.63Å; Y24-Q80 HydrophobicContact CD2-CG 3.12Å; Y24-Q80 HydrophobicContact CE1-CB 3.66Å; Y24-Q80 HydrophobicContact CE1-CG 4.15Å; Y24-Q80 HydrophobicContact CE2-CB 3.87Å; Y24-Q80 HydrophobicContact CE2-CG 3.36Å; Y24-Q80 HydrophobicContact CG-CB 3.11Å; Y24-Q80 HydrophobicContact CG-CG 3.19Å; Y24-Q80 VanDerWaalsContact CG-NE2 3.32Å
25G30.1Very low32.4Very low40 Ų4095.4 Ų95.441%0.41247%0.466SS..  trans-174.5142.2166.200000109.7L53G25-L53 WeakPolarHBondContact O-CD2 3.02Å
26R32Very low32.1Very low139 Ų13998.7 Ų98.753%0.52550%0.5SS..SBendtrans-72.5145.7-170.3-69.4-177.9177-178.95.2114.4L53 E127 A128R26-L53 VanDerWaalsContact CA-CD2 3.49Å; R26-L53 VanDerWaalsContact CA-CG 3.48Å; R26-L53 HydrophobicContact CB-CD1 4.33Å; R26-L53 HydrophobicContact CB-CD2 4.45Å; R26-L53 HydrophobicContact CB-CG 4.01Å; R26-L53 HydrophobicContact CG-CD1 3.89Å; R26-L53 HydrophobicContact CG-CG 3.85Å; R26-E127 VanDerWaalsContact CD-OE1 3.3Å; R26-E127 WeakPolarHBondContact CD-OE1 3.4Å; R26-A128 WeakPolarHBondContact O-CB 3.38Å
27G33.7Very low32.1Very low28 Ų28104.1 Ų104.129%0.28952%0.521SS..  trans89.6106.9161.900000117.2S131G27-S131 WeakPolarHBondContact O-CB 3.39Å; G27-S131 PolarHBondContact O-OG 3.2Å
28C37Very low32.1Very low25 Ų2599.9 Ų99.917%0.16952%0.515CS..  trans-166.6109163.7-103.10000111.4L30 F54 M160C28-L30 PolarHBondContact O-N 2.68Å; C28-F54 VanDerWaalsContact C-CZ 3.43Å; C28-F54 VanDerWaalsContact N-CE1 3.32Å; C28-F54 WeakPolarHBondContact O-CZ 3.48Å; C28-M160 HydrophobicContact CB-SD 4.31Å
29R32.3Very low32.1Very low184 Ų184104.4 Ų104.469%0.69454%0.543SS*.PPolyproline II helixtrans-75.8116.3177.8-83.3-172.1-102.6-169.1-5.8111.5F54 N161R29-F54 HydrophobicContact CG-CE1 4.45Å; R29-N161 PolarHBondContact O-ND2 3.29Å; R29-N161 VanDerWaalsContact O-ND2 3.14Å
30L34.2Very low32.6Very low86 Ų86106.7 Ų106.745%0.4555%0.552SS.*EExtended strand (participates in β ladder)trans-79.9135.6172.1-62.7174.3000110.6C28 F145 F158 M160C28-L30 PolarHBondContact O-N 2.68Å; L30-F145 HydrophobicContact CD1-CZ 4.1Å; L30-F145 HydrophobicContact CD2-CE1 3.54Å; L30-F145 HydrophobicContact CD2-CZ 3.49Å; L30-F145 VanDerWaalsContact CD2-CZ 3.49Å; L30-F145 HydrophobicContact CG-CZ 4.46Å; L30-F158 HydrophobicContact CB-CD1 4.34Å; L30-F158 HydrophobicContact CD1-CD1 4.18Å; L30-F158 HydrophobicContact CD1-CE1 4.47Å; L30-M160 HydrophobicContact CD2-CE 4.03Å; L30-M160 HydrophobicContact CD2-SD 3.67Å
31R33Very low33.1Very low175 Ų175109.6 Ų109.666%0.6656%0.564SS**EExtended strand (participates in β ladder)trans-103129.8164.4-84.1-175.5171.4-160-0.6108.6N161R31-N161 WeakPolarHBondContact CG-ND2 3.28Å; R31-N161 PolarHBondContact N-ND2 3.3Å
32Q38Very low33.4Very low121 Ų121107.7 Ų107.757%0.56556%0.561SS**PPolyproline II helixtrans-83.4123.9172.1-172.8179.7-0.400108.6
33A32.5Very low33.8Very low85 Ų85112.3 Ų112.370%0.70258%0.578SS**PPolyproline II helixtrans-72.1129.7165.700000109.1
34G32.9Very low34.6Very low73 Ų73113.2 Ų113.275%0.75358%0.581SS**PPolyproline II helixtrans-66.4167.2-175.500000113.8
35R30Very low35Very low259 Ų259115.4 Ų115.498%0.97759%0.593SS**  cis-142.1153.29.8-97-175.9176.9-159.70.6110.9
36G31.5Very low35.2Very low70 Ų70116.9 Ų116.972%0.72260%0.601SS**  trans114.664.8142.300000118.3
37K36.4Very low35.4Very low140 Ų140118.5 Ų118.561%0.60961%0.612SS**  trans-150150.4155.3-67-162.3178.91800111.5
38S35Very low35.4Very low59 Ų59127 Ų12741%0.41364%0.635SS.*  trans-74.4155.3-162.769.80000115.3T40 Q41S38-T40 PolarHBondContact O-N 3.36Å; S38-Q41 PolarHBondContact O-N 3.47Å; S38-Q41 VanDerWaalsContact O-N 3.07Å
39P34.7Very low35.1Very low106 Ų106129.5 Ų129.569%0.68866%0.658SS**Hα-helixtrans-55.5-26.9-179.2-2634.4000114.8L42 K43P39-L42 PolarHBondContact O-N 3.19Å; P39-K43 PolarHBondContact O-N 3.4Å
40T40.9Very low34.9Very low97 Ų97131 Ų13160%0.59566%0.664SS**Hα-helixtrans-73.4-27.2-178.5-37.20000112.6S38S38-T40 PolarHBondContact O-N 3.36Å
41Q41.9Very low34.6Very low116 Ų116132.1 Ų132.154%0.54267%0.674SS.*Hα-helixtrans-78.6-28.6174.8-67.6-166.8-3200112.2S38S38-Q41 PolarHBondContact O-N 3.47Å; S38-Q41 VanDerWaalsContact O-N 3.07Å
42L36.8Very low34.4Very low114 Ų114128.3 Ų128.360%0.59766%0.664SS**Hα-helixtrans-67.5-36.5171.2-108.985.9000112.3P39 R44 F45 A46P39-L42 PolarHBondContact O-N 3.19Å; L42-R44 PolarHBondContact O-N 3.47Å; L42-F45 PolarHBondContact O-N 3.33Å; L42-A46 PolarHBondContact O-N 2.93Å
43K35.1Very low33.8Very low171 Ų171125.5 Ų125.574%0.74365%0.652SS**Hα-helixtrans-69.3-27.8-177.2-78.7-175.4175.8-176.60114.5P39P39-K43 PolarHBondContact O-N 3.4Å
44R40.8Very low33.7Very low210 Ų210126.2 Ų126.279%0.79264%0.64SS**Hα-helixtrans-83.8-26177.5-75.4-176.1177.4173.5-0.5113.3L42L42-R44 PolarHBondContact O-N 3.47Å
45F36.3Very low33.6Very low125 Ų125128.4 Ų128.455%0.54863%0.634SS.*Hα-helixtrans-77.1-34-179.9-173-106000112.8L42 K47L42-F45 PolarHBondContact O-N 3.33Å; F45-K47 PolarHBondContact O-N 3.09Å; F45-K47 VanDerWaalsContact O-N 3.15Å
46A35.2Very low33.8Very low72 Ų72123.6 Ų123.660%0.59562%0.621SS**THydrogen-bonded Turntrans-66.1-1217400000114.1L42L42-A46 PolarHBondContact O-N 2.93Å
47K34.8Very low34Very low172 Ų172124.6 Ų124.675%0.74862%0.617SS**THydrogen-bonded Turntrans-86.6-10.5-175.6-157.8171-179.2-179.80114.1F45F45-K47 PolarHBondContact O-N 3.09Å; F45-K47 VanDerWaalsContact O-N 3.15Å
48R34.4Very low34.1Very low206 Ų206126.4 Ų126.478%0.77763%0.627SS**SBendtrans-113.6-6.3-180-80.2-173.6-175.81763.7115.4E151R48-E151 IonicContact CZ-OE1 3.95Å; R48-E151 IonicContact NH1-OE1 3.96Å; R48-E151 PolarHBondContact NH1-OE1 3.43Å
49A30.1Very low33.9Very low79 Ų79130.6 Ų130.665%0.65364%0.644SS**  trans-98.330.4-178.600000113.8T51A49-T51 PolarHBondContact O-N 3.17Å
50R27.9Very low33.8Very low216 Ų216129.5 Ų129.582%0.81565%0.652SS**  trans-84.488.7178.1-81.8-175.9174.9-177.4-3.3110.2
51T28.9Very low33.4Very low108 Ų108133.8 Ų133.866%0.66367%0.665SS**SBendtrans-176.7112.514426.40000110.5A49A49-T51 PolarHBondContact O-N 3.17Å
52H27.7Very low33.2Very low96 Ų96135.3 Ų135.344%0.44468%0.682SS.*SBendtrans64.573155.2-51.7-54.9000119.8E78H52-E78 IonicContact CD2-OE1 3.31Å
53L26.5Very low33Very low61 Ų61135.8 Ų135.832%0.31969%0.692SS.*SBendtrans-179133.5146.1-116.1100.8000107.3G25 R26G25-L53 WeakPolarHBondContact O-CD2 3.02Å; R26-L53 VanDerWaalsContact CA-CD2 3.49Å; R26-L53 VanDerWaalsContact CA-CG 3.48Å; R26-L53 HydrophobicContact CB-CD1 4.33Å; R26-L53 HydrophobicContact CB-CD2 4.45Å; R26-L53 HydrophobicContact CB-CG 4.01Å; R26-L53 HydrophobicContact CG-CD1 3.89Å; R26-L53 HydrophobicContact CG-CG 3.85Å
54F29.2Very low32.7Very low101 Ų101131 Ų13144%0.44369%0.691SS.*SBendtrans82.5121.2-172.2-50-75.9000116C28 R29 F56C28-F54 VanDerWaalsContact C-CZ 3.43Å; C28-F54 VanDerWaalsContact N-CE1 3.32Å; C28-F54 WeakPolarHBondContact O-CZ 3.48Å; R29-F54 HydrophobicContact CG-CE1 4.45Å; F54-F56 HydrophobicContact CB-CD2 3.93Å; F54-F56 HydrophobicContact CB-CE2 3.55Å; F54-F56 HydrophobicContact CB-CZ 4.23Å; F54-F56 HydrophobicContact CG-CE2 4.35Å; F54-F56 PolarHBondContact O-N 3.14Å
55D31.6Very low32.1Very low119 Ų119132.2 Ų132.264%0.63670%0.697SS**  trans-76.7105.4168.8-176.58.4000109.7S57D55-S57 WeakPolarHBondContact OD1-CB 3.32Å; D55-S57 PolarHBondContact OD1-N 3.19Å; D55-S57 PolarHBondContact OD1-OG 3.03Å; D55-S57 PolarHBondContact OD2-OG 3.45Å
56F35.3Very low31.7Very low157 Ų157130.5 Ų130.569%0.68971%0.707SS**  trans-101.212.6172.1-74.5-78.6000112F54 Q58F54-F56 HydrophobicContact CB-CD2 3.93Å; F54-F56 HydrophobicContact CB-CE2 3.55Å; F54-F56 HydrophobicContact CB-CZ 4.23Å; F54-F56 HydrophobicContact CG-CE2 4.35Å; F54-F56 PolarHBondContact O-N 3.14Å; F56-Q58 PolarHBondContact O-N 3.15Å; F56-Q58 VanDerWaalsContact O-N 3.14Å
57S35.1Very low31.3Very low91 Ų91139 Ų13964%0.63672%0.723SS**THydrogen-bonded Turntrans-69.6-5.5-176.769.60000114.6D55 L59D55-S57 WeakPolarHBondContact OD1-CB 3.32Å; D55-S57 PolarHBondContact OD1-N 3.19Å; D55-S57 PolarHBondContact OD1-OG 3.03Å; D55-S57 PolarHBondContact OD2-OG 3.45Å; S57-L59 VanDerWaalsContact C-N 3.29Å; S57-L59 PolarHBondContact O-N 3.02Å
58Q37.4Very low30.8Very low179 Ų179139.2 Ų139.284%0.83673%0.727SS**THydrogen-bonded Turntrans-85.613.7176.9-62.7-161.7-000115F56F56-Q58 PolarHBondContact O-N 3.15Å; F56-Q58 VanDerWaalsContact O-N 3.14Å
59L31.7Very low30.5Very low147 Ų147136.1 Ų136.177%0.7773%0.731SS**SBendtrans-114.1106.2170.1-76.7164.4000108.9S57S57-L59 VanDerWaalsContact C-N 3.29Å; S57-L59 PolarHBondContact O-N 3.02Å
60G32.3Very low30.3Very low82 Ų82137.5 Ų137.585%0.84573%0.731SS**  trans-54.6146-169.600000116.3
61E33.3Very low30.5Very low188 Ų188132.7 Ų132.788%0.87973%0.726SS**  trans-65.5151.4179.6-57.1177.614700113.8
62V36.5Very low30.3Very low147 Ų147136 Ų13689%0.89173%0.734SS**  -152.6139.1123.5-170.90000109.1
63P32.4Very low30.5Very low124 Ų124138.6 Ų138.681%0.80575%0.751SS**  trans-103.4164.4-158.934.1-22.3000115.4
64G29.6Very low30.8Very low71 Ų71141.9 Ų141.973%0.73277%0.765SS**  trans169.5109.4166.700000115.8
65Y28.8Very low31Very low235 Ų235145.3 Ų145.392%0.92279%0.786SS**  trans81.4107.7157-92.4-99.3000123
66A27.1Very low30.9Very low90 Ų90148.2 Ų148.274%0.74479%0.788SS**  trans72.4148130.400000121
67R26.3Very low30.7Very low250 Ų250148 Ų14894%0.94379%0.793SS**  cis-163.1153.4-17.1-129.1-179.1-176.8175.10.5105.8
68E25.2Very low30.9Very low176 Ų176148.1 Ų148.182%0.82278%0.783SS**  trans-89.9151-169.1-164.8172.4-150.700113.7
69V27.9Very low31.3Very low141 Ų141146.4 Ų146.486%0.85578%0.776SS**  trans-138.9122.5158.7178.80000108.5
70T25.2Very low32Very low109 Ų109142 Ų14267%0.66975%0.751SS**  trans-82.3135.2-177.2-35.10000111.3
71V32.2Very low33.4Very low115 Ų115141.5 Ų141.570%0.69773%0.728SS**  trans-123.2116159.31780000107.4N73V71-N73 PolarHBondContact O-N 2.88Å
72E25.1Very low34.8Very low177 Ų177134.7 Ų134.783%0.82770%0.699SS**  trans-79.3102.4171.8-68.5-179.6155.800109.4
73N31.3Very low36.4Very low151 Ų151129.5 Ų129.581%0.80767%0.665SS**  trans170.896153.4-104.6-18.4000109V71V71-N73 PolarHBondContact O-N 2.88Å
74E34.2Very low38.2Very low130 Ų130126 Ų12661%0.60764%0.639SS**  trans-14486.9179.4-63.4-173.4174.700112.3R76E74-R76 HydrophobicContact CB-CG 3.88Å; E74-R76 PolarHBondContact O-N 2.85Å; E74-R76 IonicContact OE2-NE 3.65Å; E74-R76 PolarHBondContact OE2-NE 3.45Å
75L32.3Very low40.1Very low172 Ų172123.3 Ų123.390%0.90161%0.609SS**  trans-51.793134.4-91.4154.9000105.5I77L75-I77 PolarHBondContact O-N 3.41Å
76R29.6Very low42.3Very low180 Ų180114.7 Ų114.768%0.67958%0.584SS**  trans-67.587.2178.6-83.3-173.8170.7170.3-2.6108.1E74 E78E74-R76 HydrophobicContact CB-CG 3.88Å; E74-R76 PolarHBondContact O-N 2.85Å; E74-R76 IonicContact OE2-NE 3.65Å; E74-R76 PolarHBondContact OE2-NE 3.45Å; R76-E78 PolarHBondContact O-N 3.06Å
77I30.9Very low44.5Very low154 Ų154111.7 Ų111.779%0.7956%0.559SS**  trans-70.894.6164.7-58.4173.6000105L75 E79L75-I77 PolarHBondContact O-N 3.41Å; I77-E79 PolarHBondContact O-N 3.06Å
78E39.9Very low46.8Very low92 Ų92104.5 Ų104.543%0.4354%0.542SS..  trans-89.3109.5-179.2-150-162.8-125.700100.2Y24 H52 R76 Q80Y24-E78 HydrophobicContact CD2-CB 4.13Å; Y24-E78 HydrophobicContact CD2-CG 4.22Å; Y24-E78 WeakPolarHBondContact CD2-OE2 3.25Å; Y24-E78 HydrophobicContact CE1-CG 4.48Å; Y24-E78 HydrophobicContact CE2-CB 3.09Å; Y24-E78 HydrophobicContact CE2-CG 3.3Å; Y24-E78 WeakPolarHBondContact CE2-O 3.02Å; Y24-E78 VanDerWaalsContact CE2-OE2 3.29Å; Y24-E78 WeakPolarHBondContact CE2-OE2 3.36Å; Y24-E78 VanDerWaalsContact CZ-CA 3.46Å; Y24-E78 VanDerWaalsContact CZ-CG 3.43Å; Y24-E78 WeakPolarHBondContact OH-CA 3.44Å; Y24-E78 WeakPolarHBondContact OH-CB 3.45Å; Y24-E78 WeakPolarHBondContact OH-CG 3.36Å; Y24-E78 PolarHBondContact OH-O 3.32Å; H52-E78 IonicContact CD2-OE1 3.31Å; R76-E78 PolarHBondContact O-N 3.06Å; E78-Q80 WeakPolarHBondContact O-CG 3.38Å
79E44.6Very low48.9Very low144 Ų14499.3 Ų99.367%0.67352%0.516SS*.  trans-71.2118.6166.9-70.1-173.8168.800115.3I22 Y24 I77I22-E79 VanDerWaalsContact CG2-C 3.48Å; I22-E79 HydrophobicContact CG2-CB 3.65Å; I22-E79 HydrophobicContact CG2-CG 4.2Å; Y24-E79 WeakPolarHBondContact CE1-O 3.23Å; Y24-E79 WeakPolarHBondContact OH-CA 3.45Å; Y24-E79 PolarHBondContact OH-N 3.07Å; Y24-E79 PolarHBondContact OH-O 3.26Å; I77-E79 PolarHBondContact O-N 3.06Å
80Q46.3Very low51.4Low53 Ų5399.9 Ų99.925%0.24851%0.509CS..  trans-108.2-167-171.9-10.3-173.3-67.100115.3I22 R23 Y24 E78I22-Q80 CarbonylContact C-O 3.35Å; I22-Q80 VanDerWaalsContact CA-C 3.4Å; I22-Q80 WeakPolarHBondContact CA-O 3.45Å; I22-Q80 WeakPolarHBondContact CB-O 3.44Å; I22-Q80 WeakPolarHBondContact CG1-O 3.38Å; I22-Q80 WeakPolarHBondContact CG2-O 3.37Å; R23-Q80 VanDerWaalsContact C-CD 3.42Å; R23-Q80 VanDerWaalsContact C-CG 3.48Å; R23-Q80 VanDerWaalsContact CA-CD 3.41Å; R23-Q80 HydrophobicContact CB-CB 4.46Å; R23-Q80 HydrophobicContact CB-CG 4.38Å; R23-Q80 VanDerWaalsContact O-CB 3.29Å; R23-Q80 WeakPolarHBondContact O-CB 3.2Å; Y24-Q80 HydrophobicContact CD1-CB 3.21Å; Y24-Q80 HydrophobicContact CD1-CG 3.8Å; Y24-Q80 HydrophobicContact CD2-CB 3.63Å; Y24-Q80 HydrophobicContact CD2-CG 3.12Å; Y24-Q80 HydrophobicContact CE1-CB 3.66Å; Y24-Q80 HydrophobicContact CE1-CG 4.15Å; Y24-Q80 HydrophobicContact CE2-CB 3.87Å; Y24-Q80 HydrophobicContact CE2-CG 3.36Å; Y24-Q80 HydrophobicContact CG-CB 3.11Å; Y24-Q80 HydrophobicContact CG-CG 3.19Å; Y24-Q80 VanDerWaalsContact CG-NE2 3.32Å; E78-Q80 WeakPolarHBondContact O-CG 3.38Å
81I61.7Low54.1Low73 Ų7397.7 Ų97.737%0.37451%0.509SS..  trans-135117.6175.8-65.5177.2000112.1L20 K21 R23 F83 W147L20-I81 HydrophobicContact CD1-CG2 3.33Å; L20-I81 HydrophobicContact CD2-CD1 4.47Å; L20-I81 HydrophobicContact CD2-CG1 4.21Å; L20-I81 HydrophobicContact CD2-CG2 4.31Å; L20-I81 HydrophobicContact CG-CG2 3.78Å; K21-I81 CarbonylContact O-C 3.4Å; R23-I81 CarbonylContact O-C 3.53Å; R23-I81 PolarHBondContact O-N 3.48Å; I81-F83 HydrophobicContact CG2-CD2 4.44Å; I81-F83 HydrophobicContact CG2-CE1 4.05Å; I81-F83 HydrophobicContact CG2-CE2 3.68Å; I81-F83 HydrophobicContact CG2-CZ 3.43Å; I81-F83 VanDerWaalsContact CG2-CZ 3.43Å; I81-W147 HydrophobicContact CD1-CH2 4.27Å; I81-W147 HydrophobicContact CD1-CZ3 3.79Å
82V64Low56.1Low45 Ų4598.2 Ų98.227%0.27350%0.498SS..EExtended strand (participates in β ladder)trans-107.1131171.4-172.20000110.2L20 K21 R23L20-V82 CarbonylContact C-O 3.5Å; L20-V82 WeakPolarHBondContact CA-O 3.33Å; K21-V82 HydrophobicContact CB-CB 3.81Å; K21-V82 HydrophobicContact CB-CG1 4.37Å; K21-V82 HydrophobicContact CB-CG2 4.18Å; K21-V82 HydrophobicContact CG-CG2 4.4Å; K21-V82 PolarHBondContact N-O 3.17Å; K21-V82 CarbonylContact O-C 3.11Å; K21-V82 WeakPolarHBondContact O-CA 3.46Å; K21-V82 WeakPolarHBondContact O-CB 3.49Å; K21-V82 PolarHBondContact O-N 3.11Å; R23-V82 HydrophobicContact CB-CG2 3.37Å; R23-V82 HydrophobicContact CG-CG2 4.05Å
83F70.2Confident58.5Low37 Ų3789.9 Ų89.916%0.16246%0.459CS..EExtended strand (participates in β ladder)trans-92.1110.1168.5-59.4-79.5000109.1L20 I81 S85 F145 M160 T164L20-F83 HydrophobicContact CD1-CD1 4.5Å; L20-F83 HydrophobicContact CD1-CE1 3.93Å; L20-F83 HydrophobicContact CD1-CZ 4.4Å; I81-F83 HydrophobicContact CG2-CD2 4.44Å; I81-F83 HydrophobicContact CG2-CE1 4.05Å; I81-F83 HydrophobicContact CG2-CE2 3.68Å; I81-F83 HydrophobicContact CG2-CZ 3.43Å; I81-F83 VanDerWaalsContact CG2-CZ 3.43Å; F83-S85 PolarHBondContact O-N 3.47Å; F83-S85 VanDerWaalsContact O-N 3.16Å; F83-F145 HydrophobicContact CD1-CB 4.04Å; F83-F145 HydrophobicContact CD1-CD1 4.17Å; F83-F145 HydrophobicContact CD1-CG 4.08Å; F83-F145 HydrophobicContact CE1-CB 4.01Å; F83-F145 AromaticContact CE1-CD1 3.56Å; F83-F145 HydrophobicContact CE1-CD1 3.56Å; F83-F145 AromaticContact CE1-CD2 3.86Å; F83-F145 HydrophobicContact CE1-CD2 3.86Å; F83-F145 AromaticContact CE1-CE1 3.87Å; F83-F145 HydrophobicContact CE1-CE1 3.87Å; F83-F145 HydrophobicContact CE1-CE2 4.14Å; F83-F145 AromaticContact CE1-CG 3.55Å; F83-F145 HydrophobicContact CE1-CG 3.55Å; F83-F145 HydrophobicContact CE1-CZ 4.13Å; F83-F145 HydrophobicContact CZ-CD1 4.41Å; F83-F145 HydrophobicContact CZ-CE1 4.3Å; F83-F145 HydrophobicContact CZ-CZ 4.4Å; F83-M160 HydrophobicContact CD1-CE 4.32Å; F83-M160 HydrophobicContact CD2-CE 4.06Å; F83-M160 HydrophobicContact CE1-CE 3.55Å; F83-M160 HydrophobicContact CE2-CE 3.24Å; F83-M160 HydrophobicContact CZ-CE 2.95Å; F83-T164 HydrophobicContact CD2-CG2 3.78Å; F83-T164 HydrophobicContact CE2-CG2 4.17Å; F83-T164 HydrophobicContact CG-CG2 4.21Å
84D69.8Low60.5Low51 Ų5183.2 Ų83.227%0.27342%0.423SS..EExtended strand (participates in β ladder)trans-82.493.2178-168.8-4.2000111.1A19 S86 A87A19-D84 HydrophobicContact CB-CB 4.31Å; A19-D84 VanDerWaalsContact O-CB 3.29Å; A19-D84 WeakPolarHBondContact O-CB 3.46Å; A19-D84 PolarHBondContact O-N 3.16Å; D84-S86 PolarHBondContact O-N 3.41Å; D84-S86 WeakPolarHBondContact OD1-CA 3.11Å; D84-S86 WeakPolarHBondContact OD1-CB 3.19Å; D84-S86 PolarHBondContact OD1-N 3.31Å; D84-S86 PolarHBondContact OD1-OG 3.09Å; D84-A87 HydrophobicContact CB-CB 4.44Å; D84-A87 WeakPolarHBondContact O-CB 3.5Å; D84-A87 PolarHBondContact O-N 3.29Å; D84-A87 PolarHBondContact OD1-N 2.82Å
85S70.6Confident62.4Low14 Ų1480.6 Ų80.610%0.09841%0.41CS..THydrogen-bonded Turntrans-68.5-12.4173.256.20000113.8F83 L94 K95F83-S85 PolarHBondContact O-N 3.47Å; F83-S85 VanDerWaalsContact O-N 3.16Å; S85-L94 PolarHBondContact O-N 2.87Å; S85-K95 VanDerWaalsContact O-CB 3.28Å; S85-K95 WeakPolarHBondContact O-CB 3.42Å; S85-K95 PolarHBondContact O-N 2.88Å
86S73.9Confident64.4Low55 Ų5577.5 Ų77.539%0.38539%0.394SS..THydrogen-bonded Turntrans-92.9-1.3177.8690000113.8D84 V88D84-S86 PolarHBondContact O-N 3.41Å; D84-S86 WeakPolarHBondContact OD1-CA 3.11Å; D84-S86 WeakPolarHBondContact OD1-CB 3.19Å; D84-S86 PolarHBondContact OD1-N 3.31Å; D84-S86 PolarHBondContact OD1-OG 3.09Å; S86-V88 PolarHBondContact O-N 3.47Å
87A73.9Confident66.6Low27 Ų2770.1 Ų70.122%0.22337%0.372CS..  trans-60.4120173.600000110.1A19 D84 S93A19-A87 HydrophobicContact CB-CB 4.28Å; D84-A87 HydrophobicContact CB-CB 4.44Å; D84-A87 WeakPolarHBondContact O-CB 3.5Å; D84-A87 PolarHBondContact O-N 3.29Å; D84-A87 PolarHBondContact OD1-N 2.82Å; A87-S93 WeakPolarHBondContact O-CA 3.33Å; A87-S93 WeakPolarHBondContact O-CB 3.26Å
88V74.7Confident68.5Low99 Ų9963.6 Ų63.660%0.634%0.339SS*.  trans-88.2130.3-178.6-179.90000109.7S86 R92S86-V88 PolarHBondContact O-N 3.47Å; V88-R92 WeakPolarHBondContact CA-O 3.45Å
89Y68.9Low69.7Low67 Ų6762.9 Ų62.926%0.26334%0.342SS..BIsolated β-bridgetrans-128.9129.8169.5-179.7-104.3000108.7D13 G91 R92D13-Y89 HydrophobicContact CB-CE1 4.35Å; Y89-G91 PolarHBondContact O-N 3.22Å; Y89-R92 PolarHBondContact N-O 3.14Å; Y89-R92 PolarHBondContact O-N 2.75Å
90E79.5Confident70.4Confident152 Ų15260.4 Ų60.471%0.7134%0.337SS*.THydrogen-bonded Turntrans4937.6-178.7-67180-175.900113.7R92E90-R92 VanDerWaalsContact C-N 3.34Å; E90-R92 PolarHBondContact O-N 2.92Å
91G82.2Confident70.9Confident64 Ų6458.9 Ų58.966%0.6634%0.335SS*.THydrogen-bonded Turntrans80.15.2178.300000115.6Y89Y89-G91 PolarHBondContact O-N 3.22Å
92R74.5Confident70.5Confident125 Ų12565 Ų6547%0.47235%0.354SS..BIsolated β-bridgetrans-127.9145.4175.6-59.4-173.2-173.6-175.94.8111.7W9 V14 V88 Y89 E90W9-R92 PolarHBondContact O-NH1 3.36Å; V14-R92 HydrophobicContact CG2-CB 4.32Å; V88-R92 WeakPolarHBondContact CA-O 3.45Å; Y89-R92 PolarHBondContact N-O 3.14Å; Y89-R92 PolarHBondContact O-N 2.75Å; E90-R92 VanDerWaalsContact C-N 3.34Å; E90-R92 PolarHBondContact O-N 2.92Å
93S75.4Confident70.2Confident2 Ų266.4 Ų66.41%0.01436%0.363CS..  trans-115.8162.3166.969.90000110.9A87 K95 D96 A97A87-S93 WeakPolarHBondContact O-CA 3.33Å; A87-S93 WeakPolarHBondContact O-CB 3.26Å; S93-K95 PolarHBondContact O-N 2.99Å; S93-D96 WeakPolarHBondContact CB-OD2 3.35Å; S93-D96 PolarHBondContact N-OD2 3.47Å; S93-D96 VanDerWaalsContact N-OD2 3.09Å; S93-D96 PolarHBondContact O-N 3.17Å; S93-D96 VanDerWaalsContact O-N 3.09Å; S93-D96 PolarHBondContact OG-N 2.79Å; S93-D96 PolarHBondContact OG-OD1 3.14Å; S93-D96 PolarHBondContact OG-OD2 3.31Å; S93-A97 PolarHBondContact O-N 2.93Å; S93-A97 VanDerWaalsContact O-N 3.16Å
94L73.3Confident69.4Low11 Ų1166 Ų666%0.05836%0.362CS..Hα-helixtrans-56.5-39.4172.9176.562.5000110.6S85 D96 A97 L98 Y142S85-L94 PolarHBondContact O-N 2.87Å; L94-D96 VanDerWaalsContact C-N 3.32Å; L94-D96 PolarHBondContact O-N 2.98Å; L94-A97 PolarHBondContact O-N 2.95Å; L94-A97 VanDerWaalsContact O-N 3.17Å; L94-L98 HydrophobicContact CD1-CG 4.34Å; L94-L98 HydrophobicContact CG-CD1 4.18Å; L94-L98 HydrophobicContact CG-CG 4.46Å; L94-L98 VanDerWaalsContact O-CG 3.32Å; L94-L98 WeakPolarHBondContact O-CG 3.48Å; L94-L98 PolarHBondContact O-N 3.4Å; L94-L98 VanDerWaalsContact O-N 3.11Å; L94-Y142 WeakPolarHBondContact CD2-O 3.12Å
95K73.6Confident68.9Low76 Ų7669.1 Ų69.133%0.3338%0.375SS..Hα-helixtrans-56.5-43.6175.3-176.8-167.7176.3-164.30112.5S85 S93 A97 L98 H168S85-K95 VanDerWaalsContact O-CB 3.28Å; S85-K95 WeakPolarHBondContact O-CB 3.42Å; S85-K95 PolarHBondContact O-N 2.88Å; S93-K95 PolarHBondContact O-N 2.99Å; K95-A97 VanDerWaalsContact C-N 3.26Å; K95-A97 PolarHBondContact O-N 3.12Å; K95-L98 PolarHBondContact O-N 3.45Å; K95-H168 WeakPolarHBondContact CE-CD2 3.08Å; K95-H168 WeakPolarHBondContact CE-NE2 3.28Å; K95-H168 HydrophobicContact CG-CB 4.12Å; K95-H168 WeakPolarHBondContact CG-CD2 3.32Å
96D75.7Confident68.2Low106 Ų10673 Ų7357%0.56739%0.394SS*.Hα-helixtrans-72.4-24.3-179.4-54.9-39.4000112.3S93 L94S93-D96 WeakPolarHBondContact CB-OD2 3.35Å; S93-D96 PolarHBondContact N-OD2 3.47Å; S93-D96 VanDerWaalsContact N-OD2 3.09Å; S93-D96 PolarHBondContact O-N 3.17Å; S93-D96 VanDerWaalsContact O-N 3.09Å; S93-D96 PolarHBondContact OG-N 2.79Å; S93-D96 PolarHBondContact OG-OD1 3.14Å; S93-D96 PolarHBondContact OG-OD2 3.31Å; L94-D96 VanDerWaalsContact C-N 3.32Å; L94-D96 PolarHBondContact O-N 2.98Å
97A74.6Confident67.3Low26 Ų2676.4 Ų76.422%0.21540%0.404CS..Hα-helixtrans-87.6-15.3-179.400000113.1I10 S93 L94 K95I10-A97 HydrophobicContact CD1-CB 4.29Å; I10-A97 HydrophobicContact CG1-CB 3.86Å; I10-A97 HydrophobicContact CG2-CB 4.32Å; S93-A97 PolarHBondContact O-N 2.93Å; S93-A97 VanDerWaalsContact O-N 3.16Å; L94-A97 PolarHBondContact O-N 2.95Å; L94-A97 VanDerWaalsContact O-N 3.17Å; K95-A97 VanDerWaalsContact C-N 3.26Å; K95-A97 PolarHBondContact O-N 3.12Å
98L71.3Confident66.7Low17 Ų1781.2 Ų81.29%0.08943%0.425CS..SBendtrans-84.4129.7176-71.3169.9000110.5L94 K95 T100 L169L94-L98 HydrophobicContact CD1-CG 4.34Å; L94-L98 HydrophobicContact CG-CD1 4.18Å; L94-L98 HydrophobicContact CG-CG 4.46Å; L94-L98 VanDerWaalsContact O-CG 3.32Å; L94-L98 WeakPolarHBondContact O-CG 3.48Å; L94-L98 PolarHBondContact O-N 3.4Å; L94-L98 VanDerWaalsContact O-N 3.11Å; K95-L98 PolarHBondContact O-N 3.45Å; L98-T100 PolarHBondContact O-N 3.45Å; L98-T100 VanDerWaalsContact O-N 3.17Å; L98-L169 HydrophobicContact CD1-CD2 3.74Å; L98-L169 HydrophobicContact CD1-CG 3.67Å; L98-L169 HydrophobicContact CD2-CD2 4.4Å
99P65.1Low66Low77 Ų7780.9 Ų80.950%0.543%0.426SS..  trans-65.1122.517619.3-21.9000109.7G101P99-G101 PolarHBondContact O-N 3.45Å; P99-G101 VanDerWaalsContact O-N 3.07Å
100T59.4Low65.5Low91 Ų9183.3 Ų83.356%0.55844%0.443SS*.  trans-74.799.8173.2-57.20000108L98 H168L98-T100 PolarHBondContact O-N 3.45Å; L98-T100 VanDerWaalsContact O-N 3.17Å; T100-H168 PolarHBondContact OG1-ND1 3.11Å
101G55.7Low64.2Low21 Ų2178 Ų7822%0.21642%0.421CS..  trans-77.4178.2170.700000112.4P99 N175P99-G101 PolarHBondContact O-N 3.45Å; P99-G101 VanDerWaalsContact O-N 3.07Å; G101-N175 WeakPolarHBondContact CA-ND2 3.42Å
102R53.2Low63Low202 Ų20280.2 Ų80.276%0.76242%0.417SS*.  trans-64.9151.6-179.6-64.9-177.9177.4-159.3-1.1111.1L104 N175R102-L104 HydrophobicContact CB-CD2 3.96Å; R102-L104 PolarHBondContact O-N 2.81Å; R102-N175 VanDerWaalsContact N-CG 3.32Å; R102-N175 PolarHBondContact N-ND2 2.66Å; R102-N175 VanDerWaalsContact N-ND2 3.13Å; R102-N175 PolarHBondContact N-OD1 2.79Å; R102-N175 PolarHBondContact O-ND2 3Å; R102-N175 PolarHBondContact O-OD1 2.78Å
103T58.9Low62.4Low75 Ų7578.3 Ų78.346%0.4642%0.42SS..  trans-75.6117.4169.2-55.90000107.9Q105 K171T103-Q105 HydrophobicContact CG2-CB 4.36Å; T103-K171 PolarHBondContact OG1-NZ 2.86Å
104L53.3Low61.5Low29 Ų2985 Ų8515%0.15245%0.449CS..  trans-105.3-5.9-177.8-54.6176.8000112.9R102 N106 L174 E178 L227R102-L104 HydrophobicContact CB-CD2 3.96Å; R102-L104 PolarHBondContact O-N 2.81Å; L104-N106 PolarHBondContact O-N 3.39Å; L104-L174 HydrophobicContact CB-CB 4.32Å; L104-L174 VanDerWaalsContact CD1-C 3.42Å; L104-L174 HydrophobicContact CD1-CB 3.84Å; L104-L174 VanDerWaalsContact CD1-O 3.24Å; L104-L174 WeakPolarHBondContact CD1-O 3.4Å; L104-L174 HydrophobicContact CG-CB 4.38Å; L104-E178 HydrophobicContact CD1-CB 3.98Å; L104-E178 HydrophobicContact CD1-CG 3.53Å; L104-E178 WeakPolarHBondContact CD1-OE1 3.39Å; L104-E178 VanDerWaalsContact CD1-OE2 3.28Å; L104-E178 WeakPolarHBondContact CD1-OE2 2.88Å; L104-E178 WeakPolarHBondContact CD2-OE1 3.35Å; L104-E178 WeakPolarHBondContact CD2-OE2 3.29Å; L104-L227 HydrophobicContact CB-CD2 4.4Å
105Q58.4Low60.5Low116 Ų11689.4 Ų89.454%0.54247%0.468SS..SBendtrans-67.9130.3172.5-66.8178-19.600108.8T103 E107 L174T103-Q105 HydrophobicContact CG2-CB 4.36Å; Q105-E107 PolarHBondContact O-N 3.07Å; Q105-L174 HydrophobicContact CG-CD1 3.99Å
106N55.9Low59.6Low95 Ų9588.8 Ų88.851%0.50848%0.483SS..PPolyproline II helixtrans-59.4132.6170.3-69.9-51.4000109.3L104 L108 V111L104-N106 PolarHBondContact O-N 3.39Å; N106-L108 PolarHBondContact O-N 3.14Å; N106-V111 HydrophobicContact CB-CG2 3.42Å; N106-V111 VanDerWaalsContact CB-CG2 3.42Å
107E56.6Low58.6Low126 Ų12691 Ų9159%0.58950%0.495SS*.PPolyproline II helixtrans-56.6129.5170.9-67.1-65.3161.100109.2Q105 P109 L110 V111Q105-E107 PolarHBondContact O-N 3.07Å; E107-P109 VanDerWaalsContact C-N 3.28Å; E107-P109 VanDerWaalsContact O-N 3.14Å; E107-L110 HydrophobicContact CB-CD1 4.12Å; E107-L110 HydrophobicContact CB-CG 4.24Å; E107-L110 WeakPolarHBondContact O-CB 3.28Å; E107-L110 PolarHBondContact O-N 3.48Å; E107-V111 PolarHBondContact O-N 3.46Å
108L61.5Low57.7Low128 Ų12891.9 Ų91.967%0.6751%0.507SS*.Hα-helixtrans-49.9-41.3-175.7-71.7172.9000113.6N106 L110 V111 L112N106-L108 PolarHBondContact O-N 3.14Å; L108-L110 PolarHBondContact O-N 2.62Å; L108-L110 VanDerWaalsContact O-N 3.14Å; L108-V111 PolarHBondContact O-N 3.09Å; L108-L112 WeakPolarHBondContact O-CG 3.3Å; L108-L112 PolarHBondContact O-N 3.17Å
109P58.6Low57Low93 Ų9397.2 Ų97.260%0.60455%0.545SS*.Hα-helixtrans-59.5-22.6176.2-25.536.1000115E107 P113E107-P109 VanDerWaalsContact C-N 3.28Å; E107-P109 VanDerWaalsContact O-N 3.14Å; P109-P113 WeakPolarHBondContact O-CD 3.24Å; P109-P113 WeakPolarHBondContact O-CG 3.32Å
110L58.5Low56.3Low118 Ų11899.1 Ų99.162%0.61855%0.55SS*.Hα-helixtrans-84.5-21.8175.9-58.9177.2000112.4E107 L108E107-L110 HydrophobicContact CB-CD1 4.12Å; E107-L110 HydrophobicContact CB-CG 4.24Å; E107-L110 WeakPolarHBondContact O-CB 3.28Å; E107-L110 PolarHBondContact O-N 3.48Å; L108-L110 PolarHBondContact O-N 2.62Å; L108-L110 VanDerWaalsContact O-N 3.14Å
111V53.4Low55.7Low41 Ų4197.7 Ų97.725%0.24855%0.548CS..Hα-helixtrans-89.3-41.8179.7-172.20000111N106 E107 L108 K114 F115N106-V111 HydrophobicContact CB-CG2 3.42Å; N106-V111 VanDerWaalsContact CB-CG2 3.42Å; E107-V111 PolarHBondContact O-N 3.46Å; L108-V111 PolarHBondContact O-N 3.09Å; V111-K114 WeakPolarHBondContact O-CB 3.14Å; V111-K114 PolarHBondContact O-N 3.04Å; V111-F115 HydrophobicContact CG1-CD2 4.48Å; V111-F115 HydrophobicContact CG1-CE2 3.85Å
112L56.3Low55.4Low110 Ų11099.7 Ų99.758%0.57655%0.55SS**Hα-helixtrans-54.3-44.8-174.8-71.8172000114.4L108 K114 F115L108-L112 WeakPolarHBondContact O-CG 3.3Å; L108-L112 PolarHBondContact O-N 3.17Å; L112-K114 PolarHBondContact O-N 3.28Å; L112-K114 VanDerWaalsContact O-N 3.17Å; L112-F115 WeakPolarHBondContact O-CB 3.21Å; L112-F115 PolarHBondContact O-N 3.42Å; L112-F115 VanDerWaalsContact O-N 3.09Å
113P61.1Low55.3Low84 Ų8494.8 Ų94.855%0.54555%0.553SS.*Hα-helixtrans-61.3-26.6179.2-2535.4000113.7P109 F115 G116P109-P113 WeakPolarHBondContact O-CD 3.24Å; P109-P113 WeakPolarHBondContact O-CG 3.32Å; P113-F115 VanDerWaalsContact C-N 3.27Å; P113-F115 PolarHBondContact O-N 3.28Å; P113-G116 PolarHBondContact O-N 3.19Å
114K56.7Low54.9Low143 Ų14394.6 Ų94.662%0.62256%0.559SS**Hα-helixtrans-66.8-30.6178.1-60.1-177.9179.4179.80112V111 L112 G116 N117V111-K114 WeakPolarHBondContact O-CB 3.14Å; V111-K114 PolarHBondContact O-N 3.04Å; L112-K114 PolarHBondContact O-N 3.28Å; L112-K114 VanDerWaalsContact O-N 3.17Å; K114-G116 PolarHBondContact O-N 3.07Å; K114-N117 PolarHBondContact O-N 3.23Å
115F53.2Low54.8Low104 Ų104102.5 Ų102.546%0.45660%0.595SS.*Hα-helixtrans-68.9-18.9172.7-70.7-76.6000112.9V111 L112 P113 A121V111-F115 HydrophobicContact CG1-CD2 4.48Å; V111-F115 HydrophobicContact CG1-CE2 3.85Å; L112-F115 WeakPolarHBondContact O-CB 3.21Å; L112-F115 PolarHBondContact O-N 3.42Å; L112-F115 VanDerWaalsContact O-N 3.09Å; P113-F115 VanDerWaalsContact C-N 3.27Å; P113-F115 PolarHBondContact O-N 3.28Å; F115-A121 HydrophobicContact CB-CB 4.45Å; F115-A121 HydrophobicContact CD1-CB 3.67Å; F115-A121 HydrophobicContact CE1-CB 4.44Å
116G53.8Low54.8Low62 Ų62100.6 Ų100.664%0.63959%0.588SS**THydrogen-bonded Turntrans-86.7-11.1176.400000114.9P113 K114 G118P113-G116 PolarHBondContact O-N 3.19Å; K114-G116 PolarHBondContact O-N 3.07Å; G116-G118 VanDerWaalsContact C-N 3.28Å; G116-G118 PolarHBondContact O-N 3.4Å
117N55.1Low54.8Low153 Ų153101.4 Ų101.482%0.81859%0.589SS**SBendtrans-81.3-3.7-178.5-80.4-7.2000113.9K114K114-N117 PolarHBondContact O-N 3.23Å
118G55.6Low55.1Low45 Ų4596.1 Ų96.146%0.46457%0.566SS.*SBendtrans-129.1158.2175.900000111.5G116 I120G116-G118 VanDerWaalsContact C-N 3.28Å; G116-G118 PolarHBondContact O-N 3.4Å; G118-I120 PolarHBondContact O-N 2.96Å
119S55.8Low55Low128 Ų12892 Ų9290%0.89554%0.544SS*.SBendtrans-73-13.1173.951.90000113.4
120I52.3Low55.2Low117 Ų11789.4 Ų89.460%0.652%0.524SS*.  trans-138131.8-175.3-55.8176.2000108.9G118 F122G118-I120 PolarHBondContact O-N 2.96Å; I120-F122 HydrophobicContact CG2-CD2 4.32Å; I120-F122 HydrophobicContact CG2-CE2 3.7Å; I120-F122 HydrophobicContact CG2-CZ 3.86Å
121A44.9Very low55.5Low62 Ų6284.1 Ų84.151%0.51250%0.496SS..  trans-119.7139.1174.800000109.7F115F115-A121 HydrophobicContact CB-CB 4.45Å; F115-A121 HydrophobicContact CD1-CB 3.67Å; F115-A121 HydrophobicContact CE1-CB 4.44Å
122F50.6Low56Low62 Ų6289.5 Ų89.527%0.27251%0.512SS..  trans-110.2139173.8-65.1-89.6000109.8I120 T235 E238 I239I120-F122 HydrophobicContact CG2-CD2 4.32Å; I120-F122 HydrophobicContact CG2-CE2 3.7Å; I120-F122 HydrophobicContact CG2-CZ 3.86Å; F122-T235 HydrophobicContact CB-CG2 4.29Å; F122-T235 HydrophobicContact CD2-CG2 3.46Å; F122-T235 VanDerWaalsContact CD2-CG2 3.46Å; F122-T235 HydrophobicContact CE2-CG2 4.08Å; F122-T235 HydrophobicContact CG-CG2 4.11Å; F122-E238 WeakPolarHBondContact CB-OE2 3.45Å; F122-E238 HydrophobicContact CD1-CB 4.44Å; F122-I239 HydrophobicContact CD2-CG1 4.38Å; F122-I239 HydrophobicContact CE1-CG1 4.44Å; F122-I239 HydrophobicContact CE2-CD1 3.88Å; F122-I239 HydrophobicContact CE2-CG1 3.47Å; F122-I239 VanDerWaalsContact CE2-CG1 3.47Å; F122-I239 HydrophobicContact CZ-CD1 4.4Å; F122-I239 HydrophobicContact CZ-CG1 3.52Å
123A50.8Low56.3Low100 Ų10086.3 Ų86.383%0.82650%0.495SS*.  trans-132.3129.717500000108.4
124A50.5Low56.7Low70 Ų7084.5 Ų84.558%0.57949%0.492SS*.  trans-134.6143.6176.900000109.4E238A124-E238 WeakPolarHBondContact CB-OE1 3.37Å
125E51.1Low57.2Low195 Ų19578.8 Ų78.891%0.91147%0.468SS*.  trans-103.8132.7174.5-66.6-174.6174.400109.9E127E125-E127 PolarHBondContact O-N 3.3Å
126I58.4Low58.2Low77 Ų7778 Ų7840%0.39547%0.465SS..  trans-86.8102.1172.4-56.5176.5000108.3A128 M129I126-A128 PolarHBondContact O-N 3.06Å; I126-A128 VanDerWaalsContact O-N 3.15Å; I126-M129 HydrophobicContact CB-CB 4.03Å; I126-M129 HydrophobicContact CB-CG 4.37Å; I126-M129 HydrophobicContact CD1-CG 4.47Å; I126-M129 HydrophobicContact CG2-CB 3.7Å; I126-M129 HydrophobicContact CG2-CG 4.02Å; I126-M129 PolarHBondContact O-N 3.37Å
127E55.5Low59.2Low111 Ų11181.6 Ų81.652%0.51947%0.469SS..THydrogen-bonded Turntrans-59.7120.8176.5-167.9-170.4175.500110.6R26 E125 M129R26-E127 VanDerWaalsContact CD-OE1 3.3Å; R26-E127 WeakPolarHBondContact CD-OE1 3.4Å; E125-E127 PolarHBondContact O-N 3.3Å; E127-M129 VanDerWaalsContact C-N 3.3Å; E127-M129 PolarHBondContact O-N 3.42Å
128A63.5Low60.1Low15 Ų1579.9 Ų79.912%0.12446%0.456CS..THydrogen-bonded Turntrans53.444.9177.600000113.8R26 I126 F130 S131 R132R26-A128 WeakPolarHBondContact O-CB 3.38Å; I126-A128 PolarHBondContact O-N 3.06Å; I126-A128 VanDerWaalsContact O-N 3.15Å; A128-F130 VanDerWaalsContact C-N 3.33Å; A128-F130 PolarHBondContact O-N 3.21Å; A128-S131 WeakPolarHBondContact O-CA 3.49Å; A128-S131 VanDerWaalsContact O-CB 3.28Å; A128-S131 WeakPolarHBondContact O-CB 3.29Å; A128-S131 PolarHBondContact O-N 2.87Å; A128-R132 PolarHBondContact O-N 2.86Å
129M58.7Low60.8Low42 Ų4280 Ų8021%0.20745%0.446CS..Hα-helixtrans-44.4-51.5179.8-176-165.8170.500113.6I126 E127 S131 R132 P226I126-M129 HydrophobicContact CB-CB 4.03Å; I126-M129 HydrophobicContact CB-CG 4.37Å; I126-M129 HydrophobicContact CD1-CG 4.47Å; I126-M129 HydrophobicContact CG2-CB 3.7Å; I126-M129 HydrophobicContact CG2-CG 4.02Å; I126-M129 PolarHBondContact O-N 3.37Å; E127-M129 VanDerWaalsContact C-N 3.3Å; E127-M129 PolarHBondContact O-N 3.42Å; M129-S131 VanDerWaalsContact C-N 3.29Å; M129-S131 PolarHBondContact O-N 2.94Å; M129-R132 VanDerWaalsContact O-CB 3.24Å; M129-R132 WeakPolarHBondContact O-CB 3.18Å; M129-R132 PolarHBondContact O-N 3.16Å; M129-P226 VanDerWaalsContact CE-CA 3.4Å; M129-P226 HydrophobicContact CE-CB 3.42Å; M129-P226 VanDerWaalsContact CE-CB 3.42Å; M129-P226 HydrophobicContact CE-CG 4.41Å
130F62.6Low61.6Low39 Ų3974 Ų7417%0.17140%0.404CS..Hα-helixtrans-61.2-39.6-179.3-62.6-63.7000112.5A128 R132 I133 V163 F165 T170A128-F130 VanDerWaalsContact C-N 3.33Å; A128-F130 PolarHBondContact O-N 3.21Å; F130-R132 PolarHBondContact O-N 3.36Å; F130-R132 VanDerWaalsContact O-N 3.08Å; F130-I133 WeakPolarHBondContact O-CB 3.45Å; F130-I133 PolarHBondContact O-N 3.41Å; F130-V163 CarbonylContact C-O 3.44Å; F130-V163 HydrophobicContact CB-CB 4.38Å; F130-V163 HydrophobicContact CB-CG1 4.04Å; F130-V163 HydrophobicContact CD1-CG1 4.21Å; F130-V163 HydrophobicContact CG-CG1 4.46Å; F130-F165 AromaticContact CD2-CD1 3.53Å; F130-F165 HydrophobicContact CD2-CD1 3.53Å; F130-F165 AromaticContact CD2-CE1 3.57Å; F130-F165 HydrophobicContact CD2-CE1 3.57Å; F130-F165 HydrophobicContact CD2-CG 4.33Å; F130-F165 HydrophobicContact CD2-CZ 4.37Å; F130-F165 HydrophobicContact CE2-CD1 4.07Å; F130-F165 HydrophobicContact CE2-CE1 4.22Å; F130-T170 HydrophobicContact CE1-CG2 3.62Å; F130-T170 VanDerWaalsContact CE1-OG1 3.29Å; F130-T170 WeakPolarHBondContact CE1-OG1 3.46Å; F130-T170 HydrophobicContact CZ-CG2 3.51Å; F130-T170 WeakPolarHBondContact CZ-OG1 3.33Å
131S65Low62.7Low6 Ų670.9 Ų70.94%0.04239%0.385CS..Hα-helixtrans-64.1-14.1175.1-58.20000113.1G27 A128 M129 I133 R162G27-S131 WeakPolarHBondContact O-CB 3.39Å; G27-S131 PolarHBondContact O-OG 3.2Å; A128-S131 WeakPolarHBondContact O-CA 3.49Å; A128-S131 VanDerWaalsContact O-CB 3.28Å; A128-S131 WeakPolarHBondContact O-CB 3.29Å; A128-S131 PolarHBondContact O-N 2.87Å; M129-S131 VanDerWaalsContact C-N 3.29Å; M129-S131 PolarHBondContact O-N 2.94Å; S131-I133 VanDerWaalsContact C-N 3.34Å; S131-R162 WeakPolarHBondContact O-CD 3.42Å; S131-R162 WeakPolarHBondContact O-CG 3.24Å; S131-R162 PolarHBondContact O-NH1 2.93Å
132R64Low64Low155 Ų15568.6 Ų68.659%0.58536%0.363SS*.Hα-helixtrans-77.6-23.2172.3-55.3-57.5178.3168.4-1.3112.3A128 M129 F130 R162A128-R132 PolarHBondContact O-N 2.86Å; M129-R132 VanDerWaalsContact O-CB 3.24Å; M129-R132 WeakPolarHBondContact O-CB 3.18Å; M129-R132 PolarHBondContact O-N 3.16Å; F130-R132 PolarHBondContact O-N 3.36Å; F130-R132 VanDerWaalsContact O-N 3.08Å; R132-R162 PolarHBondContact O-NH1 3.48Å
133I63.9Low65.1Low43 Ų4366.1 Ų66.122%0.22135%0.352CS..SBendtrans-83.8117.2-177.8-50.4179.5000109.2F130 S131 R162 V163 I173F130-I133 WeakPolarHBondContact O-CB 3.45Å; F130-I133 PolarHBondContact O-N 3.41Å; S131-I133 VanDerWaalsContact C-N 3.34Å; I133-R162 WeakPolarHBondContact O-CA 2.97Å; I133-R162 WeakPolarHBondContact O-CB 3.28Å; I133-V163 HydrophobicContact CB-CB 4.33Å; I133-V163 HydrophobicContact CB-CG2 3.92Å; I133-V163 HydrophobicContact CG2-CG2 3.77Å; I133-V163 PolarHBondContact O-N 3.27Å; I133-I173 HydrophobicContact CD1-CD1 4.42Å; I133-I173 HydrophobicContact CD1-CG2 3.89Å
134G69.3Low66.4Low45 Ų4564 Ų6446%0.46432%0.323SS..BIsolated β-bridgetrans-73.4142172.800000110.9
135L67.3Low67.6Low23 Ų2361 Ų6112%0.1230%0.297CS..PPolyproline II helixtrans-82.2144.9167.6-69.9166.8000109.3A140 H143 M160 N161 R162 V163L135-A140 HydrophobicContact CB-CB 4.18Å; L135-H143 HydrophobicContact CD1-CB 3.76Å; L135-H143 VanDerWaalsContact CD1-CG 3.41Å; L135-M160 HydrophobicContact CD1-CB 4.32Å; L135-N161 PolarHBondContact N-O 3.31Å; L135-R162 WeakPolarHBondContact CD1-O 3.02Å; L135-V163 HydrophobicContact CD2-CG2 3.73Å; L135-V163 HydrophobicContact CG-CG2 4.24Å
136H73.6Confident68.8Low87 Ų8754.2 Ų54.240%0.40327%0.267SS..PPolyproline II helixtrans-59.9147.7165.6-167.5-111.3000109.1E138 D139 A140H136-E138 IonicContact CE1-OE1 3.96Å; H136-E138 IonicContact CE1-OE2 2.89Å; H136-E138 WeakPolarHBondContact ND1-CB 3.33Å; H136-E138 PolarHBondContact ND1-N 2.87Å; H136-E138 IonicContact ND1-OE2 2.8Å; H136-E138 PolarHBondContact O-N 2.79Å; H136-E138 VanDerWaalsContact O-N 3.17Å; H136-D139 HydrophobicContact CB-CB 4.38Å; H136-D139 PolarHBondContact O-N 3.04Å; H136-D139 VanDerWaalsContact O-N 3.09Å; H136-A140 WeakPolarHBondContact O-CB 3.43Å; H136-A140 PolarHBondContact O-N 3.36Å
137L74.6Confident69.6Low138 Ų13854.6 Ų54.672%0.72326%0.263SS*.THydrogen-bonded Turntrans-57.3-34.6-177.6-77.9166.6000111.7
138E73.7Confident70.6Confident118 Ų11855.5 Ų55.555%0.55127%0.265SS*.THydrogen-bonded Turntrans-69.1-48.6176.7-64172.9177.400110.5H136 A140 R141H136-E138 IonicContact CE1-OE1 3.96Å; H136-E138 IonicContact CE1-OE2 2.89Å; H136-E138 WeakPolarHBondContact ND1-CB 3.33Å; H136-E138 PolarHBondContact ND1-N 2.87Å; H136-E138 IonicContact ND1-OE2 2.8Å; H136-E138 PolarHBondContact O-N 2.79Å; H136-E138 VanDerWaalsContact O-N 3.17Å; E138-A140 VanDerWaalsContact C-N 3.28Å; E138-A140 PolarHBondContact O-N 2.95Å; E138-R141 WeakPolarHBondContact O-CD 3.4Å; E138-R141 WeakPolarHBondContact O-CG 3.2Å; E138-R141 PolarHBondContact O-N 3.47Å; E138-R141 PolarHBondContact O-NH1 2.8Å
139D70.6Confident71Confident48 Ų4855.8 Ų55.826%0.25727%0.265SS..G310 helixtrans-71.4-23.1-177.3-59.8-31.1000113.9H136 R141 Y142 H143H136-D139 HydrophobicContact CB-CB 4.38Å; H136-D139 PolarHBondContact O-N 3.04Å; H136-D139 VanDerWaalsContact O-N 3.09Å; D139-R141 PolarHBondContact O-N 3.17Å; D139-R141 VanDerWaalsContact O-N 3.15Å; D139-Y142 WeakPolarHBondContact O-CB 3.17Å; D139-Y142 PolarHBondContact O-N 3.38Å; D139-H143 PolarHBondContact O-ND1 2.83Å; D139-H143 VanDerWaalsContact O-ND1 3.14Å
140A73.4Confident71.6Confident1 Ų160 Ų601%0.00830%0.295CS..G310 helixtrans-57.1-30.5178.800000111.9L135 H136 E138 Y142 H143 Q159 M160L135-A140 HydrophobicContact CB-CB 4.18Å; H136-A140 WeakPolarHBondContact O-CB 3.43Å; H136-A140 PolarHBondContact O-N 3.36Å; E138-A140 VanDerWaalsContact C-N 3.28Å; E138-A140 PolarHBondContact O-N 2.95Å; A140-Y142 PolarHBondContact O-N 3.46Å; A140-H143 PolarHBondContact O-N 3.2Å; A140-Q159 VanDerWaalsContact C-CD 3.48Å; A140-Q159 HydrophobicContact CB-CG 4.22Å; A140-Q159 WeakPolarHBondContact O-CG 3.24Å; A140-M160 WeakPolarHBondContact CB-O 3.29Å
141R73.8Confident72.1Confident51 Ų5164.7 Ų64.719%0.19232%0.318CS..G310 helixtrans-58.1-29.3176.880.4-168178.1-101.713.5113.2D7 S15 E138 D139 H143 R144D7-R141 IonicContact OD1-NH2 3.72Å; S15-R141 PolarHBondContact OG-O 2.67Å; S15-R141 VanDerWaalsContact OG-O 3.14Å; E138-R141 WeakPolarHBondContact O-CD 3.4Å; E138-R141 WeakPolarHBondContact O-CG 3.2Å; E138-R141 PolarHBondContact O-N 3.47Å; E138-R141 PolarHBondContact O-NH1 2.8Å; D139-R141 PolarHBondContact O-N 3.17Å; D139-R141 VanDerWaalsContact O-N 3.15Å; R141-H143 VanDerWaalsContact C-N 3.3Å; R141-R144 VanDerWaalsContact O-CD 3.25Å; R141-R144 WeakPolarHBondContact O-CD 3.12Å; R141-R144 VanDerWaalsContact O-CG 3.23Å; R141-R144 WeakPolarHBondContact O-CG 2.93Å; R141-R144 PolarHBondContact O-NE 3.15Å
142Y72.7Confident72.2Confident14 Ų1467.3 Ų67.36%0.05533%0.331CS..G310 helixtrans-81.4-10.7179.9-57.2-52000113.9I10 S15 L94 D139 A140I10-Y142 HydrophobicContact CB-CD1 3.83Å; I10-Y142 HydrophobicContact CB-CE1 3.32Å; I10-Y142 HydrophobicContact CD1-CD1 4.4Å; I10-Y142 HydrophobicContact CD1-CD2 4.23Å; I10-Y142 HydrophobicContact CD1-CE1 4.3Å; I10-Y142 HydrophobicContact CD1-CE2 4.1Å; I10-Y142 HydrophobicContact CD1-CG 4.33Å; I10-Y142 HydrophobicContact CG1-CE1 4.34Å; I10-Y142 HydrophobicContact CG2-CD1 3.23Å; I10-Y142 HydrophobicContact CG2-CE1 3.27Å; I10-Y142 HydrophobicContact CG2-CG 4.03Å; I10-Y142 WeakPolarHBondContact O-CE1 3.39Å; I10-Y142 PolarHBondContact O-OH 3.18Å; S15-Y142 WeakPolarHBondContact CB-O 3.19Å; L94-Y142 WeakPolarHBondContact CD2-O 3.12Å; D139-Y142 WeakPolarHBondContact O-CB 3.17Å; D139-Y142 PolarHBondContact O-N 3.38Å; A140-Y142 PolarHBondContact O-N 3.46Å
143H74.2Confident72.7Confident10 Ų1068.9 Ų68.95%0.04635%0.345CS..SBendtrans-106.641.5179.2-60.467.4000110.6L135 D139 A140 R141 M160 L169L135-H143 HydrophobicContact CD1-CB 3.76Å; L135-H143 VanDerWaalsContact CD1-CG 3.41Å; D139-H143 PolarHBondContact O-ND1 2.83Å; D139-H143 VanDerWaalsContact O-ND1 3.14Å; A140-H143 PolarHBondContact O-N 3.2Å; R141-H143 VanDerWaalsContact C-N 3.3Å; H143-M160 HydrophobicContact CB-CB 3.81Å; H143-M160 HydrophobicContact CB-CG 4.45Å; H143-M160 WeakPolarHBondContact O-CB 3.45Å; H143-M160 PolarHBondContact O-N 3.32Å; H143-L169 WeakPolarHBondContact NE2-CD2 2.88Å
144R77.1Confident73.1Confident56 Ų5671 Ų7121%0.21135%0.35CS..EExtended strand (participates in β ladder)trans-81.2159.4173.1-74171.4-173.9174.19.1110.5E12 S15 V16 R141 V157 F158 Q159E12-R144 IonicContact OE2-CZ 3.51Å; E12-R144 IonicContact OE2-NH1 3.57Å; E12-R144 PolarHBondContact OE2-NH1 2.81Å; E12-R144 IonicContact OE2-NH2 3.66Å; S15-R144 CarbonylContact O-C 3.58Å; V16-R144 HydrophobicContact CG2-CB 4.45Å; R141-R144 VanDerWaalsContact O-CD 3.25Å; R141-R144 WeakPolarHBondContact O-CD 3.12Å; R141-R144 VanDerWaalsContact O-CG 3.23Å; R141-R144 WeakPolarHBondContact O-CG 2.93Å; R141-R144 PolarHBondContact O-NE 3.15Å; R144-V157 HydrophobicContact CB-CG1 3.94Å; R144-V157 HydrophobicContact CG-CG1 4.09Å; R144-F158 CarbonylContact C-O 3.52Å; R144-F158 WeakPolarHBondContact CA-O 3.29Å; R144-Q159 HydrophobicContact CG-CB 4.14Å; R144-Q159 HydrophobicContact CG-CG 4.07Å
145F75.8Confident73.4Confident6 Ų672.1 Ų72.13%0.02635%0.348CS..EExtended strand (participates in β ladder)trans-152.5150.8171.963.5-86.1000111.1V16 L20 L30 F83 W147 V157 F158 M160V16-F145 CarbonylContact O-C 3.34Å; L20-F145 HydrophobicContact CD1-CD2 4.28Å; L30-F145 HydrophobicContact CD1-CZ 4.1Å; L30-F145 HydrophobicContact CD2-CE1 3.54Å; L30-F145 HydrophobicContact CD2-CZ 3.49Å; L30-F145 VanDerWaalsContact CD2-CZ 3.49Å; L30-F145 HydrophobicContact CG-CZ 4.46Å; F83-F145 HydrophobicContact CD1-CB 4.04Å; F83-F145 HydrophobicContact CD1-CD1 4.17Å; F83-F145 HydrophobicContact CD1-CG 4.08Å; F83-F145 HydrophobicContact CE1-CB 4.01Å; F83-F145 AromaticContact CE1-CD1 3.56Å; F83-F145 HydrophobicContact CE1-CD1 3.56Å; F83-F145 AromaticContact CE1-CD2 3.86Å; F83-F145 HydrophobicContact CE1-CD2 3.86Å; F83-F145 AromaticContact CE1-CE1 3.87Å; F83-F145 HydrophobicContact CE1-CE1 3.87Å; F83-F145 HydrophobicContact CE1-CE2 4.14Å; F83-F145 AromaticContact CE1-CG 3.55Å; F83-F145 HydrophobicContact CE1-CG 3.55Å; F83-F145 HydrophobicContact CE1-CZ 4.13Å; F83-F145 HydrophobicContact CZ-CD1 4.41Å; F83-F145 HydrophobicContact CZ-CE1 4.3Å; F83-F145 HydrophobicContact CZ-CZ 4.4Å; F145-W147 HydrophobicContact CE2-CB 4.4Å; F145-V157 WeakPolarHBondContact O-CA 3.35Å; F145-F158 HydrophobicContact CD1-CB 3.9Å; F145-F158 HydrophobicContact CD2-CB 4.11Å; F145-F158 HydrophobicContact CE1-CB 3.36Å; F145-F158 HydrophobicContact CE1-CG 4.43Å; F145-F158 HydrophobicContact CE2-CB 3.62Å; F145-F158 HydrophobicContact CE2-CD2 4.01Å; F145-F158 HydrophobicContact CE2-CG 4.03Å; F145-F158 HydrophobicContact CG-CB 4.25Å; F145-F158 HydrophobicContact CZ-CB 3.22Å; F145-F158 HydrophobicContact CZ-CD2 4.29Å; F145-F158 AromaticContact CZ-CG 3.84Å; F145-F158 HydrophobicContact CZ-CG 3.84Å; F145-F158 PolarHBondContact N-O 3.17Å; F145-F158 PolarHBondContact O-N 3.33Å; F145-M160 HydrophobicContact CD1-CE 4.19Å; F145-M160 HydrophobicContact CD1-CG 4.32Å; F145-M160 HydrophobicContact CE1-CE 3.6Å; F145-M160 HydrophobicContact CE1-CG 4.12Å; F145-M160 HydrophobicContact CE1-SD 4.14Å; F145-M160 HydrophobicContact CZ-CE 4.22Å
146L77.4Confident73.8Confident53 Ų5374.4 Ų74.428%0.27736%0.357SS..EExtended strand (participates in β ladder)trans-82.4136.4172.2-66.2-169.9000110.9V16 R17 V155 K156 V157V16-L146 HydrophobicContact CG1-CD2 3.35Å; V16-L146 HydrophobicContact CG1-CG 4.09Å; V16-L146 WeakPolarHBondContact O-CG 3.23Å; V16-L146 PolarHBondContact O-N 2.81Å; V16-L146 VanDerWaalsContact O-N 3.17Å; R17-L146 HydrophobicContact CG-CD1 3.62Å; R17-L146 HydrophobicContact CG-CG 4.26Å; L146-V155 HydrophobicContact CB-CG1 3.71Å; L146-V155 HydrophobicContact CD1-CG1 4.06Å; L146-V155 HydrophobicContact CD2-CG1 3.83Å; L146-V155 HydrophobicContact CG-CG1 4.04Å; L146-K156 CarbonylContact C-O 3.56Å; L146-K156 WeakPolarHBondContact CA-O 3.12Å; L146-V157 HydrophobicContact CD2-CG2 3.76Å
147W75.6Confident74Confident86 Ų8673.5 Ų73.533%0.32636%0.357SS..EExtended strand (participates in β ladder)trans-128.6117.1169.6-177.3-89.7000109.8L20 I81 F145 K156 F158L20-W147 HydrophobicContact CD1-CE3 4.41Å; L20-W147 HydrophobicContact CD1-CZ3 4.45Å; L20-W147 HydrophobicContact CD2-CE3 4.08Å; L20-W147 HydrophobicContact CD2-CZ3 3.61Å; I81-W147 HydrophobicContact CD1-CH2 4.27Å; I81-W147 HydrophobicContact CD1-CZ3 3.79Å; F145-W147 HydrophobicContact CE2-CB 4.4Å; W147-K156 PolarHBondContact N-O 2.71Å; W147-K156 PolarHBondContact O-N 3.48Å; W147-F158 HydrophobicContact CB-CD2 3.54Å; W147-F158 HydrophobicContact CB-CE2 3.52Å; W147-F158 HydrophobicContact CG-CD2 4.3Å; W147-F158 AromaticContact CG-CE2 3.88Å; W147-F158 HydrophobicContact CG-CE2 3.88Å
148K76Confident74.2Confident129 Ų12968.5 Ų68.556%0.56133%0.33SS*.EExtended strand (participates in β ladder)trans-107.9121.9172.8-169178.2-177.3-179.70108.6V155K148-V155 HydrophobicContact CB-CG1 4.5Å; K148-V155 HydrophobicContact CB-CG2 4.15Å; K148-V155 HydrophobicContact CD-CG2 4.1Å; K148-V155 HydrophobicContact CG-CG2 4.1Å
149N71.1Confident74.4Confident22 Ų2265.1 Ų65.112%0.11831%0.314CS..  trans-78.5130.5167.8179.6-19.3000107.7E151 L152N149-E151 PolarHBondContact O-N 3.13Å; N149-E151 VanDerWaalsContact O-N 3.12Å; N149-E151 PolarHBondContact OD1-N 3.46Å; N149-L152 HydrophobicContact CB-CB 4.06Å; N149-L152 HydrophobicContact CB-CD1 3.7Å; N149-L152 HydrophobicContact CB-CG 3.89Å; N149-L152 PolarHBondContact O-N 3.38Å
150P72.6Confident74.6Confident130 Ų13063 Ų6384%0.84430%0.303SS*.THydrogen-bonded Turntrans-52.6-31.2176.1-26.833.8000114.4L152P150-L152 VanDerWaalsContact C-N 3.31Å
151E73.4Confident74.6Confident138 Ų13864.7 Ų64.765%0.64531%0.312SS*.THydrogen-bonded Turntrans-82.2-7.5-179.8-59.4-179.9169.200113.3R48 N149R48-E151 IonicContact CZ-OE1 3.95Å; R48-E151 IonicContact NH1-OE1 3.96Å; R48-E151 PolarHBondContact NH1-OE1 3.43Å; N149-E151 PolarHBondContact O-N 3.13Å; N149-E151 VanDerWaalsContact O-N 3.12Å; N149-E151 PolarHBondContact OD1-N 3.46Å
152L66.9Low74.5Confident60 Ų6065.7 Ų65.731%0.31432%0.315SS..  trans-120.3134.7-174.8-56.6172.3000110.2N149 P150 W154N149-L152 HydrophobicContact CB-CB 4.06Å; N149-L152 HydrophobicContact CB-CD1 3.7Å; N149-L152 HydrophobicContact CB-CG 3.89Å; N149-L152 PolarHBondContact O-N 3.38Å; P150-L152 VanDerWaalsContact C-N 3.31Å; L152-W154 VanDerWaalsContact C-N 3.29Å; L152-W154 HydrophobicContact CB-CZ2 4.48Å; L152-W154 HydrophobicContact CD1-CH2 3.58Å; L152-W154 HydrophobicContact CD1-CZ2 3.36Å; L152-W154 HydrophobicContact CD1-CZ3 4.42Å; L152-W154 HydrophobicContact CG-CZ2 4.33Å; L152-W154 PolarHBondContact O-N 3.23Å
153E74.4Confident74.2Confident189 Ų18965.1 Ų65.188%0.88331%0.313SS*.SBendtrans-70.9-29.2179.4-163.9169.9-170.900112.3
154W71.1Confident73.9Confident86 Ų8665.1 Ų65.133%0.32631%0.314SS..SBendtrans-88150.3-17756.7-93.3000113.1L152 K156L152-W154 VanDerWaalsContact C-N 3.29Å; L152-W154 HydrophobicContact CB-CZ2 4.48Å; L152-W154 HydrophobicContact CD1-CH2 3.58Å; L152-W154 HydrophobicContact CD1-CZ2 3.36Å; L152-W154 HydrophobicContact CD1-CZ3 4.42Å; L152-W154 HydrophobicContact CG-CZ2 4.33Å; L152-W154 PolarHBondContact O-N 3.23Å; W154-K156 HydrophobicContact CE3-CB 4.32Å; W154-K156 HydrophobicContact CE3-CD 4.3Å; W154-K156 HydrophobicContact CE3-CG 3.84Å; W154-K156 HydrophobicContact CH2-CD 3.43Å; W154-K156 VanDerWaalsContact CH2-CD 3.43Å; W154-K156 HydrophobicContact CH2-CG 3.93Å; W154-K156 VanDerWaalsContact CH2-NZ 3.33Å; W154-K156 HydrophobicContact CZ3-CB 3.71Å; W154-K156 HydrophobicContact CZ3-CD 3.2Å; W154-K156 HydrophobicContact CZ3-CG 3.16Å
155V75.7Confident73.2Confident69 Ų6967.2 Ų67.242%0.41833%0.325SS..EExtended strand (participates in β ladder)trans-100.4135.1174.7-173.20000109.3L146 K148L146-V155 HydrophobicContact CB-CG1 3.71Å; L146-V155 HydrophobicContact CD1-CG1 4.06Å; L146-V155 HydrophobicContact CD2-CG1 3.83Å; L146-V155 HydrophobicContact CG-CG1 4.04Å; K148-V155 HydrophobicContact CB-CG1 4.5Å; K148-V155 HydrophobicContact CB-CG2 4.15Å; K148-V155 HydrophobicContact CD-CG2 4.1Å; K148-V155 HydrophobicContact CG-CG2 4.1Å
156K75.8Confident72.5Confident72 Ų7267.8 Ų67.831%0.31333%0.332SS..EExtended strand (participates in β ladder)trans-97.4144.3172.2-106.4167.9-167.1175.10110.4L146 W147 W154 F158L146-K156 CarbonylContact C-O 3.56Å; L146-K156 WeakPolarHBondContact CA-O 3.12Å; W147-K156 PolarHBondContact N-O 2.71Å; W147-K156 PolarHBondContact O-N 3.48Å; W154-K156 HydrophobicContact CE3-CB 4.32Å; W154-K156 HydrophobicContact CE3-CD 4.3Å; W154-K156 HydrophobicContact CE3-CG 3.84Å; W154-K156 HydrophobicContact CH2-CD 3.43Å; W154-K156 VanDerWaalsContact CH2-CD 3.43Å; W154-K156 HydrophobicContact CH2-CG 3.93Å; W154-K156 VanDerWaalsContact CH2-NZ 3.33Å; W154-K156 HydrophobicContact CZ3-CB 3.71Å; W154-K156 HydrophobicContact CZ3-CD 3.2Å; W154-K156 HydrophobicContact CZ3-CG 3.16Å; K156-F158 HydrophobicContact CB-CD2 4.13Å; K156-F158 HydrophobicContact CB-CE2 3.67Å; K156-F158 HydrophobicContact CB-CZ 4.43Å; K156-F158 HydrophobicContact CD-CE2 4.1Å; K156-F158 HydrophobicContact CD-CZ 4.05Å; K156-F158 HydrophobicContact CG-CE2 4.42Å
157V77.6Confident71.3Confident67 Ų6767.9 Ų67.941%0.40635%0.346SS..EExtended strand (participates in β ladder)trans-97.3127.4166.2-170.80000108.1V16 R144 F145 L146V16-V157 HydrophobicContact CG1-CG1 4.27Å; V16-V157 HydrophobicContact CG1-CG2 3.93Å; V16-V157 HydrophobicContact CG2-CG1 4.29Å; R144-V157 HydrophobicContact CB-CG1 3.94Å; R144-V157 HydrophobicContact CG-CG1 4.09Å; F145-V157 WeakPolarHBondContact O-CA 3.35Å; L146-V157 HydrophobicContact CD2-CG2 3.76Å
158F79.5Confident70.5Confident34 Ų3465.9 Ų65.915%0.14934%0.34CS..EExtended strand (participates in β ladder)trans-111.5152.7172.4-75.9-88.1000109.6L30 R144 F145 W147 K156L30-F158 HydrophobicContact CB-CD1 4.34Å; L30-F158 HydrophobicContact CD1-CD1 4.18Å; L30-F158 HydrophobicContact CD1-CE1 4.47Å; R144-F158 CarbonylContact C-O 3.52Å; R144-F158 WeakPolarHBondContact CA-O 3.29Å; F145-F158 HydrophobicContact CD1-CB 3.9Å; F145-F158 HydrophobicContact CD2-CB 4.11Å; F145-F158 HydrophobicContact CE1-CB 3.36Å; F145-F158 HydrophobicContact CE1-CG 4.43Å; F145-F158 HydrophobicContact CE2-CB 3.62Å; F145-F158 HydrophobicContact CE2-CD2 4.01Å; F145-F158 HydrophobicContact CE2-CG 4.03Å; F145-F158 HydrophobicContact CG-CB 4.25Å; F145-F158 HydrophobicContact CZ-CB 3.22Å; F145-F158 HydrophobicContact CZ-CD2 4.29Å; F145-F158 AromaticContact CZ-CG 3.84Å; F145-F158 HydrophobicContact CZ-CG 3.84Å; F145-F158 PolarHBondContact N-O 3.17Å; F145-F158 PolarHBondContact O-N 3.33Å; W147-F158 HydrophobicContact CB-CD2 3.54Å; W147-F158 HydrophobicContact CB-CE2 3.52Å; W147-F158 HydrophobicContact CG-CD2 4.3Å; W147-F158 AromaticContact CG-CE2 3.88Å; W147-F158 HydrophobicContact CG-CE2 3.88Å; K156-F158 HydrophobicContact CB-CD2 4.13Å; K156-F158 HydrophobicContact CB-CE2 3.67Å; K156-F158 HydrophobicContact CB-CZ 4.43Å; K156-F158 HydrophobicContact CD-CE2 4.1Å; K156-F158 HydrophobicContact CD-CZ 4.05Å; K156-F158 HydrophobicContact CG-CE2 4.42Å
159Q78.5Confident69.6Low46 Ų4659.8 Ų59.822%0.21531%0.314CS..EExtended strand (participates in β ladder)trans-122.7131.8177.8-169.1176.1-68.700110A140 R144A140-Q159 VanDerWaalsContact C-CD 3.48Å; A140-Q159 HydrophobicContact CB-CG 4.22Å; A140-Q159 WeakPolarHBondContact O-CG 3.24Å; R144-Q159 HydrophobicContact CG-CB 4.14Å; R144-Q159 HydrophobicContact CG-CG 4.07Å
160M73.6Confident69Low5 Ų560 Ų603%0.02532%0.315CS..EExtended strand (participates in β ladder)trans-79.3142173-66.8-70.6-167.100110.8C28 L30 F83 L135 A140 H143 F145 T164C28-M160 HydrophobicContact CB-SD 4.31Å; L30-M160 HydrophobicContact CD2-CE 4.03Å; L30-M160 HydrophobicContact CD2-SD 3.67Å; F83-M160 HydrophobicContact CD1-CE 4.32Å; F83-M160 HydrophobicContact CD2-CE 4.06Å; F83-M160 HydrophobicContact CE1-CE 3.55Å; F83-M160 HydrophobicContact CE2-CE 3.24Å; F83-M160 HydrophobicContact CZ-CE 2.95Å; L135-M160 HydrophobicContact CD1-CB 4.32Å; A140-M160 WeakPolarHBondContact CB-O 3.29Å; H143-M160 HydrophobicContact CB-CB 3.81Å; H143-M160 HydrophobicContact CB-CG 4.45Å; H143-M160 WeakPolarHBondContact O-CB 3.45Å; H143-M160 PolarHBondContact O-N 3.32Å; F145-M160 HydrophobicContact CD1-CE 4.19Å; F145-M160 HydrophobicContact CD1-CG 4.32Å; F145-M160 HydrophobicContact CE1-CE 3.6Å; F145-M160 HydrophobicContact CE1-CG 4.12Å; F145-M160 HydrophobicContact CE1-SD 4.14Å; F145-M160 HydrophobicContact CZ-CE 4.22Å; M160-T164 HydrophobicContact CB-CG2 4.19Å; M160-T164 HydrophobicContact CE-CG2 3.7Å; M160-T164 HydrophobicContact CG-CG2 3.54Å; M160-T164 HydrophobicContact SD-CG2 3.94Å
161N74.2Confident68.3Low36 Ų3657.2 Ų57.219%0.19329%0.29CS..SBendtrans-106.22.8173.2-52.9-65.9000112R29 R31 L135R29-N161 PolarHBondContact O-ND2 3.29Å; R29-N161 VanDerWaalsContact O-ND2 3.14Å; R31-N161 WeakPolarHBondContact CG-ND2 3.28Å; R31-N161 PolarHBondContact N-ND2 3.3Å; L135-N161 PolarHBondContact N-O 3.31Å
162R70.7Confident67.4Low71 Ų7153.4 Ų53.427%0.26827%0.27SS..BIsolated β-bridgetrans-138.9151.2-175.3-76.6160.5178-75.1-6.9107.7S131 R132 I133 L135 T164S131-R162 WeakPolarHBondContact O-CD 3.42Å; S131-R162 WeakPolarHBondContact O-CG 3.24Å; S131-R162 PolarHBondContact O-NH1 2.93Å; R132-R162 PolarHBondContact O-NH1 3.48Å; I133-R162 WeakPolarHBondContact O-CA 2.97Å; I133-R162 WeakPolarHBondContact O-CB 3.28Å; L135-R162 WeakPolarHBondContact CD1-O 3.02Å; R162-T164 PolarHBondContact O-N 3.43Å
163V67.9Low66.9Low2 Ų251.4 Ų51.41%0.01226%0.26CS..PPolyproline II helixtrans-60.6131.2179.7172.50000109.1F130 I133 L135 L169 I173F130-V163 CarbonylContact C-O 3.44Å; F130-V163 HydrophobicContact CB-CB 4.38Å; F130-V163 HydrophobicContact CB-CG1 4.04Å; F130-V163 HydrophobicContact CD1-CG1 4.21Å; F130-V163 HydrophobicContact CG-CG1 4.46Å; I133-V163 HydrophobicContact CB-CB 4.33Å; I133-V163 HydrophobicContact CB-CG2 3.92Å; I133-V163 HydrophobicContact CG2-CG2 3.77Å; I133-V163 PolarHBondContact O-N 3.27Å; L135-V163 HydrophobicContact CD2-CG2 3.73Å; L135-V163 HydrophobicContact CG-CG2 4.24Å; V163-L169 HydrophobicContact CG1-CB 4.43Å; V163-I173 HydrophobicContact CB-CD1 3.85Å; V163-I173 HydrophobicContact CG1-CD1 3.24Å; V163-I173 HydrophobicContact CG2-CD1 3.41Å; V163-I173 VanDerWaalsContact CG2-CD1 3.41Å; V163-I173 HydrophobicContact CG2-CG1 4.27Å
164T66.8Low65.8Low10 Ų1043 Ų436%0.06122%0.22CC..PPolyproline II helixtrans-91.9156.1172.849.50000111.5F83 M160 R162 G166F83-T164 HydrophobicContact CD2-CG2 3.78Å; F83-T164 HydrophobicContact CE2-CG2 4.17Å; F83-T164 HydrophobicContact CG-CG2 4.21Å; M160-T164 HydrophobicContact CB-CG2 4.19Å; M160-T164 HydrophobicContact CE-CG2 3.7Å; M160-T164 HydrophobicContact CG-CG2 3.54Å; M160-T164 HydrophobicContact SD-CG2 3.94Å; R162-T164 PolarHBondContact O-N 3.43Å; T164-G166 PolarHBondContact O-N 3.03Å
165F63.1Low64.8Low101 Ų10140.3 Ų40.344%0.44321%0.212SC..PPolyproline II helixtrans-61.6127.2174-65.4-91.7000110.6F130F130-F165 AromaticContact CD2-CD1 3.53Å; F130-F165 HydrophobicContact CD2-CD1 3.53Å; F130-F165 AromaticContact CD2-CE1 3.57Å; F130-F165 HydrophobicContact CD2-CE1 3.57Å; F130-F165 HydrophobicContact CD2-CG 4.33Å; F130-F165 HydrophobicContact CD2-CZ 4.37Å; F130-F165 HydrophobicContact CE2-CD1 4.07Å; F130-F165 HydrophobicContact CE2-CE1 4.22Å
166G60.6Low63.5Low18 Ų1838.9 Ų38.919%0.18621%0.205CC..  trans175130.717700000111.3T164 H168 L169 T170T164-G166 PolarHBondContact O-N 3.03Å; G166-H168 VanDerWaalsContact C-N 3.25Å; G166-H168 PolarHBondContact O-N 3.2Å; G166-L169 PolarHBondContact O-N 2.97Å; G166-L169 VanDerWaalsContact O-N 3.11Å; G166-T170 PolarHBondContact O-N 3.43Å
167G52.5Low62.3Low54 Ų5437.9 Ų37.956%0.55721%0.205SC*.Hα-helixtrans-60.7-22.3-162.400000116.9
168H57.8Low60.8Low45 Ų4538 Ų3821%0.20820%0.202CC..Hα-helixtrans-90.6-30.8178.1-77.6-91.2000113.3K95 T100 G166 T170 K171 W172K95-H168 WeakPolarHBondContact CE-CD2 3.08Å; K95-H168 WeakPolarHBondContact CE-NE2 3.28Å; K95-H168 HydrophobicContact CG-CB 4.12Å; K95-H168 WeakPolarHBondContact CG-CD2 3.32Å; T100-H168 PolarHBondContact OG1-ND1 3.11Å; G166-H168 VanDerWaalsContact C-N 3.25Å; G166-H168 PolarHBondContact O-N 3.2Å; H168-T170 VanDerWaalsContact C-N 3.31Å; H168-T170 PolarHBondContact O-N 3.08Å; H168-K171 PolarHBondContact O-N 3.11Å; H168-W172 WeakPolarHBondContact O-CB 2.98Å; H168-W172 PolarHBondContact O-N 2.58Å
169L57.2Low58.9Low1 Ų138.5 Ų38.51%0.00521%0.212CC..Hα-helixtrans-62.4-40.1175.1-78.4155.6000111.4L98 H143 V163 G166 K171 W172 I173L98-L169 HydrophobicContact CD1-CD2 3.74Å; L98-L169 HydrophobicContact CD1-CG 3.67Å; L98-L169 HydrophobicContact CD2-CD2 4.4Å; H143-L169 WeakPolarHBondContact NE2-CD2 2.88Å; V163-L169 HydrophobicContact CG1-CB 4.43Å; G166-L169 PolarHBondContact O-N 2.97Å; G166-L169 VanDerWaalsContact O-N 3.11Å; L169-K171 PolarHBondContact O-N 3.36Å; L169-W172 PolarHBondContact O-N 2.87Å; L169-I173 VanDerWaalsContact O-CD1 3.32Å; L169-I173 WeakPolarHBondContact O-CD1 2.89Å; L169-I173 VanDerWaalsContact O-CG1 3.24Å; L169-I173 WeakPolarHBondContact O-CG1 2.86Å; L169-I173 PolarHBondContact O-N 2.67Å
170T58.3Low57.2Low25 Ų2540.7 Ų40.715%0.15322%0.223CC..Hα-helixtrans-59.5-45.9176-54.90000112F130 G166 H168 L174F130-T170 HydrophobicContact CE1-CG2 3.62Å; F130-T170 VanDerWaalsContact CE1-OG1 3.29Å; F130-T170 WeakPolarHBondContact CE1-OG1 3.46Å; F130-T170 HydrophobicContact CZ-CG2 3.51Å; F130-T170 WeakPolarHBondContact CZ-OG1 3.33Å; G166-T170 PolarHBondContact O-N 3.43Å; H168-T170 VanDerWaalsContact C-N 3.31Å; H168-T170 PolarHBondContact O-N 3.08Å; T170-L174 HydrophobicContact CG2-CD1 4.35Å; T170-L174 WeakPolarHBondContact O-CD1 2.88Å; T170-L174 VanDerWaalsContact O-CG 3.29Å; T170-L174 WeakPolarHBondContact O-CG 3.39Å; T170-L174 PolarHBondContact O-N 2.92Å
171K59.4Low55.9Low73 Ų7343.4 Ų43.432%0.31724%0.236SC..Hα-helixtrans-65-46.7176.6-65.2-169.5178.4-153.30110.5T103 H168 L169 I173 L174 N175T103-K171 PolarHBondContact OG1-NZ 2.86Å; H168-K171 PolarHBondContact O-N 3.11Å; L169-K171 PolarHBondContact O-N 3.36Å; K171-I173 PolarHBondContact O-N 3.27Å; K171-L174 PolarHBondContact O-N 3.31Å; K171-N175 PolarHBondContact O-N 3.08Å; K171-N175 PolarHBondContact O-ND2 2.61Å
172W53.5Low54.3Low57 Ų5745.6 Ų45.622%0.21626%0.258CS..Hα-helixtrans-56.7-48.5-179.5-179.175000112.6H168 L169 L174 N175 C176H168-W172 WeakPolarHBondContact O-CB 2.98Å; H168-W172 PolarHBondContact O-N 2.58Å; L169-W172 PolarHBondContact O-N 2.87Å; W172-L174 VanDerWaalsContact C-N 3.34Å; W172-L174 PolarHBondContact O-N 3.23Å; W172-N175 PolarHBondContact O-N 2.91Å; W172-C176 VanDerWaalsContact CZ2-SG 3.52Å; W172-C176 PolarHBondContact O-N 3.35Å
173I56.7Low52.5Low19 Ų1950.5 Ų50.510%0.09728%0.282CS..Hα-helixtrans-59.8-43.5179.3-70.2159.5000112.2I133 V163 L169 K171 N175 C176 T177I133-I173 HydrophobicContact CD1-CD1 4.42Å; I133-I173 HydrophobicContact CD1-CG2 3.89Å; V163-I173 HydrophobicContact CB-CD1 3.85Å; V163-I173 HydrophobicContact CG1-CD1 3.24Å; V163-I173 HydrophobicContact CG2-CD1 3.41Å; V163-I173 VanDerWaalsContact CG2-CD1 3.41Å; V163-I173 HydrophobicContact CG2-CG1 4.27Å; L169-I173 VanDerWaalsContact O-CD1 3.32Å; L169-I173 WeakPolarHBondContact O-CD1 2.89Å; L169-I173 VanDerWaalsContact O-CG1 3.24Å; L169-I173 WeakPolarHBondContact O-CG1 2.86Å; L169-I173 PolarHBondContact O-N 2.67Å; K171-I173 PolarHBondContact O-N 3.27Å; I173-N175 PolarHBondContact O-N 3.34Å; I173-C176 PolarHBondContact O-N 2.53Å; I173-T177 PolarHBondContact O-N 2.93Å; I173-T177 PolarHBondContact O-OG1 2.94Å
174L52Low51.2Low11 Ų1154 Ų546%0.05832%0.318CS..Hα-helixtrans-58.8-40.8177.7-70.3165.9000110.2L104 Q105 T170 K171 W172 T177 E178 P226 L227L104-L174 HydrophobicContact CB-CB 4.32Å; L104-L174 VanDerWaalsContact CD1-C 3.42Å; L104-L174 HydrophobicContact CD1-CB 3.84Å; L104-L174 VanDerWaalsContact CD1-O 3.24Å; L104-L174 WeakPolarHBondContact CD1-O 3.4Å; L104-L174 HydrophobicContact CG-CB 4.38Å; Q105-L174 HydrophobicContact CG-CD1 3.99Å; T170-L174 HydrophobicContact CG2-CD1 4.35Å; T170-L174 WeakPolarHBondContact O-CD1 2.88Å; T170-L174 VanDerWaalsContact O-CG 3.29Å; T170-L174 WeakPolarHBondContact O-CG 3.39Å; T170-L174 PolarHBondContact O-N 2.92Å; K171-L174 PolarHBondContact O-N 3.31Å; W172-L174 VanDerWaalsContact C-N 3.34Å; W172-L174 PolarHBondContact O-N 3.23Å; L174-T177 WeakPolarHBondContact O-CB 3.12Å; L174-T177 PolarHBondContact O-N 3.23Å; L174-E178 PolarHBondContact O-N 3.27Å; L174-P226 HydrophobicContact CD2-CB 3.83Å; L174-L227 HydrophobicContact CD2-CD2 3.97Å
175N50.2Low49.9Very low30 Ų3055.9 Ų55.916%0.1634%0.34CS..Hα-helixtrans-74.3-32.7-179.7-73.1-86000113.9G101 R102 K171 W172 I173 T177 E178 A179G101-N175 WeakPolarHBondContact CA-ND2 3.42Å; R102-N175 VanDerWaalsContact N-CG 3.32Å; R102-N175 PolarHBondContact N-ND2 2.66Å; R102-N175 VanDerWaalsContact N-ND2 3.13Å; R102-N175 PolarHBondContact N-OD1 2.79Å; R102-N175 PolarHBondContact O-ND2 3Å; R102-N175 PolarHBondContact O-OD1 2.78Å; K171-N175 PolarHBondContact O-N 3.08Å; K171-N175 PolarHBondContact O-ND2 2.61Å; W172-N175 PolarHBondContact O-N 2.91Å; I173-N175 PolarHBondContact O-N 3.34Å; N175-T177 PolarHBondContact O-N 3.14Å; N175-E178 PolarHBondContact O-N 3.45Å; N175-A179 VanDerWaalsContact O-CB 3.26Å; N175-A179 WeakPolarHBondContact O-CB 3.31Å; N175-A179 PolarHBondContact O-N 2.89Å
176C48.5Very low49Very low40 Ų4056.8 Ų56.827%0.2735%0.349SS..Hα-helixtrans-58.6-40.1170.4-69.20000110.5W172 I173 M180W172-C176 VanDerWaalsContact CZ2-SG 3.52Å; W172-C176 PolarHBondContact O-N 3.35Å; I173-C176 PolarHBondContact O-N 2.53Å; C176-M180 WeakPolarHBondContact O-CB 3.44Å; C176-M180 WeakPolarHBondContact O-CG 3.41Å; C176-M180 PolarHBondContact O-N 3.3Å; C176-M180 VanDerWaalsContact O-SD 3.36Å
177T49.3Very low48.2Very low50 Ų5057.8 Ų57.831%0.30735%0.353SS..Hα-helixtrans-63.7-49.9179-35.30000111I173 L174 N175 M180 E181I173-T177 PolarHBondContact O-N 2.93Å; I173-T177 PolarHBondContact O-OG1 2.94Å; L174-T177 WeakPolarHBondContact O-CB 3.12Å; L174-T177 PolarHBondContact O-N 3.23Å; N175-T177 PolarHBondContact O-N 3.14Å; T177-M180 PolarHBondContact O-N 2.91Å; T177-E181 WeakPolarHBondContact O-CG 3.43Å; T177-E181 PolarHBondContact O-N 3.48Å
178E46.7Very low47.5Very low71 Ų7159.3 Ų59.333%0.33236%0.356SS..Hα-helixtrans-68.8-36.6177.8-84.4-170.7-174.500114.7L104 L174 N175 M180 E181 A182L104-E178 HydrophobicContact CD1-CB 3.98Å; L104-E178 HydrophobicContact CD1-CG 3.53Å; L104-E178 WeakPolarHBondContact CD1-OE1 3.39Å; L104-E178 VanDerWaalsContact CD1-OE2 3.28Å; L104-E178 WeakPolarHBondContact CD1-OE2 2.88Å; L104-E178 WeakPolarHBondContact CD2-OE1 3.35Å; L104-E178 WeakPolarHBondContact CD2-OE2 3.29Å; L174-E178 PolarHBondContact O-N 3.27Å; N175-E178 PolarHBondContact O-N 3.45Å; E178-M180 PolarHBondContact O-N 3.49Å; E178-E181 CarbonylContact O-C 3.54Å; E178-E181 WeakPolarHBondContact O-CB 3.21Å; E178-E181 PolarHBondContact O-N 3.25Å; E178-E181 VanDerWaalsContact O-N 3.14Å; E178-A182 WeakPolarHBondContact O-CB 3.5Å; E178-A182 PolarHBondContact O-N 2.93Å
179A38.6Very low46.6Very low44 Ų4463.1 Ų63.136%0.36437%0.372SS..Hα-helixtrans-62.8-36.2174.800000110.6N175 E181 A182 F183N175-A179 VanDerWaalsContact O-CB 3.26Å; N175-A179 WeakPolarHBondContact O-CB 3.31Å; N175-A179 PolarHBondContact O-N 2.89Å; A179-E181 VanDerWaalsContact C-N 3.35Å; A179-A182 PolarHBondContact O-N 3.45Å; A179-F183 WeakPolarHBondContact O-CB 3.45Å; A179-F183 VanDerWaalsContact O-CD2 3.28Å; A179-F183 WeakPolarHBondContact O-CD2 3.3Å; A179-F183 PolarHBondContact O-N 3.1Å; A179-F183 VanDerWaalsContact O-N 3.11Å
180M44.5Very low45.7Very low92 Ų9265 Ų6545%0.45338%0.382SS..Hα-helixtrans-70.4-32.2174.9-67170.681.300111.8C176 T177 E178 F189 L190C176-M180 WeakPolarHBondContact O-CB 3.44Å; C176-M180 WeakPolarHBondContact O-CG 3.41Å; C176-M180 PolarHBondContact O-N 3.3Å; C176-M180 VanDerWaalsContact O-SD 3.36Å; T177-M180 PolarHBondContact O-N 2.91Å; E178-M180 PolarHBondContact O-N 3.49Å; M180-F189 HydrophobicContact CE-CE2 4.17Å; M180-F189 HydrophobicContact CE-CZ 3.59Å; M180-L190 HydrophobicContact CE-CD1 3.9Å
181E45.1Very low44.6Very low62 Ų6267.6 Ų67.629%0.2940%0.398SS..Hα-helixtrans-71.4-37.1171.9-66.9176.9165.800113.2T177 E178 A179 V198T177-E181 WeakPolarHBondContact O-CG 3.43Å; T177-E181 PolarHBondContact O-N 3.48Å; E178-E181 CarbonylContact O-C 3.54Å; E178-E181 WeakPolarHBondContact O-CB 3.21Å; E178-E181 PolarHBondContact O-N 3.25Å; E178-E181 VanDerWaalsContact O-N 3.14Å; A179-E181 VanDerWaalsContact C-N 3.35Å; E181-V198 HydrophobicContact CB-CG2 4.2Å; E181-V198 HydrophobicContact CG-CG2 3.73Å
182A40.5Very low43.3Very low81 Ų8170.4 Ų70.467%0.66942%0.423SS*.Hα-helixtrans-81.6-30.3-174.800000114.2E178 A179E178-A182 WeakPolarHBondContact O-CB 3.5Å; E178-A182 PolarHBondContact O-N 2.93Å; A179-A182 PolarHBondContact O-N 3.45Å
183F33.5Very low42.4Very low175 Ų17572.3 Ų72.377%0.76845%0.451SS*.THydrogen-bonded Turntrans-99.20.5-174-74.7-73.3000115.1A179 G185A179-F183 WeakPolarHBondContact O-CB 3.45Å; A179-F183 VanDerWaalsContact O-CD2 3.28Å; A179-F183 WeakPolarHBondContact O-CD2 3.3Å; A179-F183 PolarHBondContact O-N 3.1Å; A179-F183 VanDerWaalsContact O-N 3.11Å; F183-G185 PolarHBondContact O-N 3.33Å
184G39.6Very low41.5Very low74 Ų7476 Ų7676%0.76347%0.468SS*.THydrogen-bonded Turntrans54.82918000000113.1
185G41.3Very low40.8Very low50 Ų5080 Ų8052%0.51549%0.485SS..  trans-69.7147.4-169.400000112.8F183 S187F183-G185 PolarHBondContact O-N 3.33Å; G185-S187 PolarHBondContact O-N 3.37Å
186D42.7Very low40.3Very low121 Ų12183.3 Ų83.365%0.64750%0.496SS*.  trans-51.7121.7-179.8-176.411.4000112S188 F189D186-S188 WeakPolarHBondContact OD1-CB 3.42Å; D186-S188 PolarHBondContact OD1-N 3.15Å; D186-S188 PolarHBondContact OD1-OG 2.93Å; D186-S188 VanDerWaalsContact OD1-OG 3.08Å; D186-S188 PolarHBondContact OD2-OG 2.76Å; D186-F189 VanDerWaalsContact O-CE1 3.23Å; D186-F189 WeakPolarHBondContact O-CE1 2.9Å
187S44.6Very low39.7Very low39 Ų3986.7 Ų86.727%0.27350%0.504SS..  trans-96.513.9-177.456.70000113G185 F189 L190 K195G185-S187 PolarHBondContact O-N 3.37Å; S187-F189 PolarHBondContact O-N 2.62Å; S187-L190 PolarHBondContact O-N 3.21Å; S187-K195 WeakPolarHBondContact OG-CE 3.33Å
188S38.6Very low39.1Very low86 Ų8687.9 Ų87.960%0.60151%0.511SS*.THydrogen-bonded Turntrans-62.3-20.6-174.457.90000115.1D186D186-S188 WeakPolarHBondContact OD1-CB 3.42Å; D186-S188 PolarHBondContact OD1-N 3.15Å; D186-S188 PolarHBondContact OD1-OG 2.93Å; D186-S188 VanDerWaalsContact OD1-OG 3.08Å; D186-S188 PolarHBondContact OD2-OG 2.76Å
189F38.5Very low38.2Very low124 Ų12496.4 Ų96.454%0.54454%0.54SS..THydrogen-bonded Turntrans-90-4.3179.463-89000114.7M180 D186 S187M180-F189 HydrophobicContact CE-CE2 4.17Å; M180-F189 HydrophobicContact CE-CZ 3.59Å; D186-F189 VanDerWaalsContact O-CE1 3.23Å; D186-F189 WeakPolarHBondContact O-CE1 2.9Å; S187-F189 PolarHBondContact O-N 2.62Å
190L37.5Very low37.9Very low41 Ų41101 Ų10122%0.21555%0.554CS.*SBendtrans-96.7132.6-176.1-69.5-179.2000111.3M180 S187 Q194M180-L190 HydrophobicContact CE-CD1 3.9Å; S187-L190 PolarHBondContact O-N 3.21Å; L190-Q194 HydrophobicContact CB-CB 3.68Å; L190-Q194 HydrophobicContact CD1-CB 4.25Å; L190-Q194 WeakPolarHBondContact CD1-O 2.89Å; L190-Q194 HydrophobicContact CD2-CB 3.95Å; L190-Q194 HydrophobicContact CD2-CG 4.47Å; L190-Q194 HydrophobicContact CG-CB 4.16Å
191T36Very low37.4Very low80 Ų80104 Ų10449%0.49157%0.571SS.*  trans-62.1158.7174.362.60000110.4A193 Q194T191-A193 PolarHBondContact O-N 2.94Å; T191-Q194 WeakPolarHBondContact O-CA 3.29Å; T191-Q194 WeakPolarHBondContact O-CB 3.2Å; T191-Q194 PolarHBondContact O-N 3.03Å; T191-Q194 PolarHBondContact OG1-OE1 3.33Å
192P30.9Very low36.6Very low131 Ų131104.7 Ų104.785%0.85158%0.58SS**THydrogen-bonded Turntrans-53.6-19.3-179.1-28.335.2000115.5Q194P192-Q194 VanDerWaalsContact C-N 3.27Å; P192-Q194 PolarHBondContact O-N 3.38Å
193A35.4Very low36.1Very low98 Ų98105.7 Ų105.781%0.8157%0.57SS**THydrogen-bonded Turntrans-79.4-2.8174.100000114.5T191T191-A193 PolarHBondContact O-N 2.94Å
194Q37Very low35.9Very low96 Ų96103.1 Ų103.145%0.44956%0.564SS.*SBendtrans-124.42.6-168.9-67.8171.1-54.800113.3L190 T191 P192L190-Q194 HydrophobicContact CB-CB 3.68Å; L190-Q194 HydrophobicContact CD1-CB 4.25Å; L190-Q194 WeakPolarHBondContact CD1-O 2.89Å; L190-Q194 HydrophobicContact CD2-CB 3.95Å; L190-Q194 HydrophobicContact CD2-CG 4.47Å; L190-Q194 HydrophobicContact CG-CB 4.16Å; T191-Q194 WeakPolarHBondContact O-CA 3.29Å; T191-Q194 WeakPolarHBondContact O-CB 3.2Å; T191-Q194 PolarHBondContact O-N 3.03Å; T191-Q194 PolarHBondContact OG1-OE1 3.33Å; P192-Q194 VanDerWaalsContact C-N 3.27Å; P192-Q194 PolarHBondContact O-N 3.38Å
195K37Very low35.4Very low96 Ų96103.5 Ų103.542%0.41755%0.552SS.*  trans-88.4117.9173-82.6-173.1173.9-172.80111S187 Y197S187-K195 WeakPolarHBondContact OG-CE 3.33Å; K195-Y197 HydrophobicContact CB-CE2 4.34Å
196Y40.5Very low34.7Very low98 Ų98111.8 Ų111.838%0.38457%0.567SS.*  trans-110.1120.7170.5-178.7-118.6000109.2V198 F203Y196-V198 HydrophobicContact CD1-CG2 3.48Å; Y196-V198 VanDerWaalsContact CD1-CG2 3.48Å; Y196-V198 HydrophobicContact CE1-CB 4.35Å; Y196-V198 HydrophobicContact CE1-CG2 3.55Å; Y196-V198 PolarHBondContact O-N 3.15Å; Y196-F203 AromaticContact CD2-CE1 3.92Å; Y196-F203 HydrophobicContact CD2-CE1 3.92Å; Y196-F203 HydrophobicContact CD2-CE2 4.44Å; Y196-F203 AromaticContact CD2-CZ 3.74Å; Y196-F203 HydrophobicContact CD2-CZ 3.74Å; Y196-F203 HydrophobicContact CE2-CE1 4.03Å; Y196-F203 AromaticContact CE2-CE2 3.76Å; Y196-F203 HydrophobicContact CE2-CE2 3.76Å; Y196-F203 AromaticContact CE2-CZ 3.37Å; Y196-F203 HydrophobicContact CE2-CZ 3.37Å
197Y36.9Very low34.2Very low112 Ų112110.3 Ų110.344%0.43956%0.563SS.*  trans-96.487179.5-68.2-78.8000110.6K195 R199 E200K195-Y197 HydrophobicContact CB-CE2 4.34Å; Y197-R199 PolarHBondContact O-N 3Å; Y197-E200 PolarHBondContact O-N 2.9Å
198V35.5Very low33.8Very low75 Ų75115.9 Ų115.946%0.45559%0.585SS.*THydrogen-bonded Turntrans-58.6-31-177.3-177.50000113.2E181 Y196E181-V198 HydrophobicContact CB-CG2 4.2Å; E181-V198 HydrophobicContact CG-CG2 3.73Å; Y196-V198 HydrophobicContact CD1-CG2 3.48Å; Y196-V198 VanDerWaalsContact CD1-CG2 3.48Å; Y196-V198 HydrophobicContact CE1-CB 4.35Å; Y196-V198 HydrophobicContact CE1-CG2 3.55Å; Y196-V198 PolarHBondContact O-N 3.15Å
199R28Very low33.9Very low250 Ų250117.5 Ų117.594%0.94359%0.591SS**THydrogen-bonded Turntrans-81.9-18.9-172.7-99.8-176.2175.1177.4-0.6115.4Y197Y197-R199 PolarHBondContact O-N 3Å
200E33.1Very low34.5Very low140 Ų140113.5 Ų113.565%0.65458%0.576SS**THydrogen-bonded Turntrans-105.8-5.4-173.7-60.9-163.5168.500113.3Y197 T202Y197-E200 PolarHBondContact O-N 2.9Å; E200-T202 WeakPolarHBondContact CB-OG1 3.35Å; E200-T202 PolarHBondContact O-N 2.71Å; E200-T202 PolarHBondContact O-OG1 3.41Å
201N33.4Very low35.5Very low154 Ų154114 Ų11482%0.82458%0.583SS**THydrogen-bonded Turntrans47.929.3-176.8-140.517.6000112.9
202T27.8Very low36.9Very low77 Ų77111.6 Ų111.647%0.47257%0.569SS.*  trans-128.9118.6-178.640.90000107.8E200 D204E200-T202 WeakPolarHBondContact CB-OG1 3.35Å; E200-T202 PolarHBondContact O-N 2.71Å; E200-T202 PolarHBondContact O-OG1 3.41Å; T202-D204 PolarHBondContact O-N 2.66Å; T202-D204 VanDerWaalsContact O-N 3.08Å
203F31.4Very low38.3Very low102 Ų102107.2 Ų107.245%0.44754%0.535SS..  trans-69.699.9161.7-81.4-96.2000107Y196 T205 L230Y196-F203 AromaticContact CD2-CE1 3.92Å; Y196-F203 HydrophobicContact CD2-CE1 3.92Å; Y196-F203 HydrophobicContact CD2-CE2 4.44Å; Y196-F203 AromaticContact CD2-CZ 3.74Å; Y196-F203 HydrophobicContact CD2-CZ 3.74Å; Y196-F203 HydrophobicContact CE2-CE1 4.03Å; Y196-F203 AromaticContact CE2-CE2 3.76Å; Y196-F203 HydrophobicContact CE2-CE2 3.76Å; Y196-F203 AromaticContact CE2-CZ 3.37Å; Y196-F203 HydrophobicContact CE2-CZ 3.37Å; F203-T205 PolarHBondContact O-N 3.19Å; F203-L230 HydrophobicContact CD2-CD2 3.94Å; F203-L230 HydrophobicContact CE1-CD1 3.84Å; F203-L230 HydrophobicContact CE1-CD2 3.98Å; F203-L230 HydrophobicContact CE1-CG 4.37Å; F203-L230 HydrophobicContact CE2-CD1 4.4Å; F203-L230 HydrophobicContact CE2-CD2 3.1Å; F203-L230 HydrophobicContact CE2-CG 4.04Å; F203-L230 HydrophobicContact CZ-CD1 3.54Å; F203-L230 HydrophobicContact CZ-CD2 3.13Å; F203-L230 HydrophobicContact CZ-CG 3.59Å
204D29Very low39.7Very low121 Ų121106.6 Ų106.665%0.64752%0.518SS*.  trans-74.954.5158.8-162.317.7000109.5T202T202-D204 PolarHBondContact O-N 2.66Å; T202-D204 VanDerWaalsContact O-N 3.08Å
205T29.7Very low40.9Very low83 Ų83102.9 Ų102.951%0.50951%0.505SS..  trans-79.9112.1139.850.40000103.9F203 V207F203-T205 PolarHBondContact O-N 3.19Å; T205-V207 PolarHBondContact O-N 3.43Å
206R26.3Very low41.9Very low223 Ų22399.3 Ų99.384%0.84249%0.491SS*.  trans-51.893.5148.5-77.2-176.8177.5-175.6-1.3105.7E208R206-E208 PolarHBondContact O-N 3.38Å
207V32.3Very low42.9Very low91 Ų9197.9 Ų97.955%0.55249%0.49SS*.  trans-68.187.7164.3-178.60000101.9T205 T209 K219T205-V207 PolarHBondContact O-N 3.43Å; V207-T209 PolarHBondContact O-N 3.42Å; V207-K219 HydrophobicContact CG1-CD 4.17Å
208E34.5Very low43.8Very low156 Ų15694.2 Ų94.273%0.72949%0.486SS*.  trans-44.5117.4161.1-75.2-178.9161.700104.8R206 V210 K219R206-E208 PolarHBondContact O-N 3.38Å; E208-V210 VanDerWaalsContact C-N 3.34Å; E208-V210 VanDerWaalsContact O-CG2 3.31Å; E208-V210 WeakPolarHBondContact O-CG2 3.23Å; E208-V210 PolarHBondContact O-N 3.32Å; E208-K219 PolarHBondContact O-NZ 3.31Å
209T41.6Very low44.9Very low119 Ų11993.5 Ų93.573%0.7348%0.477SS*.  trans-53.4104.5-176.242.80000106.4V207 S211V207-T209 PolarHBondContact O-N 3.42Å; T209-S211 PolarHBondContact O-N 2.86Å
210V50.7Low46.2Very low40 Ų4082.6 Ų82.624%0.24244%0.437CS..  trans-82.8109.3177.9-167.50000104.5E208 T212 K219 T255E208-V210 VanDerWaalsContact C-N 3.34Å; E208-V210 VanDerWaalsContact O-CG2 3.31Å; E208-V210 WeakPolarHBondContact O-CG2 3.23Å; E208-V210 PolarHBondContact O-N 3.32Å; V210-T212 PolarHBondContact O-N 2.83Å; V210-K219 HydrophobicContact CG2-CD 3.41Å; V210-K219 VanDerWaalsContact CG2-CD 3.41Å; V210-K219 HydrophobicContact CG2-CG 4.12Å; V210-K219 VanDerWaalsContact CG2-NZ 3.27Å; V210-T255 PolarHBondContact O-OG1 3.44Å
211S58.1Low47.1Very low51 Ų5180 Ų8036%0.35744%0.439SS..  trans-60.6-33.4178.6450000109.7T209 D254 T255T209-S211 PolarHBondContact O-N 2.86Å; S211-D254 WeakPolarHBondContact CA-OD1 3Å; S211-D254 VanDerWaalsContact CB-OD1 3.22Å; S211-D254 WeakPolarHBondContact CB-OD1 3.28Å; S211-D254 CarbonylContact O-C 3.57Å; S211-D254 WeakPolarHBondContact O-CA 3.31Å; S211-T255 WeakPolarHBondContact O-CA 3.47Å; S211-T255 VanDerWaalsContact O-CB 3.28Å; S211-T255 WeakPolarHBondContact O-CB 3.49Å; S211-T255 WeakPolarHBondContact O-CG2 3.47Å; S211-T255 PolarHBondContact O-N 3.14Å; S211-T255 PolarHBondContact O-OG1 3.06Å
212T65.1Low47.8Very low31 Ų3181 Ų8119%0.1944%0.436CS..BIsolated β-bridgetrans-96.5148.4-168.170.80000115.7V210 L214 G215 V216 W251 D252 D253V210-T212 PolarHBondContact O-N 2.83Å; T212-L214 VanDerWaalsContact C-N 3.26Å; T212-L214 PolarHBondContact O-N 3.45Å; T212-G215 WeakPolarHBondContact O-CA 3.5Å; T212-G215 PolarHBondContact O-N 3.29Å; T212-G215 PolarHBondContact OG1-N 2.98Å; T212-V216 PolarHBondContact O-N 3.35Å; T212-W251 WeakPolarHBondContact CB-O 3.44Å; T212-D252 VanDerWaalsContact CG2-O 3.25Å; T212-D252 WeakPolarHBondContact CG2-O 3.33Å; T212-D253 WeakPolarHBondContact CA-O 3.48Å
213R60.7Low48.8Very low38 Ų3880.3 Ų80.314%0.14343%0.429CS..Hα-helixtrans-56.7-38.6175.2-179.4179.6174-154.6-9.4112.3G215 L217 H241 L244 G245 S249 W251 T255R213-G215 VanDerWaalsContact C-N 3.31Å; R213-L217 PolarHBondContact O-N 3.5Å; R213-H241 WeakPolarHBondContact CG-ND1 3.37Å; R213-H241 PolarHBondContact NE-CE1 3.2Å; R213-H241 PolarHBondContact NE-O 2.87Å; R213-H241 PolarHBondContact NH2-NE2 3.31Å; R213-L244 HydrophobicContact CB-CD1 4.44Å; R213-L244 HydrophobicContact CG-CB 4.34Å; R213-L244 HydrophobicContact CG-CD1 4.35Å; R213-G245 VanDerWaalsContact CZ-CA 3.44Å; R213-S249 PolarHBondContact NH1-O 3.2Å; R213-W251 PolarHBondContact N-O 2.9Å; R213-T255 HydrophobicContact CB-CG2 4.48Å
214L65Low49.5Very low86 Ų8677.7 Ų77.745%0.4542%0.423SS..Hα-helixtrans-63.7-38.7174-175.964.1000111.8T212 L217 G218 W251T212-L214 VanDerWaalsContact C-N 3.26Å; T212-L214 PolarHBondContact O-N 3.45Å; L214-L217 PolarHBondContact O-N 2.95Å; L214-G218 PolarHBondContact O-N 2.83Å; L214-W251 HydrophobicContact CB-CB 4.27Å; L214-W251 HydrophobicContact CB-CE3 4.3Å; L214-W251 WeakPolarHBondContact CB-O 3.03Å; L214-W251 HydrophobicContact CD1-CE3 4.01Å; L214-W251 HydrophobicContact CD1-CZ3 4.5Å; L214-W251 PolarHBondContact N-O 3.34Å
215G61.8Low50.7Low18 Ų1873.3 Ų73.319%0.18640%0.4CS..Hα-helixtrans-75.9-27.9-178.400000113.8T212 R213 K219T212-G215 WeakPolarHBondContact O-CA 3.5Å; T212-G215 PolarHBondContact O-N 3.29Å; T212-G215 PolarHBondContact OG1-N 2.98Å; R213-G215 VanDerWaalsContact C-N 3.31Å; G215-K219 WeakPolarHBondContact O-CB 3.27Å; G215-K219 WeakPolarHBondContact O-CG 3.36Å; G215-K219 PolarHBondContact O-N 3.43Å
216V59.5Low51.4Low20 Ų2071.5 Ų71.512%0.12139%0.389CS..Hα-helixtrans-59.3-51.7164.8174.50000110T212 G218 K219 M220 T255T212-V216 PolarHBondContact O-N 3.35Å; V216-G218 PolarHBondContact O-N 3.42Å; V216-K219 PolarHBondContact O-N 2.6Å; V216-K219 VanDerWaalsContact O-N 3.15Å; V216-M220 HydrophobicContact CG1-CG 4.49Å; V216-M220 HydrophobicContact CG1-SD 3.75Å; V216-M220 VanDerWaalsContact O-CG 3.27Å; V216-M220 WeakPolarHBondContact O-CG 2.91Å; V216-M220 PolarHBondContact O-N 2.98Å; V216-T255 HydrophobicContact CG2-CG2 4.11Å
217L60.1Low52.3Low69 Ų6962.2 Ų62.236%0.36136%0.356SS..Hα-helixtrans-60.6-43.9178-172.972.4000112.1R213 L214 K219 M220 A221 W251R213-L217 PolarHBondContact O-N 3.5Å; L214-L217 PolarHBondContact O-N 2.95Å; L217-K219 VanDerWaalsContact C-N 3.25Å; L217-K219 PolarHBondContact O-N 3.34Å; L217-M220 PolarHBondContact O-N 3.32Å; L217-A221 WeakPolarHBondContact O-CB 3.42Å; L217-A221 PolarHBondContact O-N 3.34Å; L217-W251 HydrophobicContact CD2-CZ3 3.98Å
218G56.9Low53.2Low34 Ų3459.9 Ų59.935%0.35135%0.35SS..Hα-helixtrans-64.2-28.617800000113.3L214 V216 K222L214-G218 PolarHBondContact O-N 2.83Å; V216-G218 PolarHBondContact O-N 3.42Å; G218-K222 WeakPolarHBondContact O-CG 3.48Å
219K57.3Low54Low61 Ų6157.4 Ų57.427%0.26534%0.341SS..Hα-helixtrans-76.3-44170.9-79.4-168.6171.6-177.30111.8V207 E208 V210 G215 V216 L217 A221 K222 I223V207-K219 HydrophobicContact CG1-CD 4.17Å; E208-K219 PolarHBondContact O-NZ 3.31Å; V210-K219 HydrophobicContact CG2-CD 3.41Å; V210-K219 VanDerWaalsContact CG2-CD 3.41Å; V210-K219 HydrophobicContact CG2-CG 4.12Å; V210-K219 VanDerWaalsContact CG2-NZ 3.27Å; G215-K219 WeakPolarHBondContact O-CB 3.27Å; G215-K219 WeakPolarHBondContact O-CG 3.36Å; G215-K219 PolarHBondContact O-N 3.43Å; V216-K219 PolarHBondContact O-N 2.6Å; V216-K219 VanDerWaalsContact O-N 3.15Å; L217-K219 VanDerWaalsContact C-N 3.25Å; L217-K219 PolarHBondContact O-N 3.34Å; K219-A221 VanDerWaalsContact C-N 3.3Å; K219-A221 PolarHBondContact O-N 3.02Å; K219-K222 WeakPolarHBondContact O-CB 3.28Å; K219-K222 PolarHBondContact O-N 3.34Å; K219-I223 PolarHBondContact O-N 3.25Å
220M55.8Low54.5Low20 Ų2053 Ų5310%0.09931%0.314CS..Hα-helixtrans-57.9-43.1176.2-66.3161.468.100111.9V216 L217 K222 I223 A237 E238V216-M220 HydrophobicContact CG1-CG 4.49Å; V216-M220 HydrophobicContact CG1-SD 3.75Å; V216-M220 VanDerWaalsContact O-CG 3.27Å; V216-M220 WeakPolarHBondContact O-CG 2.91Å; V216-M220 PolarHBondContact O-N 2.98Å; L217-M220 PolarHBondContact O-N 3.32Å; M220-K222 PolarHBondContact O-N 2.82Å; M220-K222 VanDerWaalsContact O-N 3.1Å; M220-I223 WeakPolarHBondContact O-CB 3.2Å; M220-I223 PolarHBondContact O-N 2.91Å; M220-A237 HydrophobicContact CE-CB 3.84Å; M220-A237 HydrophobicContact CG-CB 3.56Å; M220-A237 HydrophobicContact SD-CB 3.51Å; M220-A237 VanDerWaalsContact SD-CB 3.51Å; M220-E238 HydrophobicContact CE-CB 3.96Å; M220-E238 HydrophobicContact CE-CG 3.14Å; M220-E238 VanDerWaalsContact CE-N 3.3Å
221A52.5Low54.7Low85 Ų8553.9 Ų53.970%0.70232%0.321SS*.THydrogen-bonded Turntrans-64.1-15.4177.800000114.2L217 K219L217-A221 WeakPolarHBondContact O-CB 3.42Å; L217-A221 PolarHBondContact O-N 3.34Å; K219-A221 VanDerWaalsContact C-N 3.3Å; K219-A221 PolarHBondContact O-N 3.02Å
222K48.1Very low54.3Low176 Ų17656.2 Ų56.277%0.76534%0.335SS*.THydrogen-bonded Turntrans-89.3-16173.4-67.4172.5-176.1178.50112.5G218 K219 M220 C224G218-K222 WeakPolarHBondContact O-CG 3.48Å; K219-K222 WeakPolarHBondContact O-CB 3.28Å; K219-K222 PolarHBondContact O-N 3.34Å; M220-K222 PolarHBondContact O-N 2.82Å; M220-K222 VanDerWaalsContact O-N 3.1Å; K222-C224 PolarHBondContact O-N 3.28Å
223I48.2Very low53.7Low62 Ų6257.5 Ų57.532%0.31835%0.349SS..  trans-74.7112.7177.8-60.3174.3000107.8K219 M220 L230 V234K219-I223 PolarHBondContact O-N 3.25Å; M220-I223 WeakPolarHBondContact O-CB 3.2Å; M220-I223 PolarHBondContact O-N 2.91Å; I223-L230 HydrophobicContact CG2-CB 4.18Å; I223-L230 HydrophobicContact CG2-CD1 3.55Å; I223-L230 HydrophobicContact CG2-CG 4.47Å; I223-V234 HydrophobicContact CB-CG2 4.26Å; I223-V234 HydrophobicContact CD1-CG2 4.25Å; I223-V234 HydrophobicContact CG2-CG2 3.71Å
224C45.8Very low53.5Low47 Ų4757 Ų5732%0.31835%0.35SS..  trans-99.9116.9170-172.70000107.3K222 P226K222-C224 PolarHBondContact O-N 3.28Å; C224-P226 VanDerWaalsContact C-CD 3.44Å; C224-P226 WeakPolarHBondContact O-CD 3.22Å
225D55.5Low53.1Low30 Ų3054.6 Ų54.616%0.1634%0.339CS..  trans-11677.2-179.1-173.914.8000111.4L227 G228 L229 L230 S231D225-L227 PolarHBondContact O-N 2.98Å; D225-L227 PolarHBondContact OD1-N 2.96Å; D225-G228 VanDerWaalsContact CG-CA 3.4Å; D225-G228 VanDerWaalsContact CG-N 3.31Å; D225-G228 PolarHBondContact O-N 2.78Å; D225-G228 WeakPolarHBondContact OD1-CA 3.2Å; D225-G228 PolarHBondContact OD1-N 2.85Å; D225-G228 WeakPolarHBondContact OD2-CA 3.25Å; D225-G228 PolarHBondContact OD2-N 3.36Å; D225-L229 PolarHBondContact OD1-N 3.14Å; D225-L229 PolarHBondContact OD2-N 3.45Å; D225-L229 VanDerWaalsContact OD2-N 3.14Å; D225-L230 HydrophobicContact CB-CB 3.91Å; D225-L230 VanDerWaalsContact CG-N 3.27Å; D225-L230 PolarHBondContact OD1-N 3.48Å; D225-L230 VanDerWaalsContact OD2-C 3.31Å; D225-L230 VanDerWaalsContact OD2-CA 3.31Å; D225-L230 WeakPolarHBondContact OD2-CA 3.41Å; D225-L230 WeakPolarHBondContact OD2-CB 3.5Å; D225-L230 PolarHBondContact OD2-N 2.93Å; D225-S231 PolarHBondContact OD2-N 2.81Å
226P42.5Very low53Low44 Ų4455.4 Ų55.429%0.28635%0.348SS..THydrogen-bonded Turntrans-64.4-22.1-179.924.5-32.5000114M129 L174 C224M129-P226 VanDerWaalsContact CE-CA 3.4Å; M129-P226 HydrophobicContact CE-CB 3.42Å; M129-P226 VanDerWaalsContact CE-CB 3.42Å; M129-P226 HydrophobicContact CE-CG 4.41Å; L174-P226 HydrophobicContact CD2-CB 3.83Å; C224-P226 VanDerWaalsContact C-CD 3.44Å; C224-P226 WeakPolarHBondContact O-CD 3.22Å
227L46.1Very low53.1Low29 Ų2955.6 Ų55.615%0.15235%0.351CS..THydrogen-bonded Turntrans-103.7-6.4-174.4-63.3175.6000113.1L104 L174 D225 L229L104-L227 HydrophobicContact CB-CD2 4.4Å; L174-L227 HydrophobicContact CD2-CD2 3.97Å; D225-L227 PolarHBondContact O-N 2.98Å; D225-L227 PolarHBondContact OD1-N 2.96Å; L227-L229 HydrophobicContact CB-CB 4.41Å; L227-L229 HydrophobicContact CB-CD1 3.75Å; L227-L229 HydrophobicContact CB-CG 3.64Å; L227-L229 HydrophobicContact CD1-CD1 3.64Å; L227-L229 HydrophobicContact CD1-CG 4.48Å; L227-L229 HydrophobicContact CG-CD1 4.35Å; L227-L229 PolarHBondContact O-N 2.95Å
228G51.1Low53.3Low42 Ų4254.4 Ų54.443%0.43334%0.344SS..SBendtrans69.910.2-172.400000113.4D225 S231D225-G228 VanDerWaalsContact CG-CA 3.4Å; D225-G228 VanDerWaalsContact CG-N 3.31Å; D225-G228 PolarHBondContact O-N 2.78Å; D225-G228 WeakPolarHBondContact OD1-CA 3.2Å; D225-G228 PolarHBondContact OD1-N 2.85Å; D225-G228 WeakPolarHBondContact OD2-CA 3.25Å; D225-G228 PolarHBondContact OD2-N 3.36Å; G228-S231 VanDerWaalsContact O-CB 3.23Å; G228-S231 WeakPolarHBondContact O-CB 3.5Å; G228-S231 PolarHBondContact O-N 3.41Å
229L51.3Low53.7Low103 Ų10355.6 Ų55.654%0.53934%0.341SS..SBendtrans-75.9-27.9-176-67.1175.8000112D225 L227D225-L229 PolarHBondContact OD1-N 3.14Å; D225-L229 PolarHBondContact OD2-N 3.45Å; D225-L229 VanDerWaalsContact OD2-N 3.14Å; L227-L229 HydrophobicContact CB-CB 4.41Å; L227-L229 HydrophobicContact CB-CD1 3.75Å; L227-L229 HydrophobicContact CB-CG 3.64Å; L227-L229 HydrophobicContact CD1-CD1 3.64Å; L227-L229 HydrophobicContact CD1-CG 4.48Å; L227-L229 HydrophobicContact CG-CD1 4.35Å; L227-L229 PolarHBondContact O-N 2.95Å
230L52.3Low54.1Low28 Ų2855.9 Ų55.915%0.14735%0.345CS..SBendtrans-89.6-4.1175.6-76.6175.1000113.2F203 I223 D225 P232 A233 V234F203-L230 HydrophobicContact CD2-CD2 3.94Å; F203-L230 HydrophobicContact CE1-CD1 3.84Å; F203-L230 HydrophobicContact CE1-CD2 3.98Å; F203-L230 HydrophobicContact CE1-CG 4.37Å; F203-L230 HydrophobicContact CE2-CD1 4.4Å; F203-L230 HydrophobicContact CE2-CD2 3.1Å; F203-L230 HydrophobicContact CE2-CG 4.04Å; F203-L230 HydrophobicContact CZ-CD1 3.54Å; F203-L230 HydrophobicContact CZ-CD2 3.13Å; F203-L230 HydrophobicContact CZ-CG 3.59Å; I223-L230 HydrophobicContact CG2-CB 4.18Å; I223-L230 HydrophobicContact CG2-CD1 3.55Å; I223-L230 HydrophobicContact CG2-CG 4.47Å; D225-L230 HydrophobicContact CB-CB 3.91Å; D225-L230 VanDerWaalsContact CG-N 3.27Å; D225-L230 PolarHBondContact OD1-N 3.48Å; D225-L230 VanDerWaalsContact OD2-C 3.31Å; D225-L230 VanDerWaalsContact OD2-CA 3.31Å; D225-L230 WeakPolarHBondContact OD2-CA 3.41Å; D225-L230 WeakPolarHBondContact OD2-CB 3.5Å; D225-L230 PolarHBondContact OD2-N 2.93Å; L230-P232 VanDerWaalsContact C-CD 3.48Å; L230-P232 VanDerWaalsContact C-N 3.31Å; L230-A233 HydrophobicContact CD2-CB 4.29Å; L230-A233 WeakPolarHBondContact O-CA 3.33Å; L230-A233 WeakPolarHBondContact O-CB 3.38Å; L230-A233 PolarHBondContact O-N 3.15Å; L230-V234 HydrophobicContact CB-CG2 4.34Å; L230-V234 WeakPolarHBondContact O-CG2 3.35Å; L230-V234 PolarHBondContact O-N 3.21Å
231S53.9Low54.6Low58 Ų5856.3 Ų56.341%0.40635%0.346SS..Hα-helixtrans-46.3-47.6177.9-179.40000112.7D225 G228 A233 V234 T235D225-S231 PolarHBondContact OD2-N 2.81Å; G228-S231 VanDerWaalsContact O-CB 3.23Å; G228-S231 WeakPolarHBondContact O-CB 3.5Å; G228-S231 PolarHBondContact O-N 3.41Å; S231-A233 VanDerWaalsContact C-N 3.32Å; S231-A233 PolarHBondContact O-N 3.01Å; S231-V234 PolarHBondContact O-N 2.88Å; S231-T235 VanDerWaalsContact O-CB 3.22Å; S231-T235 WeakPolarHBondContact O-CB 3.37Å; S231-T235 PolarHBondContact O-N 2.87Å; S231-T235 PolarHBondContact O-OG1 3.23Å
232P50.3Low55.5Low100 Ų10059 Ų5965%0.64934%0.338SS*.Hα-helixtrans-60.9-36.3177-23.735.1000114.3L230 G236L230-P232 VanDerWaalsContact C-CD 3.48Å; L230-P232 VanDerWaalsContact C-N 3.31Å; P232-G236 PolarHBondContact O-N 3.41Å
233A52.3Low56.6Low58 Ų5854.9 Ų54.948%0.47932%0.322SS..Hα-helixtrans-75.6-42178.900000111.9L230 S231 G236 A237L230-A233 HydrophobicContact CD2-CB 4.29Å; L230-A233 WeakPolarHBondContact O-CA 3.33Å; L230-A233 WeakPolarHBondContact O-CB 3.38Å; L230-A233 PolarHBondContact O-N 3.15Å; S231-A233 VanDerWaalsContact C-N 3.32Å; S231-A233 PolarHBondContact O-N 3.01Å; A233-G236 PolarHBondContact O-N 3.43Å; A233-A237 WeakPolarHBondContact O-CB 3.46Å; A233-A237 PolarHBondContact O-N 3.43Å
234V57Low57.6Low28 Ų2852 Ų5217%0.1731%0.307CS..Hα-helixtrans-62.5-47.7174.8176.70000109.9I223 L230 S231 G236 A237 E238I223-V234 HydrophobicContact CB-CG2 4.26Å; I223-V234 HydrophobicContact CD1-CG2 4.25Å; I223-V234 HydrophobicContact CG2-CG2 3.71Å; L230-V234 HydrophobicContact CB-CG2 4.34Å; L230-V234 WeakPolarHBondContact O-CG2 3.35Å; L230-V234 PolarHBondContact O-N 3.21Å; S231-V234 PolarHBondContact O-N 2.88Å; V234-G236 PolarHBondContact O-N 3.16Å; V234-A237 PolarHBondContact O-N 3.15Å; V234-A237 VanDerWaalsContact O-N 3.15Å; V234-E238 WeakPolarHBondContact O-CG 3.39Å; V234-E238 PolarHBondContact O-N 3Å
235T56.9Low58.9Low34 Ų3451.1 Ų51.121%0.20931%0.306CS..Hα-helixtrans-60.7-42.6175.4-62.50000111.9F122 S231 A237 E238 I239F122-T235 HydrophobicContact CB-CG2 4.29Å; F122-T235 HydrophobicContact CD2-CG2 3.46Å; F122-T235 VanDerWaalsContact CD2-CG2 3.46Å; F122-T235 HydrophobicContact CE2-CG2 4.08Å; F122-T235 HydrophobicContact CG-CG2 4.11Å; S231-T235 VanDerWaalsContact O-CB 3.22Å; S231-T235 WeakPolarHBondContact O-CB 3.37Å; S231-T235 PolarHBondContact O-N 2.87Å; S231-T235 PolarHBondContact O-OG1 3.23Å; T235-A237 VanDerWaalsContact C-N 3.31Å; T235-A237 PolarHBondContact O-N 2.96Å; T235-E238 PolarHBondContact O-N 3.11Å; T235-I239 HydrophobicContact CG2-CD1 3.98Å; T235-I239 HydrophobicContact CG2-CG1 4.45Å; T235-I239 VanDerWaalsContact O-CG1 3.28Å; T235-I239 WeakPolarHBondContact O-CG1 3.22Å; T235-I239 PolarHBondContact O-N 2.87Å
236G59.8Low59.7Low36 Ų3654.8 Ų54.837%0.37132%0.324SS..Hα-helixtrans-58.9-41.8174.100000112.8P232 A233 V234 I239 M240P232-G236 PolarHBondContact O-N 3.41Å; A233-G236 PolarHBondContact O-N 3.43Å; V234-G236 PolarHBondContact O-N 3.16Å; G236-I239 PolarHBondContact O-N 2.65Å; G236-M240 PolarHBondContact O-N 3.44Å
237A62.3Low61Low23 Ų2357.6 Ų57.619%0.1933%0.33CS..Hα-helixtrans-69.1-35176.200000112.5M220 A233 V234 T235 M240 H241M220-A237 HydrophobicContact CE-CB 3.84Å; M220-A237 HydrophobicContact CG-CB 3.56Å; M220-A237 HydrophobicContact SD-CB 3.51Å; M220-A237 VanDerWaalsContact SD-CB 3.51Å; A233-A237 WeakPolarHBondContact O-CB 3.46Å; A233-A237 PolarHBondContact O-N 3.43Å; V234-A237 PolarHBondContact O-N 3.15Å; V234-A237 VanDerWaalsContact O-N 3.15Å; T235-A237 VanDerWaalsContact C-N 3.31Å; T235-A237 PolarHBondContact O-N 2.96Å; A237-M240 PolarHBondContact O-N 3.24Å; A237-H241 WeakPolarHBondContact O-CB 3.28Å; A237-H241 PolarHBondContact O-N 2.87Å
238E63.8Low62.4Low45 Ų4559 Ų5921%0.2135%0.351CS..Hα-helixtrans-64.6-44.6172-73.4-177.8162.300111.8F122 A124 M220 V234 T235 M240 H241 W242F122-E238 WeakPolarHBondContact CB-OE2 3.45Å; F122-E238 HydrophobicContact CD1-CB 4.44Å; A124-E238 WeakPolarHBondContact CB-OE1 3.37Å; M220-E238 HydrophobicContact CE-CB 3.96Å; M220-E238 HydrophobicContact CE-CG 3.14Å; M220-E238 VanDerWaalsContact CE-N 3.3Å; V234-E238 WeakPolarHBondContact O-CG 3.39Å; V234-E238 PolarHBondContact O-N 3Å; T235-E238 PolarHBondContact O-N 3.11Å; E238-M240 VanDerWaalsContact C-N 3.3Å; E238-M240 PolarHBondContact O-N 3.49Å; E238-H241 PolarHBondContact O-N 3.17Å; E238-W242 VanDerWaalsContact O-CB 3.31Å; E238-W242 WeakPolarHBondContact O-CB 3.39Å; E238-W242 PolarHBondContact O-N 3.4Å
239I65.4Low63.3Low59 Ų5957.3 Ų57.330%0.30333%0.333SS..Hα-helixtrans-58.3-46.3175.2-69.4164.5000109.8F122 T235 G236 W242 Q243F122-I239 HydrophobicContact CD2-CG1 4.38Å; F122-I239 HydrophobicContact CE1-CG1 4.44Å; F122-I239 HydrophobicContact CE2-CD1 3.88Å; F122-I239 HydrophobicContact CE2-CG1 3.47Å; F122-I239 VanDerWaalsContact CE2-CG1 3.47Å; F122-I239 HydrophobicContact CZ-CD1 4.4Å; F122-I239 HydrophobicContact CZ-CG1 3.52Å; T235-I239 HydrophobicContact CG2-CD1 3.98Å; T235-I239 HydrophobicContact CG2-CG1 4.45Å; T235-I239 VanDerWaalsContact O-CG1 3.28Å; T235-I239 WeakPolarHBondContact O-CG1 3.22Å; T235-I239 PolarHBondContact O-N 2.87Å; G236-I239 PolarHBondContact O-N 2.65Å; I239-W242 PolarHBondContact O-N 3.32Å; I239-Q243 HydrophobicContact CG2-CG 4.37Å; I239-Q243 WeakPolarHBondContact O-CB 3.47Å; I239-Q243 VanDerWaalsContact O-CG 3.28Å; I239-Q243 WeakPolarHBondContact O-CG 3.44Å; I239-Q243 PolarHBondContact O-N 3.4Å
240M64.8Low64.4Low67 Ų6757.5 Ų57.533%0.3333%0.334SS..Hα-helixtrans-61.4-47.8176.8-173.4-177.5-174.200111.4G236 A237 E238 W242 Q243 L244G236-M240 PolarHBondContact O-N 3.44Å; A237-M240 PolarHBondContact O-N 3.24Å; E238-M240 VanDerWaalsContact C-N 3.3Å; E238-M240 PolarHBondContact O-N 3.49Å; M240-W242 VanDerWaalsContact C-N 3.28Å; M240-W242 PolarHBondContact O-N 2.83Å; M240-Q243 PolarHBondContact O-N 3.17Å; M240-L244 HydrophobicContact CG-CD1 4.18Å; M240-L244 WeakPolarHBondContact O-CD1 3.45Å; M240-L244 VanDerWaalsContact O-CG 3.27Å; M240-L244 WeakPolarHBondContact O-CG 3.37Å; M240-L244 PolarHBondContact O-N 2.88Å
241H67.3Low65.2Low28 Ų2861.9 Ų61.913%0.1335%0.349CS..Hα-helixtrans-58.8-40177.6-178.680.3000112.2R213 A237 E238 G245 W251R213-H241 WeakPolarHBondContact CG-ND1 3.37Å; R213-H241 PolarHBondContact NE-CE1 3.2Å; R213-H241 PolarHBondContact NE-O 2.87Å; R213-H241 PolarHBondContact NH2-NE2 3.31Å; A237-H241 WeakPolarHBondContact O-CB 3.28Å; A237-H241 PolarHBondContact O-N 2.87Å; E238-H241 PolarHBondContact O-N 3.17Å; H241-G245 PolarHBondContact O-N 3.34Å; H241-G245 VanDerWaalsContact O-N 3.1Å; H241-W251 AromaticContact CE1-CH2 3.99Å; H241-W251 AromaticContact CE1-CZ3 3.5Å; H241-W251 VanDerWaalsContact CE1-CZ3 3.5Å; H241-W251 WeakPolarHBondContact CE1-CZ3 3.43Å; H241-W251 AromaticContact NE2-CZ3 3.98Å
242W71.9Confident66.3Low143 Ų14364.9 Ų64.954%0.54236%0.36SS..Hα-helixtrans-68.8-45.5177.3-177.480.9000112.2E238 I239 M240 L244 G245 L246E238-W242 VanDerWaalsContact O-CB 3.31Å; E238-W242 WeakPolarHBondContact O-CB 3.39Å; E238-W242 PolarHBondContact O-N 3.4Å; I239-W242 PolarHBondContact O-N 3.32Å; M240-W242 VanDerWaalsContact C-N 3.28Å; M240-W242 PolarHBondContact O-N 2.83Å; W242-L244 VanDerWaalsContact C-N 3.28Å; W242-L244 PolarHBondContact O-N 3.36Å; W242-G245 WeakPolarHBondContact O-CA 3.5Å; W242-G245 PolarHBondContact O-N 3.37Å; W242-L246 HydrophobicContact CD2-CD1 4.04Å; W242-L246 HydrophobicContact CD2-CG 4.22Å; W242-L246 HydrophobicContact CE3-CD1 3.75Å; W242-L246 HydrophobicContact CE3-CG 4.36Å; W242-L246 HydrophobicContact CH2-CD1 3.26Å; W242-L246 HydrophobicContact CH2-CG 4.27Å; W242-L246 HydrophobicContact CZ2-CD1 3.53Å; W242-L246 HydrophobicContact CZ2-CD2 4.25Å; W242-L246 HydrophobicContact CZ2-CG 4.08Å; W242-L246 HydrophobicContact CZ3-CD1 3.35Å; W242-L246 HydrophobicContact CZ3-CG 4.38Å; W242-L246 PolarHBondContact O-N 3.09Å
243Q71.1Confident67.1Low89 Ų8963.2 Ų63.242%0.41635%0.346SS..Hα-helixtrans-59.8-39.1175.5-75177.7-4.800112I239 M240 G245 L246 R247I239-Q243 HydrophobicContact CG2-CG 4.37Å; I239-Q243 WeakPolarHBondContact O-CB 3.47Å; I239-Q243 VanDerWaalsContact O-CG 3.28Å; I239-Q243 WeakPolarHBondContact O-CG 3.44Å; I239-Q243 PolarHBondContact O-N 3.4Å; M240-Q243 PolarHBondContact O-N 3.17Å; Q243-G245 VanDerWaalsContact C-N 3.33Å; Q243-L246 PolarHBondContact O-N 3.05Å; Q243-R247 VanDerWaalsContact O-CG 3.28Å; Q243-R247 WeakPolarHBondContact O-CG 3.45Å; Q243-R247 PolarHBondContact O-N 3.31Å; Q243-R247 VanDerWaalsContact O-N 3.09Å
244L68.5Low67.9Low2 Ų262.9 Ų62.91%0.0134%0.336CS..Hα-helixtrans-63.1-41.2173.5-70.6164.5000111.3R213 M240 W242 R247 G248 S249 T255 A258R213-L244 HydrophobicContact CB-CD1 4.44Å; R213-L244 HydrophobicContact CG-CB 4.34Å; R213-L244 HydrophobicContact CG-CD1 4.35Å; M240-L244 HydrophobicContact CG-CD1 4.18Å; M240-L244 WeakPolarHBondContact O-CD1 3.45Å; M240-L244 VanDerWaalsContact O-CG 3.27Å; M240-L244 WeakPolarHBondContact O-CG 3.37Å; M240-L244 PolarHBondContact O-N 2.88Å; W242-L244 VanDerWaalsContact C-N 3.28Å; W242-L244 PolarHBondContact O-N 3.36Å; L244-R247 PolarHBondContact O-N 2.87Å; L244-G248 PolarHBondContact O-N 2.97Å; L244-S249 WeakPolarHBondContact O-CB 3.48Å; L244-S249 PolarHBondContact O-N 3.36Å; L244-T255 HydrophobicContact CD1-CG2 3.4Å; L244-T255 VanDerWaalsContact CD1-CG2 3.4Å; L244-T255 HydrophobicContact CD2-CG2 4.26Å; L244-T255 HydrophobicContact CG-CG2 4.48Å; L244-A258 HydrophobicContact CD2-CB 3.59Å
245G72.8Confident68.2Low28 Ų2861.9 Ų61.929%0.28933%0.33SS..Hα-helixtrans-60.9-44.1173.900000113.5R213 H241 W242 Q243 R247 G248R213-G245 VanDerWaalsContact CZ-CA 3.44Å; H241-G245 PolarHBondContact O-N 3.34Å; H241-G245 VanDerWaalsContact O-N 3.1Å; W242-G245 WeakPolarHBondContact O-CA 3.5Å; W242-G245 PolarHBondContact O-N 3.37Å; Q243-G245 VanDerWaalsContact C-N 3.33Å; G245-R247 VanDerWaalsContact C-N 3.25Å; G245-R247 PolarHBondContact O-N 3.36Å; G245-G248 PolarHBondContact O-N 2.91Å; G245-G248 VanDerWaalsContact O-N 3.11Å
246L73Confident68.4Low106 Ų10665.1 Ų65.156%0.55535%0.345SS*.Hα-helixtrans-64-30.4175.8-73.5-174.5000113.4W242 Q243 G248W242-L246 HydrophobicContact CD2-CD1 4.04Å; W242-L246 HydrophobicContact CD2-CG 4.22Å; W242-L246 HydrophobicContact CE3-CD1 3.75Å; W242-L246 HydrophobicContact CE3-CG 4.36Å; W242-L246 HydrophobicContact CH2-CD1 3.26Å; W242-L246 HydrophobicContact CH2-CG 4.27Å; W242-L246 HydrophobicContact CZ2-CD1 3.53Å; W242-L246 HydrophobicContact CZ2-CD2 4.25Å; W242-L246 HydrophobicContact CZ2-CG 4.08Å; W242-L246 HydrophobicContact CZ3-CD1 3.35Å; W242-L246 HydrophobicContact CZ3-CG 4.38Å; W242-L246 PolarHBondContact O-N 3.09Å; Q243-L246 PolarHBondContact O-N 3.05Å; L246-G248 PolarHBondContact O-N 3.04Å
247R70.1Confident68.3Low104 Ų10468.3 Ų68.339%0.39235%0.353SS..THydrogen-bonded Turntrans-79.22.2176.5-69.5174.3-175.5-153.32.4113.4Q243 L244 G245 S249 A258 T259Q243-R247 VanDerWaalsContact O-CG 3.28Å; Q243-R247 WeakPolarHBondContact O-CG 3.45Å; Q243-R247 PolarHBondContact O-N 3.31Å; Q243-R247 VanDerWaalsContact O-N 3.09Å; L244-R247 PolarHBondContact O-N 2.87Å; G245-R247 VanDerWaalsContact C-N 3.25Å; G245-R247 PolarHBondContact O-N 3.36Å; R247-S249 VanDerWaalsContact C-N 3.29Å; R247-S249 PolarHBondContact O-N 2.82Å; R247-A258 PolarHBondContact NH1-O 3.47Å; R247-A258 VanDerWaalsContact NH1-O 3.12Å; R247-T259 VanDerWaalsContact NH1-CA 3.34Å; R247-T259 PolarHBondContact NH1-O 3.02Å; R247-T259 VanDerWaalsContact NH1-O 3.13Å
248G75.2Confident68Low58 Ų5868.3 Ų68.360%0.59835%0.353SS*.THydrogen-bonded Turntrans73.218.9-178.700000114.1L244 G245 L246 N250L244-G248 PolarHBondContact O-N 2.97Å; G245-G248 PolarHBondContact O-N 2.91Å; G245-G248 VanDerWaalsContact O-N 3.11Å; L246-G248 PolarHBondContact O-N 3.04Å; G248-N250 PolarHBondContact O-N 3.23Å
249S68.9Low67.7Low7 Ų769.4 Ų69.45%0.04936%0.363CS..  trans-67.6123.5177.3176.60000110.6R213 L244 R247 D253R213-S249 PolarHBondContact NH1-O 3.2Å; L244-S249 WeakPolarHBondContact O-CB 3.48Å; L244-S249 PolarHBondContact O-N 3.36Å; R247-S249 VanDerWaalsContact C-N 3.29Å; R247-S249 PolarHBondContact O-N 2.82Å; S249-D253 WeakPolarHBondContact OG-CB 3.44Å
250N74.3Confident67.1Low107 Ų10776.8 Ų76.857%0.57239%0.387SS*.  trans-67.1162.2170.9-72.3-41.2000110.9G248 D252 D253G248-N250 PolarHBondContact O-N 3.23Å; N250-D252 PolarHBondContact O-N 3.4Å; N250-D253 WeakPolarHBondContact CB-OD2 3.38Å; N250-D253 PolarHBondContact N-OD2 3.13Å; N250-D253 PolarHBondContact O-N 3.12Å
251W70.6Confident66.4Low120 Ų12080.1 Ų80.146%0.45541%0.406SS..THydrogen-bonded Turntrans-58.8-31.5-176.2-66.7101.9000113.9T212 R213 L214 L217 H241T212-W251 WeakPolarHBondContact CB-O 3.44Å; R213-W251 PolarHBondContact N-O 2.9Å; L214-W251 HydrophobicContact CB-CB 4.27Å; L214-W251 HydrophobicContact CB-CE3 4.3Å; L214-W251 WeakPolarHBondContact CB-O 3.03Å; L214-W251 HydrophobicContact CD1-CE3 4.01Å; L214-W251 HydrophobicContact CD1-CZ3 4.5Å; L214-W251 PolarHBondContact N-O 3.34Å; L217-W251 HydrophobicContact CD2-CZ3 3.98Å; H241-W251 AromaticContact CE1-CH2 3.99Å; H241-W251 AromaticContact CE1-CZ3 3.5Å; H241-W251 VanDerWaalsContact CE1-CZ3 3.5Å; H241-W251 WeakPolarHBondContact CE1-CZ3 3.43Å; H241-W251 AromaticContact NE2-CZ3 3.98Å
252D75.9Confident65.3Low121 Ų12180.8 Ų80.865%0.64742%0.42SS*.THydrogen-bonded Turntrans-99-2.2-177.2-58-44.3000113.6T212 N250T212-D252 VanDerWaalsContact CG2-O 3.25Å; T212-D252 WeakPolarHBondContact CG2-O 3.33Å; N250-D252 PolarHBondContact O-N 3.4Å
253D67.4Low63.6Low64 Ų6477.2 Ų77.234%0.34243%0.428SS..SBendtrans-71.3141.5-179.3-71.6-15.1000110.9T212 S249 N250 T255T212-D253 WeakPolarHBondContact CA-O 3.48Å; S249-D253 WeakPolarHBondContact OG-CB 3.44Å; N250-D253 WeakPolarHBondContact CB-OD2 3.38Å; N250-D253 PolarHBondContact N-OD2 3.13Å; N250-D253 PolarHBondContact O-N 3.12Å; D253-T255 PolarHBondContact O-N 3.1Å; D253-T255 VanDerWaalsContact O-N 3.11Å
254D68.9Low61.5Low52 Ų5278.7 Ų78.728%0.27845%0.448SS..BIsolated β-bridgetrans-66.9109.8174.9-164.2-20000110.6S211 L256 L257 A258S211-D254 WeakPolarHBondContact CA-OD1 3Å; S211-D254 VanDerWaalsContact CB-OD1 3.22Å; S211-D254 WeakPolarHBondContact CB-OD1 3.28Å; S211-D254 CarbonylContact O-C 3.57Å; S211-D254 WeakPolarHBondContact O-CA 3.31Å; D254-L256 PolarHBondContact O-N 3.09Å; D254-L256 VanDerWaalsContact O-N 3.15Å; D254-L256 WeakPolarHBondContact OD1-CB 3.43Å; D254-L256 PolarHBondContact OD1-N 3.38Å; D254-L257 HydrophobicContact CB-CB 4.22Å; D254-L257 HydrophobicContact CB-CD1 3.95Å; D254-L257 HydrophobicContact CB-CG 4.04Å; D254-L257 WeakPolarHBondContact O-CA 3.27Å; D254-L257 WeakPolarHBondContact O-CB 3.43Å; D254-L257 PolarHBondContact O-N 2.77Å; D254-A258 PolarHBondContact O-N 2.92Å
255T64Low59.7Low6 Ų684.9 Ų84.94%0.03748%0.48CS..Hα-helixtrans-47.4-32170.859.40000112.9V210 S211 R213 V216 L244 D253 T259V210-T255 PolarHBondContact O-OG1 3.44Å; S211-T255 WeakPolarHBondContact O-CA 3.47Å; S211-T255 VanDerWaalsContact O-CB 3.28Å; S211-T255 WeakPolarHBondContact O-CB 3.49Å; S211-T255 WeakPolarHBondContact O-CG2 3.47Å; S211-T255 PolarHBondContact O-N 3.14Å; S211-T255 PolarHBondContact O-OG1 3.06Å; R213-T255 HydrophobicContact CB-CG2 4.48Å; V216-T255 HydrophobicContact CG2-CG2 4.11Å; L244-T255 HydrophobicContact CD1-CG2 3.4Å; L244-T255 VanDerWaalsContact CD1-CG2 3.4Å; L244-T255 HydrophobicContact CD2-CG2 4.26Å; L244-T255 HydrophobicContact CG-CG2 4.48Å; D253-T255 PolarHBondContact O-N 3.1Å; D253-T255 VanDerWaalsContact O-N 3.11Å; T255-T259 WeakPolarHBondContact O-CB 3.31Å; T255-T259 WeakPolarHBondContact O-CG2 3.19Å; T255-T259 PolarHBondContact O-N 3.25Å; T255-T259 PolarHBondContact O-OG1 3.4Å
256L61.1Low57.6Low103 Ų10397.9 Ų97.954%0.53952%0.52SS..Hα-helixtrans-72.2-33.8174.7-65.5177.8000112.2D254 T259 R260D254-L256 PolarHBondContact O-N 3.09Å; D254-L256 VanDerWaalsContact O-N 3.15Å; D254-L256 WeakPolarHBondContact OD1-CB 3.43Å; D254-L256 PolarHBondContact OD1-N 3.38Å; L256-T259 WeakPolarHBondContact CA-OG1 3.28Å; L256-T259 PolarHBondContact O-OG1 3.36Å; L256-R260 WeakPolarHBondContact O-CB 3.5Å; L256-R260 PolarHBondContact O-N 3.37Å
257L57.9Low56.8Low103 Ų10397.5 Ų97.554%0.53952%0.519SS..Hα-helixtrans-78.3-39.5175.1-65.2175.5000111.2D254 T259 R260 N261D254-L257 HydrophobicContact CB-CB 4.22Å; D254-L257 HydrophobicContact CB-CD1 3.95Å; D254-L257 HydrophobicContact CB-CG 4.04Å; D254-L257 WeakPolarHBondContact O-CA 3.27Å; D254-L257 WeakPolarHBondContact O-CB 3.43Å; D254-L257 PolarHBondContact O-N 2.77Å; L257-T259 VanDerWaalsContact C-N 3.28Å; L257-T259 PolarHBondContact O-N 3.43Å; L257-R260 PolarHBondContact O-N 3.36Å; L257-N261 PolarHBondContact O-N 3.11Å
258A55.4Low56.1Low22 Ų2297.2 Ų97.218%0.18253%0.525CS..Hα-helixtrans-67.8-26.8177.200000112.9L244 R247 D254L244-A258 HydrophobicContact CD2-CB 3.59Å; R247-A258 PolarHBondContact NH1-O 3.47Å; R247-A258 VanDerWaalsContact NH1-O 3.12Å; D254-A258 PolarHBondContact O-N 2.92Å
259T57.4Low55.1Low68 Ų6899.3 Ų99.342%0.41752%0.521SS..Hα-helixtrans-78-30.7173.142.40000113.1R247 T255 L256 L257R247-T259 VanDerWaalsContact NH1-CA 3.34Å; R247-T259 PolarHBondContact NH1-O 3.02Å; R247-T259 VanDerWaalsContact NH1-O 3.13Å; T255-T259 WeakPolarHBondContact O-CB 3.31Å; T255-T259 WeakPolarHBondContact O-CG2 3.19Å; T255-T259 PolarHBondContact O-N 3.25Å; T255-T259 PolarHBondContact O-OG1 3.4Å; L256-T259 WeakPolarHBondContact CA-OG1 3.28Å; L256-T259 PolarHBondContact O-OG1 3.36Å; L257-T259 VanDerWaalsContact C-N 3.28Å; L257-T259 PolarHBondContact O-N 3.43Å
260R52.8Low54.3Low215 Ų215104.8 Ų104.881%0.81155%0.549SS*.Hα-helixtrans-89-22.7-172.4-157.6172.3179.8-178.8-0.9115.2L256 L257L256-R260 WeakPolarHBondContact O-CB 3.5Å; L256-R260 PolarHBondContact O-N 3.37Å; L257-R260 PolarHBondContact O-N 3.36Å
261N49.8Very low53Low137 Ų137104.6 Ų104.673%0.73355%0.547SS*.SBendtrans-105.88.9-172.5-73.4-20.2000116.2L257L257-N261 PolarHBondContact O-N 3.11Å
262G44.1Very low51.8Low41 Ų41103.6 Ų103.642%0.42355%0.554SS.*  trans-112.7104.1-171.600000114.1
263G36.3Very low50.1Low68 Ų68102.4 Ų102.470%0.70155%0.547SS*.  trans-61.9170.3179.400000116I265G263-I265 PolarHBondContact O-N 3.13Å; G263-I265 VanDerWaalsContact O-N 3.13Å
264S27.4Very low48.8Very low120 Ų120105.3 Ų105.384%0.83956%0.563SS**  trans-35.8112.4179-170.10000112.7R266S264-R266 PolarHBondContact O-N 3.28Å
265I31.2Very low47.1Very low132 Ų132109.8 Ų109.868%0.67759%0.586SS**  trans-65119.5160.7-59.8173.7000105.7G263G263-I265 PolarHBondContact O-N 3.13Å; G263-I265 VanDerWaalsContact O-N 3.13Å
266R28.2Very low45.6Very low302 Ų302119.2 Ų119.2100%1.1464%0.636SS**  trans-780162.2-89.8-172.3176.6-172.9-0.2109.3S264S264-R266 PolarHBondContact O-N 3.28Å

Retrieved 266 of 266 residues in 98.4 ms (Link to these results)

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