A0A087WVD1_HUMAN Loading...

Leukocyte receptor cluster member 9

AlphaFold DB , UniProt , Accession A0A087WVD1, Species HUMAN (Homo sapiens, Human), Gene LENG9, Length 478 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
1M45.1Very low41.8Very low249 Ų249161.3 Ų161.3100%1.22789%0.888SS**  0900-72.9-61.8-156.500109.2
2A40.7Very low41.8Very low108 Ų108163.8 Ų163.889%0.89389%0.889SS**  trans-151.5128.4166.200000105.6
3A39.7Very low42.1Very low106 Ų106158.2 Ų158.288%0.87688%0.878SS**  trans-92.3164.2-165.400000113.2
4A36.8Very low42.4Very low94 Ų94155.6 Ų155.678%0.77787%0.872SS**  trans-40.1136.4-174.400000116.5
5R40.7Very low42.4Very low244 Ų244151.9 Ų151.992%0.92187%0.869SS**  trans-109.3125.8139.5-97.8-178162.8-178.5-6.8107
6E43.7Very low42.7Very low182 Ų182151 Ų15185%0.8587%0.868SS**PPolyproline II helixtrans-75.6138.1171-64.4179.5112.600109.6
7P43.8Very low43.2Very low120 Ų120152.5 Ų152.578%0.77987%0.865SS**PPolyproline II helixtrans-87.1125.416832.6-29.5000110.3
8E40.1Very low43.7Very low193 Ų193150.9 Ų150.990%0.90286%0.861SS**PPolyproline II helixtrans-64.2142.6174.2-69.2170.889.100111.7
9L39.6Very low44.2Very low162 Ų162147.7 Ų147.785%0.84886%0.856SS**PPolyproline II helixtrans-74131.9174.1-76164.4000110.3Q11L9-Q11 PolarHBondContact O-N 3.31Å
10P44.8Very low45.1Very low122 Ų122146.2 Ų146.279%0.79285%0.851SS**PPolyproline II helixtrans-61.4126.6172.9-2233.4000111.3
11Q45Very low46Very low194 Ų194143.7 Ų143.791%0.90784%0.839SS**PPolyproline II helixtrans-72.4135.3173.9-61.2-176-72.200110.5L9L9-Q11 PolarHBondContact O-N 3.31Å
12E41.4Very low47.4Very low191 Ų191136.9 Ų136.989%0.89381%0.814SS**PPolyproline II helixtrans-70133.3177.5-64.3-179.311200111.3
13A45.8Very low49.4Very low91 Ų91133.4 Ų133.475%0.75279%0.785SS**PPolyproline II helixtrans-79.7139.2172.900000110.5A15A13-A15 PolarHBondContact O-N 2.75Å
14P46.8Very low51.3Low122 Ų122128.6 Ų128.679%0.79275%0.745SS**PPolyproline II helixtrans-65.3133.2179.627.1-34.3000111.2T16P14-T16 PolarHBondContact O-N 3.47Å
15A42.7Very low53.3Low100 Ų100132.2 Ų132.283%0.82674%0.738SS**PPolyproline II helixtrans-71.7119.8-179.400000111.5A13 E17A13-A15 PolarHBondContact O-N 2.75Å; A15-E17 PolarHBondContact O-N 3.34Å
16T47Very low55.1Low138 Ų138126.1 Ų126.185%0.84772%0.719SS**PPolyproline II helixtrans-65.2122172.1-520000110.6P14P14-T16 PolarHBondContact O-N 3.47Å
17E50.9Low56.9Low177 Ų177121 Ų12183%0.82769%0.694SS**PPolyproline II helixtrans-61.6137.7174.6-66.1-171.3121.900111.5A15 A19A15-E17 PolarHBondContact O-N 3.34Å; E17-A19 PolarHBondContact O-N 2.66Å
18P51.4Low58.5Low123 Ų123121 Ų12180%0.79969%0.687SS**PPolyproline II helixtrans-70.5126.8175.528.9-33.4000110.6
19A54.2Low60.4Low91 Ų91115.4 Ų115.475%0.75266%0.661SS**PPolyproline II helixtrans-56.8142.8179.800000112.3E17E17-A19 PolarHBondContact O-N 2.66Å
20P61Low62.2Low116 Ų116111 Ų11175%0.75366%0.655SS**PPolyproline II helixtrans-63.1148.9-175.625.4-34.9000112.4
21P65.2Low63.8Low95 Ų95114.3 Ų114.362%0.61765%0.651SS**PPolyproline II helixtrans-62.5136.8-175.924.8-34.1000111.7P41P21-P41 HydrophobicContact CG-CG 4.47Å
22P74.6Confident65.5Low105 Ų105106.2 Ų106.268%0.68262%0.616SS**PPolyproline II helixtrans-65.1145.4-17526.4-35000112.3Q40P22-Q40 PolarHBondContact O-OE1 3Å
23A81.6Confident67.1Low35 Ų35108.4 Ų108.429%0.28962%0.616SS.*PPolyproline II helixtrans-59.7153.2178.500000113R25 L28 P41 P43A23-R25 PolarHBondContact O-N 3.4Å; A23-L28 HydrophobicContact CB-CD1 4.28Å; A23-P41 WeakPolarHBondContact CA-O 3.47Å; A23-P43 HydrophobicContact CB-CG 3.72Å
24C80.2Confident68.1Low6 Ų6111 Ų1114%0.04161%0.611CS.*  trans-61108.9177-172.70000111F26 F27 L28 C38 Q40 P41C24-F26 PolarHBondContact O-N 2.85Å; C24-F27 HydrophobicContact CB-CB 3.84Å; C24-F27 WeakPolarHBondContact O-CA 3.33Å; C24-F27 WeakPolarHBondContact O-CB 3.5Å; C24-F27 PolarHBondContact O-N 3.18Å; C24-L28 PolarHBondContact O-N 3.22Å; C24-C38 PolarHBondContact SG-SG 3Å; C24-Q40 HydrophobicContact CB-CB 3.61Å; C24-P41 PolarHBondContact N-O 2.81Å
25R79.6Confident69.3Low169 Ų169106.9 Ų106.964%0.63859%0.59SS**Hα-helixtrans-53.4-42.2179.9-143.7-170.579.2-1715.3112.3A23 F27 L28 E29A23-R25 PolarHBondContact O-N 3.4Å; R25-F27 VanDerWaalsContact C-N 3.25Å; R25-F27 PolarHBondContact O-N 2.76Å; R25-L28 PolarHBondContact O-N 3.25Å; R25-E29 IonicContact CZ-OE1 3.21Å; R25-E29 IonicContact NE-OE1 2.71Å; R25-E29 PolarHBondContact NE-OE1 2.84Å; R25-E29 IonicContact NH2-OE1 2.82Å; R25-E29 PolarHBondContact NH2-OE1 3.5Å; R25-E29 WeakPolarHBondContact O-CG 3.42Å; R25-E29 PolarHBondContact O-N 3.17Å
26F78.4Confident70.4Confident117 Ų117106.1 Ų106.151%0.51358%0.584SS.*Hα-helixtrans-66.9-20.8177.3-57.5-68.4000114.2C24 G30 R31 C32C24-F26 PolarHBondContact O-N 2.85Å; F26-G30 PolarHBondContact O-N 3.44Å; F26-R31 CarbonylContact O-C 3.43Å; F26-R31 WeakPolarHBondContact O-CA 3.34Å; F26-R31 PolarHBondContact O-N 3.21Å; F26-C32 HydrophobicContact CB-CB 4.25Å; F26-C32 PolarHBondContact O-N 3.42Å
27F79.8Confident71.2Confident74 Ų74110.4 Ų110.433%0.32558%0.584SS.*Hα-helixtrans-78.7-42.9172.9177.1-107.8000111C24 R25 E29 G30 C32 H42C24-F27 HydrophobicContact CB-CB 3.84Å; C24-F27 WeakPolarHBondContact O-CA 3.33Å; C24-F27 WeakPolarHBondContact O-CB 3.5Å; C24-F27 PolarHBondContact O-N 3.18Å; R25-F27 VanDerWaalsContact C-N 3.25Å; R25-F27 PolarHBondContact O-N 2.76Å; F27-E29 PolarHBondContact O-N 3.49Å; F27-G30 PolarHBondContact O-N 2.82Å; F27-C32 HydrophobicContact CB-CB 4.02Å; F27-H42 HydrophobicContact CD1-CB 3.75Å; F27-H42 AromaticContact CD1-CG 3.77Å; F27-H42 HydrophobicContact CD2-CB 4.24Å; F27-H42 AromaticContact CD2-CE1 3.54Å; F27-H42 AromaticContact CD2-CG 3.64Å; F27-H42 AromaticContact CD2-ND1 3.26Å; F27-H42 VanDerWaalsContact CD2-ND1 3.26Å; F27-H42 WeakPolarHBondContact CD2-ND1 3.29Å; F27-H42 HydrophobicContact CE1-CB 3.7Å; F27-H42 HydrophobicContact CE2-CB 4.18Å; F27-H42 AromaticContact CE2-CG 4Å; F27-H42 AromaticContact CE2-ND1 3.59Å; F27-H42 HydrophobicContact CG-CB 4.02Å; F27-H42 AromaticContact CG-CD2 3.67Å; F27-H42 AromaticContact CG-CE1 3.86Å; F27-H42 AromaticContact CG-CG 3.51Å; F27-H42 AromaticContact CG-ND1 3.64Å; F27-H42 AromaticContact CG-NE2 3.88Å; F27-H42 HydrophobicContact CZ-CB 3.92Å
28L78.7Confident72.4Confident121 Ų121103.5 Ų103.563%0.63456%0.555SS**Hα-helixtrans-61.1-35.1172.2-55.5177.7000111.7A23 C24 R25 G30A23-L28 HydrophobicContact CB-CD1 4.28Å; C24-L28 PolarHBondContact O-N 3.22Å; R25-L28 PolarHBondContact O-N 3.25Å; L28-G30 PolarHBondContact O-N 3.18Å
29E79.7Confident73.4Confident74 Ų74109.3 Ų109.335%0.34656%0.561SS.*THydrogen-bonded Turntrans-75.9-0.9172.2-67.8171-156.900114.3R25 F27 R31R25-E29 IonicContact CZ-OE1 3.21Å; R25-E29 IonicContact NE-OE1 2.71Å; R25-E29 PolarHBondContact NE-OE1 2.84Å; R25-E29 IonicContact NH2-OE1 2.82Å; R25-E29 PolarHBondContact NH2-OE1 3.5Å; R25-E29 WeakPolarHBondContact O-CG 3.42Å; R25-E29 PolarHBondContact O-N 3.17Å; F27-E29 PolarHBondContact O-N 3.49Å; E29-R31 VanDerWaalsContact C-N 3.26Å; E29-R31 WeakPolarHBondContact O-CG 3.35Å; E29-R31 PolarHBondContact O-N 3.41Å
30G77.2Confident74.4Confident70 Ų70109.6 Ų109.672%0.72255%0.547SS*.THydrogen-bonded Turntrans69.513.8-178.900000115.7F26 F27 L28F26-G30 PolarHBondContact O-N 3.44Å; F27-G30 PolarHBondContact O-N 2.82Å; L28-G30 PolarHBondContact O-N 3.18Å
31R78.4Confident75Confident191 Ų191106.8 Ų106.872%0.72153%0.529SS*.  trans-115.35.3-168.5-70.1167.9-175.2-153.6-2.6114.4F26 E29 R33F26-R31 CarbonylContact O-C 3.43Å; F26-R31 WeakPolarHBondContact O-CA 3.34Å; F26-R31 PolarHBondContact O-N 3.21Å; E29-R31 VanDerWaalsContact C-N 3.26Å; E29-R31 WeakPolarHBondContact O-CG 3.35Å; E29-R31 PolarHBondContact O-N 3.41Å; R31-R33 PolarHBondContact O-N 3.38Å
32C80Confident75.6Confident24 Ų24103.8 Ų103.816%0.16251%0.506CS..  trans-7195.4-174.5-172.60000113F26 F27 F34 G35 C38 H42F26-C32 HydrophobicContact CB-CB 4.25Å; F26-C32 PolarHBondContact O-N 3.42Å; F27-C32 HydrophobicContact CB-CB 4.02Å; C32-F34 PolarHBondContact O-N 2.78Å; C32-G35 PolarHBondContact O-N 3.43Å; C32-C38 VanDerWaalsContact SG-SG 3.68Å; C32-H42 VanDerWaalsContact SG-CE1 3.55Å; C32-H42 PolarHBondContact SG-NE2 2.98Å; C32-H42 VanDerWaalsContact SG-NE2 3.43Å
33R76.3Confident75.4Confident238 Ų238102.5 Ų102.590%0.89850%0.498SS*.THydrogen-bonded Turntrans-60.3-8177.3-62.3-175.169.2-177.22.5115.5R31R31-R33 PolarHBondContact O-N 3.38Å
34F67Low74.7Confident146 Ų146105 Ų10564%0.6453%0.527SS*.THydrogen-bonded Turntrans-100.5-13.9-174.7-60.7-71.6000114.5C32 A36 R37 C38C32-F34 PolarHBondContact O-N 2.78Å; F34-A36 PolarHBondContact O-N 2.71Å; F34-R37 WeakPolarHBondContact O-CA 3.29Å; F34-R37 WeakPolarHBondContact O-CB 3.2Å; F34-R37 PolarHBondContact O-N 2.95Å; F34-C38 HydrophobicContact CB-CB 4.02Å
35G70.9Confident73.8Confident34 Ų34107 Ų10735%0.35155%0.545SS..G310 helixtrans49.1-135178.800000113.2C32 R37 C38 H42C32-G35 PolarHBondContact O-N 3.43Å; G35-R37 PolarHBondContact O-N 3.04Å; G35-C38 WeakPolarHBondContact O-CB 3.43Å; G35-C38 PolarHBondContact O-N 2.98Å; G35-C38 VanDerWaalsContact O-N 3.08Å; G35-H42 PolarHBondContact O-CE1 2.81Å
36A65.7Low72.8Confident85 Ų85104.7 Ų104.770%0.70255%0.551SS**G310 helixtrans-65.6-0.7176.700000115.2F34F34-A36 PolarHBondContact O-N 2.71Å
37R64.9Low71.6Confident227 Ų227103.3 Ų103.386%0.85756%0.562SS**G310 helixtrans-102.37.2173-59.1179.166.7-167.71.8113F34 G35F34-R37 WeakPolarHBondContact O-CA 3.29Å; F34-R37 WeakPolarHBondContact O-CB 3.2Å; F34-R37 PolarHBondContact O-N 2.95Å; G35-R37 PolarHBondContact O-N 3.04Å
38C74.8Confident70.4Confident33 Ų33103.9 Ų103.922%0.22357%0.572CS.*  trans-65149175.4-163.30000111.3C24 C32 F34 G35 H42C24-C38 PolarHBondContact SG-SG 3Å; C32-C38 VanDerWaalsContact SG-SG 3.68Å; F34-C38 HydrophobicContact CB-CB 4.02Å; G35-C38 WeakPolarHBondContact O-CB 3.43Å; G35-C38 PolarHBondContact O-N 2.98Å; G35-C38 VanDerWaalsContact O-N 3.08Å; C38-H42 WeakPolarHBondContact CB-NE2 3.19Å
39R73Confident68.9Low245 Ų245104.1 Ų104.193%0.92558%0.582SS**SBendtrans-87.2-4.1177.5-67.4-174.8-180177.2-0.3113.9
40Q74.8Confident67.1Low96 Ų96104 Ų10445%0.44960%0.599SS.*SBendtrans-119140.9-179.2-68.3-66.1-10.300108.5P22 C24 H42P22-Q40 PolarHBondContact O-OE1 3Å; C24-Q40 HydrophobicContact CB-CB 3.61Å; Q40-H42 PolarHBondContact O-CD2 3.26Å; Q40-H42 VanDerWaalsContact O-CD2 3.26Å
41P75.2Confident65.2Low58 Ų58111.7 Ų111.738%0.37761%0.607SS.*  trans-64.8145.6-170.322-29.6000112.9P21 A23 C24P21-P41 HydrophobicContact CG-CG 4.47Å; A23-P41 WeakPolarHBondContact CA-O 3.47Å; C24-P41 PolarHBondContact N-O 2.81Å
42H76.3Confident63.1Low31 Ų31111.2 Ų111.214%0.14461%0.613CS.*  trans-115100.5178.8-73.3-167.7000108.9F27 C32 G35 C38 Q40 G44 A45F27-H42 HydrophobicContact CD1-CB 3.75Å; F27-H42 AromaticContact CD1-CG 3.77Å; F27-H42 HydrophobicContact CD2-CB 4.24Å; F27-H42 AromaticContact CD2-CE1 3.54Å; F27-H42 AromaticContact CD2-CG 3.64Å; F27-H42 AromaticContact CD2-ND1 3.26Å; F27-H42 VanDerWaalsContact CD2-ND1 3.26Å; F27-H42 WeakPolarHBondContact CD2-ND1 3.29Å; F27-H42 HydrophobicContact CE1-CB 3.7Å; F27-H42 HydrophobicContact CE2-CB 4.18Å; F27-H42 AromaticContact CE2-CG 4Å; F27-H42 AromaticContact CE2-ND1 3.59Å; F27-H42 HydrophobicContact CG-CB 4.02Å; F27-H42 AromaticContact CG-CD2 3.67Å; F27-H42 AromaticContact CG-CE1 3.86Å; F27-H42 AromaticContact CG-CG 3.51Å; F27-H42 AromaticContact CG-ND1 3.64Å; F27-H42 AromaticContact CG-NE2 3.88Å; F27-H42 HydrophobicContact CZ-CB 3.92Å; C32-H42 VanDerWaalsContact SG-CE1 3.55Å; C32-H42 PolarHBondContact SG-NE2 2.98Å; C32-H42 VanDerWaalsContact SG-NE2 3.43Å; G35-H42 PolarHBondContact O-CE1 2.81Å; C38-H42 WeakPolarHBondContact CB-NE2 3.19Å; Q40-H42 PolarHBondContact O-CD2 3.26Å; Q40-H42 VanDerWaalsContact O-CD2 3.26Å; H42-G44 PolarHBondContact O-N 3.44Å; H42-A45 HydrophobicContact CB-CB 4.04Å; H42-A45 PolarHBondContact O-N 3.06Å
43P71.6Confident61Low79 Ų79114.7 Ų114.751%0.51364%0.643SS.*THydrogen-bonded Turntrans-59.8137.1179.9-24.134.6000112A23 A45A23-P43 HydrophobicContact CB-CG 3.72Å; P43-A45 PolarHBondContact O-N 3.49Å
44G65.7Low59Low87 Ų87111.1 Ų111.190%0.89764%0.637SS**THydrogen-bonded Turntrans75.4-3.3176.900000116.2H42H42-G44 PolarHBondContact O-N 3.44Å
45A62.4Low57.6Low49 Ų49109.9 Ų109.941%0.40564%0.644SS.*SBendtrans-74.3139.4168.500000110.1H42 P43 A47H42-A45 HydrophobicContact CB-CB 4.04Å; H42-A45 PolarHBondContact O-N 3.06Å; P43-A45 PolarHBondContact O-N 3.49Å; A45-A47 PolarHBondContact O-N 3.23Å
46P57.8Low56Low120 Ų120116.8 Ų116.878%0.77967%0.667SS**PPolyproline II helixtrans-59.9137.6170.626.5-33.6000109.3
47A54.4Low54.7Low88 Ų88117.1 Ų117.173%0.72767%0.669SS**PPolyproline II helixtrans-56.2138.5177.800000109.8A45A45-A47 PolarHBondContact O-N 3.23Å
48P54.3Low53.3Low85 Ų85109.4 Ų109.455%0.55266%0.66SS**PPolyproline II helixtrans-58.1142.3175.626.1-33.9000109.1G50P48-G50 PolarHBondContact O-N 3.45Å
49P46.9Very low51.9Low127 Ų127112.1 Ų112.183%0.82569%0.685SS**PPolyproline II helixtrans-52.2132.6174.823.3-33.4000108.5R51P49-R51 PolarHBondContact O-N 3.01Å
50G41.8Very low50.6Low70 Ų70110.1 Ų110.172%0.72268%0.683SS**PPolyproline II helixtrans-51.4133.1-166.500000111.1P48 E52P48-G50 PolarHBondContact O-N 3.45Å; G50-E52 PolarHBondContact O-N 2.97Å
51R38Very low49.5Very low232 Ų232112.7 Ų112.788%0.87569%0.693SS**PPolyproline II helixtrans-58.3118.2165.5-70.2-178.4-178.7169.82.9106.7P49 A53P49-R51 PolarHBondContact O-N 3.01Å; R51-A53 PolarHBondContact O-N 3.08Å
52E33.9Very low48.6Very low181 Ų181114 Ų11485%0.84670%0.702SS**PPolyproline II helixtrans-46.1135.6159-64.3178.8155.300107.7G50 Q54G50-E52 PolarHBondContact O-N 2.97Å; E52-Q54 VanDerWaalsContact C-N 3.35Å; E52-Q54 PolarHBondContact O-N 3.09Å
53A35.2Very low47.8Very low97 Ų97118.5 Ų118.580%0.80273%0.733SS**  trans-64.394-167.900000110.9R51R51-A53 PolarHBondContact O-N 3.08Å
54Q35.3Very low47.5Very low164 Ų164116.5 Ų116.577%0.76672%0.718SS**  trans-53.4125.5152.4-68.1-161.1-45.300105.7E52 E56E52-Q54 VanDerWaalsContact C-N 3.35Å; E52-Q54 PolarHBondContact O-N 3.09Å; Q54-E56 PolarHBondContact O-N 2.88Å
55P37.1Very low47.9Very low120 Ų120118 Ų11878%0.77970%0.697SS**  trans-56.2137.4-170.220.1-32.1000110.2
56E36.3Very low48.8Very low179 Ų179119.1 Ų119.184%0.83670%0.699SS**  trans-38.3143.9170.1-92.8-58.5142.700111.2Q54 G58Q54-E56 PolarHBondContact O-N 2.88Å; E56-G58 PolarHBondContact O-N 2.85Å
57A39Very low49.8Very low92 Ų92113.9 Ų113.976%0.7667%0.665SS**  trans-6672.4-158.100000114.1A59A57-A59 PolarHBondContact O-N 3.32Å; A57-A59 VanDerWaalsContact O-N 3.11Å
58G35.8Very low50.9Low64 Ų64110.7 Ų110.766%0.6664%0.639SS**  trans-53118.4-177.300000109.3E56 K60E56-G58 PolarHBondContact O-N 2.85Å; G58-K60 PolarHBondContact O-N 3.37Å
59A44.2Very low52.2Low91 Ų91108.5 Ų108.575%0.75262%0.622SS**  trans-39114.2-16500000110.8A57 K61A57-A59 PolarHBondContact O-N 3.32Å; A57-A59 VanDerWaalsContact O-N 3.11Å; A59-K61 PolarHBondContact O-N 2.93Å
60K45.6Very low53.8Low202 Ų202102.4 Ų102.488%0.87858%0.583SS**  trans-53.497.7-168-74.1179.7179.7172.50109.8G58G58-K60 PolarHBondContact O-N 3.37Å
61K52.8Low55.7Low151 Ų15199.5 Ų99.566%0.65755%0.551SS**PPolyproline II helixtrans-49.4125.5-178.1-68-175.5178.4-177.70107.6A59 R141A59-K61 PolarHBondContact O-N 2.93Å; K61-R141 PolarHBondContact O-NH2 2.86Å
62P55.8Low57.7Low86 Ų8693.8 Ų93.856%0.55853%0.534SS*.PPolyproline II helixtrans-50.9146-164.515.5-29.9000111.5L64 R141P62-L64 PolarHBondContact O-N 3.39Å; P62-L64 VanDerWaalsContact O-N 3.12Å; P62-R141 PolarHBondContact O-NH2 2.92Å
63P60.3Low59.8Low124 Ų12489.4 Ų89.481%0.80551%0.509SS*.PPolyproline II helixtrans-56.9123.717924.8-33.2000108.4
64L65.2Low62Low37 Ų3784.8 Ų84.819%0.19447%0.471CS..PPolyproline II helixtrans-60.2146.1177.8-66.9171.8000109.5P62 T66 R141 D143P62-L64 PolarHBondContact O-N 3.39Å; P62-L64 VanDerWaalsContact O-N 3.12Å; L64-T66 PolarHBondContact O-N 2.92Å; L64-R141 HydrophobicContact CD1-CB 3.76Å; L64-R141 HydrophobicContact CD1-CG 3.76Å; L64-R141 WeakPolarHBondContact CD2-O 3.39Å; L64-D143 HydrophobicContact CD2-CB 4.45Å
65R73.6Confident63.7Low120 Ų12078.5 Ų78.545%0.45344%0.441SS..PPolyproline II helixtrans-57.8132.9167-68.7-69.7174.5177.3-2.4108.9D69 W136 F146R65-D69 HydrophobicContact CB-CB 3.93Å; R65-D69 WeakPolarHBondContact CD-OD1 3.43Å; R65-D69 IonicContact NH1-OD1 3.25Å; R65-D69 PolarHBondContact NH1-OD1 3.36Å; R65-W136 WeakPolarHBondContact O-CZ2 3.13Å; R65-W136 PolarHBondContact O-NE1 3.09Å; R65-F146 HydrophobicContact CB-CD2 3.64Å; R65-F146 HydrophobicContact CB-CE2 3.74Å; R65-F146 HydrophobicContact CB-CG 4.45Å; R65-F146 HydrophobicContact CG-CB 4.27Å; R65-F146 HydrophobicContact CG-CD1 4.5Å; R65-F146 HydrophobicContact CG-CD2 3.59Å; R65-F146 HydrophobicContact CG-CE2 3.91Å; R65-F146 HydrophobicContact CG-CG 3.9Å; R65-F146 HydrophobicContact CG-CZ 4.48Å
66T80.8Confident65.1Low72 Ų7277.5 Ų77.544%0.44242%0.422SS..PPolyproline II helixtrans-72.5165-175.469.20000110.4L64 A68 D69 V70L64-T66 PolarHBondContact O-N 2.92Å; T66-A68 PolarHBondContact O-N 3.14Å; T66-A68 VanDerWaalsContact O-N 3.16Å; T66-A68 PolarHBondContact OG1-N 3Å; T66-D69 WeakPolarHBondContact CA-OD2 3.37Å; T66-D69 VanDerWaalsContact CB-OD2 3.31Å; T66-D69 WeakPolarHBondContact CB-OD2 3.31Å; T66-D69 PolarHBondContact N-OD2 2.85Å; T66-D69 WeakPolarHBondContact O-CB 3.47Å; T66-D69 PolarHBondContact O-N 3.44Å; T66-D69 VanDerWaalsContact O-N 3.11Å; T66-D69 PolarHBondContact OG1-N 2.74Å; T66-D69 PolarHBondContact OG1-OD2 2.71Å; T66-V70 PolarHBondContact O-N 3.29Å; T66-V70 VanDerWaalsContact O-N 3.14Å
67A80.1Confident66.7Low9 Ų969.2 Ų69.27%0.07438%0.383CS..Hα-helixtrans-55.4-32.2170.600000111.8V70 I71 V125 F128 W136A67-V70 PolarHBondContact O-N 3.04Å; A67-I71 WeakPolarHBondContact O-CB 3.47Å; A67-I71 VanDerWaalsContact O-CD1 3.26Å; A67-I71 WeakPolarHBondContact O-CD1 3.32Å; A67-I71 WeakPolarHBondContact O-CG1 3.27Å; A67-I71 PolarHBondContact O-N 2.88Å; A67-V125 HydrophobicContact CB-CB 3.99Å; A67-V125 HydrophobicContact CB-CG1 4.14Å; A67-F128 HydrophobicContact CB-CE2 4.16Å; A67-F128 HydrophobicContact CB-CZ 4.49Å; A67-W136 HydrophobicContact CB-CH2 3.83Å; A67-W136 HydrophobicContact CB-CZ2 4.4Å; A67-W136 HydrophobicContact CB-CZ3 4.24Å
68A77.4Confident67.5Low21 Ų2167.6 Ų67.617%0.17437%0.365CS..Hα-helixtrans-66.9-43.4176.100000112.7T66 V70 I71 Q72T66-A68 PolarHBondContact O-N 3.14Å; T66-A68 VanDerWaalsContact O-N 3.16Å; T66-A68 PolarHBondContact OG1-N 3Å; A68-V70 VanDerWaalsContact C-N 3.27Å; A68-V70 PolarHBondContact O-N 3.25Å; A68-I71 PolarHBondContact O-N 3.17Å; A68-Q72 WeakPolarHBondContact O-CB 3.15Å; A68-Q72 WeakPolarHBondContact O-CG 3.32Å; A68-Q72 PolarHBondContact O-N 3.19Å
69D80.1Confident68.7Low39 Ų3970.9 Ų70.921%0.20936%0.357CS..Hα-helixtrans-57.9-41.9173.5-63.5-96.5000110.6R65 T66 Q72 R73 F146R65-D69 HydrophobicContact CB-CB 3.93Å; R65-D69 WeakPolarHBondContact CD-OD1 3.43Å; R65-D69 IonicContact NH1-OD1 3.25Å; R65-D69 PolarHBondContact NH1-OD1 3.36Å; T66-D69 WeakPolarHBondContact CA-OD2 3.37Å; T66-D69 VanDerWaalsContact CB-OD2 3.31Å; T66-D69 WeakPolarHBondContact CB-OD2 3.31Å; T66-D69 PolarHBondContact N-OD2 2.85Å; T66-D69 WeakPolarHBondContact O-CB 3.47Å; T66-D69 PolarHBondContact O-N 3.44Å; T66-D69 VanDerWaalsContact O-N 3.11Å; T66-D69 PolarHBondContact OG1-N 2.74Å; T66-D69 PolarHBondContact OG1-OD2 2.71Å; D69-Q72 PolarHBondContact O-N 3.42Å; D69-R73 WeakPolarHBondContact O-CB 3.43Å; D69-R73 PolarHBondContact O-N 2.85Å; D69-F146 HydrophobicContact CB-CE2 4.08Å; D69-F146 HydrophobicContact CB-CZ 4.06Å
70V82.2Confident70.1Confident0 Ų066.8 Ų66.80%032%0.322CS..Hα-helixtrans-68.2-45.3179.1175.90000111.9T66 A67 A68 Q72 R73 I74 F128 W136 V145 F146T66-V70 PolarHBondContact O-N 3.29Å; T66-V70 VanDerWaalsContact O-N 3.14Å; A67-V70 PolarHBondContact O-N 3.04Å; A68-V70 VanDerWaalsContact C-N 3.27Å; A68-V70 PolarHBondContact O-N 3.25Å; V70-Q72 VanDerWaalsContact C-N 3.3Å; V70-Q72 PolarHBondContact O-N 2.76Å; V70-R73 PolarHBondContact O-N 3.18Å; V70-R73 VanDerWaalsContact O-N 3.08Å; V70-I74 HydrophobicContact CG1-CD1 3.75Å; V70-I74 HydrophobicContact CG1-CG1 4.4Å; V70-I74 WeakPolarHBondContact O-CG1 3.24Å; V70-I74 PolarHBondContact O-N 2.99Å; V70-F128 HydrophobicContact CB-CD2 4.19Å; V70-F128 HydrophobicContact CB-CE2 3.93Å; V70-F128 HydrophobicContact CB-CZ 4.4Å; V70-F128 HydrophobicContact CG1-CB 4.49Å; V70-F128 HydrophobicContact CG1-CD1 4.17Å; V70-F128 HydrophobicContact CG1-CD2 3.5Å; V70-F128 HydrophobicContact CG1-CE1 4.3Å; V70-F128 HydrophobicContact CG1-CE2 3.65Å; V70-F128 HydrophobicContact CG1-CG 3.79Å; V70-F128 HydrophobicContact CG1-CZ 4.07Å; V70-W136 HydrophobicContact CG2-CB 4.4Å; V70-W136 HydrophobicContact CG2-CD2 4.21Å; V70-W136 HydrophobicContact CG2-CG 3.83Å; V70-V145 HydrophobicContact CG1-CG1 4.36Å; V70-V145 HydrophobicContact CG1-CG2 3.93Å; V70-V145 HydrophobicContact CG2-CB 4.41Å; V70-V145 HydrophobicContact CG2-CG1 4.42Å; V70-V145 HydrophobicContact CG2-CG2 4.26Å; V70-F146 HydrophobicContact CG2-CE2 4Å
71I81Confident71.3Confident8 Ų858.1 Ų58.14%0.04129%0.286CS..Hα-helixtrans-57.8-44.8175.1-69.9156.4000110.4A67 A68 R75 F101 W106 Q122 F128A67-I71 WeakPolarHBondContact O-CB 3.47Å; A67-I71 VanDerWaalsContact O-CD1 3.26Å; A67-I71 WeakPolarHBondContact O-CD1 3.32Å; A67-I71 WeakPolarHBondContact O-CG1 3.27Å; A67-I71 PolarHBondContact O-N 2.88Å; A68-I71 PolarHBondContact O-N 3.17Å; I71-R75 WeakPolarHBondContact O-CB 3.36Å; I71-R75 WeakPolarHBondContact O-CD 3.39Å; I71-R75 VanDerWaalsContact O-CG 3.23Å; I71-R75 WeakPolarHBondContact O-CG 3.48Å; I71-R75 PolarHBondContact O-N 3.29Å; I71-R75 VanDerWaalsContact O-N 3.08Å; I71-F101 HydrophobicContact CB-CE2 4.5Å; I71-F101 HydrophobicContact CG1-CE2 4.24Å; I71-F101 HydrophobicContact CG2-CE2 4.47Å; I71-F101 HydrophobicContact CG2-CZ 4.11Å; I71-W106 HydrophobicContact CD1-CD2 4.42Å; I71-W106 HydrophobicContact CD1-CE3 3.63Å; I71-W106 HydrophobicContact CD1-CH2 3.96Å; I71-W106 HydrophobicContact CD1-CZ3 3.37Å; I71-W106 HydrophobicContact CG1-CD2 4.39Å; I71-W106 HydrophobicContact CG1-CE3 4.08Å; I71-W106 HydrophobicContact CG1-CH2 4.3Å; I71-W106 HydrophobicContact CG1-CZ3 4.04Å; I71-W106 HydrophobicContact CG2-CB 4.12Å; I71-W106 HydrophobicContact CG2-CD2 3.82Å; I71-W106 HydrophobicContact CG2-CE3 3.91Å; I71-W106 HydrophobicContact CG2-CG 3.93Å; I71-Q122 HydrophobicContact CD1-CG 4.26Å; I71-F128 HydrophobicContact CD1-CZ 4.17Å; I71-F128 HydrophobicContact CG1-CE1 3.99Å; I71-F128 HydrophobicContact CG1-CZ 3.63Å
72Q79.4Confident72.3Confident112 Ų11252.3 Ų52.352%0.52326%0.264SS..Hα-helixtrans-62.5-43.1174.5-72.1177.73.400111.4A68 D69 V70 I74 R75 W76A68-Q72 WeakPolarHBondContact O-CB 3.15Å; A68-Q72 WeakPolarHBondContact O-CG 3.32Å; A68-Q72 PolarHBondContact O-N 3.19Å; D69-Q72 PolarHBondContact O-N 3.42Å; V70-Q72 VanDerWaalsContact C-N 3.3Å; V70-Q72 PolarHBondContact O-N 2.76Å; Q72-I74 PolarHBondContact O-N 3.49Å; Q72-R75 PolarHBondContact O-N 2.6Å; Q72-W76 WeakPolarHBondContact O-CB 3.44Å; Q72-W76 PolarHBondContact O-N 2.82Å
73R78.4Confident73.1Confident89 Ų8950.6 Ų50.634%0.33626%0.257SS..Hα-helixtrans-63.4-42.9-179.8-168.356.4171158.8-4.1112.7D69 V70 R75 W76 D77 R79 L80 V145 F146D69-R73 WeakPolarHBondContact O-CB 3.43Å; D69-R73 PolarHBondContact O-N 2.85Å; V70-R73 PolarHBondContact O-N 3.18Å; V70-R73 VanDerWaalsContact O-N 3.08Å; R73-R75 VanDerWaalsContact C-N 3.34Å; R73-W76 PolarHBondContact O-N 2.87Å; R73-D77 IonicContact CZ-OD2 3.53Å; R73-D77 IonicContact NE-OD2 3.73Å; R73-D77 PolarHBondContact NE-OD2 2.65Å; R73-D77 IonicContact NH1-OD2 3.49Å; R73-D77 PolarHBondContact NH1-OD2 2.87Å; R73-D77 IonicContact NH2-OD2 2.72Å; R73-D77 PolarHBondContact NH2-OD2 3.35Å; R73-D77 VanDerWaalsContact O-CB 3.24Å; R73-D77 WeakPolarHBondContact O-CB 3.2Å; R73-D77 PolarHBondContact O-N 2.84Å; R73-R79 VanDerWaalsContact NH2-NH2 3.14Å; R73-L80 HydrophobicContact CG-CD1 4.33Å; R73-V145 HydrophobicContact CB-CG1 4.06Å; R73-V145 HydrophobicContact CG-CG1 3.84Å; R73-F146 HydrophobicContact CB-CE1 4.22Å; R73-F146 HydrophobicContact CB-CE2 4.32Å; R73-F146 HydrophobicContact CB-CZ 3.68Å; R73-F146 HydrophobicContact CG-CE1 4.06Å; R73-F146 HydrophobicContact CG-CZ 3.98Å
74I80.6Confident73.9Confident0 Ų046.2 Ų46.20%023%0.226CC..Hα-helixtrans-65.1-38.3176.9-65.1165.4000111.1V70 Q72 P82 F85 F101 F128V70-I74 HydrophobicContact CG1-CD1 3.75Å; V70-I74 HydrophobicContact CG1-CG1 4.4Å; V70-I74 WeakPolarHBondContact O-CG1 3.24Å; V70-I74 PolarHBondContact O-N 2.99Å; Q72-I74 PolarHBondContact O-N 3.49Å; I74-P82 HydrophobicContact CG2-CB 4.26Å; I74-P82 HydrophobicContact CG2-CG 4.38Å; I74-F85 HydrophobicContact CD1-CD1 3.52Å; I74-F85 HydrophobicContact CD1-CD2 4.49Å; I74-F85 HydrophobicContact CD1-CE1 3.73Å; I74-F85 HydrophobicContact CD1-CG 3.93Å; I74-F85 HydrophobicContact CD1-CZ 4.33Å; I74-F85 HydrophobicContact CG1-CD1 3.96Å; I74-F85 HydrophobicContact CG1-CD2 4.32Å; I74-F85 HydrophobicContact CG1-CE1 3.74Å; I74-F85 HydrophobicContact CG1-CE2 4.14Å; I74-F85 HydrophobicContact CG1-CG 4.25Å; I74-F85 HydrophobicContact CG1-CZ 3.85Å; I74-F85 HydrophobicContact CG2-CD2 3.65Å; I74-F85 HydrophobicContact CG2-CE2 3.92Å; I74-F85 HydrophobicContact CG2-CG 4.02Å; I74-F85 HydrophobicContact CG2-CZ 4.49Å; I74-F101 HydrophobicContact CB-CE1 4.42Å; I74-F101 HydrophobicContact CB-CE2 3.96Å; I74-F101 HydrophobicContact CB-CZ 3.85Å; I74-F101 HydrophobicContact CD1-CD2 4.02Å; I74-F101 HydrophobicContact CD1-CE2 3.75Å; I74-F101 HydrophobicContact CG1-CE2 4.47Å; I74-F101 HydrophobicContact CG2-CD1 4.01Å; I74-F101 HydrophobicContact CG2-CD2 4.08Å; I74-F101 HydrophobicContact CG2-CE1 3.75Å; I74-F101 HydrophobicContact CG2-CE2 3.82Å; I74-F101 HydrophobicContact CG2-CG 4.18Å; I74-F101 HydrophobicContact CG2-CZ 3.65Å; I74-F128 HydrophobicContact CD1-CD1 3.82Å; I74-F128 HydrophobicContact CD1-CE1 4.23Å; I74-F128 HydrophobicContact CD1-CG 4.42Å
75R72.8Confident74.8Confident32 Ų3244.6 Ų44.612%0.12122%0.218CC..Hα-helixtrans-69.3-38178.2-75.2169.354.8129.515.8113.8I71 Q72 R73 F101 W106 D107I71-R75 WeakPolarHBondContact O-CB 3.36Å; I71-R75 WeakPolarHBondContact O-CD 3.39Å; I71-R75 VanDerWaalsContact O-CG 3.23Å; I71-R75 WeakPolarHBondContact O-CG 3.48Å; I71-R75 PolarHBondContact O-N 3.29Å; I71-R75 VanDerWaalsContact O-N 3.08Å; Q72-R75 PolarHBondContact O-N 2.6Å; R73-R75 VanDerWaalsContact C-N 3.34Å; R75-F101 HydrophobicContact CG-CE1 4.07Å; R75-F101 HydrophobicContact CG-CZ 4.05Å; R75-W106 VanDerWaalsContact NH1-C 3.31Å; R75-W106 PolarHBondContact NH1-O 2.82Å; R75-D107 IonicContact CZ-OD1 2.8Å; R75-D107 IonicContact NH1-OD1 2.65Å; R75-D107 PolarHBondContact NH1-OD1 3.23Å; R75-D107 IonicContact NH2-OD1 2.66Å; R75-D107 PolarHBondContact NH2-OD1 2.98Å
76W65.9Low75.3Confident100 Ų10039.8 Ų39.838%0.37920%0.203SC..Hα-helixtrans-115-12.3-164.9-49.2124.6000115.9Q72 R73 P78 C293 Q294 R296Q72-W76 WeakPolarHBondContact O-CB 3.44Å; Q72-W76 PolarHBondContact O-N 2.82Å; R73-W76 PolarHBondContact O-N 2.87Å; W76-P78 VanDerWaalsContact O-CD 3.29Å; W76-P78 WeakPolarHBondContact O-CD 3.2Å; W76-C293 HydrophobicContact CH2-CB 3.91Å; W76-C293 WeakPolarHBondContact CH2-O 3.06Å; W76-C293 HydrophobicContact CZ2-CB 3.41Å; W76-C293 VanDerWaalsContact CZ2-CB 3.41Å; W76-Q294 WeakPolarHBondContact CH2-O 3.32Å; W76-R296 HydrophobicContact CZ3-CB 4.45Å
77D69.7Low75.5Confident4 Ų436.4 Ų36.42%0.02118%0.182CC..  trans-74117.9172.4-167.9-23.1000110.2R73 R79 L80R73-D77 IonicContact CZ-OD2 3.53Å; R73-D77 IonicContact NE-OD2 3.73Å; R73-D77 PolarHBondContact NE-OD2 2.65Å; R73-D77 IonicContact NH1-OD2 3.49Å; R73-D77 PolarHBondContact NH1-OD2 2.87Å; R73-D77 IonicContact NH2-OD2 2.72Å; R73-D77 PolarHBondContact NH2-OD2 3.35Å; R73-D77 VanDerWaalsContact O-CB 3.24Å; R73-D77 WeakPolarHBondContact O-CB 3.2Å; R73-D77 PolarHBondContact O-N 2.84Å; D77-R79 PolarHBondContact O-N 2.84Å; D77-R79 WeakPolarHBondContact OD1-CB 3.46Å; D77-R79 WeakPolarHBondContact OD1-CG 3.3Å; D77-R79 IonicContact OD1-CZ 2.72Å; D77-R79 PolarHBondContact OD1-N 3.04Å; D77-R79 IonicContact OD1-NE 3.86Å; D77-R79 PolarHBondContact OD1-NE 3.47Å; D77-R79 IonicContact OD1-NH2 3.56Å; D77-R79 IonicContact OD2-CZ 3.65Å; D77-R79 IonicContact OD2-NE 2.62Å; D77-R79 PolarHBondContact OD2-NE 2.64Å; D77-R79 IonicContact OD2-NH2 2.92Å; D77-R79 PolarHBondContact OD2-NH2 3.46Å; D77-L80 HydrophobicContact CB-CB 4.26Å; D77-L80 HydrophobicContact CB-CD1 3.95Å; D77-L80 HydrophobicContact CB-CG 3.95Å; D77-L80 PolarHBondContact O-N 3.14Å; D77-L80 VanDerWaalsContact O-N 3.11Å
78P56.8Low75.8Confident59 Ų5936 Ų3638%0.38318%0.178SC..THydrogen-bonded Turntrans-65.2-5.6179.9-21.134.7000114.6W76 P431 T465W76-P78 VanDerWaalsContact O-CD 3.29Å; W76-P78 WeakPolarHBondContact O-CD 3.2Å; P78-P431 HydrophobicContact CG-CB 4.49Å; P78-T465 VanDerWaalsContact O-CB 3.23Å; P78-T465 WeakPolarHBondContact O-CB 3.42Å; P78-T465 WeakPolarHBondContact O-CG2 3.46Å
79R59.8Low76.1Confident132 Ų13235.8 Ų35.850%0.49817%0.173SC..THydrogen-bonded Turntrans-102.2-1.5179.9-52.5168.6-60.715115.9113R73 D77 L159R73-R79 VanDerWaalsContact NH2-NH2 3.14Å; D77-R79 PolarHBondContact O-N 2.84Å; D77-R79 WeakPolarHBondContact OD1-CB 3.46Å; D77-R79 WeakPolarHBondContact OD1-CG 3.3Å; D77-R79 IonicContact OD1-CZ 2.72Å; D77-R79 PolarHBondContact OD1-N 3.04Å; D77-R79 IonicContact OD1-NE 3.86Å; D77-R79 PolarHBondContact OD1-NE 3.47Å; D77-R79 IonicContact OD1-NH2 3.56Å; D77-R79 IonicContact OD2-CZ 3.65Å; D77-R79 IonicContact OD2-NE 2.62Å; D77-R79 PolarHBondContact OD2-NE 2.64Å; D77-R79 IonicContact OD2-NH2 2.92Å; D77-R79 PolarHBondContact OD2-NH2 3.46Å; R79-L159 HydrophobicContact CB-CD1 3.91Å; R79-L159 HydrophobicContact CB-CD2 4.41Å
80L73.1Confident76.1Confident5 Ų536.9 Ų36.93%0.02618%0.181CC..  trans-114.1135.2177-60.4-178.9000110R73 D77 F85 I158 L159 T465R73-L80 HydrophobicContact CG-CD1 4.33Å; D77-L80 HydrophobicContact CB-CB 4.26Å; D77-L80 HydrophobicContact CB-CD1 3.95Å; D77-L80 HydrophobicContact CB-CG 3.95Å; D77-L80 PolarHBondContact O-N 3.14Å; D77-L80 VanDerWaalsContact O-N 3.11Å; L80-F85 HydrophobicContact CB-CE2 4.08Å; L80-F85 HydrophobicContact CB-CZ 4.36Å; L80-F85 HydrophobicContact CD1-CZ 4.12Å; L80-F85 HydrophobicContact CD2-CZ 4.13Å; L80-F85 HydrophobicContact CG-CZ 4.43Å; L80-I158 HydrophobicContact CD2-CG2 4.16Å; L80-L159 HydrophobicContact CD2-CD1 4.46Å; L80-L159 HydrophobicContact CD2-CD2 4.11Å; L80-L159 HydrophobicContact CD2-CG 4.36Å; L80-T465 WeakPolarHBondContact O-CG2 3.15Å
81D70.9Confident75.9Confident21 Ų2138.6 Ų38.611%0.11219%0.19CC..  trans-101.8114.9174-170.3-21.1000109.6A83 D84 F85 R464 T465D81-A83 PolarHBondContact O-N 2.97Å; D81-A83 VanDerWaalsContact O-N 3.11Å; D81-A83 WeakPolarHBondContact OD1-CB 3.34Å; D81-A83 PolarHBondContact OD1-N 3.08Å; D81-D84 PolarHBondContact O-N 2.94Å; D81-D84 VanDerWaalsContact O-N 3.09Å; D81-F85 VanDerWaalsContact O-CD2 3.23Å; D81-F85 WeakPolarHBondContact O-CD2 3.4Å; D81-R464 WeakPolarHBondContact OD2-CD 3.41Å; D81-R464 VanDerWaalsContact OD2-CG 3.22Å; D81-R464 WeakPolarHBondContact OD2-CG 3.49Å; D81-R464 IonicContact OD2-CZ 3.18Å; D81-R464 IonicContact OD2-NE 2.71Å; D81-R464 PolarHBondContact OD2-NE 2.98Å; D81-R464 IonicContact OD2-NH1 3.16Å; D81-R464 PolarHBondContact OD2-NH1 3Å; D81-T465 HydrophobicContact CB-CG2 4.47Å
82P74.5Confident75.3Confident29 Ų2946.7 Ų46.719%0.18822%0.22CC..G310 helixtrans-55.4-25.1177.2-26.635.3000114.7I74 D84 F85 F101I74-P82 HydrophobicContact CG2-CB 4.26Å; I74-P82 HydrophobicContact CG2-CG 4.38Å; P82-D84 PolarHBondContact O-N 3.44Å; P82-F85 PolarHBondContact O-N 3.29Å; P82-F101 HydrophobicContact CB-CD1 3.89Å; P82-F101 HydrophobicContact CB-CE1 4.25Å
83A72.1Confident74.5Confident50 Ų5049.4 Ų49.441%0.41323%0.231SC..G310 helixtrans-68.8-21.9178.900000113.4D81 F85D81-A83 PolarHBondContact O-N 2.97Å; D81-A83 VanDerWaalsContact O-N 3.11Å; D81-A83 WeakPolarHBondContact OD1-CB 3.34Å; D81-A83 PolarHBondContact OD1-N 3.08Å; A83-F85 VanDerWaalsContact C-N 3.33Å
84D78.1Confident74Confident31 Ų3150.6 Ų50.617%0.16624%0.243CC..G310 helixtrans-89.61-177.4-69.611.2000112.8D81 P82 F130 R131 R464D81-D84 PolarHBondContact O-N 2.94Å; D81-D84 VanDerWaalsContact O-N 3.09Å; P82-D84 PolarHBondContact O-N 3.44Å; D84-F130 HydrophobicContact CB-CD2 3.88Å; D84-F130 HydrophobicContact CB-CE2 3.52Å; D84-F130 HydrophobicContact CB-CZ 4.39Å; D84-F130 WeakPolarHBondContact O-CA 3.49Å; D84-R131 HydrophobicContact CB-CG 4.11Å; D84-R131 PolarHBondContact O-N 3.09Å; D84-R131 IonicContact OD2-CZ 2.92Å; D84-R131 IonicContact OD2-NE 3.4Å; D84-R131 PolarHBondContact OD2-NE 3.02Å; D84-R131 IonicContact OD2-NH2 2.95Å; D84-R131 PolarHBondContact OD2-NH2 3.13Å; D84-R464 IonicContact OD1-NH1 3.19Å; D84-R464 PolarHBondContact OD1-NH1 3.06Å
85F83.6Confident73.8Confident4 Ų452.3 Ų52.32%0.01826%0.261CS..EExtended strand (participates in β ladder)trans-105.6143.3179.9-70.5-94.6000113.1I74 L80 D81 P82 A83 F101 R129 F130 V135 I158I74-F85 HydrophobicContact CD1-CD1 3.52Å; I74-F85 HydrophobicContact CD1-CD2 4.49Å; I74-F85 HydrophobicContact CD1-CE1 3.73Å; I74-F85 HydrophobicContact CD1-CG 3.93Å; I74-F85 HydrophobicContact CD1-CZ 4.33Å; I74-F85 HydrophobicContact CG1-CD1 3.96Å; I74-F85 HydrophobicContact CG1-CD2 4.32Å; I74-F85 HydrophobicContact CG1-CE1 3.74Å; I74-F85 HydrophobicContact CG1-CE2 4.14Å; I74-F85 HydrophobicContact CG1-CG 4.25Å; I74-F85 HydrophobicContact CG1-CZ 3.85Å; I74-F85 HydrophobicContact CG2-CD2 3.65Å; I74-F85 HydrophobicContact CG2-CE2 3.92Å; I74-F85 HydrophobicContact CG2-CG 4.02Å; I74-F85 HydrophobicContact CG2-CZ 4.49Å; L80-F85 HydrophobicContact CB-CE2 4.08Å; L80-F85 HydrophobicContact CB-CZ 4.36Å; L80-F85 HydrophobicContact CD1-CZ 4.12Å; L80-F85 HydrophobicContact CD2-CZ 4.13Å; L80-F85 HydrophobicContact CG-CZ 4.43Å; D81-F85 VanDerWaalsContact O-CD2 3.23Å; D81-F85 WeakPolarHBondContact O-CD2 3.4Å; P82-F85 PolarHBondContact O-N 3.29Å; A83-F85 VanDerWaalsContact C-N 3.33Å; F85-F101 HydrophobicContact CB-CB 3.77Å; F85-F101 HydrophobicContact CB-CD2 4.43Å; F85-F101 HydrophobicContact CB-CG 4.29Å; F85-F101 WeakPolarHBondContact O-CB 3.23Å; F85-F101 PolarHBondContact O-N 2.89Å; F85-R129 VanDerWaalsContact CA-O 3.25Å; F85-R129 WeakPolarHBondContact CA-O 3.36Å; F85-R129 WeakPolarHBondContact CD1-O 3.4Å; F85-F130 HydrophobicContact CD1-CB 4.01Å; F85-F130 HydrophobicContact CD1-CD2 4.11Å; F85-F130 AromaticContact CD2-CD2 3.83Å; F85-F130 HydrophobicContact CD2-CD2 3.83Å; F85-F130 HydrophobicContact CD2-CE2 4.35Å; F85-F130 HydrophobicContact CE1-CB 3.78Å; F85-F130 AromaticContact CE1-CD2 3.76Å; F85-F130 HydrophobicContact CE1-CD2 3.76Å; F85-F130 HydrophobicContact CE1-CG 4.11Å; F85-F130 AromaticContact CE2-CD2 3.43Å; F85-F130 HydrophobicContact CE2-CD2 3.43Å; F85-F130 VanDerWaalsContact CE2-CD2 3.43Å; F85-F130 AromaticContact CE2-CE2 3.76Å; F85-F130 HydrophobicContact CE2-CE2 3.76Å; F85-F130 HydrophobicContact CE2-CG 4.5Å; F85-F130 HydrophobicContact CG-CD2 4.14Å; F85-F130 HydrophobicContact CZ-CB 4.25Å; F85-F130 AromaticContact CZ-CD2 3.39Å; F85-F130 HydrophobicContact CZ-CD2 3.39Å; F85-F130 AromaticContact CZ-CE2 3.99Å; F85-F130 HydrophobicContact CZ-CE2 3.99Å; F85-F130 HydrophobicContact CZ-CG 4.07Å; F85-V135 HydrophobicContact CE1-CG2 4.22Å; F85-I158 HydrophobicContact CE1-CD1 4.01Å; F85-I158 HydrophobicContact CZ-CD1 4.18Å
86S83.6Confident74.1Confident19 Ų1954.3 Ų54.313%0.13328%0.276CS..EExtended strand (participates in β ladder)trans-120.3154.1165.565.20000111E98 E99 F128 R129S86-E98 VanDerWaalsContact CB-OE1 3.32Å; S86-E98 WeakPolarHBondContact CB-OE1 3.48Å; S86-E98 PolarHBondContact OG-OE1 3.24Å; S86-E99 CarbonylContact C-O 3.52Å; S86-E99 WeakPolarHBondContact CA-O 3.41Å; S86-F128 WeakPolarHBondContact O-CA 3.33Å; S86-R129 PolarHBondContact N-O 3.02Å; S86-R129 PolarHBondContact O-N 2.86Å; S86-R129 WeakPolarHBondContact OG-CB 3.32Å
87V86.1Confident74.7Confident0 Ų054.2 Ų54.20%028%0.276CS..EExtended strand (participates in β ladder)trans-124.1115.9-175.2-169.10000109.9E98 E99 F101 F104 W106 V125 F128V87-E98 WeakPolarHBondContact O-CA 3.17Å; V87-E99 PolarHBondContact N-O 2.92Å; V87-E99 PolarHBondContact O-N 2.88Å; V87-F101 HydrophobicContact CG2-CB 4.04Å; V87-F101 HydrophobicContact CG2-CD2 3.62Å; V87-F101 HydrophobicContact CG2-CG 4.25Å; V87-F104 HydrophobicContact CB-CD2 4.48Å; V87-F104 HydrophobicContact CB-CE2 3.85Å; V87-F104 HydrophobicContact CG2-CD2 4.39Å; V87-F104 HydrophobicContact CG2-CE2 4.18Å; V87-W106 HydrophobicContact CG1-CH2 4.31Å; V87-W106 HydrophobicContact CG1-CZ2 4.48Å; V87-W106 HydrophobicContact CG2-CZ2 4.04Å; V87-V125 HydrophobicContact CG1-CG1 3.71Å; V87-V125 HydrophobicContact CG1-CG2 4.19Å; V87-F128 HydrophobicContact CB-CD1 4.39Å; V87-F128 HydrophobicContact CB-CE1 4.33Å; V87-F128 HydrophobicContact CG1-CD1 4.16Å; V87-F128 HydrophobicContact CG1-CE1 3.79Å; V87-F128 HydrophobicContact CG1-CZ 4.23Å; V87-F128 HydrophobicContact CG2-CD1 3.74Å; V87-F128 HydrophobicContact CG2-CE1 3.67Å
88G86.1Confident75.4Confident0 Ų058.1 Ų58.10%029%0.294CS..EExtended strand (participates in β ladder)trans-84115.917200000110.6R97 R126 F127G88-R97 CarbonylContact C-O 3.6Å; G88-R97 WeakPolarHBondContact CA-O 3.36Å; G88-R126 PolarHBondContact O-N 3.38Å; G88-F127 VanDerWaalsContact CA-CE2 3.5Å; G88-F127 PolarHBondContact N-O 2.72Å; G88-F127 PolarHBondContact O-N 2.83Å; G88-F127 VanDerWaalsContact O-N 3.17Å
89Y83.4Confident76.4Confident17 Ų1757.2 Ų57.27%0.06729%0.285CS..EExtended strand (participates in β ladder)trans-129.1152.3179.375.5-81.6000112.4D91 V96 R97 E99 F104 V120 R124Y89-D91 HydrophobicContact CD2-CB 4.48Å; Y89-D91 HydrophobicContact CE2-CB 3.88Å; Y89-D91 PolarHBondContact O-N 2.96Å; Y89-V96 CarbonylContact O-C 3.44Å; Y89-V96 WeakPolarHBondContact O-CA 3.44Å; Y89-R97 HydrophobicContact CD1-CB 4.31Å; Y89-R97 HydrophobicContact CE1-CB 3.73Å; Y89-R97 PolarHBondContact N-O 3.48Å; Y89-R97 PolarHBondContact O-N 3.46Å; Y89-E99 HydrophobicContact CE1-CG 3.85Å; Y89-F104 HydrophobicContact CD1-CE1 4.17Å; Y89-F104 AromaticContact CD1-CZ 3.72Å; Y89-F104 HydrophobicContact CD1-CZ 3.72Å; Y89-F104 AromaticContact CE1-CE1 3.83Å; Y89-F104 HydrophobicContact CE1-CE1 3.83Å; Y89-F104 AromaticContact CE1-CZ 3.59Å; Y89-F104 HydrophobicContact CE1-CZ 3.59Å; Y89-V120 HydrophobicContact CD1-CG2 3.94Å; Y89-V120 HydrophobicContact CD2-CB 4.41Å; Y89-V120 HydrophobicContact CD2-CG1 3.99Å; Y89-V120 HydrophobicContact CD2-CG2 3.48Å; Y89-V120 VanDerWaalsContact CD2-CG2 3.48Å; Y89-V120 HydrophobicContact CE1-CG2 4.09Å; Y89-V120 HydrophobicContact CE2-CG2 3.64Å; Y89-V120 HydrophobicContact CG-CB 4.45Å; Y89-V120 HydrophobicContact CG-CG1 3.93Å; Y89-V120 HydrophobicContact CG-CG2 3.63Å; Y89-R124 WeakPolarHBondContact CA-O 3.32Å
90V79.3Confident77.1Confident62 Ų6253.8 Ų53.838%0.37628%0.28SS..EExtended strand (participates in β ladder)trans-85.3107.6172.8-172.70000108.8G95 V96 R124V90-G95 CarbonylContact C-O 3.59Å; V90-V96 HydrophobicContact CG2-CG2 4.4Å; V90-R124 PolarHBondContact N-O 3.47Å; V90-R124 WeakPolarHBondContact O-CD 3.45Å
91D78.6Confident77.3Confident36 Ų3653.8 Ų53.819%0.19328%0.28CS..  trans-73157.8165.1-178.8-115.3000111.3Y89 F93 L94 G95Y89-D91 HydrophobicContact CD2-CB 4.48Å; Y89-D91 HydrophobicContact CE2-CB 3.88Å; Y89-D91 PolarHBondContact O-N 2.96Å; D91-F93 VanDerWaalsContact C-N 3.35Å; D91-F93 PolarHBondContact OD1-N 3.33Å; D91-L94 HydrophobicContact CB-CB 4.31Å; D91-L94 PolarHBondContact OD1-N 2.85Å; D91-G95 PolarHBondContact N-O 2.86Å
92R68.5Low77.1Confident178 Ų17857 Ų5767%0.67230%0.303SS*.SBendtrans-69.6-29.3177.8175178.2-79.9167.8-7.1113.1
93F62.9Low76.7Confident170 Ų17057.6 Ų57.675%0.74631%0.311SS*.SBendtrans-121.7-32.2-169.5-53-75.4000113D91D91-F93 VanDerWaalsContact C-N 3.35Å; D91-F93 PolarHBondContact OD1-N 3.33Å
94L68.4Low76.5Confident113 Ų11355.7 Ų55.759%0.59229%0.293SS*.SBendtrans-103.88.3-172.7-59.3175.9000114.4D91 R97D91-L94 HydrophobicContact CB-CB 4.31Å; D91-L94 PolarHBondContact OD1-N 2.85Å; L94-R97 HydrophobicContact CB-CG 4.3Å; L94-R97 VanDerWaalsContact CD1-NH1 3.29Å
95G75.6Confident75.7Confident37 Ų3756 Ų5638%0.38130%0.297SS..  trans72.2-139.7179.600000112.8V90 D91 R97V90-G95 CarbonylContact C-O 3.59Å; D91-G95 PolarHBondContact N-O 2.86Å; G95-R97 PolarHBondContact O-N 3.13Å
96V79.1Confident75Confident73 Ų7357.7 Ų57.744%0.44230%0.304SS..EExtended strand (participates in β ladder)trans-84112.9178.4-176.20000109.5Y89 V90 F127Y89-V96 CarbonylContact O-C 3.44Å; Y89-V96 WeakPolarHBondContact O-CA 3.44Å; V90-V96 HydrophobicContact CG2-CG2 4.4Å; V96-F127 HydrophobicContact CG1-CE1 4.01Å
97R79Confident73.7Confident99 Ų9959.2 Ų59.237%0.37431%0.31SS..EExtended strand (participates in β ladder)trans-101.9149.5169-74.1-174.269.3141.10.8110.6G88 Y89 L94 G95 E99G88-R97 CarbonylContact C-O 3.6Å; G88-R97 WeakPolarHBondContact CA-O 3.36Å; Y89-R97 HydrophobicContact CD1-CB 4.31Å; Y89-R97 HydrophobicContact CE1-CB 3.73Å; Y89-R97 PolarHBondContact N-O 3.48Å; Y89-R97 PolarHBondContact O-N 3.46Å; L94-R97 HydrophobicContact CB-CG 4.3Å; L94-R97 VanDerWaalsContact CD1-NH1 3.29Å; G95-R97 PolarHBondContact O-N 3.13Å; R97-E99 IonicContact CZ-OE1 3.78Å; R97-E99 IonicContact NE-OE1 3.76Å; R97-E99 PolarHBondContact NE-OE1 3.42Å; R97-E99 IonicContact NH2-OE1 3.93Å; R97-E99 PolarHBondContact NH2-OE1 3.15Å
98E84.1Confident72.2Confident85 Ų8564.3 Ų64.340%0.39733%0.334SS..EExtended strand (participates in β ladder)trans-120.5127.2170.7-173.6175.714900108.4S86 V87 F127 R129S86-E98 VanDerWaalsContact CB-OE1 3.32Å; S86-E98 WeakPolarHBondContact CB-OE1 3.48Å; S86-E98 PolarHBondContact OG-OE1 3.24Å; V87-E98 WeakPolarHBondContact O-CA 3.17Å; E98-F127 HydrophobicContact CB-CZ 4.49Å; E98-F127 HydrophobicContact CG-CE2 4.21Å; E98-F127 HydrophobicContact CG-CZ 4.48Å; E98-F127 VanDerWaalsContact OE2-CE2 3.29Å; E98-F127 WeakPolarHBondContact OE2-CE2 3.43Å; E98-F127 WeakPolarHBondContact OE2-CZ 3.39Å; E98-R129 VanDerWaalsContact CD-CD 3.49Å; E98-R129 WeakPolarHBondContact OE1-CD 3.44Å; E98-R129 VanDerWaalsContact OE2-CD 3.28Å; E98-R129 WeakPolarHBondContact OE2-CD 3.41Å; E98-R129 IonicContact OE2-NH1 3.74Å
99E77.3Confident70.6Confident40 Ų4069.1 Ų69.119%0.18737%0.365CS..EExtended strand (participates in β ladder)trans-137.1156.7-179.2-55.8-69158.400109S86 V87 Y89 R97 F104S86-E99 CarbonylContact C-O 3.52Å; S86-E99 WeakPolarHBondContact CA-O 3.41Å; V87-E99 PolarHBondContact N-O 2.92Å; V87-E99 PolarHBondContact O-N 2.88Å; Y89-E99 HydrophobicContact CE1-CG 3.85Å; R97-E99 IonicContact CZ-OE1 3.78Å; R97-E99 IonicContact NE-OE1 3.76Å; R97-E99 PolarHBondContact NE-OE1 3.42Å; R97-E99 IonicContact NH2-OE1 3.93Å; R97-E99 PolarHBondContact NH2-OE1 3.15Å; E99-F104 HydrophobicContact CB-CE2 3.74Å; E99-F104 HydrophobicContact CB-CZ 3.56Å; E99-F104 HydrophobicContact CG-CZ 3.92Å
100P74.8Confident69.1Low61 Ų6173 Ų7340%0.39639%0.387SS..EExtended strand (participates in β ladder)trans-64144.6175.927.1-34.3000111.5S102 A103P100-S102 PolarHBondContact O-N 3.25Å; P100-S102 VanDerWaalsContact O-N 3.09Å; P100-A103 HydrophobicContact CG-CB 4.04Å; P100-A103 WeakPolarHBondContact O-CB 3.43Å; P100-A103 PolarHBondContact O-N 2.8Å
101F76.9Confident67.6Low5 Ų575 Ų752%0.02241%0.41CS..G310 helixtrans-58.9-27.2-176.6-176.4-81.6000113.2I71 I74 R75 P82 F85 V87 W106 F128I71-F101 HydrophobicContact CB-CE2 4.5Å; I71-F101 HydrophobicContact CG1-CE2 4.24Å; I71-F101 HydrophobicContact CG2-CE2 4.47Å; I71-F101 HydrophobicContact CG2-CZ 4.11Å; I74-F101 HydrophobicContact CB-CE1 4.42Å; I74-F101 HydrophobicContact CB-CE2 3.96Å; I74-F101 HydrophobicContact CB-CZ 3.85Å; I74-F101 HydrophobicContact CD1-CD2 4.02Å; I74-F101 HydrophobicContact CD1-CE2 3.75Å; I74-F101 HydrophobicContact CG1-CE2 4.47Å; I74-F101 HydrophobicContact CG2-CD1 4.01Å; I74-F101 HydrophobicContact CG2-CD2 4.08Å; I74-F101 HydrophobicContact CG2-CE1 3.75Å; I74-F101 HydrophobicContact CG2-CE2 3.82Å; I74-F101 HydrophobicContact CG2-CG 4.18Å; I74-F101 HydrophobicContact CG2-CZ 3.65Å; R75-F101 HydrophobicContact CG-CE1 4.07Å; R75-F101 HydrophobicContact CG-CZ 4.05Å; P82-F101 HydrophobicContact CB-CD1 3.89Å; P82-F101 HydrophobicContact CB-CE1 4.25Å; F85-F101 HydrophobicContact CB-CB 3.77Å; F85-F101 HydrophobicContact CB-CD2 4.43Å; F85-F101 HydrophobicContact CB-CG 4.29Å; F85-F101 WeakPolarHBondContact O-CB 3.23Å; F85-F101 PolarHBondContact O-N 2.89Å; V87-F101 HydrophobicContact CG2-CB 4.04Å; V87-F101 HydrophobicContact CG2-CD2 3.62Å; V87-F101 HydrophobicContact CG2-CG 4.25Å; F101-W106 AromaticContact CD1-NE1 3.64Å; F101-W106 HydrophobicContact CD2-CZ2 4.3Å; F101-W106 AromaticContact CD2-NE1 3.94Å; F101-W106 AromaticContact CE1-CD1 3.62Å; F101-W106 AromaticContact CE1-NE1 3.49Å; F101-W106 HydrophobicContact CE2-CZ2 4.29Å; F101-W106 AromaticContact CE2-NE1 3.79Å; F101-W106 AromaticContact CG-NE1 3.86Å; F101-W106 AromaticContact CZ-CD1 3.81Å; F101-W106 HydrophobicContact CZ-CG 4.42Å; F101-W106 AromaticContact CZ-NE1 3.57Å; F101-W106 PolarHBondContact O-NE1 2.88Å; F101-F128 HydrophobicContact CD2-CD1 4.34Å; F101-F128 HydrophobicContact CD2-CE1 4.11Å; F101-F128 HydrophobicContact CE2-CE1 4.02Å
102S67.2Low66.2Low87 Ų8776.4 Ų76.461%0.60843%0.427SS*.G310 helixtrans-73-18.3175.950.30000115P100 F104P100-S102 PolarHBondContact O-N 3.25Å; P100-S102 VanDerWaalsContact O-N 3.09Å; S102-F104 PolarHBondContact O-N 3.42Å
103A65.4Low65.4Low42 Ų4269.7 Ų69.735%0.34740%0.404SS..G310 helixtrans-76.2-8.8178.400000113.7P100P100-A103 HydrophobicContact CG-CB 4.04Å; P100-A103 WeakPolarHBondContact O-CB 3.43Å; P100-A103 PolarHBondContact O-N 2.8Å
104F67.8Low64.3Low11 Ų1163.7 Ų63.75%0.04839%0.39CS..SBendtrans-106.5135.1-176.1-59.5-72.1000112.7V87 Y89 E99 S102 W106 L118 V120V87-F104 HydrophobicContact CB-CD2 4.48Å; V87-F104 HydrophobicContact CB-CE2 3.85Å; V87-F104 HydrophobicContact CG2-CD2 4.39Å; V87-F104 HydrophobicContact CG2-CE2 4.18Å; Y89-F104 HydrophobicContact CD1-CE1 4.17Å; Y89-F104 AromaticContact CD1-CZ 3.72Å; Y89-F104 HydrophobicContact CD1-CZ 3.72Å; Y89-F104 AromaticContact CE1-CE1 3.83Å; Y89-F104 HydrophobicContact CE1-CE1 3.83Å; Y89-F104 AromaticContact CE1-CZ 3.59Å; Y89-F104 HydrophobicContact CE1-CZ 3.59Å; E99-F104 HydrophobicContact CB-CE2 3.74Å; E99-F104 HydrophobicContact CB-CZ 3.56Å; E99-F104 HydrophobicContact CG-CZ 3.92Å; S102-F104 PolarHBondContact O-N 3.42Å; F104-W106 HydrophobicContact CB-CD2 4.17Å; F104-W106 HydrophobicContact CB-CH2 4.27Å; F104-W106 HydrophobicContact CB-CZ2 3.6Å; F104-W106 HydrophobicContact CD2-CH2 4.32Å; F104-W106 AromaticContact CD2-CZ2 3.57Å; F104-W106 HydrophobicContact CD2-CZ2 3.57Å; F104-W106 HydrophobicContact CE2-CZ2 4.43Å; F104-W106 HydrophobicContact CG-CH2 4.28Å; F104-W106 AromaticContact CG-CZ2 3.75Å; F104-W106 HydrophobicContact CG-CZ2 3.75Å; F104-W106 PolarHBondContact O-N 2.93Å; F104-W106 VanDerWaalsContact O-N 3.14Å; F104-L118 WeakPolarHBondContact CA-O 3.24Å; F104-L118 HydrophobicContact CD1-CB 4.1Å; F104-L118 HydrophobicContact CE1-CB 4.35Å; F104-V120 HydrophobicContact CD1-CB 4.32Å; F104-V120 HydrophobicContact CD1-CG2 3.7Å; F104-V120 HydrophobicContact CE1-CB 4.28Å; F104-V120 HydrophobicContact CE1-CG2 3.28Å; F104-V120 HydrophobicContact CZ-CG2 4.08Å
105C62.2Low62.8Low36 Ų3665.4 Ų65.424%0.24341%0.408CS..  trans-77.699.6166.5-172.40000110.2D107 L113 V117 L118C105-D107 VanDerWaalsContact C-N 3.3Å; C105-L113 HydrophobicContact CB-CD1 3.92Å; C105-L113 HydrophobicContact CB-CD2 4.2Å; C105-V117 HydrophobicContact CB-CG1 3.65Å; C105-L118 PolarHBondContact N-O 2.82Å
106W69.4Low61.4Low40 Ų4067.6 Ų67.615%0.15243%0.431CS..  trans-85.4-0.8173.1-57.5109.5000113.7I71 R75 V87 F101 F104 V125I71-W106 HydrophobicContact CD1-CD2 4.42Å; I71-W106 HydrophobicContact CD1-CE3 3.63Å; I71-W106 HydrophobicContact CD1-CH2 3.96Å; I71-W106 HydrophobicContact CD1-CZ3 3.37Å; I71-W106 HydrophobicContact CG1-CD2 4.39Å; I71-W106 HydrophobicContact CG1-CE3 4.08Å; I71-W106 HydrophobicContact CG1-CH2 4.3Å; I71-W106 HydrophobicContact CG1-CZ3 4.04Å; I71-W106 HydrophobicContact CG2-CB 4.12Å; I71-W106 HydrophobicContact CG2-CD2 3.82Å; I71-W106 HydrophobicContact CG2-CE3 3.91Å; I71-W106 HydrophobicContact CG2-CG 3.93Å; R75-W106 VanDerWaalsContact NH1-C 3.31Å; R75-W106 PolarHBondContact NH1-O 2.82Å; V87-W106 HydrophobicContact CG1-CH2 4.31Å; V87-W106 HydrophobicContact CG1-CZ2 4.48Å; V87-W106 HydrophobicContact CG2-CZ2 4.04Å; F101-W106 AromaticContact CD1-NE1 3.64Å; F101-W106 HydrophobicContact CD2-CZ2 4.3Å; F101-W106 AromaticContact CD2-NE1 3.94Å; F101-W106 AromaticContact CE1-CD1 3.62Å; F101-W106 AromaticContact CE1-NE1 3.49Å; F101-W106 HydrophobicContact CE2-CZ2 4.29Å; F101-W106 AromaticContact CE2-NE1 3.79Å; F101-W106 AromaticContact CG-NE1 3.86Å; F101-W106 AromaticContact CZ-CD1 3.81Å; F101-W106 HydrophobicContact CZ-CG 4.42Å; F101-W106 AromaticContact CZ-NE1 3.57Å; F101-W106 PolarHBondContact O-NE1 2.88Å; F104-W106 HydrophobicContact CB-CD2 4.17Å; F104-W106 HydrophobicContact CB-CH2 4.27Å; F104-W106 HydrophobicContact CB-CZ2 3.6Å; F104-W106 HydrophobicContact CD2-CH2 4.32Å; F104-W106 AromaticContact CD2-CZ2 3.57Å; F104-W106 HydrophobicContact CD2-CZ2 3.57Å; F104-W106 HydrophobicContact CE2-CZ2 4.43Å; F104-W106 HydrophobicContact CG-CH2 4.28Å; F104-W106 AromaticContact CG-CZ2 3.75Å; F104-W106 HydrophobicContact CG-CZ2 3.75Å; F104-W106 PolarHBondContact O-N 2.93Å; F104-W106 VanDerWaalsContact O-N 3.14Å; W106-V125 HydrophobicContact CH2-CG2 4.4Å
107D55.3Low60.1Low51 Ų5167.5 Ų67.527%0.27343%0.43SS..SBendtrans-93.7-16.3-166.3-67.7-53.3000114.1R75 C105 P295 R346R75-D107 IonicContact CZ-OD1 2.8Å; R75-D107 IonicContact NH1-OD1 2.65Å; R75-D107 PolarHBondContact NH1-OD1 3.23Å; R75-D107 IonicContact NH2-OD1 2.66Å; R75-D107 PolarHBondContact NH2-OD1 2.98Å; C105-D107 VanDerWaalsContact C-N 3.3Å; D107-P295 HydrophobicContact CB-CG 4.44Å; D107-R346 IonicContact OD2-CZ 2.76Å; D107-R346 IonicContact OD2-NH1 3.71Å; D107-R346 IonicContact OD2-NH2 2.76Å; D107-R346 PolarHBondContact OD2-NH2 3.45Å
108Q54.5Low58.9Low107 Ų10766.5 Ų66.550%0.543%0.432SS..SBendtrans-136.4150.7-176.9-66.7176.8-8.300111.6A112 L113Q108-A112 HydrophobicContact CB-CB 4.49Å; Q108-L113 HydrophobicContact CB-CD1 4.48Å; Q108-L113 HydrophobicContact CB-CD2 4.11Å; Q108-L113 HydrophobicContact CB-CG 4.2Å
109P52.8Low57.6Low101 Ų10163.6 Ų63.666%0.65642%0.422SS*.  trans-61.7146170.6-19.832.5000111.2A111 A112P109-A111 PolarHBondContact O-N 3.14Å; P109-A112 PolarHBondContact O-N 2.89Å
110L51.2Low56.9Low98 Ų9862.5 Ų62.551%0.51342%0.418SS..G310 helixtrans-50.2-31.1179172.762.1000113.9A112 A119 P121L110-A112 PolarHBondContact O-N 3.01Å; L110-A119 HydrophobicContact CD1-CB 3.5Å; L110-A119 VanDerWaalsContact CD1-CB 3.5Å; L110-P121 HydrophobicContact CD2-CG 3.83Å
111A48.8Very low56.5Low106 Ų10660.6 Ų60.688%0.87641%0.406SS*.G310 helixtrans-70.9-9.1179.100000114.9P109P109-A111 PolarHBondContact O-N 3.14Å
112A50Low56.1Low65 Ų6565.7 Ų65.754%0.53743%0.43SS..G310 helixtrans-107.40.2-178.800000113.7Q108 P109 L110Q108-A112 HydrophobicContact CB-CB 4.49Å; P109-A112 PolarHBondContact O-N 2.89Å; L110-A112 PolarHBondContact O-N 3.01Å
113L49.7Very low56Low36 Ų3667.7 Ų67.719%0.18843%0.429CS..PPolyproline II helixtrans-102.3134.1-172.4-70.1169.8000112.2C105 Q108 V117 A119C105-L113 HydrophobicContact CB-CD1 3.92Å; C105-L113 HydrophobicContact CB-CD2 4.2Å; Q108-L113 HydrophobicContact CB-CD1 4.48Å; Q108-L113 HydrophobicContact CB-CD2 4.11Å; Q108-L113 HydrophobicContact CB-CG 4.2Å; L113-V117 HydrophobicContact CB-CB 4.47Å; L113-V117 HydrophobicContact CD1-CG1 4.34Å; L113-V117 HydrophobicContact CD2-CG1 4.19Å; L113-A119 HydrophobicContact CD1-CB 3.51Å
114G41.1Very low56.3Low45 Ų4568.9 Ų68.946%0.46443%0.425SS..PPolyproline II helixtrans-76.9167.7-177.100000114.4G116 V117G114-G116 PolarHBondContact O-N 3.41Å; G114-V117 PolarHBondContact O-N 3.19Å
115P37.2Very low57Low148 Ų14868.4 Ų68.496%0.96142%0.423SS*.THydrogen-bonded Turntrans-56.6127.8177.3-22.833.8000111.9
116G46.3Very low58Low83 Ų8372.2 Ų72.286%0.85643%0.432SS*.THydrogen-bonded Turntrans107.1-17.6178.800000115.3G114G114-G116 PolarHBondContact O-N 3.41Å
117V50.3Low58.7Low71 Ų7171.6 Ų71.643%0.4343%0.43SS..  trans-82.9123.5176.2-174.70000110.8C105 L113 G114 A119C105-V117 HydrophobicContact CB-CG1 3.65Å; L113-V117 HydrophobicContact CB-CB 4.47Å; L113-V117 HydrophobicContact CD1-CG1 4.34Å; L113-V117 HydrophobicContact CD2-CG1 4.19Å; G114-V117 PolarHBondContact O-N 3.19Å; V117-A119 PolarHBondContact O-N 2.97Å; V117-A119 VanDerWaalsContact O-N 3.14Å
118L53.7Low60.2Low79 Ų7969.1 Ų69.141%0.41442%0.417SS..  trans-70.7108.7173.4-68.9178.1000110.3F104 C105F104-L118 WeakPolarHBondContact CA-O 3.24Å; F104-L118 HydrophobicContact CD1-CB 4.1Å; F104-L118 HydrophobicContact CE1-CB 4.35Å; C105-L118 PolarHBondContact N-O 2.82Å
119A58.5Low61.7Low24 Ų2467.9 Ų67.920%0.19841%0.408CS..  trans-128.5101.3-173.200000110.4L110 L113 V117L110-A119 HydrophobicContact CD1-CB 3.5Å; L110-A119 VanDerWaalsContact CD1-CB 3.5Å; L113-A119 HydrophobicContact CD1-CB 3.51Å; V117-A119 PolarHBondContact O-N 2.97Å; V117-A119 VanDerWaalsContact O-N 3.14Å
120V62.2Low63.1Low16 Ų1664.6 Ų64.610%0.09738%0.384CS..  trans-93.8121.9-176.3171.90000110.4Y89 F104 Q122 R124 V125Y89-V120 HydrophobicContact CD1-CG2 3.94Å; Y89-V120 HydrophobicContact CD2-CB 4.41Å; Y89-V120 HydrophobicContact CD2-CG1 3.99Å; Y89-V120 HydrophobicContact CD2-CG2 3.48Å; Y89-V120 VanDerWaalsContact CD2-CG2 3.48Å; Y89-V120 HydrophobicContact CE1-CG2 4.09Å; Y89-V120 HydrophobicContact CE2-CG2 3.64Å; Y89-V120 HydrophobicContact CG-CB 4.45Å; Y89-V120 HydrophobicContact CG-CG1 3.93Å; Y89-V120 HydrophobicContact CG-CG2 3.63Å; F104-V120 HydrophobicContact CD1-CB 4.32Å; F104-V120 HydrophobicContact CD1-CG2 3.7Å; F104-V120 HydrophobicContact CE1-CB 4.28Å; F104-V120 HydrophobicContact CE1-CG2 3.28Å; F104-V120 HydrophobicContact CZ-CG2 4.08Å; V120-Q122 PolarHBondContact O-N 2.9Å; V120-R124 HydrophobicContact CG1-CB 4.36Å; V120-V125 HydrophobicContact CG1-CG2 3.85Å
121P65.7Low64.4Low22 Ų2266.4 Ų66.414%0.14338%0.383CS..  trans-59.7129.5169.4-18.729.1000110.2L110 H123 R124L110-P121 HydrophobicContact CD2-CG 3.83Å; P121-H123 WeakPolarHBondContact CB-CE1 3.34Å; P121-H123 PolarHBondContact O-N 3.28Å; P121-R124 HydrophobicContact CB-CG 4.28Å; P121-R124 HydrophobicContact CG-CG 4.35Å; P121-R124 PolarHBondContact O-N 3.46Å
122Q69.6Low65.6Low112 Ų11263.6 Ų63.652%0.52337%0.365SS..G310 helixtrans-51.7-28.5-178.6-63.3170.3-1.200113.4I71 V120 R124 V125I71-Q122 HydrophobicContact CD1-CG 4.26Å; V120-Q122 PolarHBondContact O-N 2.9Å; Q122-R124 VanDerWaalsContact C-N 3.27Å; Q122-R124 PolarHBondContact O-N 2.78Å; Q122-V125 PolarHBondContact O-N 2.92Å
123H65.1Low67Low129 Ų12967.4 Ų67.460%0.59737%0.365SS*.G310 helixtrans-68.5-19176.966-111.5000114.7P121 R138P121-H123 WeakPolarHBondContact CB-CE1 3.34Å; P121-H123 PolarHBondContact O-N 3.28Å; H123-R138 PolarHBondContact O-NH1 3.11Å
124R71.2Confident68.6Low67 Ų6768.8 Ų68.825%0.25337%0.372SS..G310 helixtrans-94.3-10.8178.3-55.8-164-165.9168.74.4114Y89 V90 V120 P121 Q122 R126Y89-R124 WeakPolarHBondContact CA-O 3.32Å; V90-R124 PolarHBondContact N-O 3.47Å; V90-R124 WeakPolarHBondContact O-CD 3.45Å; V120-R124 HydrophobicContact CG1-CB 4.36Å; P121-R124 HydrophobicContact CB-CG 4.28Å; P121-R124 HydrophobicContact CG-CG 4.35Å; P121-R124 PolarHBondContact O-N 3.46Å; Q122-R124 VanDerWaalsContact C-N 3.27Å; Q122-R124 PolarHBondContact O-N 2.78Å; R124-R126 PolarHBondContact O-N 2.87Å
125V82.3Confident70.6Confident1 Ų166.9 Ų66.91%0.00635%0.352CS..EExtended strand (participates in β ladder)trans-66125.6173.3-179.30000108.6A67 V87 W106 V120 Q122 F128 W136A67-V125 HydrophobicContact CB-CB 3.99Å; A67-V125 HydrophobicContact CB-CG1 4.14Å; V87-V125 HydrophobicContact CG1-CG1 3.71Å; V87-V125 HydrophobicContact CG1-CG2 4.19Å; W106-V125 HydrophobicContact CH2-CG2 4.4Å; V120-V125 HydrophobicContact CG1-CG2 3.85Å; Q122-V125 PolarHBondContact O-N 2.92Å; V125-F128 HydrophobicContact CG1-CD2 4.31Å; V125-F128 HydrophobicContact CG1-CE1 4.43Å; V125-F128 HydrophobicContact CG1-CE2 3.56Å; V125-F128 HydrophobicContact CG1-CZ 3.62Å; V125-W136 HydrophobicContact CG1-CZ3 4.46Å
126R83Confident72.9Confident116 Ų11660.2 Ų60.244%0.43831%0.307SS..EExtended strand (participates in β ladder)trans-101-48-179.3-175.6175.9178.5152.5-1.2110.9G88 R124 W136 R138G88-R126 PolarHBondContact O-N 3.38Å; R124-R126 PolarHBondContact O-N 2.87Å; R126-W136 WeakPolarHBondContact O-CZ3 3.28Å; R126-R138 WeakPolarHBondContact O-CB 3.36Å; R126-R138 PolarHBondContact O-N 3.14Å
127F84.4Confident74.7Confident26 Ų2656.7 Ų56.711%0.11427%0.269CS..EExtended strand (participates in β ladder)trans-146.9162.6-177.465-104.1000113.6G88 V96 E98 R129 L134 W136 D137G88-F127 VanDerWaalsContact CA-CE2 3.5Å; G88-F127 PolarHBondContact N-O 2.72Å; G88-F127 PolarHBondContact O-N 2.83Å; G88-F127 VanDerWaalsContact O-N 3.17Å; V96-F127 HydrophobicContact CG1-CE1 4.01Å; E98-F127 HydrophobicContact CB-CZ 4.49Å; E98-F127 HydrophobicContact CG-CE2 4.21Å; E98-F127 HydrophobicContact CG-CZ 4.48Å; E98-F127 VanDerWaalsContact OE2-CE2 3.29Å; E98-F127 WeakPolarHBondContact OE2-CE2 3.43Å; E98-F127 WeakPolarHBondContact OE2-CZ 3.39Å; F127-R129 HydrophobicContact CD2-CG 3.78Å; F127-R129 HydrophobicContact CE2-CG 3.71Å; F127-L134 HydrophobicContact CB-CD1 3.67Å; F127-L134 HydrophobicContact CD2-CD1 3.9Å; F127-L134 HydrophobicContact CG-CD1 3.88Å; F127-W136 CarbonylContact C-O 3.59Å; F127-W136 WeakPolarHBondContact CA-O 3.46Å; F127-W136 VanDerWaalsContact CB-O 3.3Å; F127-W136 WeakPolarHBondContact CB-O 3.46Å; F127-D137 HydrophobicContact CB-CB 4.12Å
128F86.4Confident75.9Confident0 Ų060.3 Ų60.30%028%0.275CS..EExtended strand (participates in β ladder)trans-121.3140.2165.3-64.7-92.7000109.4A67 V70 I71 I74 S86 V87 F101 V125 V135 W136A67-F128 HydrophobicContact CB-CE2 4.16Å; A67-F128 HydrophobicContact CB-CZ 4.49Å; V70-F128 HydrophobicContact CB-CD2 4.19Å; V70-F128 HydrophobicContact CB-CE2 3.93Å; V70-F128 HydrophobicContact CB-CZ 4.4Å; V70-F128 HydrophobicContact CG1-CB 4.49Å; V70-F128 HydrophobicContact CG1-CD1 4.17Å; V70-F128 HydrophobicContact CG1-CD2 3.5Å; V70-F128 HydrophobicContact CG1-CE1 4.3Å; V70-F128 HydrophobicContact CG1-CE2 3.65Å; V70-F128 HydrophobicContact CG1-CG 3.79Å; V70-F128 HydrophobicContact CG1-CZ 4.07Å; I71-F128 HydrophobicContact CD1-CZ 4.17Å; I71-F128 HydrophobicContact CG1-CE1 3.99Å; I71-F128 HydrophobicContact CG1-CZ 3.63Å; I74-F128 HydrophobicContact CD1-CD1 3.82Å; I74-F128 HydrophobicContact CD1-CE1 4.23Å; I74-F128 HydrophobicContact CD1-CG 4.42Å; S86-F128 WeakPolarHBondContact O-CA 3.33Å; V87-F128 HydrophobicContact CB-CD1 4.39Å; V87-F128 HydrophobicContact CB-CE1 4.33Å; V87-F128 HydrophobicContact CG1-CD1 4.16Å; V87-F128 HydrophobicContact CG1-CE1 3.79Å; V87-F128 HydrophobicContact CG1-CZ 4.23Å; V87-F128 HydrophobicContact CG2-CD1 3.74Å; V87-F128 HydrophobicContact CG2-CE1 3.67Å; F101-F128 HydrophobicContact CD2-CD1 4.34Å; F101-F128 HydrophobicContact CD2-CE1 4.11Å; F101-F128 HydrophobicContact CE2-CE1 4.02Å; V125-F128 HydrophobicContact CG1-CD2 4.31Å; V125-F128 HydrophobicContact CG1-CE1 4.43Å; V125-F128 HydrophobicContact CG1-CE2 3.56Å; V125-F128 HydrophobicContact CG1-CZ 3.62Å; F128-V135 HydrophobicContact CB-CG2 4.07Å; F128-V135 WeakPolarHBondContact O-CG2 3.18Å; F128-V135 PolarHBondContact O-N 3.38Å; F128-W136 HydrophobicContact CB-CB 4.38Å; F128-W136 HydrophobicContact CD2-CB 4.15Å; F128-W136 HydrophobicContact CD2-CD2 4.08Å; F128-W136 AromaticContact CD2-CE3 3.6Å; F128-W136 HydrophobicContact CD2-CE3 3.6Å; F128-W136 HydrophobicContact CD2-CG 4.36Å; F128-W136 HydrophobicContact CD2-CZ3 4.28Å; F128-W136 HydrophobicContact CE2-CD2 4.44Å; F128-W136 AromaticContact CE2-CE3 3.9Å; F128-W136 HydrophobicContact CE2-CE3 3.9Å; F128-W136 HydrophobicContact CE2-CZ3 4.16Å; F128-W136 PolarHBondContact N-O 3.43Å; F128-W136 PolarHBondContact O-N 2.95Å
129R85.6Confident76.8Confident81 Ų8159.7 Ų59.731%0.30628%0.281SS..EExtended strand (participates in β ladder)trans-114.3154.3166.7-38-176.781124.8-3.6110.1F85 S86 E98 F127 G132 R133 L134F85-R129 VanDerWaalsContact CA-O 3.25Å; F85-R129 WeakPolarHBondContact CA-O 3.36Å; F85-R129 WeakPolarHBondContact CD1-O 3.4Å; S86-R129 PolarHBondContact N-O 3.02Å; S86-R129 PolarHBondContact O-N 2.86Å; S86-R129 WeakPolarHBondContact OG-CB 3.32Å; E98-R129 VanDerWaalsContact CD-CD 3.49Å; E98-R129 WeakPolarHBondContact OE1-CD 3.44Å; E98-R129 VanDerWaalsContact OE2-CD 3.28Å; E98-R129 WeakPolarHBondContact OE2-CD 3.41Å; E98-R129 IonicContact OE2-NH1 3.74Å; F127-R129 HydrophobicContact CD2-CG 3.78Å; F127-R129 HydrophobicContact CE2-CG 3.71Å; R129-G132 VanDerWaalsContact CZ-O 3.31Å; R129-G132 PolarHBondContact NE-O 3.32Å; R129-G132 PolarHBondContact NH2-O 2.84Å; R129-R133 CarbonylContact C-O 3.43Å; R129-R133 WeakPolarHBondContact CA-O 3.12Å; R129-R133 WeakPolarHBondContact CB-O 3.42Å; R129-L134 HydrophobicContact CG-CD1 4.43Å
130F82.8Confident77.5Confident32 Ų3262.3 Ų62.314%0.1430%0.298CS..EExtended strand (participates in β ladder)trans-128.2119.8170.6176.8-109.2000107.4D84 F85 G132 R133 V135 I158D84-F130 HydrophobicContact CB-CD2 3.88Å; D84-F130 HydrophobicContact CB-CE2 3.52Å; D84-F130 HydrophobicContact CB-CZ 4.39Å; D84-F130 WeakPolarHBondContact O-CA 3.49Å; F85-F130 HydrophobicContact CD1-CB 4.01Å; F85-F130 HydrophobicContact CD1-CD2 4.11Å; F85-F130 AromaticContact CD2-CD2 3.83Å; F85-F130 HydrophobicContact CD2-CD2 3.83Å; F85-F130 HydrophobicContact CD2-CE2 4.35Å; F85-F130 HydrophobicContact CE1-CB 3.78Å; F85-F130 AromaticContact CE1-CD2 3.76Å; F85-F130 HydrophobicContact CE1-CD2 3.76Å; F85-F130 HydrophobicContact CE1-CG 4.11Å; F85-F130 AromaticContact CE2-CD2 3.43Å; F85-F130 HydrophobicContact CE2-CD2 3.43Å; F85-F130 VanDerWaalsContact CE2-CD2 3.43Å; F85-F130 AromaticContact CE2-CE2 3.76Å; F85-F130 HydrophobicContact CE2-CE2 3.76Å; F85-F130 HydrophobicContact CE2-CG 4.5Å; F85-F130 HydrophobicContact CG-CD2 4.14Å; F85-F130 HydrophobicContact CZ-CB 4.25Å; F85-F130 AromaticContact CZ-CD2 3.39Å; F85-F130 HydrophobicContact CZ-CD2 3.39Å; F85-F130 AromaticContact CZ-CE2 3.99Å; F85-F130 HydrophobicContact CZ-CE2 3.99Å; F85-F130 HydrophobicContact CZ-CG 4.07Å; F130-G132 PolarHBondContact O-N 2.86Å; F130-R133 PolarHBondContact N-O 3.32Å; F130-R133 WeakPolarHBondContact O-CB 3.33Å; F130-R133 PolarHBondContact O-N 2.91Å; F130-V135 HydrophobicContact CB-CG1 3.67Å; F130-V135 HydrophobicContact CB-CG2 4.14Å; F130-I158 HydrophobicContact CD1-CG2 3.63Å; F130-I158 HydrophobicContact CE1-CG2 3.72Å; F130-I158 HydrophobicContact CG-CG2 4.14Å; F130-I158 HydrophobicContact CZ-CG2 4.3Å
131R78.4Confident77.9Confident135 Ų13566.7 Ų66.751%0.50931%0.313SS..THydrogen-bonded Turntrans45.948.3-175.6-56.5-175.7178.3-168.4-2.2112.6D84 R133D84-R131 HydrophobicContact CB-CG 4.11Å; D84-R131 PolarHBondContact O-N 3.09Å; D84-R131 IonicContact OD2-CZ 2.92Å; D84-R131 IonicContact OD2-NE 3.4Å; D84-R131 PolarHBondContact OD2-NE 3.02Å; D84-R131 IonicContact OD2-NH2 2.95Å; D84-R131 PolarHBondContact OD2-NH2 3.13Å; R131-R133 PolarHBondContact O-N 3.38Å; R131-R133 VanDerWaalsContact O-N 3.11Å
132G74.3Confident78.4Confident47 Ų4767.6 Ų67.649%0.48532%0.318SS..THydrogen-bonded Turntrans76-17.2-177.700000116.5R129 F130R129-G132 VanDerWaalsContact CZ-O 3.31Å; R129-G132 PolarHBondContact NE-O 3.32Å; R129-G132 PolarHBondContact NH2-O 2.84Å; F130-G132 PolarHBondContact O-N 2.86Å
133R79.7Confident78.8Confident146 Ų14662.3 Ų62.355%0.55129%0.293SS*.EExtended strand (participates in β ladder)trans-79.8133.1177.5-60179.968.4-154.70.9111.1R129 F130 R131 V135R129-R133 CarbonylContact C-O 3.43Å; R129-R133 WeakPolarHBondContact CA-O 3.12Å; R129-R133 WeakPolarHBondContact CB-O 3.42Å; F130-R133 PolarHBondContact N-O 3.32Å; F130-R133 WeakPolarHBondContact O-CB 3.33Å; F130-R133 PolarHBondContact O-N 2.91Å; R131-R133 PolarHBondContact O-N 3.38Å; R131-R133 VanDerWaalsContact O-N 3.11Å; R133-V135 PolarHBondContact O-N 2.57Å
134L83Confident79.3Confident64 Ų6458.8 Ų58.834%0.33528%0.279SS..EExtended strand (participates in β ladder)trans-71.3113.6176.3-170.170000109.9F127 R129 D137F127-L134 HydrophobicContact CB-CD1 3.67Å; F127-L134 HydrophobicContact CD2-CD1 3.9Å; F127-L134 HydrophobicContact CG-CD1 3.88Å; R129-L134 HydrophobicContact CG-CD1 4.43Å; L134-D137 HydrophobicContact CD1-CB 4.34Å; L134-D137 HydrophobicContact CD2-CB 4.04Å; L134-D137 HydrophobicContact CG-CB 4.31Å
135V83.6Confident79.3Confident5 Ų556.2 Ų56.23%0.0327%0.27CS..EExtended strand (participates in β ladder)trans-108.4-23.2-174-66.80000114.1F85 F128 F130 R133 L144 V145 I158F85-V135 HydrophobicContact CE1-CG2 4.22Å; F128-V135 HydrophobicContact CB-CG2 4.07Å; F128-V135 WeakPolarHBondContact O-CG2 3.18Å; F128-V135 PolarHBondContact O-N 3.38Å; F130-V135 HydrophobicContact CB-CG1 3.67Å; F130-V135 HydrophobicContact CB-CG2 4.14Å; R133-V135 PolarHBondContact O-N 2.57Å; V135-L144 WeakPolarHBondContact O-CB 3.49Å; V135-L144 PolarHBondContact O-N 2.95Å; V135-V145 HydrophobicContact CB-CG2 4.37Å; V135-V145 HydrophobicContact CG2-CG2 4.21Å; V135-I158 HydrophobicContact CB-CD1 3.81Å; V135-I158 HydrophobicContact CB-CG1 4.02Å; V135-I158 HydrophobicContact CG1-CD1 3.87Å; V135-I158 HydrophobicContact CG1-CG1 3.76Å; V135-I158 HydrophobicContact CG2-CD1 3.99Å
136W84.8Confident78.5Confident8 Ų858.9 Ų58.93%0.0328%0.282CS..EExtended strand (participates in β ladder)trans-147.2131.9170.9-17797.8000109.3R65 A67 V70 V125 R126 F127 F128 R138 T142 V145R65-W136 WeakPolarHBondContact O-CZ2 3.13Å; R65-W136 PolarHBondContact O-NE1 3.09Å; A67-W136 HydrophobicContact CB-CH2 3.83Å; A67-W136 HydrophobicContact CB-CZ2 4.4Å; A67-W136 HydrophobicContact CB-CZ3 4.24Å; V70-W136 HydrophobicContact CG2-CB 4.4Å; V70-W136 HydrophobicContact CG2-CD2 4.21Å; V70-W136 HydrophobicContact CG2-CG 3.83Å; V125-W136 HydrophobicContact CG1-CZ3 4.46Å; R126-W136 WeakPolarHBondContact O-CZ3 3.28Å; F127-W136 CarbonylContact C-O 3.59Å; F127-W136 WeakPolarHBondContact CA-O 3.46Å; F127-W136 VanDerWaalsContact CB-O 3.3Å; F127-W136 WeakPolarHBondContact CB-O 3.46Å; F128-W136 HydrophobicContact CB-CB 4.38Å; F128-W136 HydrophobicContact CD2-CB 4.15Å; F128-W136 HydrophobicContact CD2-CD2 4.08Å; F128-W136 AromaticContact CD2-CE3 3.6Å; F128-W136 HydrophobicContact CD2-CE3 3.6Å; F128-W136 HydrophobicContact CD2-CG 4.36Å; F128-W136 HydrophobicContact CD2-CZ3 4.28Å; F128-W136 HydrophobicContact CE2-CD2 4.44Å; F128-W136 AromaticContact CE2-CE3 3.9Å; F128-W136 HydrophobicContact CE2-CE3 3.9Å; F128-W136 HydrophobicContact CE2-CZ3 4.16Å; F128-W136 PolarHBondContact N-O 3.43Å; F128-W136 PolarHBondContact O-N 2.95Å; W136-R138 HydrophobicContact CH2-CB 3.85Å; W136-R138 HydrophobicContact CH2-CG 4.4Å; W136-R138 HydrophobicContact CZ3-CB 4Å; W136-T142 VanDerWaalsContact CA-O 3.29Å; W136-T142 WeakPolarHBondContact CA-O 3.49Å; W136-V145 HydrophobicContact CB-CG2 4.04Å
137D83.3Confident77.5Confident9 Ų953.5 Ų53.55%0.04826%0.262CS..EExtended strand (participates in β ladder)trans-142.8127.5173.217233.6000110.9F127 L134 A139 S140 R141 T142F127-D137 HydrophobicContact CB-CB 4.12Å; L134-D137 HydrophobicContact CD1-CB 4.34Å; L134-D137 HydrophobicContact CD2-CB 4.04Å; L134-D137 HydrophobicContact CG-CB 4.31Å; D137-A139 VanDerWaalsContact C-N 3.3Å; D137-A139 PolarHBondContact O-N 2.88Å; D137-A139 PolarHBondContact OD1-N 3.09Å; D137-S140 WeakPolarHBondContact OD2-CB 3.34Å; D137-S140 PolarHBondContact OD2-N 3.37Å; D137-S140 PolarHBondContact OD2-OG 2.98Å; D137-R141 WeakPolarHBondContact O-CA 3.36Å; D137-R141 PolarHBondContact O-N 3.48Å; D137-R141 VanDerWaalsContact O-N 3.13Å; D137-T142 PolarHBondContact N-O 3.39Å; D137-T142 PolarHBondContact O-N 2.85Å
138R76.6Confident76.3Confident148 Ų14854.6 Ų54.656%0.55827%0.273SS*.THydrogen-bonded Turntrans-66.9-28.4179.2-170.4174.3179.7-178.8-2.3113.1H123 R126 W136H123-R138 PolarHBondContact O-NH1 3.11Å; R126-R138 WeakPolarHBondContact O-CB 3.36Å; R126-R138 PolarHBondContact O-N 3.14Å; W136-R138 HydrophobicContact CH2-CB 3.85Å; W136-R138 HydrophobicContact CH2-CG 4.4Å; W136-R138 HydrophobicContact CZ3-CB 4Å
139A73.1Confident74.5Confident65 Ų6556.2 Ų56.254%0.53729%0.29SS..THydrogen-bonded Turntrans-80.7-54.4-179.600000111.6D137 R141D137-A139 VanDerWaalsContact C-N 3.3Å; D137-A139 PolarHBondContact O-N 2.88Å; D137-A139 PolarHBondContact OD1-N 3.09Å; A139-R141 PolarHBondContact O-N 2.71Å
140S71.9Confident72.7Confident79 Ų7955.5 Ų55.555%0.55230%0.297SS*.THydrogen-bonded Turntrans-72.9-5-179.8-49.90000113.8D137 T142D137-S140 WeakPolarHBondContact OD2-CB 3.34Å; D137-S140 PolarHBondContact OD2-N 3.37Å; D137-S140 PolarHBondContact OD2-OG 2.98Å; S140-T142 WeakPolarHBondContact CB-OG1 3.27Å; S140-T142 PolarHBondContact O-N 2.8Å
141R72Confident71Confident109 Ų10958.6 Ų58.641%0.41133%0.329SS..THydrogen-bonded Turntrans57.422.6-172.4-67.1-16252.8128.9-4114.4K61 P62 L64 D137 A139K61-R141 PolarHBondContact O-NH2 2.86Å; P62-R141 PolarHBondContact O-NH2 2.92Å; L64-R141 HydrophobicContact CD1-CB 3.76Å; L64-R141 HydrophobicContact CD1-CG 3.76Å; L64-R141 WeakPolarHBondContact CD2-O 3.39Å; D137-R141 WeakPolarHBondContact O-CA 3.36Å; D137-R141 PolarHBondContact O-N 3.48Å; D137-R141 VanDerWaalsContact O-N 3.13Å; A139-R141 PolarHBondContact O-N 2.71Å
142T74.8Confident69.4Low40 Ų4056.9 Ų56.925%0.24534%0.344CS..EExtended strand (participates in β ladder)trans-75.1130.7179.7-51.40000110.1W136 D137 S140 L144W136-T142 VanDerWaalsContact CA-O 3.29Å; W136-T142 WeakPolarHBondContact CA-O 3.49Å; D137-T142 PolarHBondContact N-O 3.39Å; D137-T142 PolarHBondContact O-N 2.85Å; S140-T142 WeakPolarHBondContact CB-OG1 3.27Å; S140-T142 PolarHBondContact O-N 2.8Å; T142-L144 HydrophobicContact CG2-CD1 4.48Å; T142-L144 HydrophobicContact CG2-CG 4.05Å
143D78.1Confident68.3Low2 Ų257 Ų571%0.01134%0.344CS..EExtended strand (participates in β ladder)trans-144.194.8170.3177.44000109L64 V145 F146 G147 S148 G149L64-D143 HydrophobicContact CD2-CB 4.45Å; D143-V145 WeakPolarHBondContact OD1-CB 3.33Å; D143-V145 PolarHBondContact OD1-N 2.84Å; D143-F146 PolarHBondContact OD1-N 2.96Å; D143-G147 CarbonylContact O-C 3.34Å; D143-G147 WeakPolarHBondContact O-CA 3.26Å; D143-G147 PolarHBondContact O-N 3.22Å; D143-S148 PolarHBondContact O-N 3.4Å; D143-S148 WeakPolarHBondContact OD2-CB 3.45Å; D143-G149 PolarHBondContact O-N 2.99Å
144L75.2Confident66.7Low55 Ų5559.7 Ų59.729%0.28836%0.355SS..  trans-93.9-8.3170.3-54.9178.5000111.4V135 T142 T157 I158V135-L144 WeakPolarHBondContact O-CB 3.49Å; V135-L144 PolarHBondContact O-N 2.95Å; T142-L144 HydrophobicContact CG2-CD1 4.48Å; T142-L144 HydrophobicContact CG2-CG 4.05Å; L144-T157 CarbonylContact O-C 3.49Å; L144-T157 WeakPolarHBondContact O-CA 3.4Å; L144-T157 WeakPolarHBondContact O-CB 3.37Å; L144-I158 PolarHBondContact O-N 3.41Å
145V72.9Confident65.3Low12 Ų1257.1 Ų57.17%0.07334%0.343CS..SBendtrans-67.8-41.1175.6-178.60000110V70 R73 V135 W136 D143 I158V70-V145 HydrophobicContact CG1-CG1 4.36Å; V70-V145 HydrophobicContact CG1-CG2 3.93Å; V70-V145 HydrophobicContact CG2-CB 4.41Å; V70-V145 HydrophobicContact CG2-CG1 4.42Å; V70-V145 HydrophobicContact CG2-CG2 4.26Å; R73-V145 HydrophobicContact CB-CG1 4.06Å; R73-V145 HydrophobicContact CG-CG1 3.84Å; V135-V145 HydrophobicContact CB-CG2 4.37Å; V135-V145 HydrophobicContact CG2-CG2 4.21Å; W136-V145 HydrophobicContact CB-CG2 4.04Å; D143-V145 WeakPolarHBondContact OD1-CB 3.33Å; D143-V145 PolarHBondContact OD1-N 2.84Å; V145-I158 HydrophobicContact CB-CD1 4.39Å; V145-I158 HydrophobicContact CG2-CD1 3.92Å
146F65.1Low63.9Low58 Ų5861 Ų6125%0.25437%0.369SS..SBendtrans-118.81.2178.1-58.1-88.6000113.6R65 D69 V70 R73 D143 S148R65-F146 HydrophobicContact CB-CD2 3.64Å; R65-F146 HydrophobicContact CB-CE2 3.74Å; R65-F146 HydrophobicContact CB-CG 4.45Å; R65-F146 HydrophobicContact CG-CB 4.27Å; R65-F146 HydrophobicContact CG-CD1 4.5Å; R65-F146 HydrophobicContact CG-CD2 3.59Å; R65-F146 HydrophobicContact CG-CE2 3.91Å; R65-F146 HydrophobicContact CG-CG 3.9Å; R65-F146 HydrophobicContact CG-CZ 4.48Å; D69-F146 HydrophobicContact CB-CE2 4.08Å; D69-F146 HydrophobicContact CB-CZ 4.06Å; V70-F146 HydrophobicContact CG2-CE2 4Å; R73-F146 HydrophobicContact CB-CE1 4.22Å; R73-F146 HydrophobicContact CB-CE2 4.32Å; R73-F146 HydrophobicContact CB-CZ 3.68Å; R73-F146 HydrophobicContact CG-CE1 4.06Å; R73-F146 HydrophobicContact CG-CZ 3.98Å; D143-F146 PolarHBondContact OD1-N 2.96Å; F146-S148 PolarHBondContact O-N 3.23Å; F146-S148 PolarHBondContact O-OG 2.88Å
147G62.3Low63.1Low2 Ų261.6 Ų61.62%0.02137%0.373CS..SBendtrans65.813.3-176.800000114.3D143 G155D143-G147 CarbonylContact O-C 3.34Å; D143-G147 WeakPolarHBondContact O-CA 3.26Å; D143-G147 PolarHBondContact O-N 3.22Å; G147-G155 PolarHBondContact O-N 3.18Å; G147-G155 VanDerWaalsContact O-N 3.17Å
148S57.6Low62.2Low49 Ų4962 Ų6234%0.34338%0.375SS..THydrogen-bonded Turntrans-87.2-1.4-171.4-60.50000114.2D143 F146D143-S148 PolarHBondContact O-N 3.4Å; D143-S148 WeakPolarHBondContact OD2-CB 3.45Å; F146-S148 PolarHBondContact O-N 3.23Å; F146-S148 PolarHBondContact O-OG 2.88Å
149G50.1Low61.5Low35 Ų3558.2 Ų58.236%0.36137%0.366SS..THydrogen-bonded Turntrans-84.4-16.9177.700000114.8D143D143-G149 PolarHBondContact O-N 2.99Å
150S48Very low60.7Low65 Ų6559.3 Ų59.346%0.45536%0.362SS..  trans-81.9142.4-177.6-172.20000112.3A152S150-A152 PolarHBondContact O-N 3.2Å; S150-A152 PolarHBondContact OG-N 3.16Å
151A45.5Very low59.7Low98 Ų9857 Ų5781%0.8135%0.348SS*.THydrogen-bonded Turntrans-76.3-8.8177.600000113.9
152A45.2Very low58.2Low99 Ų9957 Ų5782%0.81836%0.362SS*.THydrogen-bonded Turntrans-103.716.7-172.400000114.3S150S150-A152 PolarHBondContact O-N 3.2Å; S150-A152 PolarHBondContact OG-N 3.16Å
153G52.7Low56.6Low48 Ų4861.2 Ų61.250%0.49538%0.383SS..SBendtrans88.4-160.5-168.800000112.2G155G153-G155 PolarHBondContact O-N 3.17Å
154R46Very low54.6Low204 Ų20467.3 Ų67.377%0.7742%0.421SS*.SBendtrans-57.295.2-170.2-169.5-170.2-145.4-109.811111.7
155G52.2Low52.7Low9 Ų972.5 Ų72.59%0.09344%0.444CS..  trans-68.416517600000112.2G147 G153 T157G147-G155 PolarHBondContact O-N 3.18Å; G147-G155 VanDerWaalsContact O-N 3.17Å; G153-G155 PolarHBondContact O-N 3.17Å; G155-T157 PolarHBondContact O-N 2.95Å
156P55.6Low50.7Low88 Ų8875.7 Ų75.757%0.57148%0.479SS*.  trans-57.8124.2175.725.6-34.2000109.8D160P156-D160 HydrophobicContact CB-CB 4.2Å
157T66.8Low48.9Very low19 Ų1977.8 Ų77.812%0.11751%0.506CS..  trans-81.7174176.869.30000110.7L144 G155 L159 D160L144-T157 CarbonylContact O-C 3.49Å; L144-T157 WeakPolarHBondContact O-CA 3.4Å; L144-T157 WeakPolarHBondContact O-CB 3.37Å; G155-T157 PolarHBondContact O-N 2.95Å; T157-L159 PolarHBondContact O-N 3.33Å; T157-D160 WeakPolarHBondContact CA-OD2 3.36Å; T157-D160 VanDerWaalsContact CB-OD2 3.27Å; T157-D160 WeakPolarHBondContact CB-OD2 3.43Å; T157-D160 WeakPolarHBondContact CG2-OD2 3.49Å; T157-D160 PolarHBondContact N-OD2 2.96Å; T157-D160 PolarHBondContact O-N 3.35Å; T157-D160 VanDerWaalsContact OG1-CG 3.3Å; T157-D160 PolarHBondContact OG1-OD2 2.94Å
158I65.5Low47.6Very low17 Ų1787.1 Ų87.19%0.08755%0.549CS..THydrogen-bonded Turntrans-46.2-31173-64.1176.2000112.8L80 F85 F130 V135 L144 V145L80-I158 HydrophobicContact CD2-CG2 4.16Å; F85-I158 HydrophobicContact CE1-CD1 4.01Å; F85-I158 HydrophobicContact CZ-CD1 4.18Å; F130-I158 HydrophobicContact CD1-CG2 3.63Å; F130-I158 HydrophobicContact CE1-CG2 3.72Å; F130-I158 HydrophobicContact CG-CG2 4.14Å; F130-I158 HydrophobicContact CZ-CG2 4.3Å; V135-I158 HydrophobicContact CB-CD1 3.81Å; V135-I158 HydrophobicContact CB-CG1 4.02Å; V135-I158 HydrophobicContact CG1-CD1 3.87Å; V135-I158 HydrophobicContact CG1-CG1 3.76Å; V135-I158 HydrophobicContact CG2-CD1 3.99Å; L144-I158 PolarHBondContact O-N 3.41Å; V145-I158 HydrophobicContact CB-CD1 4.39Å; V145-I158 HydrophobicContact CG2-CD1 3.92Å
159L61Low46.2Very low70 Ų7088.2 Ų88.237%0.36657%0.569SS.*THydrogen-bonded Turntrans-99.1-6.8-173.7-60.2168.9000114R79 L80 T157R79-L159 HydrophobicContact CB-CD1 3.91Å; R79-L159 HydrophobicContact CB-CD2 4.41Å; L80-L159 HydrophobicContact CD2-CD1 4.46Å; L80-L159 HydrophobicContact CD2-CD2 4.11Å; L80-L159 HydrophobicContact CD2-CG 4.36Å; T157-L159 PolarHBondContact O-N 3.33Å
160D56.8Low45.1Very low87 Ų8791.1 Ų91.147%0.46559%0.589SS.*THydrogen-bonded Turntrans-97.9-1.1-180-52.4-52.8000112.3P156 T157P156-D160 HydrophobicContact CB-CB 4.2Å; T157-D160 WeakPolarHBondContact CA-OD2 3.36Å; T157-D160 VanDerWaalsContact CB-OD2 3.27Å; T157-D160 WeakPolarHBondContact CB-OD2 3.43Å; T157-D160 WeakPolarHBondContact CG2-OD2 3.49Å; T157-D160 PolarHBondContact N-OD2 2.96Å; T157-D160 PolarHBondContact O-N 3.35Å; T157-D160 VanDerWaalsContact OG1-CG 3.3Å; T157-D160 PolarHBondContact OG1-OD2 2.94Å
161A50.2Low44.2Very low31 Ų3197 Ų9726%0.25661%0.61SS.*SBendtrans-101.8122.4176.800000110.5
162P41.5Very low43.5Very low108 Ų10896 Ų9670%0.70161%0.609SS**  trans-66.3151.4177.627.9-34.4000111.9T164P162-T164 PolarHBondContact O-N 3.41Å
163N40.9Very low42.8Very low129 Ų12996.6 Ų96.669%0.6961%0.613SS**  trans-72.584.7176.2-71.2-28.9000110.9E165N163-E165 VanDerWaalsContact C-N 3.35Å; N163-E165 PolarHBondContact O-N 2.83Å
164T35Very low41.4Very low130 Ų130102 Ų10280%0.79863%0.626SS**  trans-85.876.7168.9-46.60000109.9P162P162-T164 PolarHBondContact O-N 3.41Å
165E36.6Very low40.3Very low165 Ų165103.6 Ų103.677%0.77163%0.632SS**  trans-87.4120.1170.1-67.2-170.1159.400110.2N163N163-E165 VanDerWaalsContact C-N 3.35Å; N163-E165 PolarHBondContact O-N 2.83Å
166G30.5Very low39Very low79 Ų79107.9 Ų107.981%0.81466%0.656SS**  trans105.680.6164.100000117.8
167A27.9Very low37.8Very low101 Ų101111.4 Ų111.484%0.83567%0.669SS**  trans-155.6136.7145.700000110.6
168H33.2Very low35.8Very low198 Ų198115.4 Ų115.492%0.91770%0.704SS**  trans-69.1138.7-165.3-57.1-93.8000116.3
169G28.3Very low33.8Very low73 Ų73117.5 Ų117.575%0.75373%0.73SS**  105.516511600000120.1
170A28Very low32.2Very low96 Ų96120.9 Ų120.979%0.79375%0.754SS**  trans80.2137.3167.200000119.5
171E29.2Very low30.7Very low189 Ų189120.1 Ų120.188%0.88377%0.767SS**  trans64.3111.8160-49.2-70.477.500119
172G29.9Very low29.7Very low77 Ų77128.3 Ų128.379%0.79480%0.8SS**  trans-91.5128.5171.800000112.9E174G172-E174 PolarHBondContact O-N 3.36Å; G172-E174 VanDerWaalsContact O-N 3.09Å
173A30.4Very low28.9Very low110 Ų110132.2 Ų132.291%0.90981%0.809SS**  trans-80.184.1169.400000110.6W175A173-W175 PolarHBondContact O-N 3.3Å
174E23.5Very low28.2Very low163 Ų163130 Ų13076%0.76281%0.809SS**  trans-64.4111.8175.7-172.8177.8115.200110.9G172 T176G172-E174 PolarHBondContact O-N 3.36Å; G172-E174 VanDerWaalsContact O-N 3.09Å; E174-T176 HydrophobicContact CG-CG2 4.36Å; E174-T176 PolarHBondContact O-N 2.94Å; E174-T176 WeakPolarHBondContact OE1-CG2 3.28Å
175W24.1Very low27.7Very low237 Ų237133.1 Ų133.190%0.89881%0.814SS**  trans-78.691.8173.1-174-82.2000109.7A173 L177A173-W175 PolarHBondContact O-N 3.3Å; W175-L177 PolarHBondContact O-N 2.98Å
176T25.2Very low27.1Very low98 Ų98130.1 Ų130.160%0.60182%0.818SS**  trans-66.6128.3179.237.90000112E174 A178E174-T176 HydrophobicContact CG-CG2 4.36Å; E174-T176 PolarHBondContact O-N 2.94Å; E174-T176 WeakPolarHBondContact OE1-CG2 3.28Å; T176-A178 PolarHBondContact O-N 3.38Å
177L28.8Very low26.8Very low162 Ų162130.8 Ų130.885%0.84882%0.816SS**  trans-87.199.3173.4-170.475.6000109.2W175W175-L177 PolarHBondContact O-N 2.98Å
178A25Very low27.2Very low103 Ų103131.5 Ų131.585%0.85181%0.812SS**  trans-85120.6-176.900000112.8T176T176-A178 PolarHBondContact O-N 3.38Å
179G24.5Very low26.9Very low61 Ų61131.8 Ų131.863%0.62981%0.81SS**  trans124.2130.1170.200000113.9
180T26.9Very low26.7Very low142 Ų142140.5 Ų140.587%0.87182%0.82SS**  cis-156.8135.4-0.942.20000111.8
181G25.3Very low26.5Very low71 Ų71138.9 Ų138.973%0.73281%0.813SS**  trans70.7126.2149.700000119.5
182Q29.3Very low26.3Very low203 Ų203135.2 Ų135.295%0.94981%0.809SS**  -179.6170.496.2-92-168.5-85.800111.3
183E25.3Very low26.1Very low189 Ų189136.9 Ų136.988%0.88380%0.804SS**  trans-91.3134.7-172.3-68.8169.883.900114.5
184A25.6Very low25.8Very low84 Ų84142.6 Ų142.669%0.69480%0.801SS**  trans51.2140.5130.500000123.8
185Q24.5Very low26.9Very low194 Ų194139.6 Ų139.691%0.90780%0.796SS**  trans71.2126.5161.5-38.5-163.323.300116.1
186A24.1Very low27Very low103 Ų103136.7 Ų136.785%0.85180%0.798SS**  cis-161.517541.400000113.1
187A24.5Very low26.9Very low93 Ų93137 Ų13777%0.76980%0.802SS**  trans-111166.2170.300000110.3
188P34.8Very low26.8Very low116 Ų116136.5 Ų136.575%0.75381%0.806SS**  -154.4150.578.539.3-19.2000119.1
189K27Very low26.8Very low203 Ų203135 Ų13588%0.88380%0.801SS**  trans30.7128.3136.4-56.2179179.9179.30121.4
190R25.3Very low27Very low256 Ų256141.2 Ų141.297%0.96681%0.814SS**  -152160.3121.9-134.6-179.4-143.9-95.12.5111.2
191G24Very low26.9Very low63 Ų63143.6 Ų143.665%0.64982%0.815SS**  trans-175.5165.7171.900000112.6
192S25.1Very low27.2Very low112 Ų112148 Ų14878%0.78382%0.816SS**  trans64.2145.7166.1-1270000117.4
193T24.9Very low27.7Very low112 Ų112144.4 Ų144.469%0.68781%0.81SS**  cis-161.8136.4-1.1-15.30000110.9
194R24.6Very low27.6Very low229 Ų229138.7 Ų138.786%0.86480%0.802SS**  trans45.2-177.1143.9-69-176.3101.2-173.97.5120.2
195P46.4Very low27.7Very low101 Ų101140.5 Ų140.566%0.65681%0.805SS**  -132.5179.1-65.441.1-26.7000113.6
196L25.2Very low27.9Very low176 Ų176140.3 Ų140.392%0.92180%0.803SS**  trans-172.6177140.1-106.6155.7000112.8
197C24.1Very low28.1Very low104 Ų104143.7 Ų143.770%0.70380%0.802SS**  trans-132.1-175.8-159.8-56.40000114.1
198T26.4Very low29.3Very low151 Ų151144.9 Ų144.993%0.92680%0.802SS**  trans76.6151177.574.20000115.5
199G25.4Very low28.7Very low73 Ų73142.9 Ų142.975%0.75380%0.802SS**  cis-169.6163.1-5.800000111.9
200H28.9Very low28.9Very low191 Ų191141.8 Ų141.888%0.88480%0.8SS**  trans-78.5159.7-175.9-79.7-100.7000114.4
201Q25Very low29.1Very low191 Ų191135.7 Ų135.789%0.89379%0.786SS**  trans-150.3130.9153.8-162.1147.397.300111.7
202E30.7Very low29.2Very low164 Ų164140.7 Ų140.777%0.76679%0.792SS**  trans-106.6176.8168.3-68.2-115.112400109.3
203P39.8Very low29.4Very low127 Ų127139 Ų13983%0.82579%0.785SS**  -158.3134.896.936.9-16.3000119.1
204G24Very low29.5Very low69 Ų69138.1 Ų138.171%0.71179%0.789SS**  trans71.8174.9142.200000119.7
205V28.1Very low29.7Very low123 Ų123135.2 Ų135.275%0.74579%0.786SS**  cis-150.9130.86.8172.10000111.7
206E26.8Very low28.9Very low189 Ų189136.2 Ų136.288%0.88378%0.782SS**  trans59.4155.1151.8-66.7166.6-168.600125.6
207E29.6Very low29.2Very low174 Ų174137 Ų13781%0.81377%0.772SS**  trans-137.2-179.3178.4-87.4-85.4172.900105.6
208P48.6Very low29.4Very low118 Ų118135.9 Ų135.977%0.76677%0.77SS**  cis-131.6-165.2-6.935.4-13.9000113.7
209G23.9Very low29.5Very low74 Ų74137 Ų13776%0.76377%0.77SS**  trans-171.5104.8162.700000116.4
210E29.5Very low29.5Very low180 Ų180136.8 Ų136.884%0.84177%0.767SS**  trans-87.6-179.2169.3-59-179.2115.700110.5
211L29.5Very low29.4Very low128 Ų128134.1 Ų134.167%0.6777%0.765SS**  cis-165.8-172.127-150.9132.2000111
212E27.5Very low29.4Very low168 Ų168129.6 Ų129.679%0.78576%0.76SS**  trans80.6149.6166.4-60.3-75.3116.900119.3
213A28.8Very low29.3Very low76 Ų76126.2 Ų126.263%0.62876%0.76SS**  cis-174.2164.5-37.300000111.4
214A27.6Very low28.6Very low94 Ų94127.3 Ų127.378%0.77776%0.759SS**  trans67.4137.2171.600000118.3
215Q29Very low28.8Very low169 Ų169131.8 Ų131.879%0.7977%0.765SS**  cis84.3125.624.4-160.3178.7-9.900113.3
216E29.7Very low28.7Very low122 Ų122129.6 Ų129.657%0.5777%0.768SS**  cis-142.6-160.43.4-129.8172.6115.700108.7
217R29.6Very low28.7Very low193 Ų193127.3 Ų127.373%0.72877%0.767SS**  cis-160.9166.613.6-140.1158.3-138161.822113.5
218A29.7Very low28.7Very low79 Ų79127 Ų12765%0.65377%0.77SS**  trans12.8155.5141.100000122.6
219L27Very low27.7Very low175 Ų175125.2 Ų125.292%0.91677%0.765SS**  cis-171.4161.8-8.4-114.6163.1000109.6
220G25.6Very low28.5Very low68 Ų68127.1 Ų127.170%0.70176%0.764SS**  trans148139.9148.600000116.9
221T26.9Very low28.4Very low136 Ų136130.5 Ų130.583%0.83477%0.769SS**  trans-143.2128.6-170.2-40.80000113.4
222A25.7Very low28.3Very low95 Ų95128.3 Ų128.379%0.78578%0.777SS**  trans56.7156.8151.300000124.1
223A28.2Very low28.3Very low93 Ų93131.2 Ų131.277%0.76978%0.781SS**  trans81.995.9146.600000122.6
224D26Very low28.2Very low150 Ų150134.6 Ų134.680%0.80279%0.788SS**  71.8160.8112.2-151.516.3000123
225L27.4Very low28Very low163 Ų163135.1 Ų135.185%0.85379%0.792SS**  trans73.5133.4171.2-62.1168.6000119.2
226G26.2Very low27.8Very low77 Ų77130.8 Ų130.879%0.79479%0.792SS**  trans154.656.9165.200000119.1
227T26.6Very low27.6Very low141 Ų141131.5 Ų131.587%0.86581%0.805SS**  trans-66132.9176.6-57.40000113.8
228L28.6Very low27.4Very low169 Ų169128.3 Ų128.389%0.88581%0.807SS**  trans-161131.4149.5-111.8165.9000112.9
229A29.4Very low27.2Very low80 Ų80133.4 Ų133.466%0.66182%0.818SS**  trans-126.3164.5165.700000108
230P39.3Very low27Very low114 Ų114129 Ų12974%0.7481%0.806SS**  -160.2-176.389.442.8-23.1000117.4
231R28.1Very low27Very low251 Ų251134 Ų13495%0.94782%0.816SS**  trans83.3107.3156.5-69.2178.9174175.4-2120.1
232G28.3Very low26.8Very low81 Ų81136.6 Ų136.684%0.83582%0.815SS**  trans-170127.9151.500000108.3
233R26.4Very low27Very low229 Ų229138.4 Ų138.486%0.86482%0.819SS**  trans-142.9151.3-169.8-164.3-153.2-86.9-130.8-2.1112.3
234L26.7Very low26.7Very low148 Ų148140.2 Ų140.278%0.77582%0.821SS**  trans91.6120.5169.4-52.9173.1000112.6
235A24.2Very low26.7Very low104 Ų104137.8 Ų137.886%0.8682%0.822SS**  cis90.4124.140.500000113.3
236G24.4Very low26.6Very low78 Ų78134.7 Ų134.780%0.80482%0.819SS**  trans176.3130.8178.300000111.6
237V24.8Very low26.5Very low137 Ų137137.8 Ų137.883%0.8382%0.823SS**  trans-106176.5-173.6178.40000110.2
238T26.6Very low26.5Very low127 Ų127142.4 Ų142.478%0.77983%0.825SS**  trans92.9160.4167.671.40000116.8
239E24.8Very low26.3Very low186 Ų186140.5 Ų140.587%0.86982%0.82SS**  cis-162.7-172-47.7-150.4-172.6142.200106.3
240A23.7Very low26.1Very low81 Ų81142.5 Ų142.567%0.66983%0.825SS**  trans-68.7155.9-173.400000115.1
241L25.1Very low25.5Very low175 Ų175144.7 Ų144.792%0.91683%0.83SS**  -175.3158.9117.8-97.4162000112.8
242K22.9Very low25.4Very low189 Ų189141 Ų14182%0.82283%0.828SS**  trans-96163.7169.2-71.3178.5176.5175.30110.2
243P28.9Very low25.1Very low133 Ų133140.5 Ų140.586%0.86482%0.823SS**  -132.2165.6123.823.1-5.7000115.5
244T23.1Very low25Very low132 Ų132133.1 Ų133.181%0.8182%0.817SS**  trans-103.2141.4-172.145.10000113.7
245A25.8Very low25Very low98 Ų98136.3 Ų136.381%0.8183%0.825SS**  trans-173.8126.1140.900000108
246A25Very low25Very low98 Ų98138.6 Ų138.681%0.8182%0.818SS**  cis93.5101.438.700000114
247T24.6Very low25Very low143 Ų143140 Ų14088%0.87782%0.822SS**  trans-143.5141156.6-62.10000108.1
248R25.9Very low24.9Very low237 Ų237141.2 Ų141.289%0.89482%0.819SS**  trans-152.6113.4-170.6176.1-176.3178.3151.50.7112.1
249T24.7Very low24.8Very low129 Ų129139.5 Ų139.579%0.79182%0.818SS**  trans-149.193.9171.4-44.70000108
250T25.5Very low24.8Very low123 Ų123138.4 Ų138.476%0.75582%0.817SS**  98.9134.481.7-63.70000111.8
251L26.5Very low24.7Very low160 Ų160137.7 Ų137.784%0.83882%0.817SS**  trans-80.1152.7-177.4-75.872.2000112.9
252L25Very low24.9Very low173 Ų173135.8 Ų135.891%0.90681%0.813SS**  -145.8132.9125.7-88.6161.1000104.2
253G23.4Very low25.5Very low71 Ų71132.6 Ų132.673%0.73281%0.811SS**  84.9108.752.500000108.7
254G23.2Very low25.2Very low73 Ų73130 Ų13075%0.75381%0.808SS**  cis144.9137.71.500000109.9
255K27Very low25.2Very low215 Ų215127.6 Ų127.694%0.93581%0.81SS**  trans-162.7151166.8-119.5173.5-172.9-179.10113
256E23.1Very low25.2Very low152 Ų152128.9 Ų128.971%0.7181%0.813SS**  trans-97.1161.2-173.1-59.1161.285.400113Q258E256-Q258 PolarHBondContact OE1-NE2 3.4Å
257A25.9Very low25.2Very low108 Ų108128.6 Ų128.689%0.89381%0.81SS**  trans-141.1102144.900000108.2
258Q22.6Very low25.2Very low162 Ų162130.5 Ų130.576%0.75781%0.809SS**  trans-97.6148.1173-56.5-173.333.700110.7E256E256-Q258 PolarHBondContact OE1-NE2 3.4Å
259A23.6Very low25.3Very low92 Ų92125.9 Ų125.976%0.7681%0.807SS**  trans140.5139.9152.500000111.2
260L24.9Very low25.3Very low163 Ų163125.5 Ų125.585%0.85381%0.805SS**  cis-150.3148.1-18.4-89.9160.4000103.5
261G22.8Very low25.5Very low65 Ų65128.5 Ų128.567%0.6781%0.811SS**  74.3131.35400000110.3
262V28.8Very low25.4Very low136 Ų136124.6 Ų124.682%0.82480%0.802SS**  cis-166.8174.88.6176.50000105.3
263P34.9Very low25.4Very low122 Ų122125.5 Ų125.579%0.79280%0.801SS**  cis-104.7-174.9-22.915.69000111.5
264G22.6Very low25.7Very low78 Ų78133.1 Ų133.180%0.80481%0.808SS**  cis123.91163.800000111.5
265G23.7Very low25.9Very low81 Ų81132.1 Ų132.184%0.83580%0.798SS**  trans-172.986.1-176.400000111.1
266S25.5Very low26.3Very low125 Ų125128.6 Ų128.687%0.87480%0.797SS**  trans-75.4126.3-179.549.50000111.7
267A25.8Very low26.4Very low92 Ų92126 Ų12676%0.7680%0.801SS**  trans-123.1119.2159.500000107.4T269A267-T269 PolarHBondContact O-N 2.82Å
268E24.6Very low26.5Very low183 Ų183125.5 Ų125.586%0.85580%0.797SS**  trans-69120178.6-67.8161.3116.500109.2T270E268-T270 PolarHBondContact O-N 2.96Å
269T26.3Very low27.3Very low140 Ų140127.9 Ų127.986%0.85980%0.8SS**  trans-7975.4170.751.70000109.1A267 E271A267-T269 PolarHBondContact O-N 2.82Å; T269-E271 PolarHBondContact O-N 3.17Å
270T25Very low27.6Very low122 Ų122129.4 Ų129.475%0.74880%0.801SS**  trans-54.9130.5173.5-470000109.9E268 A272E268-T270 PolarHBondContact O-N 2.96Å; T270-A272 PolarHBondContact O-N 2.97Å
271E30Very low27.8Very low186 Ų186130.9 Ų130.987%0.86980%0.804SS**  trans-63.9108.4178.7-66.4177.9106.600110T269 E273T269-E271 PolarHBondContact O-N 3.17Å; E271-E273 PolarHBondContact O-N 2.69Å; E271-E273 VanDerWaalsContact O-N 3.08Å
272A25.9Very low28.3Very low78 Ų78135 Ų13565%0.64581%0.81SS**  trans-79.989.2179.200000110.1T270 W274T270-A272 PolarHBondContact O-N 2.97Å; A272-W274 PolarHBondContact O-N 2.73Å
273E23.3Very low28.5Very low191 Ų191138 Ų13889%0.89381%0.812SS**  trans-64.5112.8172.9-167-177.114200110.4E271 G275E271-E273 PolarHBondContact O-N 2.69Å; E271-E273 VanDerWaalsContact O-N 3.08Å; E273-G275 PolarHBondContact O-N 2.68Å
274W30Very low28.3Very low231 Ų231141 Ų14188%0.87581%0.808SS**  trans-78.485.1-172.1-82.879.3000113.2A272A272-W274 PolarHBondContact O-N 2.73Å
275G27Very low28.9Very low52 Ų52142.4 Ų142.454%0.53681%0.812SS.*  trans-67.1158.7163.700000113.4E273 A277E273-G275 PolarHBondContact O-N 2.68Å; G275-A277 PolarHBondContact O-N 3.44Å
276P35.5Very low29.2Very low142 Ų142148.1 Ų148.192%0.92281%0.808SS**  trans-8896.5-169.133.7-35000113.7
277A26.5Very low29.6Very low97 Ų97150.7 Ų150.780%0.80281%0.811SS**  trans-144.9149.2170.100000114.2G275G275-A277 PolarHBondContact O-N 3.44Å
278A27.4Very low29.8Very low98 Ų98151.7 Ų151.781%0.8181%0.813SS**  trans-14.4130.7176.700000119.8
279W38.7Very low30.1Very low212 Ų212149.6 Ų149.680%0.80381%0.812SS**PPolyproline II helixtrans-64147.1157.9-66.796.5000110.9E281W279-E281 PolarHBondContact O-N 3.48Å
280P30.3Very low30.5Very low123 Ų123146.9 Ų146.980%0.79980%0.804SS**PPolyproline II helixtrans-69.7129.7-175.4-19.432.8000113.7
281E29.8Very low30.9Very low195 Ų195144.7 Ų144.791%0.91180%0.798SS**PPolyproline II helixtrans-82.6153.8172.1-70.3-17011800113.2W279 K283W279-E281 PolarHBondContact O-N 3.48Å; E281-K283 PolarHBondContact O-N 3.06Å
282D33.9Very low31.3Very low150 Ų150141.6 Ų141.680%0.80279%0.794SS**PPolyproline II helixtrans-77.9119.2-163.2-172.3-4.7000114.3
283K32.4Very low32.4Very low199 Ų199141.4 Ų141.487%0.86579%0.787SS**  trans-146.486.4162.9-71.7-170.9-179.1166.60113.7E281E281-K283 PolarHBondContact O-N 3.06Å
284R29.6Very low33.9Very low187 Ų187137.7 Ų137.771%0.70677%0.77SS**  -164118.8120.7-165.4166.6-67.7-134.42114.1R286R284-R286 HydrophobicContact CG-CG 4.09Å; R284-R286 PolarHBondContact O-N 2.89Å; R284-R286 VanDerWaalsContact O-N 3.08Å
285A36.6Very low35.7Very low107 Ų107128 Ų12888%0.88474%0.736SS**  trans-61110.8159.500000111
286R28.7Very low38Very low200 Ų200129 Ų12976%0.75572%0.724SS**  trans-128.5149.4156.6-62.9-165.4-169.5-131.46.7107.7R284 S288R284-R286 HydrophobicContact CG-CG 4.09Å; R284-R286 PolarHBondContact O-N 2.89Å; R284-R286 VanDerWaalsContact O-N 3.08Å; R286-S288 PolarHBondContact O-N 2.93Å
287L33.9Very low40.4Very low179 Ų179124.1 Ų124.194%0.93769%0.692SS**  trans-56.4112.1-179.2-66163.4000110V289L287-V289 PolarHBondContact O-N 2.76Å
288S30.6Very low43.5Very low113 Ų113121.6 Ų121.679%0.7967%0.667SS**  trans-77105.9-177.445.50000110.9R286 A290R286-S288 PolarHBondContact O-N 2.93Å; S288-A290 PolarHBondContact O-N 3.09Å; S288-A290 VanDerWaalsContact O-N 3.17Å
289V30.6Very low46.6Very low140 Ų140117.1 Ų117.185%0.84863%0.63SS**  trans-59.9113.7146.5178.80000105.3L287 A291L287-V289 PolarHBondContact O-N 2.76Å; V289-A291 PolarHBondContact O-N 3.21Å; V289-A291 VanDerWaalsContact O-N 3.14Å
290A34.1Very low49.2Very low82 Ų82107.5 Ų107.568%0.67859%0.593SS**  trans-59.4120.5-175.700000109.7S288S288-A290 PolarHBondContact O-N 3.09Å; S288-A290 VanDerWaalsContact O-N 3.17Å
291A34.8Very low52.3Low76 Ų76101.7 Ų101.763%0.62856%0.555SS**  trans-58.8143.9175.900000109.9V289 C293V289-A291 PolarHBondContact O-N 3.21Å; V289-A291 VanDerWaalsContact O-N 3.14Å; A291-C293 PolarHBondContact O-N 2.87Å; A291-C293 PolarHBondContact O-SG 2.91Å
292P39Very low55.4Low121 Ų12192.4 Ų92.479%0.78651%0.512SS*.  trans-52.8112.1177.2-26.435.1000110.7Q294P292-Q294 PolarHBondContact O-N 2.83Å
293C47.6Very low58.3Low74 Ų7485.4 Ų85.450%0.548%0.475SS..  trans-73100.3-172.6-56.90000109.5W76 A291W76-C293 HydrophobicContact CH2-CB 3.91Å; W76-C293 WeakPolarHBondContact CH2-O 3.06Å; W76-C293 HydrophobicContact CZ2-CB 3.41Å; W76-C293 VanDerWaalsContact CZ2-CB 3.41Å; A291-C293 PolarHBondContact O-N 2.87Å; A291-C293 PolarHBondContact O-SG 2.91Å
294Q55.6Low61.2Low113 Ų11377.5 Ų77.553%0.52844%0.441SS..PPolyproline II helixtrans-48.8126-170.6-71.6-69.113.400112W76 P292W76-Q294 WeakPolarHBondContact CH2-O 3.32Å; P292-Q294 PolarHBondContact O-N 2.83Å
295P67.4Low64.3Low27 Ų2768.9 Ų68.918%0.17541%0.409CS..PPolyproline II helixtrans-54.8141.4-170.8-21.327.4000112.7D107 R346 L415D107-P295 HydrophobicContact CB-CG 4.44Å; P295-R346 VanDerWaalsContact CB-NH1 3.27Å; P295-L415 HydrophobicContact CB-CD2 4.06Å; P295-L415 HydrophobicContact CG-CD2 4.09Å; P295-L415 WeakPolarHBondContact O-CD1 3.48Å
296R74.8Confident66.9Low75 Ų7567.4 Ų67.428%0.28339%0.389SS..PPolyproline II helixtrans-55.5129.4179.1178.9176170.2175.8-4.9109.8W76W76-R296 HydrophobicContact CZ3-CB 4.45Å
297P87.3Confident70Confident38 Ų3861.4 Ų61.425%0.24737%0.37CS..PPolyproline II helixtrans-66.9151176.427.5-35000111.8L344 L415 I462P297-L344 HydrophobicContact CB-CB 4.26Å; P297-L344 HydrophobicContact CB-CD2 4.09Å; P297-L344 HydrophobicContact CG-CD2 4.17Å; P297-L415 HydrophobicContact CB-CD1 3.63Å; P297-I462 HydrophobicContact CB-CD1 3.82Å; P297-I462 HydrophobicContact CG-CD1 3.87Å
298T89.8Confident72.8Confident45 Ų4557.3 Ų57.328%0.27635%0.354SS..SBendtrans-110.6-30.2176.456.60000111.9L345 R346 L347 I462T298-L345 PolarHBondContact N-O 2.8Å; T298-L345 PolarHBondContact OG1-O 3.17Å; T298-L345 VanDerWaalsContact OG1-O 3.13Å; T298-R346 HydrophobicContact CG2-CG 4.38Å; T298-R346 WeakPolarHBondContact OG1-CA 3.47Å; T298-L347 PolarHBondContact OG1-N 2.79Å; T298-L347 PolarHBondContact OG1-O 2.93Å; T298-I462 WeakPolarHBondContact O-CB 3.38Å; T298-I462 PolarHBondContact O-N 3.03Å
299H93.1Very high75.7Confident4 Ų453 Ų532%0.01933%0.327CS..EExtended strand (participates in β ladder)trans-140.2159.9-170.7-7291.7000109.1L345 L347 E353 C460 R461H299-L345 HydrophobicContact CB-CB 4.07Å; H299-L345 PolarHBondContact N-O 2.83Å; H299-L345 PolarHBondContact O-N 2.94Å; H299-L345 VanDerWaalsContact O-O 3.13Å; H299-L347 HydrophobicContact CB-CD1 3.99Å; H299-L347 HydrophobicContact CB-CG 4.26Å; H299-E353 IonicContact CE1-OE1 2.71Å; H299-E353 PolarHBondContact CE1-OE1 2.81Å; H299-E353 VanDerWaalsContact CE1-OE1 3.24Å; H299-E353 IonicContact NE2-OE1 3.38Å; H299-E353 PolarHBondContact NE2-OE1 3.36Å; H299-E353 VanDerWaalsContact NE2-OE1 3.15Å; H299-C460 CarbonylContact C-O 3.57Å; H299-C460 VanDerWaalsContact CA-O 3.23Å; H299-C460 WeakPolarHBondContact CA-O 3.37Å; H299-R461 VanDerWaalsContact CD2-CA 3.41Å; H299-R461 WeakPolarHBondContact CD2-CA 3.48Å; H299-R461 WeakPolarHBondContact NE2-CB 3.39Å; H299-R461 WeakPolarHBondContact NE2-CG 3.16Å
300F94Very high78.7Confident10 Ų1046.3 Ų46.34%0.04429%0.286CS..EExtended strand (participates in β ladder)trans-150.3153.5177.566.3-78.8000110.9A302 H339 T341 A343 L344 C460 I462 F469F300-A302 HydrophobicContact CD2-CB 3.7Å; F300-A302 HydrophobicContact CE2-CB 3.65Å; F300-H339 AromaticContact CE2-CD2 3.5Å; F300-H339 VanDerWaalsContact CE2-CD2 3.5Å; F300-H339 WeakPolarHBondContact CE2-CD2 3.5Å; F300-H339 AromaticContact CE2-NE2 3.65Å; F300-T341 HydrophobicContact CB-CG2 4.29Å; F300-A343 CarbonylContact C-O 3.48Å; F300-A343 VanDerWaalsContact CA-O 3.24Å; F300-A343 WeakPolarHBondContact CA-O 3.22Å; F300-A343 WeakPolarHBondContact CB-O 3.38Å; F300-L344 HydrophobicContact CB-CD2 3.9Å; F300-C460 HydrophobicContact CD1-CB 3.8Å; F300-C460 WeakPolarHBondContact CD1-O 3.21Å; F300-C460 HydrophobicContact CD2-CB 4.24Å; F300-C460 HydrophobicContact CE1-CB 3.33Å; F300-C460 HydrophobicContact CE2-CB 3.8Å; F300-C460 HydrophobicContact CG-CB 4.24Å; F300-C460 HydrophobicContact CZ-CB 3.34Å; F300-C460 PolarHBondContact N-O 3.11Å; F300-C460 PolarHBondContact O-N 3.24Å; F300-I462 HydrophobicContact CD1-CD1 4.3Å; F300-I462 HydrophobicContact CD1-CG1 3.54Å; F300-I462 HydrophobicContact CE1-CG1 3.96Å; F300-F469 HydrophobicContact CE1-CB 3.76Å; F300-F469 HydrophobicContact CE1-CD2 4.49Å; F300-F469 HydrophobicContact CE1-CG 4.05Å; F300-F469 HydrophobicContact CZ-CB 3.88Å; F300-F469 AromaticContact CZ-CD1 3.89Å; F300-F469 HydrophobicContact CZ-CD1 3.89Å; F300-F469 AromaticContact CZ-CD2 3.88Å; F300-F469 HydrophobicContact CZ-CD2 3.88Å; F300-F469 HydrophobicContact CZ-CE1 4.37Å; F300-F469 HydrophobicContact CZ-CE2 4.36Å; F300-F469 AromaticContact CZ-CG 3.62Å; F300-F469 HydrophobicContact CZ-CG 3.62Å
301V95.1Very high81.6Confident0 Ų044.8 Ų44.80%027%0.265CS..EExtended strand (participates in β ladder)trans-102.2131.7168.6-173.40000107.7L342 A343 L345 L360 L403 L407 L457 W458 L459V301-L342 PolarHBondContact O-N 3.2Å; V301-A343 HydrophobicContact CB-CB 4.05Å; V301-A343 HydrophobicContact CG2-CB 4.09Å; V301-A343 PolarHBondContact N-O 2.92Å; V301-A343 PolarHBondContact O-N 2.92Å; V301-L345 HydrophobicContact CG2-CD1 4.03Å; V301-L360 HydrophobicContact CB-CD2 4.47Å; V301-L360 HydrophobicContact CG1-CD1 4.14Å; V301-L360 HydrophobicContact CG1-CD2 3.8Å; V301-L360 HydrophobicContact CG2-CD1 4.4Å; V301-L360 HydrophobicContact CG2-CD2 3.8Å; V301-L403 HydrophobicContact CG1-CD2 4.19Å; V301-L407 HydrophobicContact CG2-CD1 4.35Å; V301-L457 HydrophobicContact CG1-CB 4.24Å; V301-L457 HydrophobicContact CG1-CD1 4.39Å; V301-W458 WeakPolarHBondContact CA-O 3.28Å; V301-L459 HydrophobicContact CG2-CD1 4.17Å
302A95.3Very high84.4Confident0 Ų043.2 Ų43.20%025%0.253CS..EExtended strand (participates in β ladder)trans-144.2156.9-178.800000114F300 H339 L340 L457 W458F300-A302 HydrophobicContact CD2-CB 3.7Å; F300-A302 HydrophobicContact CE2-CB 3.65Å; A302-H339 HydrophobicContact CB-CB 4.17Å; A302-L340 CarbonylContact C-O 3.5Å; A302-L340 WeakPolarHBondContact CA-O 3.46Å; A302-L340 WeakPolarHBondContact CB-O 3.41Å; A302-L457 WeakPolarHBondContact O-CA 3.25Å; A302-W458 PolarHBondContact N-O 3.2Å; A302-W458 PolarHBondContact O-N 2.88Å
303L94.8Very high87Confident3 Ų338.2 Ų38.22%0.01622%0.219CC..EExtended strand (participates in β ladder)trans-84128.1155.717165.4000108.4H339 L340 L375 Q452 L454 L457L303-H339 CarbonylContact O-C 3.52Å; L303-H339 VanDerWaalsContact O-CA 3.23Å; L303-H339 WeakPolarHBondContact O-CA 3.5Å; L303-H339 WeakPolarHBondContact O-CB 3.43Å; L303-L340 HydrophobicContact CB-CB 4.47Å; L303-L340 HydrophobicContact CD2-CD1 4.49Å; L303-L340 PolarHBondContact N-O 2.71Å; L303-L340 PolarHBondContact O-N 2.78Å; L303-L375 HydrophobicContact CD2-CD1 3.44Å; L303-L375 VanDerWaalsContact CD2-CD1 3.44Å; L303-Q452 HydrophobicContact CD2-CG 3.87Å; L303-Q452 HydrophobicContact CG-CG 4.39Å; L303-L454 HydrophobicContact CB-CD1 4.38Å; L303-L454 HydrophobicContact CD1-CD1 4.05Å; L303-L454 HydrophobicContact CD2-CD1 4.07Å; L303-L454 HydrophobicContact CG-CD1 4.39Å; L303-L457 HydrophobicContact CB-CD2 4.08Å
304M93.4Very high89.2Confident34 Ų3434.7 Ų34.717%0.16720%0.195CC..EExtended strand (participates in β ladder)trans-82.4145.9170.4-69.8-64.1-65.700110.6T306 H339 W458 F469M304-T306 PolarHBondContact O-N 2.8Å; M304-H339 HydrophobicContact SD-CB 3.97Å; M304-W458 HydrophobicContact CG-CB 4.18Å; M304-W458 HydrophobicContact CG-CD2 4.1Å; M304-W458 HydrophobicContact CG-CG 3.65Å; M304-F469 HydrophobicContact CE-CE2 3.89Å; M304-F469 HydrophobicContact CE-CZ 3.74Å; M304-F469 HydrophobicContact SD-CE2 3.61Å; M304-F469 HydrophobicContact SD-CZ 3.61Å
305V93.4Very high91.1Very high6 Ų631.8 Ų31.84%0.03619%0.185CC..  trans-86.4104.6172.1174.20000109.7L310 Q311 L338 L340 L425V305-L310 HydrophobicContact CG1-CB 4.28Å; V305-L310 HydrophobicContact CG1-CD2 3.8Å; V305-L310 HydrophobicContact CG1-CG 3.95Å; V305-L310 HydrophobicContact CG2-CD2 4.23Å; V305-Q311 HydrophobicContact CG1-CG 3.86Å; V305-Q311 PolarHBondContact O-NE2 2.96Å; V305-L338 HydrophobicContact CB-CB 3.84Å; V305-L338 HydrophobicContact CG1-CB 4.46Å; V305-L338 HydrophobicContact CG2-CB 4.09Å; V305-L338 PolarHBondContact N-O 3.11Å; V305-L340 HydrophobicContact CG2-CD1 4.23Å; V305-L425 HydrophobicContact CG2-CD1 3.68Å; V305-L425 HydrophobicContact CG2-CD2 4.16Å
306T91.6Very high92.4Very high76 Ų7635.3 Ų35.347%0.46620%0.197SC..  trans-98.2-24-178.858.80000113.3M304 P308 Q452M304-T306 PolarHBondContact O-N 2.8Å; T306-P308 WeakPolarHBondContact O-CD 3.23Å; T306-Q452 PolarHBondContact OG1-NE2 2.71Å
307E93.7Very high93.2Very high74 Ų7431.7 Ų31.735%0.34618%0.184SC..  trans-72.4119.1-173.6-73.1-61.5149.900112.2G309 L310 Q311 C451 Q452 P453E307-G309 PolarHBondContact O-N 3.46Å; E307-L310 HydrophobicContact CB-CB 4.2Å; E307-L310 PolarHBondContact O-N 2.88Å; E307-L310 VanDerWaalsContact O-N 3.16Å; E307-Q311 WeakPolarHBondContact O-CG 3.36Å; E307-Q311 PolarHBondContact O-N 3.38Å; E307-C451 WeakPolarHBondContact CB-O 3.27Å; E307-C451 WeakPolarHBondContact CG-O 3.25Å; E307-Q452 VanDerWaalsContact N-OE1 3.09Å; E307-P453 HydrophobicContact CG-CG 4.38Å; E307-P453 WeakPolarHBondContact OE1-CD 3.14Å; E307-P453 WeakPolarHBondContact OE1-CG 3.45Å
308P92.5Very high93.6Very high93 Ų9330.7 Ų30.760%0.60418%0.176SC*.Hα-helixtrans-64.9-26.1-178.427.2-34.6000112T306 A312T306-P308 WeakPolarHBondContact O-CD 3.23Å; P308-A312 WeakPolarHBondContact O-CB 3.4Å; P308-A312 PolarHBondContact O-N 2.85Å
309G92.5Very high93.9Very high21 Ų2134.3 Ų34.322%0.21619%0.19CC..Hα-helixtrans-61.5-55.7171.300000112.2E307 Q311 A312 E313 V449E307-G309 PolarHBondContact O-N 3.46Å; G309-Q311 VanDerWaalsContact C-N 3.31Å; G309-Q311 PolarHBondContact O-N 3.22Å; G309-A312 PolarHBondContact O-N 3.41Å; G309-A312 VanDerWaalsContact O-N 3.17Å; G309-E313 WeakPolarHBondContact O-CG 3.44Å; G309-E313 PolarHBondContact O-N 2.8Å; G309-V449 CarbonylContact C-O 3.57Å; G309-V449 WeakPolarHBondContact O-CG1 3.43Å
310L93.5Very high93.9Very high0 Ų038.9 Ų38.90%021%0.207CC..Hα-helixtrans-63.4-38.3179.1176.958.7000111.5V305 E307 E313 V314 F377 L425 V449 Q452V305-L310 HydrophobicContact CG1-CB 4.28Å; V305-L310 HydrophobicContact CG1-CD2 3.8Å; V305-L310 HydrophobicContact CG1-CG 3.95Å; V305-L310 HydrophobicContact CG2-CD2 4.23Å; E307-L310 HydrophobicContact CB-CB 4.2Å; E307-L310 PolarHBondContact O-N 2.88Å; E307-L310 VanDerWaalsContact O-N 3.16Å; L310-E313 PolarHBondContact O-N 3Å; L310-V314 HydrophobicContact CD1-CG2 4.2Å; L310-V314 WeakPolarHBondContact O-CG2 3.32Å; L310-V314 PolarHBondContact O-N 2.85Å; L310-F377 HydrophobicContact CD1-CB 4.11Å; L310-F377 HydrophobicContact CD1-CD2 3.8Å; L310-F377 HydrophobicContact CD1-CG 4.22Å; L310-F377 HydrophobicContact CD2-CD2 3.43Å; L310-F377 VanDerWaalsContact CD2-CD2 3.43Å; L310-F377 HydrophobicContact CD2-CE2 3.55Å; L310-F377 HydrophobicContact CD2-CG 4.47Å; L310-F377 HydrophobicContact CG-CD2 4.31Å; L310-L425 HydrophobicContact CD1-CD2 4.11Å; L310-L425 HydrophobicContact CD2-CD2 4.04Å; L310-L425 HydrophobicContact CG-CD2 4.24Å; L310-V449 PolarHBondContact N-O 2.84Å; L310-Q452 HydrophobicContact CD2-CB 3.8Å
311Q94.4Very high93.9Very high50 Ų5038.4 Ų38.423%0.23421%0.205CC..Hα-helixtrans-59-47172.7-67.2-176.58.200111.5V305 E307 G309 E313 V314 T315 L338V305-Q311 HydrophobicContact CG1-CG 3.86Å; V305-Q311 PolarHBondContact O-NE2 2.96Å; E307-Q311 WeakPolarHBondContact O-CG 3.36Å; E307-Q311 PolarHBondContact O-N 3.38Å; G309-Q311 VanDerWaalsContact C-N 3.31Å; G309-Q311 PolarHBondContact O-N 3.22Å; Q311-E313 PolarHBondContact O-N 2.79Å; Q311-V314 PolarHBondContact O-N 3.07Å; Q311-T315 PolarHBondContact O-N 3.42Å; Q311-T315 PolarHBondContact O-OG1 2.99Å; Q311-T315 VanDerWaalsContact O-OG1 3.07Å; Q311-L338 HydrophobicContact CG-CD1 4.44Å
312A93.6Very high93.8Very high44 Ų4440.5 Ų40.536%0.36422%0.218SC..Hα-helixtrans-65.3-37.6178.900000113.3P308 G309 T315 K316P308-A312 WeakPolarHBondContact O-CB 3.4Å; P308-A312 PolarHBondContact O-N 2.85Å; G309-A312 PolarHBondContact O-N 3.41Å; G309-A312 VanDerWaalsContact O-N 3.17Å; A312-T315 PolarHBondContact O-N 2.96Å; A312-K316 WeakPolarHBondContact O-CG 3.44Å; A312-K316 PolarHBondContact O-N 2.96Å
313E93.9Very high93.8Very high15 Ų1547.8 Ų47.87%0.0725%0.252CS..Hα-helixtrans-66.2-37.4173.8-69.5-66.9109.700112G309 L310 Q311 K316 A317 L445 S446 V449G309-E313 WeakPolarHBondContact O-CG 3.44Å; G309-E313 PolarHBondContact O-N 2.8Å; L310-E313 PolarHBondContact O-N 3Å; Q311-E313 PolarHBondContact O-N 2.79Å; E313-K316 PolarHBondContact O-N 3.42Å; E313-K316 IonicContact OE1-NZ 3.24Å; E313-K316 PolarHBondContact OE1-NZ 3.43Å; E313-A317 PolarHBondContact O-N 3.33Å; E313-A317 VanDerWaalsContact O-N 3.15Å; E313-L445 HydrophobicContact CB-CD2 3.76Å; E313-L445 WeakPolarHBondContact O-CD2 3.49Å; E313-S446 WeakPolarHBondContact OE2-CB 3.49Å; E313-S446 PolarHBondContact OE2-N 3.34Å; E313-V449 HydrophobicContact CG-CB 3.99Å; E313-V449 HydrophobicContact CG-CG1 3.73Å
314V94.4Very high93.7Very high0 Ų051.1 Ų51.10%027%0.272CS..Hα-helixtrans-66.6-41.2172171.80000111.2L310 Q311 K316 A317 Q318 L338 L425 V427L310-V314 HydrophobicContact CD1-CG2 4.2Å; L310-V314 WeakPolarHBondContact O-CG2 3.32Å; L310-V314 PolarHBondContact O-N 2.85Å; Q311-V314 PolarHBondContact O-N 3.07Å; V314-K316 PolarHBondContact O-N 3.17Å; V314-A317 WeakPolarHBondContact O-CB 3.42Å; V314-A317 PolarHBondContact O-N 2.87Å; V314-A317 VanDerWaalsContact O-N 3.14Å; V314-Q318 HydrophobicContact CG1-CG 4.31Å; V314-Q318 WeakPolarHBondContact O-CG 3.39Å; V314-Q318 PolarHBondContact O-N 3.49Å; V314-L338 HydrophobicContact CB-CD1 4.05Å; V314-L338 HydrophobicContact CG1-CD1 3.74Å; V314-L338 HydrophobicContact CG1-CD2 3.95Å; V314-L338 HydrophobicContact CG2-CD1 4.41Å; V314-L425 HydrophobicContact CG2-CD2 4.07Å; V314-V427 HydrophobicContact CG1-CG1 4.17Å; V314-V427 HydrophobicContact CG1-CG2 4.19Å
315T94.7Very high93.6Very high52 Ų5250.4 Ų50.432%0.31927%0.272SS..Hα-helixtrans-57.9-46.2174.8-580000111.4Q311 A312 A317 Q318 E319Q311-T315 PolarHBondContact O-N 3.42Å; Q311-T315 PolarHBondContact O-OG1 2.99Å; Q311-T315 VanDerWaalsContact O-OG1 3.07Å; A312-T315 PolarHBondContact O-N 2.96Å; T315-A317 VanDerWaalsContact C-N 3.3Å; T315-A317 PolarHBondContact O-N 3.04Å; T315-Q318 CarbonylContact O-C 3.32Å; T315-Q318 WeakPolarHBondContact O-CA 3.45Å; T315-Q318 WeakPolarHBondContact O-CB 3.22Å; T315-Q318 PolarHBondContact O-N 3Å; T315-E319 HydrophobicContact CG2-CG 4.38Å; T315-E319 WeakPolarHBondContact O-CG 3.28Å; T315-E319 PolarHBondContact O-N 2.97Å
316K93.9Very high93.6Very high101 Ų10154.1 Ų54.144%0.43930%0.296SS..Hα-helixtrans-58.6-40.4175-66.9168.7-168.6172.80112.5A312 E313 V314 Q318 E319 Y320 F443A312-K316 WeakPolarHBondContact O-CG 3.44Å; A312-K316 PolarHBondContact O-N 2.96Å; E313-K316 PolarHBondContact O-N 3.42Å; E313-K316 IonicContact OE1-NZ 3.24Å; E313-K316 PolarHBondContact OE1-NZ 3.43Å; V314-K316 PolarHBondContact O-N 3.17Å; K316-Q318 VanDerWaalsContact C-N 3.32Å; K316-E319 PolarHBondContact O-N 3.37Å; K316-Y320 WeakPolarHBondContact O-CB 3.43Å; K316-Y320 PolarHBondContact O-N 3.16Å; K316-F443 HydrophobicContact CB-CZ 4.04Å
317A93.1Very high93.6Very high0 Ų057.7 Ų57.70%031%0.307CS..Hα-helixtrans-65-35.117500000112.7E313 V314 T315 L321 L380 F443 L445E313-A317 PolarHBondContact O-N 3.33Å; E313-A317 VanDerWaalsContact O-N 3.15Å; V314-A317 WeakPolarHBondContact O-CB 3.42Å; V314-A317 PolarHBondContact O-N 2.87Å; V314-A317 VanDerWaalsContact O-N 3.14Å; T315-A317 VanDerWaalsContact C-N 3.3Å; T315-A317 PolarHBondContact O-N 3.04Å; A317-L321 WeakPolarHBondContact O-CB 3.47Å; A317-L321 PolarHBondContact O-N 3.37Å; A317-L380 HydrophobicContact CB-CD1 3.98Å; A317-F443 HydrophobicContact CB-CD1 3.77Å; A317-F443 HydrophobicContact CB-CE1 3.77Å; A317-F443 HydrophobicContact CB-CG 4.29Å; A317-F443 HydrophobicContact CB-CZ 4.26Å; A317-L445 HydrophobicContact CB-CD2 4.39Å
318Q95.3Very high93.4Very high17 Ų1754.3 Ų54.38%0.07929%0.291CS..Hα-helixtrans-73.6-40.6176-68.9178.9-23.300112.4V314 T315 K316 Y320 L321 V322 L332 V333 V427V314-Q318 HydrophobicContact CG1-CG 4.31Å; V314-Q318 WeakPolarHBondContact O-CG 3.39Å; V314-Q318 PolarHBondContact O-N 3.49Å; T315-Q318 CarbonylContact O-C 3.32Å; T315-Q318 WeakPolarHBondContact O-CA 3.45Å; T315-Q318 WeakPolarHBondContact O-CB 3.22Å; T315-Q318 PolarHBondContact O-N 3Å; K316-Q318 VanDerWaalsContact C-N 3.32Å; Q318-Y320 VanDerWaalsContact C-N 3.33Å; Q318-L321 WeakPolarHBondContact O-CB 3.23Å; Q318-L321 PolarHBondContact O-N 2.9Å; Q318-V322 WeakPolarHBondContact O-CG2 3.41Å; Q318-V322 PolarHBondContact O-N 3.39Å; Q318-L332 HydrophobicContact CB-CD1 4.07Å; Q318-L332 HydrophobicContact CB-CD2 3.94Å; Q318-L332 HydrophobicContact CG-CD2 3.98Å; Q318-V333 PolarHBondContact NE2-O 3.49Å; Q318-V427 HydrophobicContact CG-CG1 3.6Å; Q318-V427 PolarHBondContact NE2-O 2.93Å
319E94.9Very high93.3Very high120 Ų12051.9 Ų51.956%0.56128%0.279SS*.Hα-helixtrans-59.1-45171.5-71.3169.6167.800110.9T315 K316 V322 H323T315-E319 HydrophobicContact CG2-CG 4.38Å; T315-E319 WeakPolarHBondContact O-CG 3.28Å; T315-E319 PolarHBondContact O-N 2.97Å; K316-E319 PolarHBondContact O-N 3.37Å; E319-V322 PolarHBondContact O-N 2.96Å; E319-H323 WeakPolarHBondContact O-CB 3.29Å; E319-H323 PolarHBondContact O-N 3.3Å
320Y94Very high93.1Very high100 Ų10058.1 Ų58.139%0.39231%0.308SS..Hα-helixtrans-64-40.7174.9-175.3-111.5000112.6K316 Q318 V322 H323 V324 L441 F443K316-Y320 WeakPolarHBondContact O-CB 3.43Å; K316-Y320 PolarHBondContact O-N 3.16Å; Q318-Y320 VanDerWaalsContact C-N 3.33Å; Y320-V322 PolarHBondContact O-N 3.25Å; Y320-H323 PolarHBondContact O-N 2.63Å; Y320-V324 HydrophobicContact CD2-CG2 4.38Å; Y320-V324 HydrophobicContact CE1-CG2 4.14Å; Y320-V324 HydrophobicContact CE2-CG2 3.97Å; Y320-V324 WeakPolarHBondContact O-CG2 3.35Å; Y320-V324 PolarHBondContact O-N 2.8Å; Y320-L441 HydrophobicContact CD1-CD1 4.43Å; Y320-L441 HydrophobicContact CD1-CD2 4.16Å; Y320-L441 HydrophobicContact CE1-CD2 3.94Å; Y320-F443 HydrophobicContact CD1-CB 4.25Å; Y320-F443 AromaticContact CD1-CD2 3.69Å; Y320-F443 HydrophobicContact CD1-CD2 3.69Å; Y320-F443 HydrophobicContact CD1-CG 4.39Å; Y320-F443 HydrophobicContact CE1-CD2 4.36Å; Y320-F443 AromaticContact CG-CD2 3.96Å; Y320-F443 HydrophobicContact CG-CD2 3.96Å; Y320-F443 HydrophobicContact CG-CE2 4.42Å
321L93.3Very high93Very high0 Ų060.2 Ų60.20%032%0.317CS..Hα-helixtrans-58.7-44.7172.2172.357.4000111.9A317 Q318 V324 A325 C328 L332 L388 A428 L438 P439 L441A317-L321 WeakPolarHBondContact O-CB 3.47Å; A317-L321 PolarHBondContact O-N 3.37Å; Q318-L321 WeakPolarHBondContact O-CB 3.23Å; Q318-L321 PolarHBondContact O-N 2.9Å; L321-V324 PolarHBondContact O-N 3.08Å; L321-A325 PolarHBondContact O-N 2.86Å; L321-C328 HydrophobicContact CD1-CB 3.96Å; L321-C328 HydrophobicContact CD2-CB 4.28Å; L321-C328 HydrophobicContact CG-CB 3.97Å; L321-L332 HydrophobicContact CD2-CD2 3.68Å; L321-L332 HydrophobicContact CG-CD2 4.37Å; L321-L388 HydrophobicContact CD2-CD2 3.99Å; L321-A428 HydrophobicContact CD2-CB 3.58Å; L321-L438 HydrophobicContact CD2-CD2 4.4Å; L321-P439 HydrophobicContact CD1-CG 3.72Å; L321-L441 HydrophobicContact CB-CD1 3.62Å; L321-L441 HydrophobicContact CD1-CD1 3.8Å; L321-L441 HydrophobicContact CD1-CG 4.48Å; L321-L441 HydrophobicContact CG-CD1 4.19Å
322V94.6Very high92.9Very high44 Ų4460.2 Ų60.227%0.26732%0.318SS..Hα-helixtrans-69.2-35.7178.3172.50000111.6Q318 E319 Y320 A325 P326 A329 L332Q318-V322 WeakPolarHBondContact O-CG2 3.41Å; Q318-V322 PolarHBondContact O-N 3.39Å; E319-V322 PolarHBondContact O-N 2.96Å; Y320-V322 PolarHBondContact O-N 3.25Å; V322-A325 CarbonylContact O-C 3.41Å; V322-P326 WeakPolarHBondContact O-CA 3.35Å; V322-P326 VanDerWaalsContact O-CD 3.31Å; V322-P326 WeakPolarHBondContact O-CD 3.41Å; V322-P326 WeakPolarHBondContact O-CG 3.44Å; V322-P326 VanDerWaalsContact O-N 3.07Å; V322-A329 HydrophobicContact CG1-CB 4.27Å; V322-A329 HydrophobicContact CG2-CB 3.81Å; V322-L332 HydrophobicContact CG2-CD1 3.84Å; V322-L332 HydrophobicContact CG2-CD2 4.34Å; V322-L332 HydrophobicContact CG2-CG 4.43Å
323H94.2Very high92.8Very high154 Ų15459.2 Ų59.271%0.71331%0.307SS*.Hα-helixtrans-63.6-44.2174.3-175.578.8000112.2E319 Y320E319-H323 WeakPolarHBondContact O-CB 3.29Å; E319-H323 PolarHBondContact O-N 3.3Å; Y320-H323 PolarHBondContact O-N 2.63Å
324V93.3Very high92.6Very high72 Ų7261.2 Ų61.244%0.43632%0.322SS..Hα-helixtrans-74.8-35.2178.8173.90000112.2Y320 L321 L441Y320-V324 HydrophobicContact CD2-CG2 4.38Å; Y320-V324 HydrophobicContact CE1-CG2 4.14Å; Y320-V324 HydrophobicContact CE2-CG2 3.97Å; Y320-V324 WeakPolarHBondContact O-CG2 3.35Å; Y320-V324 PolarHBondContact O-N 2.8Å; L321-V324 PolarHBondContact O-N 3.08Å; V324-L441 HydrophobicContact CB-CD2 4.18Å; V324-L441 HydrophobicContact CG1-CD2 4.1Å; V324-L441 HydrophobicContact CG2-CD2 4.26Å
325A91.9Very high92.4Very high20 Ų2063.4 Ų63.417%0.16534%0.337CS..  trans-144.782.3-177.300000111.9L321 V322 H327 C328 P439L321-A325 PolarHBondContact O-N 2.86Å; V322-A325 CarbonylContact O-C 3.41Å; A325-H327 PolarHBondContact O-N 2.93Å; A325-C328 VanDerWaalsContact O-CB 3.25Å; A325-C328 WeakPolarHBondContact O-CB 3.25Å; A325-C328 PolarHBondContact O-N 3.08Å; A325-C328 PolarHBondContact O-SG 3.28Å; A325-P439 HydrophobicContact CB-CG 3.97Å
326P92.4Very high92Very high83 Ų8366.9 Ų66.954%0.53935%0.35SS..G310 helixtrans-54.5-32.6-174.3-29.735.2000115V322 C328 A329V322-P326 WeakPolarHBondContact O-CA 3.35Å; V322-P326 VanDerWaalsContact O-CD 3.31Å; V322-P326 WeakPolarHBondContact O-CD 3.41Å; V322-P326 WeakPolarHBondContact O-CG 3.44Å; V322-P326 VanDerWaalsContact O-N 3.07Å; P326-C328 PolarHBondContact O-N 3.41Å; P326-A329 WeakPolarHBondContact O-CB 3.13Å; P326-A329 PolarHBondContact O-N 3.08Å; P326-A329 VanDerWaalsContact O-N 3.14Å
327H90.7Very high91.8Very high152 Ų15263.4 Ų63.470%0.70434%0.336SS*.G310 helixtrans-58.8-14.9174.8-53.1103.1000114.2A325A325-H327 PolarHBondContact O-N 2.93Å
328C89.6Confident91.8Very high2 Ų263.5 Ų63.51%0.01434%0.336CS..G310 helixtrans-83.5-11.6178.7-59.10000114.1L321 A325 P326 N330 F331 L438L321-C328 HydrophobicContact CD1-CB 3.96Å; L321-C328 HydrophobicContact CD2-CB 4.28Å; L321-C328 HydrophobicContact CG-CB 3.97Å; A325-C328 VanDerWaalsContact O-CB 3.25Å; A325-C328 WeakPolarHBondContact O-CB 3.25Å; A325-C328 PolarHBondContact O-N 3.08Å; A325-C328 PolarHBondContact O-SG 3.28Å; P326-C328 PolarHBondContact O-N 3.41Å; C328-N330 VanDerWaalsContact C-N 3.26Å; C328-N330 PolarHBondContact O-N 3.47Å; C328-F331 PolarHBondContact O-N 2.91Å; C328-L438 HydrophobicContact CB-CD2 4.09Å
329A90.3Very high91.8Very high43 Ų4364.4 Ų64.436%0.35534%0.341SS..G310 helixtrans-56.4-36-17400000114V322 P326 F331 L332V322-A329 HydrophobicContact CG1-CB 4.27Å; V322-A329 HydrophobicContact CG2-CB 3.81Å; P326-A329 WeakPolarHBondContact O-CB 3.13Å; P326-A329 PolarHBondContact O-N 3.08Å; P326-A329 VanDerWaalsContact O-N 3.14Å; A329-F331 PolarHBondContact O-N 2.99Å; A329-L332 WeakPolarHBondContact O-CG 3.45Å
330N89.4Confident91.7Very high152 Ų15258.7 Ų58.781%0.81331%0.314SS*.G310 helixtrans-75.4-0.4178.4-64.2-25.8000114.1C328C328-N330 VanDerWaalsContact C-N 3.26Å; C328-N330 PolarHBondContact O-N 3.47Å
331F90.6Very high91.7Very high44 Ų4455.4 Ų55.419%0.19330%0.304CS..G310 helixtrans-121.49.5-176.4-54.9-66.6000113.1C328 A329 A428 K429 V430 V436C328-F331 PolarHBondContact O-N 2.91Å; A329-F331 PolarHBondContact O-N 2.99Å; F331-A428 CarbonylContact O-C 3.56Å; F331-A428 VanDerWaalsContact O-CA 3.27Å; F331-A428 WeakPolarHBondContact O-CA 3.23Å; F331-A428 WeakPolarHBondContact O-CB 2.97Å; F331-K429 PolarHBondContact O-N 3.39Å; F331-V430 HydrophobicContact CB-CG2 3.86Å; F331-V430 HydrophobicContact CD1-CB 4.37Å; F331-V430 HydrophobicContact CD1-CG1 4.2Å; F331-V430 HydrophobicContact CD1-CG2 4.29Å; F331-V430 HydrophobicContact CD2-CG1 4.48Å; F331-V430 HydrophobicContact CD2-CG2 3.86Å; F331-V430 HydrophobicContact CE1-CG1 4.12Å; F331-V430 HydrophobicContact CE2-CG1 4.42Å; F331-V430 HydrophobicContact CG-CB 4.31Å; F331-V430 HydrophobicContact CG-CG1 4.37Å; F331-V430 HydrophobicContact CG-CG2 3.73Å; F331-V430 HydrophobicContact CZ-CG1 4.23Å; F331-V436 HydrophobicContact CD2-CG1 4.25Å; F331-V436 HydrophobicContact CE2-CB 3.94Å; F331-V436 HydrophobicContact CE2-CG1 3.93Å; F331-V436 HydrophobicContact CE2-CG2 4.01Å; F331-V436 HydrophobicContact CZ-CG2 4.48Å
332L92.6Very high91.7Very high49 Ų4955.4 Ų55.426%0.25730%0.304SS..BIsolated β-bridgetrans-68.4147.9171.9-56.9179.5000110.8Q318 L321 V322 A329 P334 A428Q318-L332 HydrophobicContact CB-CD1 4.07Å; Q318-L332 HydrophobicContact CB-CD2 3.94Å; Q318-L332 HydrophobicContact CG-CD2 3.98Å; L321-L332 HydrophobicContact CD2-CD2 3.68Å; L321-L332 HydrophobicContact CG-CD2 4.37Å; V322-L332 HydrophobicContact CG2-CD1 3.84Å; V322-L332 HydrophobicContact CG2-CD2 4.34Å; V322-L332 HydrophobicContact CG2-CG 4.43Å; A329-L332 WeakPolarHBondContact O-CG 3.45Å; L332-P334 WeakPolarHBondContact O-CD 3.43Å; L332-A428 HydrophobicContact CD2-CB 4.25Å
333V91.3Very high91.6Very high23 Ų2353.3 Ų53.314%0.13929%0.292CS..PPolyproline II helixtrans-86.7119.6169.6-179.50000108.9Q318 N337 L338 T426 V427Q318-V333 PolarHBondContact NE2-O 3.49Å; V333-N337 HydrophobicContact CG1-CB 3.95Å; V333-L338 HydrophobicContact CB-CD2 4.12Å; V333-L338 HydrophobicContact CG1-CD2 3.89Å; V333-T426 HydrophobicContact CG2-CG2 3.78Å; V333-V427 PolarHBondContact N-O 3.5Å
334P90.4Very high91.5Very high58 Ų5848.1 Ų48.138%0.37727%0.269SS..PPolyproline II helixtrans-57.6147.1176.7-25.134.9000112.1L332 Q336 N337 L338L332-P334 WeakPolarHBondContact O-CD 3.43Å; P334-Q336 VanDerWaalsContact C-N 3.29Å; P334-Q336 PolarHBondContact O-N 2.98Å; P334-N337 HydrophobicContact CB-CB 4.48Å; P334-N337 CarbonylContact O-C 3.58Å; P334-N337 WeakPolarHBondContact O-CA 3.23Å; P334-N337 WeakPolarHBondContact O-CB 3.38Å; P334-N337 PolarHBondContact O-N 3.3Å; P334-L338 PolarHBondContact O-N 2.96Å
335S89.1Confident91.4Very high46 Ų4644.8 Ų44.832%0.32225%0.249SC..G310 helixtrans-56.4-40-174.453.30000113.3N337 L338S335-N337 PolarHBondContact O-N 3.32Å; S335-L338 WeakPolarHBondContact O-CB 3.41Å; S335-L338 WeakPolarHBondContact O-CG 3.11Å; S335-L338 PolarHBondContact O-N 2.98Å
336Q87.5Confident91.3Very high124 Ų12448.3 Ų48.358%0.57926%0.258SS*.G310 helixtrans-66.8-15175.573.6-82.328.100114.4P334P334-Q336 VanDerWaalsContact C-N 3.29Å; P334-Q336 PolarHBondContact O-N 2.98Å
337N89.8Confident91.2Very high29 Ų2944.7 Ų44.716%0.15523%0.234CC..G310 helixtrans-103.35.8177.6-68.4-16.3000112.4V333 P334 S335 H339 F469V333-N337 HydrophobicContact CG1-CB 3.95Å; P334-N337 HydrophobicContact CB-CB 4.48Å; P334-N337 CarbonylContact O-C 3.58Å; P334-N337 WeakPolarHBondContact O-CA 3.23Å; P334-N337 WeakPolarHBondContact O-CB 3.38Å; P334-N337 PolarHBondContact O-N 3.3Å; S335-N337 PolarHBondContact O-N 3.32Å; N337-H339 PolarHBondContact O-N 3.04Å; N337-H339 PolarHBondContact O-ND1 2.87Å; N337-F469 HydrophobicContact CB-CE1 3.92Å
338L93.1Very high90.8Very high1 Ų141.8 Ų41.81%0.00524%0.236CC..  trans-72.1119.9178.2-69.3175.1000110.9V305 Q311 V314 V333 P334 S335 L425 T426V305-L338 HydrophobicContact CB-CB 3.84Å; V305-L338 HydrophobicContact CG1-CB 4.46Å; V305-L338 HydrophobicContact CG2-CB 4.09Å; V305-L338 PolarHBondContact N-O 3.11Å; Q311-L338 HydrophobicContact CG-CD1 4.44Å; V314-L338 HydrophobicContact CB-CD1 4.05Å; V314-L338 HydrophobicContact CG1-CD1 3.74Å; V314-L338 HydrophobicContact CG1-CD2 3.95Å; V314-L338 HydrophobicContact CG2-CD1 4.41Å; V333-L338 HydrophobicContact CB-CD2 4.12Å; V333-L338 HydrophobicContact CG1-CD2 3.89Å; P334-L338 PolarHBondContact O-N 2.96Å; S335-L338 WeakPolarHBondContact O-CB 3.41Å; S335-L338 WeakPolarHBondContact O-CG 3.11Å; S335-L338 PolarHBondContact O-N 2.98Å; L338-L425 HydrophobicContact CB-CD1 4.01Å; L338-L425 HydrophobicContact CD2-CD1 4.02Å; L338-T426 WeakPolarHBondContact CD2-O 3.49Å
339H94.3Very high90.4Very high37 Ų3743 Ų4317%0.17125%0.249CC..EExtended strand (participates in β ladder)trans-153.8164.7-176.866.8-81000111.7F300 A302 L303 M304 N337 F469F300-H339 AromaticContact CE2-CD2 3.5Å; F300-H339 VanDerWaalsContact CE2-CD2 3.5Å; F300-H339 WeakPolarHBondContact CE2-CD2 3.5Å; F300-H339 AromaticContact CE2-NE2 3.65Å; A302-H339 HydrophobicContact CB-CB 4.17Å; L303-H339 CarbonylContact O-C 3.52Å; L303-H339 VanDerWaalsContact O-CA 3.23Å; L303-H339 WeakPolarHBondContact O-CA 3.5Å; L303-H339 WeakPolarHBondContact O-CB 3.43Å; M304-H339 HydrophobicContact SD-CB 3.97Å; N337-H339 PolarHBondContact O-N 3.04Å; N337-H339 PolarHBondContact O-ND1 2.87Å; H339-F469 AromaticContact CE1-CE1 3.81Å; H339-F469 AromaticContact ND1-CE1 3.46Å; H339-F469 WeakPolarHBondContact ND1-CE1 3.44Å; H339-F469 AromaticContact ND1-CZ 3.9Å
340L93.8Very high90.2Very high0 Ų044.3 Ų44.30%026%0.26CS..EExtended strand (participates in β ladder)trans-117.2115.5169.2-71.981.7000109.4A302 L303 V305 L375 F377 P392 L396 L425A302-L340 CarbonylContact C-O 3.5Å; A302-L340 WeakPolarHBondContact CA-O 3.46Å; A302-L340 WeakPolarHBondContact CB-O 3.41Å; L303-L340 HydrophobicContact CB-CB 4.47Å; L303-L340 HydrophobicContact CD2-CD1 4.49Å; L303-L340 PolarHBondContact N-O 2.71Å; L303-L340 PolarHBondContact O-N 2.78Å; V305-L340 HydrophobicContact CG2-CD1 4.23Å; L340-L375 HydrophobicContact CD2-CD1 4.19Å; L340-F377 HydrophobicContact CD1-CE1 4.28Å; L340-F377 HydrophobicContact CD1-CZ 3.76Å; L340-F377 HydrophobicContact CD2-CE1 3.91Å; L340-F377 HydrophobicContact CD2-CZ 3.76Å; L340-F377 HydrophobicContact CG-CZ 4.32Å; L340-P392 HydrophobicContact CD2-CB 4.05Å; L340-P392 HydrophobicContact CD2-CG 3.94Å; L340-L396 HydrophobicContact CD2-CD1 4.4Å; L340-L425 HydrophobicContact CD1-CB 4.02Å; L340-L425 HydrophobicContact CD1-CD1 4.32Å; L340-L425 HydrophobicContact CG-CB 4.29Å
341T93.6Very high90.1Very high31 Ų3140 Ų4019%0.1925%0.251CS..EExtended strand (participates in β ladder)trans-71.8131174.8-60.10000111.3F300 L344 L421 P423F300-T341 HydrophobicContact CB-CG2 4.29Å; T341-L344 HydrophobicContact CG2-CD2 3.9Å; T341-L344 HydrophobicContact CG2-CG 4.06Å; T341-L421 WeakPolarHBondContact O-CD2 3.45Å; T341-P423 WeakPolarHBondContact O-CB 3.47Å
342L92.8Very high90.1Very high0 Ų042.3 Ų42.30%026%0.263CS..EExtended strand (participates in β ladder)trans-114.2-26.1177.3-58-178.5000113.5V301 L396 A400 L403 L421 P423 L457V301-L342 PolarHBondContact O-N 3.2Å; L342-L396 HydrophobicContact CD2-CB 4.12Å; L342-L396 HydrophobicContact CD2-CD1 3.79Å; L342-A400 WeakPolarHBondContact O-CB 3.32Å; L342-L403 HydrophobicContact CB-CD2 4.13Å; L342-L421 VanDerWaalsContact C-CD2 3.46Å; L342-L421 VanDerWaalsContact O-CD2 3.26Å; L342-L421 WeakPolarHBondContact O-CD2 3.42Å; L342-P423 HydrophobicContact CD2-CB 3.78Å; L342-P423 HydrophobicContact CD2-CG 3.73Å; L342-L457 HydrophobicContact CD1-CD1 3.91Å; L342-L457 HydrophobicContact CD1-CD2 3.51Å; L342-L457 HydrophobicContact CD1-CG 4.39Å
343A92.8Very high90.2Very high0 Ų040.9 Ų40.90%025%0.254CS..EExtended strand (participates in β ladder)trans-148.4151.1172.500000110.7F300 V301 L407F300-A343 CarbonylContact C-O 3.48Å; F300-A343 VanDerWaalsContact CA-O 3.24Å; F300-A343 WeakPolarHBondContact CA-O 3.22Å; F300-A343 WeakPolarHBondContact CB-O 3.38Å; V301-A343 HydrophobicContact CB-CB 4.05Å; V301-A343 HydrophobicContact CG2-CB 4.09Å; V301-A343 PolarHBondContact N-O 2.92Å; V301-A343 PolarHBondContact O-N 2.92Å; A343-L407 HydrophobicContact CB-CD1 4.04Å
344L92Very high90.2Very high45 Ų4542.7 Ų42.724%0.23627%0.272CS..EExtended strand (participates in β ladder)trans-120127.6175.5-72.3172000108.7P297 F300 T341 T414 L415 Q416P297-L344 HydrophobicContact CB-CB 4.26Å; P297-L344 HydrophobicContact CB-CD2 4.09Å; P297-L344 HydrophobicContact CG-CD2 4.17Å; F300-L344 HydrophobicContact CB-CD2 3.9Å; T341-L344 HydrophobicContact CG2-CD2 3.9Å; T341-L344 HydrophobicContact CG2-CG 4.06Å; L344-T414 WeakPolarHBondContact O-CA 3.13Å; L344-L415 HydrophobicContact CB-CB 4.34Å; L344-L415 PolarHBondContact O-N 3.31Å; L344-Q416 HydrophobicContact CB-CG 4.11Å; L344-Q416 HydrophobicContact CD1-CG 4.45Å
345L91.8Very high90.3Very high1 Ų142.6 Ų42.61%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-126.3148-169.2-62.6175.9000111.9T298 H299 V301 L347 L407 L412 T414 L459T298-L345 PolarHBondContact N-O 2.8Å; T298-L345 PolarHBondContact OG1-O 3.17Å; T298-L345 VanDerWaalsContact OG1-O 3.13Å; H299-L345 HydrophobicContact CB-CB 4.07Å; H299-L345 PolarHBondContact N-O 2.83Å; H299-L345 PolarHBondContact O-N 2.94Å; H299-L345 VanDerWaalsContact O-O 3.13Å; V301-L345 HydrophobicContact CG2-CD1 4.03Å; L345-L347 HydrophobicContact CB-CG 4.39Å; L345-L407 HydrophobicContact CD2-CD1 4.39Å; L345-L412 HydrophobicContact CD2-CB 4.42Å; L345-T414 HydrophobicContact CD2-CG2 3.92Å; L345-L459 HydrophobicContact CD1-CD1 3.9Å
346R89.3Confident90.6Very high94 Ų9440.4 Ų40.436%0.35526%0.261SS..  trans-109.9114165.4-166.9166.3172.8129.2-30.8109.4D107 P295 T298 S413 L415D107-R346 IonicContact OD2-CZ 2.76Å; D107-R346 IonicContact OD2-NH1 3.71Å; D107-R346 IonicContact OD2-NH2 2.76Å; D107-R346 PolarHBondContact OD2-NH2 3.45Å; P295-R346 VanDerWaalsContact CB-NH1 3.27Å; T298-R346 HydrophobicContact CG2-CG 4.38Å; T298-R346 WeakPolarHBondContact OG1-CA 3.47Å; R346-S413 PolarHBondContact N-O 3.47Å; R346-S413 VanDerWaalsContact N-O 3.08Å; R346-L415 HydrophobicContact CB-CD1 4.04Å; R346-L415 HydrophobicContact CB-CD2 4.44Å; R346-L415 HydrophobicContact CB-CG 4.37Å
347L90Very high91Very high7 Ų736.2 Ų36.24%0.03724%0.242CC..  trans-127132.9176.1-47.5173.6000108.1T298 H299 L345 E352 E353 A356 L412T298-L347 PolarHBondContact OG1-N 2.79Å; T298-L347 PolarHBondContact OG1-O 2.93Å; H299-L347 HydrophobicContact CB-CD1 3.99Å; H299-L347 HydrophobicContact CB-CG 4.26Å; L345-L347 HydrophobicContact CB-CG 4.39Å; L347-E352 VanDerWaalsContact CA-OE2 3.27Å; L347-E352 WeakPolarHBondContact CA-OE2 3.36Å; L347-E352 HydrophobicContact CB-CB 4.04Å; L347-E352 HydrophobicContact CD2-CB 4.3Å; L347-E353 HydrophobicContact CB-CG 4.49Å; L347-E353 HydrophobicContact CD1-CG 4.12Å; L347-A356 HydrophobicContact CD1-CB 3.66Å; L347-A356 HydrophobicContact CD2-CB 4.03Å; L347-L412 HydrophobicContact CD2-CD2 4.19Å
348A83Confident91.2Very high91 Ų9135.9 Ų35.975%0.75225%0.246SC*.  trans-83.6-15.1-172.800000114.3E352A348-E352 PolarHBondContact N-OE2 3.14Å
349G81.8Confident91.2Very high27 Ų2736 Ų3628%0.27825%0.246SC..SBendtrans165.8-170.7175.100000114.1G351 E352 E353G349-G351 VanDerWaalsContact C-N 3.25Å; G349-G351 PolarHBondContact O-N 2.86Å; G349-E352 PolarHBondContact O-N 2.92Å; G349-E353 PolarHBondContact O-N 3.43Å
350A85.8Confident91.3Very high72 Ų7234.3 Ų34.360%0.59524%0.239SC*.Hα-helixtrans-53.5-31.3-168.300000115.9A354A350-A354 WeakPolarHBondContact O-CB 3.47Å; A350-A354 PolarHBondContact O-N 3.03Å
351G87.7Confident91.3Very high61 Ų6140.4 Ų40.463%0.62926%0.262SS*.Hα-helixtrans-67.8-42.6175.300000113.1G349 A355G349-G351 VanDerWaalsContact C-N 3.25Å; G349-G351 PolarHBondContact O-N 2.86Å; G351-A355 PolarHBondContact O-N 2.82Å
352E90.7Very high91.3Very high93 Ų9345 Ų4544%0.43528%0.276SS..Hα-helixtrans-73.6-30.3174.6-70.5179.2-160.500111.8L347 A348 G349 A355 A356L347-E352 VanDerWaalsContact CA-OE2 3.27Å; L347-E352 WeakPolarHBondContact CA-OE2 3.36Å; L347-E352 HydrophobicContact CB-CB 4.04Å; L347-E352 HydrophobicContact CD2-CB 4.3Å; A348-E352 PolarHBondContact N-OE2 3.14Å; G349-E352 PolarHBondContact O-N 2.92Å; E352-A355 PolarHBondContact O-N 3.34Å; E352-A356 WeakPolarHBondContact O-CB 3.44Å; E352-A356 PolarHBondContact O-N 2.66Å
353E93.7Very high91.2Very high18 Ų1845.2 Ų45.28%0.08428%0.277CS..Hα-helixtrans-63.5-46.3171.3-66.1166-171.600111.4H299 L347 G349 A355 A356 I357 R461 L472H299-E353 IonicContact CE1-OE1 2.71Å; H299-E353 PolarHBondContact CE1-OE1 2.81Å; H299-E353 VanDerWaalsContact CE1-OE1 3.24Å; H299-E353 IonicContact NE2-OE1 3.38Å; H299-E353 PolarHBondContact NE2-OE1 3.36Å; H299-E353 VanDerWaalsContact NE2-OE1 3.15Å; L347-E353 HydrophobicContact CB-CG 4.49Å; L347-E353 HydrophobicContact CD1-CG 4.12Å; G349-E353 PolarHBondContact O-N 3.43Å; E353-A355 PolarHBondContact O-N 3.06Å; E353-A356 PolarHBondContact O-N 3.17Å; E353-I357 VanDerWaalsContact O-CG1 3.29Å; E353-I357 WeakPolarHBondContact O-CG1 3.26Å; E353-I357 PolarHBondContact O-N 3.25Å; E353-R461 IonicContact OE1-CZ 2.66Å; E353-R461 IonicContact OE1-NE 2.69Å; E353-R461 PolarHBondContact OE1-NE 3.15Å; E353-R461 IonicContact OE1-NH2 2.81Å; E353-R461 PolarHBondContact OE1-NH2 3.28Å; E353-R461 IonicContact OE2-CZ 3.24Å; E353-R461 IonicContact OE2-NH2 3Å; E353-R461 PolarHBondContact OE2-NH2 3.24Å; E353-L472 HydrophobicContact CB-CD1 4.19Å; E353-L472 HydrophobicContact CG-CD1 3.88Å
354A92.4Very high91.2Very high62 Ų6245.9 Ų45.951%0.51228%0.281SS..Hα-helixtrans-62-42.2174.400000112.3A350 I357 G358A350-A354 WeakPolarHBondContact O-CB 3.47Å; A350-A354 PolarHBondContact O-N 3.03Å; A354-I357 PolarHBondContact O-N 3.49Å; A354-G358 PolarHBondContact O-N 3.44Å
355A92.4Very high91Very high55 Ų5549.2 Ų49.246%0.45530%0.298SS..Hα-helixtrans-62.1-42.917400000112G351 E352 E353 I357 G358 A359G351-A355 PolarHBondContact O-N 2.82Å; E352-A355 PolarHBondContact O-N 3.34Å; E353-A355 PolarHBondContact O-N 3.06Å; A355-I357 PolarHBondContact O-N 2.83Å; A355-G358 PolarHBondContact O-N 3.34Å; A355-A359 WeakPolarHBondContact O-CB 3.34Å; A355-A359 PolarHBondContact O-N 3.2Å
356A94.5Very high90.8Very high1 Ų151 Ų511%0.00831%0.313CS..Hα-helixtrans-66.1-35.4179.100000113L347 E352 E353 G358 L360 L412 L459L347-A356 HydrophobicContact CD1-CB 3.66Å; L347-A356 HydrophobicContact CD2-CB 4.03Å; E352-A356 WeakPolarHBondContact O-CB 3.44Å; E352-A356 PolarHBondContact O-N 2.66Å; E353-A356 PolarHBondContact O-N 3.17Å; A356-G358 VanDerWaalsContact C-N 3.34Å; A356-L360 WeakPolarHBondContact O-CB 3.17Å; A356-L360 PolarHBondContact O-N 3.43Å; A356-L412 HydrophobicContact CB-CD1 3.94Å; A356-L412 HydrophobicContact CB-CD2 4.1Å; A356-L459 HydrophobicContact CB-CD2 4.08Å
357I95.2Very high90.5Very high35 Ų3552.3 Ų52.318%0.17933%0.334CS..Hα-helixtrans-62.3-43.3171.8-65.9162.5000110.4E353 A354 A355 R361 L459 A473 I475E353-I357 VanDerWaalsContact O-CG1 3.29Å; E353-I357 WeakPolarHBondContact O-CG1 3.26Å; E353-I357 PolarHBondContact O-N 3.25Å; A354-I357 PolarHBondContact O-N 3.49Å; A355-I357 PolarHBondContact O-N 2.83Å; I357-R361 WeakPolarHBondContact O-CG 3.49Å; I357-R361 PolarHBondContact O-N 3.14Å; I357-R361 VanDerWaalsContact O-N 3.08Å; I357-L459 HydrophobicContact CD1-CD2 4.48Å; I357-L459 HydrophobicContact CG1-CD2 3.65Å; I357-A473 HydrophobicContact CD1-CB 3.73Å; I357-A473 HydrophobicContact CG1-CB 3.73Å; I357-A473 HydrophobicContact CG2-CB 4.01Å; I357-I475 HydrophobicContact CG2-CD1 4.38Å
358G94.2Very high90.1Very high23 Ų2354.5 Ų54.524%0.23736%0.358CS..Hα-helixtrans-66.1-44.9176.900000113.4A354 A355 A356 R361 R362A354-G358 PolarHBondContact O-N 3.44Å; A355-G358 PolarHBondContact O-N 3.34Å; A356-G358 VanDerWaalsContact C-N 3.34Å; G358-R361 PolarHBondContact O-N 3.19Å; G358-R362 PolarHBondContact O-N 2.92Å; G358-R362 VanDerWaalsContact O-N 3.17Å; G358-R362 PolarHBondContact O-NH1 3.19Å
359A94.2Very high90.2Very high2 Ų251.4 Ų51.42%0.01733%0.328CS..Hα-helixtrans-63.8-42.9176.100000112A355 R361 R362 A363 E410 L412A355-A359 WeakPolarHBondContact O-CB 3.34Å; A355-A359 PolarHBondContact O-N 3.2Å; A359-R361 PolarHBondContact O-N 2.99Å; A359-R362 PolarHBondContact O-N 2.6Å; A359-A363 VanDerWaalsContact O-CB 3.29Å; A359-A363 WeakPolarHBondContact O-CB 3.48Å; A359-A363 PolarHBondContact O-N 3.11Å; A359-E410 HydrophobicContact CB-CB 3.69Å; A359-E410 HydrophobicContact CB-CG 4.03Å; A359-L412 HydrophobicContact CB-CD1 3.93Å; A359-L412 HydrophobicContact CB-CG 4.35Å
360L94.9Very high90.3Very high2 Ų255.8 Ų55.81%0.0135%0.345CS..Hα-helixtrans-63-42.9176.8-178.953000111.3V301 A356 R362 A363 L364 L403 L407 L459 I475V301-L360 HydrophobicContact CB-CD2 4.47Å; V301-L360 HydrophobicContact CG1-CD1 4.14Å; V301-L360 HydrophobicContact CG1-CD2 3.8Å; V301-L360 HydrophobicContact CG2-CD1 4.4Å; V301-L360 HydrophobicContact CG2-CD2 3.8Å; A356-L360 WeakPolarHBondContact O-CB 3.17Å; A356-L360 PolarHBondContact O-N 3.43Å; L360-R362 PolarHBondContact O-N 2.78Å; L360-A363 PolarHBondContact O-N 3.14Å; L360-L364 HydrophobicContact CD1-CD1 4.13Å; L360-L364 HydrophobicContact CD1-CD2 4.18Å; L360-L364 HydrophobicContact CD1-CG 3.99Å; L360-L364 HydrophobicContact CG-CD1 4.37Å; L360-L364 VanDerWaalsContact O-CG 3.32Å; L360-L364 WeakPolarHBondContact O-CG 3.16Å; L360-L364 PolarHBondContact O-N 2.96Å; L360-L403 HydrophobicContact CD1-CD1 3.74Å; L360-L407 HydrophobicContact CB-CD2 4.14Å; L360-L407 HydrophobicContact CD1-CD2 4.14Å; L360-L459 HydrophobicContact CD2-CB 4.29Å; L360-I475 HydrophobicContact CB-CD1 3.86Å; L360-I475 HydrophobicContact CD2-CD1 3.59Å; L360-I475 HydrophobicContact CG-CD1 3.56Å
361R94.4Very high90.4Very high128 Ų12854.2 Ų54.248%0.48333%0.333SS..Hα-helixtrans-56-47172.5-75.8172.7179.1-174.8-1.3112.4I357 G358 A359 L364 L365 I475I357-R361 WeakPolarHBondContact O-CG 3.49Å; I357-R361 PolarHBondContact O-N 3.14Å; I357-R361 VanDerWaalsContact O-N 3.08Å; G358-R361 PolarHBondContact O-N 3.19Å; A359-R361 PolarHBondContact O-N 2.99Å; R361-L364 PolarHBondContact O-N 3.13Å; R361-L365 WeakPolarHBondContact O-CB 3.17Å; R361-L365 WeakPolarHBondContact O-CG 3.38Å; R361-L365 PolarHBondContact O-N 3.22Å; R361-L365 VanDerWaalsContact O-N 3.09Å; R361-I475 HydrophobicContact CG-CD1 3.98Å; R361-I475 HydrophobicContact CG-CG1 4.05Å; R361-I475 HydrophobicContact CG-CG2 3.66Å
362R92.9Very high90.5Very high129 Ų12952.4 Ų52.449%0.48731%0.31SS..Hα-helixtrans-64.7-41.1176.1-69.1-173-64-86.65.1112.6G358 A359 L360 L364 L365 A366 E410G358-R362 PolarHBondContact O-N 2.92Å; G358-R362 VanDerWaalsContact O-N 3.17Å; G358-R362 PolarHBondContact O-NH1 3.19Å; A359-R362 PolarHBondContact O-N 2.6Å; L360-R362 PolarHBondContact O-N 2.78Å; R362-L364 VanDerWaalsContact C-N 3.29Å; R362-L364 PolarHBondContact O-N 3Å; R362-L365 PolarHBondContact O-N 3.06Å; R362-A366 PolarHBondContact O-N 3.22Å; R362-E410 WeakPolarHBondContact CB-OE1 3.44Å; R362-E410 WeakPolarHBondContact CD-OE1 3.46Å; R362-E410 IonicContact CZ-OE1 2.73Å; R362-E410 IonicContact CZ-OE2 2.88Å; R362-E410 VanDerWaalsContact CZ-OE2 3.24Å; R362-E410 IonicContact NE-OE1 3.48Å; R362-E410 PolarHBondContact NE-OE1 3.32Å; R362-E410 IonicContact NE-OE2 2.71Å; R362-E410 PolarHBondContact NE-OE2 3.45Å; R362-E410 IonicContact NH2-OE1 3.1Å; R362-E410 IonicContact NH2-OE2 3.41Å; R362-E410 PolarHBondContact NH2-OE2 2.87Å
363A92.2Very high90.5Very high3 Ų353.5 Ų53.53%0.02533%0.325CS..Hα-helixtrans-65.1-29.2179.100000113.4A359 L360 L403 R406 L407A359-A363 VanDerWaalsContact O-CB 3.29Å; A359-A363 WeakPolarHBondContact O-CB 3.48Å; A359-A363 PolarHBondContact O-N 3.11Å; L360-A363 PolarHBondContact O-N 3.14Å; A363-L403 HydrophobicContact CB-CD1 4.21Å; A363-R406 HydrophobicContact CB-CB 3.67Å; A363-R406 WeakPolarHBondContact O-CD 3.3Å; A363-R406 PolarHBondContact O-NH1 3.37Å; A363-L407 HydrophobicContact CB-CD2 4.07Å
364L91.3Very high90.4Very high15 Ų1559.7 Ų59.78%0.07935%0.348CS..Hα-helixtrans-82.1-43.4174.7-60.2-178000112.2L360 R361 R362 A366 L369 L403 L457 I475 L477L360-L364 HydrophobicContact CD1-CD1 4.13Å; L360-L364 HydrophobicContact CD1-CD2 4.18Å; L360-L364 HydrophobicContact CD1-CG 3.99Å; L360-L364 HydrophobicContact CG-CD1 4.37Å; L360-L364 VanDerWaalsContact O-CG 3.32Å; L360-L364 WeakPolarHBondContact O-CG 3.16Å; L360-L364 PolarHBondContact O-N 2.96Å; R361-L364 PolarHBondContact O-N 3.13Å; R362-L364 VanDerWaalsContact C-N 3.29Å; R362-L364 PolarHBondContact O-N 3Å; L364-A366 PolarHBondContact O-N 3.29Å; L364-L369 HydrophobicContact CD2-CD2 3.4Å; L364-L403 HydrophobicContact CD2-CD1 3.81Å; L364-L457 HydrophobicContact CD1-CB 4.35Å; L364-L457 HydrophobicContact CD1-CD1 4.07Å; L364-L457 HydrophobicContact CD2-CD1 3.84Å; L364-I475 HydrophobicContact CD1-CB 4.4Å; L364-I475 HydrophobicContact CD1-CG2 3.8Å; L364-L477 HydrophobicContact CB-CD2 4.36Å; L364-L477 HydrophobicContact CD1-CD2 3.97Å; L364-L477 HydrophobicContact CD2-CD2 3.84Å; L364-L477 HydrophobicContact CG-CD2 4.25Å
365L89.6Confident90.5Very high115 Ų11556.8 Ų56.860%0.60232%0.324SS*.Hα-helixtrans-64.5-18.6178.2-72.2169.4000114.5R361 R362R361-L365 WeakPolarHBondContact O-CB 3.17Å; R361-L365 WeakPolarHBondContact O-CG 3.38Å; R361-L365 PolarHBondContact O-N 3.22Å; R361-L365 VanDerWaalsContact O-N 3.09Å; R362-L365 PolarHBondContact O-N 3.06Å
366A86.3Confident90.6Very high37 Ų3755.2 Ų55.231%0.30631%0.309SS..SBendtrans-70.2132.1177.400000111.5R362 L364 R406R362-A366 PolarHBondContact O-N 3.22Å; L364-A366 PolarHBondContact O-N 3.29Å; A366-R406 PolarHBondContact O-NH1 3.05Å; A366-R406 PolarHBondContact O-NH2 3.18Å
367P84.1Confident90.5Very high123 Ų12355.2 Ų55.280%0.79931%0.309SS*.THydrogen-bonded Turntrans-63.4154.2-174.326-35.5000112.7R406P367-R406 PolarHBondContact O-NH2 2.96Å
368G81.5Confident90.3Very high53 Ų5358.5 Ų58.555%0.54632%0.319SS..THydrogen-bonded Turntrans85.913.9177.600000115.7N370G368-N370 PolarHBondContact O-N 2.85Å
369L84.4Confident90.1Very high25 Ų2564.5 Ų64.513%0.13134%0.339CS..  trans-78.7104.2162.5-171.169.2000108.7L364 A371 M399 V402 L403 L477L364-L369 HydrophobicContact CD2-CD2 3.4Å; L369-A371 VanDerWaalsContact C-N 3.26Å; L369-A371 PolarHBondContact O-N 2.85Å; L369-M399 HydrophobicContact CD1-CG 3.68Å; L369-M399 HydrophobicContact CD2-CE 3.82Å; L369-M399 HydrophobicContact CG-CE 4.15Å; L369-M399 HydrophobicContact CG-CG 4Å; L369-V402 HydrophobicContact CD1-CB 4.29Å; L369-V402 HydrophobicContact CD1-CG1 3.95Å; L369-L403 HydrophobicContact CD1-CB 4.49Å; L369-L477 HydrophobicContact CD2-CD2 4.05Å
370N84.3Confident90Very high119 Ų11965.2 Ų65.264%0.63634%0.342SS*.  trans-75.974.8-177.6-67.2-44.6000111.6G368 P372G368-N370 PolarHBondContact O-N 2.85Å; N370-P372 WeakPolarHBondContact O-CD 3.48Å
371A86.9Confident89.8Confident40 Ų4067.8 Ų67.833%0.33136%0.358SS..  trans-82.3113.4174.900000110.8L369 M399 L454 L477L369-A371 VanDerWaalsContact C-N 3.26Å; L369-A371 PolarHBondContact O-N 2.85Å; A371-M399 HydrophobicContact CB-CE 3.89Å; A371-M399 HydrophobicContact CB-SD 4.18Å; A371-L454 HydrophobicContact CB-CD2 4.03Å; A371-L477 HydrophobicContact CB-CD1 4.41Å
372P90.9Very high89.7Confident23 Ų2364.2 Ų64.215%0.14935%0.348CS..  trans-71.4134.6173.929.1-35.8000110.7N370 R374 L375 P394 L396 L454N370-P372 WeakPolarHBondContact O-CD 3.48Å; P372-R374 PolarHBondContact O-N 2.95Å; P372-R374 VanDerWaalsContact O-N 3.14Å; P372-L375 HydrophobicContact CG-CD2 3.71Å; P372-P394 HydrophobicContact CB-CG 3.48Å; P372-P394 VanDerWaalsContact CB-CG 3.48Å; P372-P394 HydrophobicContact CG-CG 3.82Å; P372-L396 HydrophobicContact CG-CD2 3.55Å; P372-L454 HydrophobicContact CG-CD2 4.05Å; P372-L454 WeakPolarHBondContact O-CB 3.22Å; P372-L454 WeakPolarHBondContact O-CD2 3.5Å
373P90.1Very high89.3Confident115 Ų11562 Ų6275%0.74735%0.345SS*.SBendtrans-65.3-25.5-170.925.3-35.5000114L454P373-L454 PolarHBondContact O-N 3.1Å
374R92.8Very high88.9Confident149 Ų14963.9 Ų63.956%0.56237%0.365SS*.EExtended strand (participates in β ladder)trans-147.1138.5177.5-160.2174.373.5151.43.3111P372 C451 Q452P372-R374 PolarHBondContact O-N 2.95Å; P372-R374 VanDerWaalsContact O-N 3.14Å; R374-C451 HydrophobicContact CG-CB 4.29Å; R374-C451 VanDerWaalsContact CZ-SG 3.5Å; R374-Q452 WeakPolarHBondContact CA-O 3.48Å; R374-Q452 WeakPolarHBondContact CG-O 3.31Å
375L94Very high88.5Confident1 Ų166.1 Ų66.11%0.00538%0.38CS..EExtended strand (participates in β ladder)trans-99.1153172-51.5177.6000110L303 L340 P372 F377 P392 L396 C451 Q452L303-L375 HydrophobicContact CD2-CD1 3.44Å; L303-L375 VanDerWaalsContact CD2-CD1 3.44Å; L340-L375 HydrophobicContact CD2-CD1 4.19Å; P372-L375 HydrophobicContact CG-CD2 3.71Å; L375-F377 HydrophobicContact CB-CE2 4.02Å; L375-F377 HydrophobicContact CB-CZ 4.19Å; L375-F377 HydrophobicContact CD1-CZ 4.15Å; L375-P392 HydrophobicContact CB-CB 4.43Å; L375-P392 HydrophobicContact CD1-CB 4.2Å; L375-P392 HydrophobicContact CD2-CB 4.3Å; L375-L396 HydrophobicContact CD1-CD1 3.82Å; L375-L396 HydrophobicContact CD2-CD1 4.18Å; L375-L396 HydrophobicContact CD2-CD2 4.01Å; L375-L396 HydrophobicContact CD2-CG 4.11Å; L375-C451 CarbonylContact O-C 3.57Å; L375-C451 VanDerWaalsContact O-CA 3.25Å; L375-C451 WeakPolarHBondContact O-CA 3.39Å; L375-Q452 PolarHBondContact N-O 2.82Å; L375-Q452 PolarHBondContact O-N 3.39Å
376S93.4Very high88.4Confident21 Ų2161.8 Ų61.815%0.14736%0.357CS..EExtended strand (participates in β ladder)trans-128.3143.3168.864.10000110.8S393 G450S376-S393 PolarHBondContact N-O 3.09Å; S376-S393 PolarHBondContact O-N 2.92Å; S376-S393 PolarHBondContact OG-O 2.82Å; S376-G450 WeakPolarHBondContact CA-O 3.49Å
377F93.9Very high88.6Confident1 Ų161 Ų610%0.00435%0.348CS..  trans-119134.5178.3-59.6-85.2000108.4L310 L340 L375 A390 P392 L425 L445 G450 Q452L310-F377 HydrophobicContact CD1-CB 4.11Å; L310-F377 HydrophobicContact CD1-CD2 3.8Å; L310-F377 HydrophobicContact CD1-CG 4.22Å; L310-F377 HydrophobicContact CD2-CD2 3.43Å; L310-F377 VanDerWaalsContact CD2-CD2 3.43Å; L310-F377 HydrophobicContact CD2-CE2 3.55Å; L310-F377 HydrophobicContact CD2-CG 4.47Å; L310-F377 HydrophobicContact CG-CD2 4.31Å; L340-F377 HydrophobicContact CD1-CE1 4.28Å; L340-F377 HydrophobicContact CD1-CZ 3.76Å; L340-F377 HydrophobicContact CD2-CE1 3.91Å; L340-F377 HydrophobicContact CD2-CZ 3.76Å; L340-F377 HydrophobicContact CG-CZ 4.32Å; L375-F377 HydrophobicContact CB-CE2 4.02Å; L375-F377 HydrophobicContact CB-CZ 4.19Å; L375-F377 HydrophobicContact CD1-CZ 4.15Å; F377-A390 HydrophobicContact CB-CB 4.04Å; F377-A390 HydrophobicContact CD1-CB 3.8Å; F377-A390 HydrophobicContact CG-CB 4.33Å; F377-P392 HydrophobicContact CE1-CB 3.7Å; F377-P392 HydrophobicContact CZ-CB 3.98Å; F377-L425 HydrophobicContact CD1-CB 4.05Å; F377-L425 HydrophobicContact CD1-CD2 4.19Å; F377-L425 HydrophobicContact CD2-CD2 4.32Å; F377-L425 HydrophobicContact CE1-CB 3.75Å; F377-L425 HydrophobicContact CE1-CD2 4.28Å; F377-L425 HydrophobicContact CE2-CD2 4.41Å; F377-L425 HydrophobicContact CG-CD2 4.21Å; F377-L425 HydrophobicContact CZ-CB 4.34Å; F377-L425 HydrophobicContact CZ-CD2 4.4Å; F377-L445 HydrophobicContact CB-CD1 3.69Å; F377-G450 PolarHBondContact N-O 2.95Å; F377-Q452 HydrophobicContact CE2-CB 4.12Å
378R89.6Confident89Confident104 Ų10455.2 Ų55.239%0.39231%0.311SS..  trans-130.8-73.5-172.8-65.6176.3-179-102.17.4112.1T444 L445 Q447R378-T444 CarbonylContact O-C 3.56Å; R378-T444 WeakPolarHBondContact O-CA 3.24Å; R378-L445 PolarHBondContact O-N 3.4Å; R378-Q447 VanDerWaalsContact CZ-OE1 3.25Å
379K90.1Very high89.6Confident150 Ų15052.8 Ų52.865%0.65229%0.286SS*.BIsolated β-bridgetrans-94.8140.3-175.6-65.7-178.1177.3-178.90110.3
380L91.8Very high90.1Very high16 Ų1651.6 Ų51.68%0.08428%0.279CS..  trans-78145165.5-54-175000110.1A317 L388 C389 A390 V427 F443 L445A317-L380 HydrophobicContact CB-CD1 3.98Å; L380-L388 HydrophobicContact CB-CD1 4.05Å; L380-L388 HydrophobicContact CD1-CD2 4.13Å; L380-L388 HydrophobicContact CD1-CG 4.47Å; L380-C389 CarbonylContact C-O 3.6Å; L380-C389 WeakPolarHBondContact CA-O 3.46Å; L380-A390 HydrophobicContact CD2-CB 4.12Å; L380-V427 HydrophobicContact CD2-CG2 4.18Å; L380-F443 HydrophobicContact CD1-CB 3.86Å; L380-F443 HydrophobicContact CD1-CD1 4.35Å; L380-F443 HydrophobicContact CD1-CG 4.42Å; L380-F443 HydrophobicContact CG-CB 4.36Å; L380-F443 PolarHBondContact N-O 3.36Å; L380-L445 HydrophobicContact CD2-CD1 4.19Å; L380-L445 HydrophobicContact CD2-CG 4.47Å
381V91.5Very high90.5Very high57 Ų5748.9 Ų48.935%0.34527%0.268SS..EExtended strand (participates in β ladder)trans-130.6138.2179.3-179.60000108.2L383 C389 P391V381-L383 HydrophobicContact CG1-CD2 4.17Å; V381-C389 PolarHBondContact N-O 3.01Å; V381-C389 PolarHBondContact O-N 3.28Å; V381-P391 HydrophobicContact CG2-CG 4.03Å
382L91.3Very high90.9Very high53 Ų5347.5 Ų47.528%0.27726%0.256SS..EExtended strand (participates in β ladder)trans-101.8107.8179.3179.463.2000109.2G384 L438 K440L382-G384 WeakPolarHBondContact CD1-O 3.35Å; L382-G384 VanDerWaalsContact CG-O 3.22Å; L382-G384 WeakPolarHBondContact CG-O 3.29Å; L382-G384 PolarHBondContact O-N 3.25Å; L382-L438 HydrophobicContact CD1-CB 3.8Å; L382-K440 HydrophobicContact CD2-CB 4.17Å
383L85.5Confident90.9Very high82 Ų8249.5 Ų49.543%0.42927%0.27SS..EExtended strand (participates in β ladder)trans-88.585.5179.2-62.2179.9000109.8V381 V387 C389V381-L383 HydrophobicContact CG1-CD2 4.17Å; L383-V387 HydrophobicContact CB-CB 4.24Å; L383-V387 PolarHBondContact N-O 3.1Å; L383-C389 VanDerWaalsContact CD1-SG 3.53Å
384G83.2Confident91.1Very high43 Ų4347 Ų4744%0.44325%0.254SS..G310 helixtrans62.9-175.2-168.400000112.1L382 H386L382-G384 WeakPolarHBondContact CD1-O 3.35Å; L382-G384 VanDerWaalsContact CG-O 3.22Å; L382-G384 WeakPolarHBondContact CG-O 3.29Å; L382-G384 PolarHBondContact O-N 3.25Å; G384-H386 PolarHBondContact O-N 3.49Å
385P83.9Confident91Very high61 Ų6143.6 Ų43.640%0.39625%0.25SC..G310 helixtrans-7411-172.631-36.1000114.6H437 L438P385-H437 HydrophobicContact CB-CB 4Å; P385-H437 VanDerWaalsContact O-CA 3.31Å; P385-H437 WeakPolarHBondContact O-CA 3.45Å; P385-L438 PolarHBondContact O-N 2.72Å
386H86.1Confident90.9Very high24 Ų2443.6 Ų43.611%0.11125%0.25CC..G310 helixtrans-126.4-23.4-165-70-63000116G384 K429 V430 H432 L438G384-H386 PolarHBondContact O-N 3.49Å; H386-K429 CarbonylContact O-C 3.52Å; H386-K429 WeakPolarHBondContact O-CA 3.46Å; H386-V430 PolarHBondContact O-N 3.36Å; H386-H432 AromaticContact CD2-CE1 3.45Å; H386-H432 PolarHBondContact CD2-CE1 3.03Å; H386-H432 VanDerWaalsContact CD2-CE1 3.45Å; H386-H432 AromaticContact CD2-ND1 3.1Å; H386-H432 PolarHBondContact CD2-ND1 3.43Å; H386-H432 AromaticContact CG-CE1 3.99Å; H386-H432 AromaticContact CG-ND1 3.72Å; H386-H432 AromaticContact NE2-ND1 3.36Å; H386-H432 PolarHBondContact NE2-ND1 3.08Å; H386-L438 WeakPolarHBondContact O-CD1 3.48Å
387V90.5Very high90.8Very high21 Ų2146.4 Ų46.413%0.12726%0.261CS..EExtended strand (participates in β ladder)trans-132.4118.8-174.6-178.10000110.5L383 T426 K429L383-V387 HydrophobicContact CB-CB 4.24Å; L383-V387 PolarHBondContact N-O 3.1Å; V387-T426 HydrophobicContact CG1-CG2 4.03Å; V387-K429 HydrophobicContact CG2-CD 4.46Å; V387-K429 HydrophobicContact CG2-CG 4.2Å
388L93.8Very high90.6Very high1 Ų149.6 Ų49.61%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-102.4126.4171.4-177.975.3000108.5L321 L380 V427 A428 L438 L441L321-L388 HydrophobicContact CD2-CD2 3.99Å; L380-L388 HydrophobicContact CB-CD1 4.05Å; L380-L388 HydrophobicContact CD1-CD2 4.13Å; L380-L388 HydrophobicContact CD1-CG 4.47Å; L388-V427 HydrophobicContact CD2-CB 4.47Å; L388-V427 HydrophobicContact CD2-CG1 4.29Å; L388-V427 PolarHBondContact O-N 2.73Å; L388-A428 HydrophobicContact CB-CB 4.31Å; L388-A428 PolarHBondContact N-O 3.45Å; L388-A428 PolarHBondContact O-N 2.98Å; L388-A428 VanDerWaalsContact O-N 3.17Å; L388-L438 HydrophobicContact CB-CD1 3.78Å; L388-L441 HydrophobicContact CD2-CD1 3.9Å
389C94Very high90.7Very high3 Ų344.7 Ų44.72%0.0227%0.265CS..EExtended strand (participates in β ladder)trans-146.3163.3-175.5650000113.1L380 V381 L383 H424 L425L380-C389 CarbonylContact C-O 3.6Å; L380-C389 WeakPolarHBondContact CA-O 3.46Å; V381-C389 PolarHBondContact N-O 3.01Å; V381-C389 PolarHBondContact O-N 3.28Å; L383-C389 VanDerWaalsContact CD1-SG 3.53Å; C389-H424 HydrophobicContact CB-CB 3.97Å; C389-H424 VanDerWaalsContact CB-CD2 3.46Å; C389-H424 WeakPolarHBondContact CB-CD2 3.44Å; C389-L425 CarbonylContact C-O 3.58Å; C389-L425 WeakPolarHBondContact CA-O 3.21Å; C389-L425 WeakPolarHBondContact CB-O 3.09Å
390A94.3Very high90.8Very high0 Ų037.6 Ų37.60%023%0.234CC..EExtended strand (participates in β ladder)trans-107123.2164.300000109.9F377 L380 L425 L445F377-A390 HydrophobicContact CB-CB 4.04Å; F377-A390 HydrophobicContact CD1-CB 3.8Å; F377-A390 HydrophobicContact CG-CB 4.33Å; L380-A390 HydrophobicContact CD2-CB 4.12Å; A390-L425 HydrophobicContact CB-CB 4.44Å; A390-L425 PolarHBondContact N-O 2.95Å; A390-L425 PolarHBondContact O-N 2.62Å; A390-L445 HydrophobicContact CB-CD1 4.01Å
391P93.1Very high90.8Very high61 Ų6140.4 Ų40.440%0.39625%0.246SC..  trans-71.5144169.230.3-33.3000110.4V381V381-P391 HydrophobicContact CG2-CG 4.03Å
392P94.3Very high90.8Very high12 Ų1239.3 Ų39.38%0.07824%0.24CC..  trans-73.8148.1174.931.9-34.8000111.4L340 L375 F377 P394 L396 P423L340-P392 HydrophobicContact CD2-CB 4.05Å; L340-P392 HydrophobicContact CD2-CG 3.94Å; L375-P392 HydrophobicContact CB-CB 4.43Å; L375-P392 HydrophobicContact CD1-CB 4.2Å; L375-P392 HydrophobicContact CD2-CB 4.3Å; F377-P392 HydrophobicContact CE1-CB 3.7Å; F377-P392 HydrophobicContact CZ-CB 3.98Å; P392-P394 CarbonylContact C-O 3.57Å; P392-P394 VanDerWaalsContact C-O 3.32Å; P392-P394 CarbonylContact O-C 3.49Å; P392-L396 HydrophobicContact CG-CG 4.42Å; P392-P423 WeakPolarHBondContact CD-O 3.45Å
393S92.6Very high90.8Very high64 Ų6436.8 Ų36.845%0.44823%0.227SC..BIsolated β-bridgetrans-126.2116.4168-1750000108.7S376S376-S393 PolarHBondContact N-O 3.09Å; S376-S393 PolarHBondContact O-N 2.92Å; S376-S393 PolarHBondContact OG-O 2.82Å
394P92.6Very high91.1Very high63 Ų6333.2 Ų33.241%0.40921%0.208SC..SBendcis-68.4165.8-031-36.9000113.9P372 P392P372-P394 HydrophobicContact CB-CG 3.48Å; P372-P394 VanDerWaalsContact CB-CG 3.48Å; P372-P394 HydrophobicContact CG-CG 3.82Å; P392-P394 CarbonylContact C-O 3.57Å; P392-P394 VanDerWaalsContact C-O 3.32Å; P392-P394 CarbonylContact O-C 3.49Å
395T91.6Very high91.5Very high78 Ų7835.2 Ų35.248%0.47921%0.206SC..  trans-69.8153.1176.8-175.90000112.1E397T395-E397 VanDerWaalsContact OG1-CD 3.31Å; T395-E397 WeakPolarHBondContact OG1-CG 3.27Å; T395-E397 PolarHBondContact OG1-N 2.91Å
396L92.3Very high91.9Very high0 Ų034.5 Ų34.50%020%0.196CC..  trans-110.66.3178.2-68.7-177.2000113.8L340 L342 P372 L375 P392 S398 M399 A400 P423 L454L340-L396 HydrophobicContact CD2-CD1 4.4Å; L342-L396 HydrophobicContact CD2-CB 4.12Å; L342-L396 HydrophobicContact CD2-CD1 3.79Å; P372-L396 HydrophobicContact CG-CD2 3.55Å; L375-L396 HydrophobicContact CD1-CD1 3.82Å; L375-L396 HydrophobicContact CD2-CD1 4.18Å; L375-L396 HydrophobicContact CD2-CD2 4.01Å; L375-L396 HydrophobicContact CD2-CG 4.11Å; P392-L396 HydrophobicContact CG-CG 4.42Å; L396-S398 PolarHBondContact O-N 2.81Å; L396-M399 HydrophobicContact CD2-CB 4.45Å; L396-M399 HydrophobicContact CD2-SD 3.92Å; L396-M399 WeakPolarHBondContact O-CB 3.33Å; L396-M399 PolarHBondContact O-N 3.18Å; L396-M399 VanDerWaalsContact O-N 3.13Å; L396-A400 WeakPolarHBondContact O-CB 3.33Å; L396-A400 PolarHBondContact O-N 2.93Å; L396-P423 HydrophobicContact CB-CB 4.06Å; L396-P423 HydrophobicContact CB-CG 3.87Å; L396-L454 HydrophobicContact CD2-CD2 4.04Å
397E91.1Very high92.1Very high81 Ų8133.4 Ų33.438%0.37919%0.191SC..Hα-helixtrans-56-47.1-177.3-72.4159.1-16800113T395 M399 A400 Q401 H422T395-E397 VanDerWaalsContact OG1-CD 3.31Å; T395-E397 WeakPolarHBondContact OG1-CG 3.27Å; T395-E397 PolarHBondContact OG1-N 2.91Å; E397-M399 PolarHBondContact O-N 3.22Å; E397-A400 PolarHBondContact O-N 3.14Å; E397-Q401 WeakPolarHBondContact O-CB 3.44Å; E397-Q401 PolarHBondContact O-N 2.97Å; E397-H422 VanDerWaalsContact CD-ND1 3.35Å; E397-H422 IonicContact OE1-CE1 3.06Å; E397-H422 IonicContact OE1-CG 3.15Å; E397-H422 IonicContact OE1-ND1 2.87Å; E397-H422 PolarHBondContact OE1-ND1 3.48Å
398S90.1Very high92.2Very high67 Ų6735.9 Ų35.947%0.46920%0.201SC..Hα-helixtrans-61.2-42.2176.2-178.40000112.1L396 Q401 V402L396-S398 PolarHBondContact O-N 2.81Å; S398-Q401 PolarHBondContact O-N 3.49Å; S398-V402 WeakPolarHBondContact O-CB 3.38Å; S398-V402 VanDerWaalsContact O-CG2 3.32Å; S398-V402 WeakPolarHBondContact O-CG2 3.19Å; S398-V402 PolarHBondContact O-N 2.87Å
399M91.1Very high92Very high2 Ų240.3 Ų40.31%0.0124%0.237CC..Hα-helixtrans-65.2-44.5176.9-173.5-169.4178.400111.5L369 A371 L396 E397 V402 L403 L454 L457 L477L369-M399 HydrophobicContact CD1-CG 3.68Å; L369-M399 HydrophobicContact CD2-CE 3.82Å; L369-M399 HydrophobicContact CG-CE 4.15Å; L369-M399 HydrophobicContact CG-CG 4Å; A371-M399 HydrophobicContact CB-CE 3.89Å; A371-M399 HydrophobicContact CB-SD 4.18Å; L396-M399 HydrophobicContact CD2-CB 4.45Å; L396-M399 HydrophobicContact CD2-SD 3.92Å; L396-M399 WeakPolarHBondContact O-CB 3.33Å; L396-M399 PolarHBondContact O-N 3.18Å; L396-M399 VanDerWaalsContact O-N 3.13Å; E397-M399 PolarHBondContact O-N 3.22Å; M399-V402 PolarHBondContact O-N 3.28Å; M399-L403 WeakPolarHBondContact O-CB 3.38Å; M399-L403 PolarHBondContact O-N 3.5Å; M399-L454 HydrophobicContact CE-CD2 4.22Å; M399-L454 HydrophobicContact SD-CD2 3.85Å; M399-L457 HydrophobicContact CE-CD1 4.03Å; M399-L477 HydrophobicContact CE-CD1 4.13Å; M399-L477 HydrophobicContact CE-CD2 3.96Å
400A92.2Very high91.8Very high1 Ų143.6 Ų43.61%0.00825%0.253CS..Hα-helixtrans-64.4-38.917800000112.5L342 L396 E397 S404 L421 P423L342-A400 WeakPolarHBondContact O-CB 3.32Å; L396-A400 WeakPolarHBondContact O-CB 3.33Å; L396-A400 PolarHBondContact O-N 2.93Å; E397-A400 PolarHBondContact O-N 3.14Å; A400-S404 WeakPolarHBondContact O-CB 3.39Å; A400-S404 PolarHBondContact O-N 2.92Å; A400-S404 PolarHBondContact O-OG 2.97Å; A400-L421 HydrophobicContact CB-CD2 4.15Å; A400-P423 HydrophobicContact CB-CG 4Å
401Q90.8Very high91.4Very high74 Ų7446.7 Ų46.735%0.34628%0.284SS..Hα-helixtrans-66.1-50.2174.8-178.9175.8-4.200111.8E397 S398 L403 S404 Q405 P418E397-Q401 WeakPolarHBondContact O-CB 3.44Å; E397-Q401 PolarHBondContact O-N 2.97Å; S398-Q401 PolarHBondContact O-N 3.49Å; Q401-L403 VanDerWaalsContact C-N 3.3Å; Q401-L403 PolarHBondContact O-N 3.26Å; Q401-S404 PolarHBondContact O-N 3.04Å; Q401-Q405 WeakPolarHBondContact O-CG 3.39Å; Q401-Q405 PolarHBondContact O-N 3.06Å; Q401-P418 HydrophobicContact CG-CB 4.4Å
402V91.9Very high91.2Very high34 Ų3444.8 Ų44.821%0.20627%0.271CS..Hα-helixtrans-62.6-38.6177.8169.80000111.2L369 S398 M399 R406L369-V402 HydrophobicContact CD1-CB 4.29Å; L369-V402 HydrophobicContact CD1-CG1 3.95Å; S398-V402 WeakPolarHBondContact O-CB 3.38Å; S398-V402 VanDerWaalsContact O-CG2 3.32Å; S398-V402 WeakPolarHBondContact O-CG2 3.19Å; S398-V402 PolarHBondContact O-N 2.87Å; M399-V402 PolarHBondContact O-N 3.28Å; V402-R406 VanDerWaalsContact CG1-NE 3.34Å; V402-R406 WeakPolarHBondContact O-CD 3.38Å; V402-R406 VanDerWaalsContact O-CG 3.24Å; V402-R406 WeakPolarHBondContact O-CG 3.5Å; V402-R406 PolarHBondContact O-N 3.42Å
403L92.3Very high90.8Very high0 Ų047.7 Ų47.70%029%0.291CS..Hα-helixtrans-62.5-48.9174.617959000111.5V301 L342 L360 A363 L364 L369 M399 Q401 Q405 R406 L407 L457V301-L403 HydrophobicContact CG1-CD2 4.19Å; L342-L403 HydrophobicContact CB-CD2 4.13Å; L360-L403 HydrophobicContact CD1-CD1 3.74Å; A363-L403 HydrophobicContact CB-CD1 4.21Å; L364-L403 HydrophobicContact CD2-CD1 3.81Å; L369-L403 HydrophobicContact CD1-CB 4.49Å; M399-L403 WeakPolarHBondContact O-CB 3.38Å; M399-L403 PolarHBondContact O-N 3.5Å; Q401-L403 VanDerWaalsContact C-N 3.3Å; Q401-L403 PolarHBondContact O-N 3.26Å; L403-Q405 PolarHBondContact O-N 3.12Å; L403-R406 PolarHBondContact O-N 3.37Å; L403-R406 VanDerWaalsContact O-N 3.17Å; L403-L407 HydrophobicContact CD1-CD1 4.07Å; L403-L407 HydrophobicContact CD1-CG 4.18Å; L403-L407 HydrophobicContact CG-CD1 3.96Å; L403-L407 HydrophobicContact CG-CG 4.48Å; L403-L407 WeakPolarHBondContact O-CG 3.46Å; L403-L407 PolarHBondContact O-N 3.17Å; L403-L457 HydrophobicContact CD2-CD1 4.42Å
404S91.3Very high90.4Very high7 Ų745.9 Ų45.95%0.04928%0.277CS..Hα-helixtrans-59.9-46.6-179.9-60.30000111.7A400 Q401 R406 L407 E408A400-S404 WeakPolarHBondContact O-CB 3.39Å; A400-S404 PolarHBondContact O-N 2.92Å; A400-S404 PolarHBondContact O-OG 2.97Å; Q401-S404 PolarHBondContact O-N 3.04Å; S404-R406 VanDerWaalsContact C-N 3.26Å; S404-R406 PolarHBondContact O-N 3.2Å; S404-L407 PolarHBondContact O-N 3.2Å; S404-L407 VanDerWaalsContact O-N 3.14Å; S404-E408 WeakPolarHBondContact O-CG 3.39Å; S404-E408 PolarHBondContact O-N 3.46Å
405Q91.1Very high89.8Confident85 Ų8544 Ų4440%0.39726%0.264SS..Hα-helixtrans-58.1-34.7176.1-71.5172.5-16.100113.4Q401 L403 A409Q401-Q405 WeakPolarHBondContact O-CG 3.39Å; Q401-Q405 PolarHBondContact O-N 3.06Å; L403-Q405 PolarHBondContact O-N 3.12Å; Q405-A409 WeakPolarHBondContact O-CB 3.29Å; Q405-A409 PolarHBondContact O-N 2.6Å
406R92.3Very high88.8Confident46 Ų4641.5 Ų41.517%0.17425%0.247CC..Hα-helixtrans-75-39.5176.5-69.5168.8-176.3-156.1-6.4112.3A363 A366 P367 V402 L403 S404 E408 A409 E410A363-R406 HydrophobicContact CB-CB 3.67Å; A363-R406 WeakPolarHBondContact O-CD 3.3Å; A363-R406 PolarHBondContact O-NH1 3.37Å; A366-R406 PolarHBondContact O-NH1 3.05Å; A366-R406 PolarHBondContact O-NH2 3.18Å; P367-R406 PolarHBondContact O-NH2 2.96Å; V402-R406 VanDerWaalsContact CG1-NE 3.34Å; V402-R406 WeakPolarHBondContact O-CD 3.38Å; V402-R406 VanDerWaalsContact O-CG 3.24Å; V402-R406 WeakPolarHBondContact O-CG 3.5Å; V402-R406 PolarHBondContact O-N 3.42Å; L403-R406 PolarHBondContact O-N 3.37Å; L403-R406 VanDerWaalsContact O-N 3.17Å; S404-R406 VanDerWaalsContact C-N 3.26Å; S404-R406 PolarHBondContact O-N 3.2Å; R406-E408 VanDerWaalsContact C-N 3.31Å; R406-A409 PolarHBondContact O-N 2.92Å; R406-E410 WeakPolarHBondContact O-CG 3.45Å; R406-E410 PolarHBondContact O-N 3.2Å
407L91.9Very high87.1Confident1 Ų143.8 Ų43.81%0.00526%0.263CS..Hα-helixtrans-65.2-37174.8-64.2172.2000111V301 A343 L345 L360 A363 L403 S404 E410 G411 L412 T414V301-L407 HydrophobicContact CG2-CD1 4.35Å; A343-L407 HydrophobicContact CB-CD1 4.04Å; L345-L407 HydrophobicContact CD2-CD1 4.39Å; L360-L407 HydrophobicContact CB-CD2 4.14Å; L360-L407 HydrophobicContact CD1-CD2 4.14Å; A363-L407 HydrophobicContact CB-CD2 4.07Å; L403-L407 HydrophobicContact CD1-CD1 4.07Å; L403-L407 HydrophobicContact CD1-CG 4.18Å; L403-L407 HydrophobicContact CG-CD1 3.96Å; L403-L407 HydrophobicContact CG-CG 4.48Å; L403-L407 WeakPolarHBondContact O-CG 3.46Å; L403-L407 PolarHBondContact O-N 3.17Å; S404-L407 PolarHBondContact O-N 3.2Å; S404-L407 VanDerWaalsContact O-N 3.14Å; L407-E410 CarbonylContact O-C 3.58Å; L407-E410 PolarHBondContact O-N 3.33Å; L407-G411 PolarHBondContact O-N 3.03Å; L407-L412 HydrophobicContact CB-CB 4.42Å; L407-L412 HydrophobicContact CB-CD1 4.13Å; L407-L412 HydrophobicContact CD2-CD1 3.82Å; L407-L412 HydrophobicContact CG-CD1 4.48Å; L407-L412 VanDerWaalsContact O-CB 3.31Å; L407-L412 WeakPolarHBondContact O-CB 3.31Å; L407-L412 PolarHBondContact O-N 3.05Å; L407-T414 HydrophobicContact CB-CG2 4.19Å
408E91.4Very high85.2Confident74 Ų7444 Ų4435%0.34627%0.271SS..Hα-helixtrans-63.5-44.1170.9-73.8155.1-141.800112.3S404 R406 E410 G411 T414S404-E408 WeakPolarHBondContact O-CG 3.39Å; S404-E408 PolarHBondContact O-N 3.46Å; R406-E408 VanDerWaalsContact C-N 3.31Å; E408-E410 VanDerWaalsContact C-N 3.27Å; E408-E410 PolarHBondContact O-N 3.22Å; E408-G411 WeakPolarHBondContact O-CA 3.49Å; E408-G411 PolarHBondContact O-N 2.79Å; E408-T414 HydrophobicContact CG-CG2 3.78Å; E408-T414 WeakPolarHBondContact CG-OG1 3.48Å; E408-T414 WeakPolarHBondContact OE1-CB 3.48Å; E408-T414 PolarHBondContact OE1-OG1 2.98Å
409A90.1Very high83.4Confident93 Ų9343.1 Ų43.177%0.76927%0.273SS*.Hα-helixtrans-65.6-28.5176.500000113.2Q405 R406 G411Q405-A409 WeakPolarHBondContact O-CB 3.29Å; Q405-A409 PolarHBondContact O-N 2.6Å; R406-A409 PolarHBondContact O-N 2.92Å; A409-G411 PolarHBondContact O-N 3.02Å
410E89.5Confident82.2Confident73 Ų7349.2 Ų49.234%0.34130%0.301SS..THydrogen-bonded Turntrans-803169.8-70.5-81.6-179.700113.2A359 R362 R406 L407 E408A359-E410 HydrophobicContact CB-CB 3.69Å; A359-E410 HydrophobicContact CB-CG 4.03Å; R362-E410 WeakPolarHBondContact CB-OE1 3.44Å; R362-E410 WeakPolarHBondContact CD-OE1 3.46Å; R362-E410 IonicContact CZ-OE1 2.73Å; R362-E410 IonicContact CZ-OE2 2.88Å; R362-E410 VanDerWaalsContact CZ-OE2 3.24Å; R362-E410 IonicContact NE-OE1 3.48Å; R362-E410 PolarHBondContact NE-OE1 3.32Å; R362-E410 IonicContact NE-OE2 2.71Å; R362-E410 PolarHBondContact NE-OE2 3.45Å; R362-E410 IonicContact NH2-OE1 3.1Å; R362-E410 IonicContact NH2-OE2 3.41Å; R362-E410 PolarHBondContact NH2-OE2 2.87Å; R406-E410 WeakPolarHBondContact O-CG 3.45Å; R406-E410 PolarHBondContact O-N 3.2Å; L407-E410 CarbonylContact O-C 3.58Å; L407-E410 PolarHBondContact O-N 3.33Å; E408-E410 VanDerWaalsContact C-N 3.27Å; E408-E410 PolarHBondContact O-N 3.22Å
411G86.4Confident81.3Confident64 Ų6450.8 Ų50.866%0.6631%0.309SS*.THydrogen-bonded Turntrans87.79.1174.300000116L407 E408 A409L407-G411 PolarHBondContact O-N 3.03Å; E408-G411 WeakPolarHBondContact O-CA 3.49Å; E408-G411 PolarHBondContact O-N 2.79Å; A409-G411 PolarHBondContact O-N 3.02Å
412L88.6Confident81Confident22 Ų2251.9 Ų51.912%0.11531%0.314CS..  trans-82141.9179.2-57.9179.3000112.2L345 L347 A356 A359 L407 T414L345-L412 HydrophobicContact CD2-CB 4.42Å; L347-L412 HydrophobicContact CD2-CD2 4.19Å; A356-L412 HydrophobicContact CB-CD1 3.94Å; A356-L412 HydrophobicContact CB-CD2 4.1Å; A359-L412 HydrophobicContact CB-CD1 3.93Å; A359-L412 HydrophobicContact CB-CG 4.35Å; L407-L412 HydrophobicContact CB-CB 4.42Å; L407-L412 HydrophobicContact CB-CD1 4.13Å; L407-L412 HydrophobicContact CD2-CD1 3.82Å; L407-L412 HydrophobicContact CG-CD1 4.48Å; L407-L412 VanDerWaalsContact O-CB 3.31Å; L407-L412 WeakPolarHBondContact O-CB 3.31Å; L407-L412 PolarHBondContact O-N 3.05Å; L412-T414 PolarHBondContact O-N 2.83Å; L412-T414 VanDerWaalsContact O-N 3.09Å
413S85Confident81Confident73 Ų7350.6 Ų50.651%0.5131%0.306SS..  trans-78.490.9172.5-68.60000111.5R346R346-S413 PolarHBondContact N-O 3.47Å; R346-S413 VanDerWaalsContact N-O 3.08Å
414T84.6Confident81Confident25 Ų2553.2 Ų53.215%0.15332%0.319CS..BIsolated β-bridgetrans-68153161.459.90000110.3L344 L345 L407 E408 L412L344-T414 WeakPolarHBondContact O-CA 3.13Å; L345-T414 HydrophobicContact CD2-CG2 3.92Å; L407-T414 HydrophobicContact CB-CG2 4.19Å; E408-T414 HydrophobicContact CG-CG2 3.78Å; E408-T414 WeakPolarHBondContact CG-OG1 3.48Å; E408-T414 WeakPolarHBondContact OE1-CB 3.48Å; E408-T414 PolarHBondContact OE1-OG1 2.98Å; L412-T414 PolarHBondContact O-N 2.83Å; L412-T414 VanDerWaalsContact O-N 3.09Å
415L80Confident81.2Confident24 Ų2452.9 Ų52.913%0.12632%0.316CS..  trans-11828.5-177.5-66.6169000112.4P295 P297 L344 R346P295-L415 HydrophobicContact CB-CD2 4.06Å; P295-L415 HydrophobicContact CG-CD2 4.09Å; P295-L415 WeakPolarHBondContact O-CD1 3.48Å; P297-L415 HydrophobicContact CB-CD1 3.63Å; L344-L415 HydrophobicContact CB-CB 4.34Å; L344-L415 PolarHBondContact O-N 3.31Å; R346-L415 HydrophobicContact CB-CD1 4.04Å; R346-L415 HydrophobicContact CB-CD2 4.44Å; R346-L415 HydrophobicContact CB-CG 4.37Å
416Q70.4Confident81.3Confident25 Ų2549.8 Ų49.812%0.11730%0.303CS..  trans-129.4137.6-171.3-58.7-176.3-300110.5L344L344-Q416 HydrophobicContact CB-CG 4.11Å; L344-Q416 HydrophobicContact CD1-CG 4.45Å
417S57Low81.4Confident49 Ų4947.6 Ų47.634%0.34330%0.295SS..  trans-74.6139.3165.3-38.30000108.8G419 Q420S417-G419 PolarHBondContact O-N 3.48Å; S417-Q420 VanDerWaalsContact CB-OE1 3.22Å; S417-Q420 VanDerWaalsContact O-CB 3.27Å; S417-Q420 WeakPolarHBondContact O-CB 3.23Å; S417-Q420 PolarHBondContact O-N 3.08Å; S417-Q420 PolarHBondContact OG-OE1 3.48Å
418P51.8Low81.4Confident85 Ų8547.5 Ų47.555%0.55230%0.295SS*.THydrogen-bonded Turntrans-52.3131.4174-28.535.8000111.9Q401 Q420Q401-P418 HydrophobicContact CG-CB 4.4Å; P418-Q420 VanDerWaalsContact C-N 3.31Å; P418-Q420 PolarHBondContact O-N 3.49Å
419G51.7Low81.4Confident49 Ų4950.1 Ų50.151%0.50531%0.305SS..THydrogen-bonded Turntrans76.54.8-177.600000116S417S417-G419 PolarHBondContact O-N 3.48Å
420Q66.3Low81.1Confident130 Ų13045.8 Ų45.861%0.60727%0.269SS*.  trans-97.6-8.6-179.2-162.5173.425.800114.3S417 P418S417-Q420 VanDerWaalsContact CB-OE1 3.22Å; S417-Q420 VanDerWaalsContact O-CB 3.27Å; S417-Q420 WeakPolarHBondContact O-CB 3.23Å; S417-Q420 PolarHBondContact O-N 3.08Å; S417-Q420 PolarHBondContact OG-OE1 3.48Å; P418-Q420 VanDerWaalsContact C-N 3.31Å; P418-Q420 PolarHBondContact O-N 3.49Å
421L72.2Confident80.6Confident34 Ų3444.8 Ų44.818%0.17827%0.269CS..  trans-96123.2175.2-165.677.6000111T341 L342 A400 P423T341-L421 WeakPolarHBondContact O-CD2 3.45Å; L342-L421 VanDerWaalsContact C-CD2 3.46Å; L342-L421 VanDerWaalsContact O-CD2 3.26Å; L342-L421 WeakPolarHBondContact O-CD2 3.42Å; A400-L421 HydrophobicContact CB-CD2 4.15Å; L421-P423 HydrophobicContact CD2-CG 4.29Å; L421-P423 WeakPolarHBondContact O-CD 3.41Å
422H85.2Confident79.7Confident97 Ų9748.5 Ų48.545%0.44927%0.269SS..  trans-108.197.9169.4-56.2-79.9000108.5E397 H424E397-H422 VanDerWaalsContact CD-ND1 3.35Å; E397-H422 IonicContact OE1-CE1 3.06Å; E397-H422 IonicContact OE1-CG 3.15Å; E397-H422 IonicContact OE1-ND1 2.87Å; E397-H422 PolarHBondContact OE1-ND1 3.48Å; H422-H424 PolarHBondContact O-N 3.01Å; H422-H424 PolarHBondContact O-ND1 2.84Å
423P91.7Very high78.9Confident6 Ų651.3 Ų51.34%0.03930%0.302CS..  trans-59.4129.3179.2-26.737.4000111.5T341 L342 P392 L396 A400 L421T341-P423 WeakPolarHBondContact O-CB 3.47Å; L342-P423 HydrophobicContact CD2-CB 3.78Å; L342-P423 HydrophobicContact CD2-CG 3.73Å; P392-P423 WeakPolarHBondContact CD-O 3.45Å; L396-P423 HydrophobicContact CB-CB 4.06Å; L396-P423 HydrophobicContact CB-CG 3.87Å; A400-P423 HydrophobicContact CB-CG 4Å; L421-P423 HydrophobicContact CD2-CG 4.29Å; L421-P423 WeakPolarHBondContact O-CD 3.41Å
424H93.5Very high78.5Confident55 Ų5549.4 Ų49.426%0.25529%0.289SS..  trans-147.6147.5-177.557.1-92.3000111.2C389 H422 T426C389-H424 HydrophobicContact CB-CB 3.97Å; C389-H424 VanDerWaalsContact CB-CD2 3.46Å; C389-H424 WeakPolarHBondContact CB-CD2 3.44Å; H422-H424 PolarHBondContact O-N 3.01Å; H422-H424 PolarHBondContact O-ND1 2.84Å; H424-T426 PolarHBondContact CD2-OG1 3.05Å; H424-T426 PolarHBondContact O-N 3.4Å
425L94.6Very high78.2Confident0 Ų056.9 Ų56.90%032%0.322CS..EExtended strand (participates in β ladder)trans-81.9106.3175174.951.6000109V305 L310 V314 L338 L340 F377 C389 A390 V427V305-L425 HydrophobicContact CG2-CD1 3.68Å; V305-L425 HydrophobicContact CG2-CD2 4.16Å; L310-L425 HydrophobicContact CD1-CD2 4.11Å; L310-L425 HydrophobicContact CD2-CD2 4.04Å; L310-L425 HydrophobicContact CG-CD2 4.24Å; V314-L425 HydrophobicContact CG2-CD2 4.07Å; L338-L425 HydrophobicContact CB-CD1 4.01Å; L338-L425 HydrophobicContact CD2-CD1 4.02Å; L340-L425 HydrophobicContact CD1-CB 4.02Å; L340-L425 HydrophobicContact CD1-CD1 4.32Å; L340-L425 HydrophobicContact CG-CB 4.29Å; F377-L425 HydrophobicContact CD1-CB 4.05Å; F377-L425 HydrophobicContact CD1-CD2 4.19Å; F377-L425 HydrophobicContact CD2-CD2 4.32Å; F377-L425 HydrophobicContact CE1-CB 3.75Å; F377-L425 HydrophobicContact CE1-CD2 4.28Å; F377-L425 HydrophobicContact CE2-CD2 4.41Å; F377-L425 HydrophobicContact CG-CD2 4.21Å; F377-L425 HydrophobicContact CZ-CB 4.34Å; F377-L425 HydrophobicContact CZ-CD2 4.4Å; C389-L425 CarbonylContact C-O 3.58Å; C389-L425 WeakPolarHBondContact CA-O 3.21Å; C389-L425 WeakPolarHBondContact CB-O 3.09Å; A390-L425 HydrophobicContact CB-CB 4.44Å; A390-L425 PolarHBondContact N-O 2.95Å; A390-L425 PolarHBondContact O-N 2.62Å; L425-V427 PolarHBondContact O-N 3.49Å
426T93.6Very high78.3Confident20 Ų2057.7 Ų57.712%0.12333%0.328CS..EExtended strand (participates in β ladder)trans-75.7122.8-180-55.90000110.8V333 L338 V387 H424 K429V333-T426 HydrophobicContact CG2-CG2 3.78Å; L338-T426 WeakPolarHBondContact CD2-O 3.49Å; V387-T426 HydrophobicContact CG1-CG2 4.03Å; H424-T426 PolarHBondContact CD2-OG1 3.05Å; H424-T426 PolarHBondContact O-N 3.4Å; T426-K429 HydrophobicContact CG2-CB 4.02Å
427V93.9Very high79.1Confident0 Ų061.5 Ų61.50%035%0.346CS..EExtended strand (participates in β ladder)trans-96.9-40.1179.6175.80000111.2V314 Q318 V333 L380 L388 L425V314-V427 HydrophobicContact CG1-CG1 4.17Å; V314-V427 HydrophobicContact CG1-CG2 4.19Å; Q318-V427 HydrophobicContact CG-CG1 3.6Å; Q318-V427 PolarHBondContact NE2-O 2.93Å; V333-V427 PolarHBondContact N-O 3.5Å; L380-V427 HydrophobicContact CD2-CG2 4.18Å; L388-V427 HydrophobicContact CD2-CB 4.47Å; L388-V427 HydrophobicContact CD2-CG1 4.29Å; L388-V427 PolarHBondContact O-N 2.73Å; L425-V427 PolarHBondContact O-N 3.49Å
428A92.2Very high80.6Confident0 Ų059.5 Ų59.50%033%0.331CS..EExtended strand (participates in β ladder)trans-148.2146.7174.300000110.9L321 F331 L332 L388 L438L321-A428 HydrophobicContact CD2-CB 3.58Å; F331-A428 CarbonylContact O-C 3.56Å; F331-A428 VanDerWaalsContact O-CA 3.27Å; F331-A428 WeakPolarHBondContact O-CA 3.23Å; F331-A428 WeakPolarHBondContact O-CB 2.97Å; L332-A428 HydrophobicContact CD2-CB 4.25Å; L388-A428 HydrophobicContact CB-CB 4.31Å; L388-A428 PolarHBondContact N-O 3.45Å; L388-A428 PolarHBondContact O-N 2.98Å; L388-A428 VanDerWaalsContact O-N 3.17Å; A428-L438 HydrophobicContact CB-CD1 4.04Å; A428-L438 HydrophobicContact CB-CD2 4.23Å
429K90.3Very high82.4Confident128 Ų12857.2 Ų57.256%0.55732%0.316SS*.EExtended strand (participates in β ladder)trans-145.9109.7-175.7179.5164.2-176.2172.70112F331 H386 V387 T426F331-K429 PolarHBondContact O-N 3.39Å; H386-K429 CarbonylContact O-C 3.52Å; H386-K429 WeakPolarHBondContact O-CA 3.46Å; V387-K429 HydrophobicContact CG2-CD 4.46Å; V387-K429 HydrophobicContact CG2-CG 4.2Å; T426-K429 HydrophobicContact CG2-CB 4.02Å
430V84.7Confident84Confident2 Ų261.9 Ų61.91%0.01232%0.323CS..PPolyproline II helixtrans-87.5129.9171.8-173.90000109.4F331 H386 V436 L438F331-V430 HydrophobicContact CB-CG2 3.86Å; F331-V430 HydrophobicContact CD1-CB 4.37Å; F331-V430 HydrophobicContact CD1-CG1 4.2Å; F331-V430 HydrophobicContact CD1-CG2 4.29Å; F331-V430 HydrophobicContact CD2-CG1 4.48Å; F331-V430 HydrophobicContact CD2-CG2 3.86Å; F331-V430 HydrophobicContact CE1-CG1 4.12Å; F331-V430 HydrophobicContact CE2-CG1 4.42Å; F331-V430 HydrophobicContact CG-CB 4.31Å; F331-V430 HydrophobicContact CG-CG1 4.37Å; F331-V430 HydrophobicContact CG-CG2 3.73Å; F331-V430 HydrophobicContact CZ-CG1 4.23Å; H386-V430 PolarHBondContact O-N 3.36Å; V430-V436 HydrophobicContact CG1-CB 4.34Å; V430-V436 WeakPolarHBondContact CG1-O 3.41Å; V430-L438 HydrophobicContact CG2-CD1 4.28Å; V430-L438 HydrophobicContact CG2-CD2 3.66Å; V430-L438 HydrophobicContact CG2-CG 3.68Å
431P78.6Confident84.8Confident53 Ų5356.2 Ų56.234%0.34430%0.297SS..PPolyproline II helixtrans-60.1140.4174.4-24.734.7000113.2P78 G433 S434P78-P431 HydrophobicContact CG-CB 4.49Å; P431-G433 PolarHBondContact O-N 2.93Å; P431-S434 VanDerWaalsContact O-CB 3.23Å; P431-S434 WeakPolarHBondContact O-CB 3.44Å; P431-S434 PolarHBondContact O-N 2.97Å; P431-S434 VanDerWaalsContact O-N 3.09Å
432H68.9Low85.4Confident142 Ų14262 Ų6266%0.65732%0.323SS*.THydrogen-bonded Turntrans-58.5135.9171.7-69.7-62.1000111.2H386H386-H432 AromaticContact CD2-CE1 3.45Å; H386-H432 PolarHBondContact CD2-CE1 3.03Å; H386-H432 VanDerWaalsContact CD2-CE1 3.45Å; H386-H432 AromaticContact CD2-ND1 3.1Å; H386-H432 PolarHBondContact CD2-ND1 3.43Å; H386-H432 AromaticContact CG-CE1 3.99Å; H386-H432 AromaticContact CG-ND1 3.72Å; H386-H432 AromaticContact NE2-ND1 3.36Å; H386-H432 PolarHBondContact NE2-ND1 3.08Å
433G69.9Low85.3Confident80 Ų8059.3 Ų59.383%0.82531%0.31SS*.THydrogen-bonded Turntrans86.40.6-172.900000114.8P431P431-G433 PolarHBondContact O-N 2.93Å
434S76.6Confident85.1Confident33 Ų3363.5 Ų63.523%0.23134%0.335CS..  trans-70.7149159.5-1720000110.9P431 V436P431-S434 VanDerWaalsContact O-CB 3.23Å; P431-S434 WeakPolarHBondContact O-CB 3.44Å; P431-S434 PolarHBondContact O-N 2.97Å; P431-S434 VanDerWaalsContact O-N 3.09Å; S434-V436 VanDerWaalsContact C-N 3.28Å; S434-V436 PolarHBondContact OG-N 3.43Å
435Q78.7Confident84.6Confident182 Ų18261 Ų6185%0.8532%0.324SS*.SBendtrans-82.8-5.2170.8-58.3-68.38.700112.6
436V82.7Confident84.1Confident41 Ų4163.1 Ų63.125%0.24834%0.339CS..  trans-88.9141.1176.9-177.10000109.4F331 V430 S434F331-V436 HydrophobicContact CD2-CG1 4.25Å; F331-V436 HydrophobicContact CE2-CB 3.94Å; F331-V436 HydrophobicContact CE2-CG1 3.93Å; F331-V436 HydrophobicContact CE2-CG2 4.01Å; F331-V436 HydrophobicContact CZ-CG2 4.48Å; V430-V436 HydrophobicContact CG1-CB 4.34Å; V430-V436 WeakPolarHBondContact CG1-O 3.41Å; S434-V436 VanDerWaalsContact C-N 3.28Å; S434-V436 PolarHBondContact OG-N 3.43Å
437H87.5Confident83.1Confident105 Ų10567.5 Ų67.549%0.48636%0.358SS..  trans-127.5144.4175.2-63.1-30.9000109.9P385P385-H437 HydrophobicContact CB-CB 4Å; P385-H437 VanDerWaalsContact O-CA 3.31Å; P385-H437 WeakPolarHBondContact O-CA 3.45Å
438L88.3Confident82Confident8 Ų875.4 Ų75.44%0.04240%0.395CS..PPolyproline II helixtrans-79.2135.3177.3-62.8176.7000110.1L321 C328 L382 P385 H386 L388 A428 V430L321-L438 HydrophobicContact CD2-CD2 4.4Å; C328-L438 HydrophobicContact CB-CD2 4.09Å; L382-L438 HydrophobicContact CD1-CB 3.8Å; P385-L438 PolarHBondContact O-N 2.72Å; H386-L438 WeakPolarHBondContact O-CD1 3.48Å; L388-L438 HydrophobicContact CB-CD1 3.78Å; A428-L438 HydrophobicContact CB-CD1 4.04Å; A428-L438 HydrophobicContact CB-CD2 4.23Å; V430-L438 HydrophobicContact CG2-CD1 4.28Å; V430-L438 HydrophobicContact CG2-CD2 3.66Å; V430-L438 HydrophobicContact CG2-CG 3.68Å
439P88.6Confident81.3Confident36 Ų3678.2 Ų78.223%0.23441%0.412CS..PPolyproline II helixtrans-69.7153.9173.230.9-35.6000111.1L321 A325 L441L321-P439 HydrophobicContact CD1-CG 3.72Å; A325-P439 HydrophobicContact CB-CG 3.97Å; P439-L441 HydrophobicContact CG-CD2 4.12Å; P439-L441 HydrophobicContact CG-CG 4.32Å; P439-L441 PolarHBondContact O-N 3.33Å
440K86.1Confident80.8Confident148 Ų14872.1 Ų72.164%0.64339%0.385SS*.PPolyproline II helixtrans-69.4119.4162.8-174-158.5178.5-156.50107.7L382 E442L382-K440 HydrophobicContact CD2-CB 4.17Å; K440-E442 WeakPolarHBondContact CE-OE1 3.38Å; K440-E442 IonicContact NZ-OE1 3.67Å; K440-E442 PolarHBondContact NZ-OE1 3.05Å
441L83.5Confident81Confident11 Ų1172.5 Ų72.56%0.05839%0.388CS..  trans-105.3132.6176.4-67177.7000111Y320 L321 V324 L388 P439 F443Y320-L441 HydrophobicContact CD1-CD1 4.43Å; Y320-L441 HydrophobicContact CD1-CD2 4.16Å; Y320-L441 HydrophobicContact CE1-CD2 3.94Å; L321-L441 HydrophobicContact CB-CD1 3.62Å; L321-L441 HydrophobicContact CD1-CD1 3.8Å; L321-L441 HydrophobicContact CD1-CG 4.48Å; L321-L441 HydrophobicContact CG-CD1 4.19Å; V324-L441 HydrophobicContact CB-CD2 4.18Å; V324-L441 HydrophobicContact CG1-CD2 4.1Å; V324-L441 HydrophobicContact CG2-CD2 4.26Å; L388-L441 HydrophobicContact CD2-CD1 3.9Å; P439-L441 HydrophobicContact CG-CD2 4.12Å; P439-L441 HydrophobicContact CG-CG 4.32Å; P439-L441 PolarHBondContact O-N 3.33Å; L441-F443 VanDerWaalsContact C-N 3.29Å; L441-F443 PolarHBondContact O-N 2.74Å
442E83.9Confident81.6Confident154 Ų15470.1 Ų70.172%0.7237%0.372SS*.  trans-96.859.1173.5-54.7-155.5153.700109.9K440K440-E442 WeakPolarHBondContact CE-OE1 3.38Å; K440-E442 IonicContact NZ-OE1 3.67Å; K440-E442 PolarHBondContact NZ-OE1 3.05Å
443F83.5Confident82.8Confident42 Ų4264.3 Ų64.318%0.18435%0.347CS..  trans-102.1139.6176.5-167.8-83.7000110.3K316 A317 Y320 L380 L441 L445K316-F443 HydrophobicContact CB-CZ 4.04Å; A317-F443 HydrophobicContact CB-CD1 3.77Å; A317-F443 HydrophobicContact CB-CE1 3.77Å; A317-F443 HydrophobicContact CB-CG 4.29Å; A317-F443 HydrophobicContact CB-CZ 4.26Å; Y320-F443 HydrophobicContact CD1-CB 4.25Å; Y320-F443 AromaticContact CD1-CD2 3.69Å; Y320-F443 HydrophobicContact CD1-CD2 3.69Å; Y320-F443 HydrophobicContact CD1-CG 4.39Å; Y320-F443 HydrophobicContact CE1-CD2 4.36Å; Y320-F443 AromaticContact CG-CD2 3.96Å; Y320-F443 HydrophobicContact CG-CD2 3.96Å; Y320-F443 HydrophobicContact CG-CE2 4.42Å; L380-F443 HydrophobicContact CD1-CB 3.86Å; L380-F443 HydrophobicContact CD1-CD1 4.35Å; L380-F443 HydrophobicContact CD1-CG 4.42Å; L380-F443 HydrophobicContact CG-CB 4.36Å; L380-F443 PolarHBondContact N-O 3.36Å; L441-F443 VanDerWaalsContact C-N 3.29Å; L441-F443 PolarHBondContact O-N 2.74Å; F443-L445 HydrophobicContact CD1-CD2 4.45Å; F443-L445 HydrophobicContact CE1-CD2 4.06Å
444T86.7Confident83.8Confident93 Ų9361 Ų6157%0.57131%0.31SS*.BIsolated β-bridgetrans-124120.7176.1-58.80000109.8R378R378-T444 CarbonylContact O-C 3.56Å; R378-T444 WeakPolarHBondContact O-CA 3.24Å
445L84.1Confident84.4Confident3 Ų365.5 Ų65.52%0.01633%0.328CS..  trans-68.5143.1173.4-57.4160.6000109.9E313 A317 F377 R378 L380 A390 F443 Q447E313-L445 HydrophobicContact CB-CD2 3.76Å; E313-L445 WeakPolarHBondContact O-CD2 3.49Å; A317-L445 HydrophobicContact CB-CD2 4.39Å; F377-L445 HydrophobicContact CB-CD1 3.69Å; R378-L445 PolarHBondContact O-N 3.4Å; L380-L445 HydrophobicContact CD2-CD1 4.19Å; L380-L445 HydrophobicContact CD2-CG 4.47Å; A390-L445 HydrophobicContact CB-CD1 4.01Å; F443-L445 HydrophobicContact CD1-CD2 4.45Å; F443-L445 HydrophobicContact CE1-CD2 4.06Å; L445-Q447 PolarHBondContact O-N 3.11Å
446S82.7Confident85.1Confident45 Ų4558.2 Ų58.232%0.31530%0.296SS..  trans-61.8130.6177.7176.80000112E313 E448 V449 G450E313-S446 WeakPolarHBondContact OE2-CB 3.49Å; E313-S446 PolarHBondContact OE2-N 3.34Å; S446-E448 VanDerWaalsContact C-N 3.3Å; S446-E448 PolarHBondContact O-N 2.62Å; S446-V449 PolarHBondContact O-N 3.3Å; S446-G450 WeakPolarHBondContact O-CA 3.2Å; S446-G450 PolarHBondContact O-N 3.38Å
447Q72.7Confident85.7Confident112 Ų11256.2 Ų56.252%0.52328%0.284SS..THydrogen-bonded Turntrans-60.8-36.1-179.9169.6175.3-28.300113.2R378 L445 C451R378-Q447 VanDerWaalsContact CZ-OE1 3.25Å; L445-Q447 PolarHBondContact O-N 3.11Å; Q447-C451 PolarHBondContact O-SG 3.43Å; Q447-C451 VanDerWaalsContact O-SG 3.41Å
448E70.8Confident86.1Confident166 Ų16653.9 Ų53.978%0.77627%0.271SS*.THydrogen-bonded Turntrans-77.3-33.1-174.4-62.1-179.916600111.8S446S446-E448 VanDerWaalsContact C-N 3.3Å; S446-E448 PolarHBondContact O-N 2.62Å
449V79.2Confident86.4Confident59 Ų5953.5 Ų53.536%0.35827%0.269SS..THydrogen-bonded Turntrans-104.5-31.9-168.5-175.10000111.8G309 L310 E313 S446 C451G309-V449 CarbonylContact C-O 3.57Å; G309-V449 WeakPolarHBondContact O-CG1 3.43Å; L310-V449 PolarHBondContact N-O 2.84Å; E313-V449 HydrophobicContact CG-CB 3.99Å; E313-V449 HydrophobicContact CG-CG1 3.73Å; S446-V449 PolarHBondContact O-N 3.3Å; V449-C451 PolarHBondContact O-N 2.81Å
450G79.3Confident86.7Confident0 Ų051.8 Ų51.80%026%0.258CS..SBendtrans-77.442.5177.200000114.3S376 F377 S446S376-G450 WeakPolarHBondContact CA-O 3.49Å; F377-G450 PolarHBondContact N-O 2.95Å; S446-G450 WeakPolarHBondContact O-CA 3.2Å; S446-G450 PolarHBondContact O-N 3.38Å
451C88.2Confident87Confident10 Ų1048.6 Ų48.67%0.06824%0.241CC..EExtended strand (participates in β ladder)trans-110.5156.1177.5-72.90000111.8E307 R374 L375 Q447 V449E307-C451 WeakPolarHBondContact CB-O 3.27Å; E307-C451 WeakPolarHBondContact CG-O 3.25Å; R374-C451 HydrophobicContact CG-CB 4.29Å; R374-C451 VanDerWaalsContact CZ-SG 3.5Å; L375-C451 CarbonylContact O-C 3.57Å; L375-C451 VanDerWaalsContact O-CA 3.25Å; L375-C451 WeakPolarHBondContact O-CA 3.39Å; Q447-C451 PolarHBondContact O-SG 3.43Å; Q447-C451 VanDerWaalsContact O-SG 3.41Å; V449-C451 PolarHBondContact O-N 2.81Å
452Q92.6Very high87.2Confident3 Ų350.8 Ų50.81%0.01425%0.253CS..EExtended strand (participates in β ladder)trans-143.3124.7175.6174.962.951.100109.7L303 T306 E307 L310 R374 L375 F377L303-Q452 HydrophobicContact CD2-CG 3.87Å; L303-Q452 HydrophobicContact CG-CG 4.39Å; T306-Q452 PolarHBondContact OG1-NE2 2.71Å; E307-Q452 VanDerWaalsContact N-OE1 3.09Å; L310-Q452 HydrophobicContact CD2-CB 3.8Å; R374-Q452 WeakPolarHBondContact CA-O 3.48Å; R374-Q452 WeakPolarHBondContact CG-O 3.31Å; L375-Q452 PolarHBondContact N-O 2.82Å; L375-Q452 PolarHBondContact O-N 3.39Å; F377-Q452 HydrophobicContact CE2-CB 4.12Å
453P92.2Very high86.6Confident20 Ų2044.4 Ų44.413%0.1323%0.228CC..EExtended strand (participates in β ladder)trans-69141.5168.930.9-34.2000110.5E307 Q455E307-P453 HydrophobicContact CG-CG 4.38Å; E307-P453 WeakPolarHBondContact OE1-CD 3.14Å; E307-P453 WeakPolarHBondContact OE1-CG 3.45Å; P453-Q455 HydrophobicContact CB-CG 4.14Å
454L91.4Very high85.7Confident10 Ų1049.7 Ų49.75%0.05225%0.247CC..  trans-10084.8175.3172.558.8000107.8L303 A371 P372 P373 L396 M399 L457 L477L303-L454 HydrophobicContact CB-CD1 4.38Å; L303-L454 HydrophobicContact CD1-CD1 4.05Å; L303-L454 HydrophobicContact CD2-CD1 4.07Å; L303-L454 HydrophobicContact CG-CD1 4.39Å; A371-L454 HydrophobicContact CB-CD2 4.03Å; P372-L454 HydrophobicContact CG-CD2 4.05Å; P372-L454 WeakPolarHBondContact O-CB 3.22Å; P372-L454 WeakPolarHBondContact O-CD2 3.5Å; P373-L454 PolarHBondContact O-N 3.1Å; L396-L454 HydrophobicContact CD2-CD2 4.04Å; M399-L454 HydrophobicContact CE-CD2 4.22Å; M399-L454 HydrophobicContact SD-CD2 3.85Å; L454-L457 HydrophobicContact CD1-CD2 3.84Å; L454-L477 HydrophobicContact CD1-CD1 3.51Å; L454-L477 HydrophobicContact CD2-CD1 4.39Å; L454-L477 HydrophobicContact CG-CD1 3.56Å
455Q90.4Very high84Confident127 Ų12748 Ų4859%0.59324%0.236SC*.  trans-112.3-39.3-174.9-76.6170.9-19.300113.1P453 L477P453-Q455 HydrophobicContact CB-CG 4.14Å; Q455-L477 PolarHBondContact O-N 3.32Å
456T92.8Very high82.4Confident29 Ų2952.2 Ų52.218%0.17828%0.281CS..EExtended strand (participates in β ladder)trans-132.2143.1-178.969.10000111.3W458 E474 I475T456-W458 PolarHBondContact OG1-NE1 3.5Å; T456-E474 WeakPolarHBondContact CB-OE1 3.23Å; T456-E474 HydrophobicContact CG2-CG 4.01Å; T456-E474 VanDerWaalsContact CG2-OE1 3.3Å; T456-E474 WeakPolarHBondContact CG2-OE1 3.26Å; T456-E474 PolarHBondContact OG1-OE1 3.41Å; T456-I475 WeakPolarHBondContact CA-O 3.38Å
457L95.1Very high81.3Confident0 Ų052 Ų520%029%0.285CS..EExtended strand (participates in β ladder)trans-111.7143.9171.3-63.8-174000109.8V301 A302 L303 L342 L364 M399 L403 L454 I475 L477V301-L457 HydrophobicContact CG1-CB 4.24Å; V301-L457 HydrophobicContact CG1-CD1 4.39Å; A302-L457 WeakPolarHBondContact O-CA 3.25Å; L303-L457 HydrophobicContact CB-CD2 4.08Å; L342-L457 HydrophobicContact CD1-CD1 3.91Å; L342-L457 HydrophobicContact CD1-CD2 3.51Å; L342-L457 HydrophobicContact CD1-CG 4.39Å; L364-L457 HydrophobicContact CD1-CB 4.35Å; L364-L457 HydrophobicContact CD1-CD1 4.07Å; L364-L457 HydrophobicContact CD2-CD1 3.84Å; M399-L457 HydrophobicContact CE-CD1 4.03Å; L403-L457 HydrophobicContact CD2-CD1 4.42Å; L454-L457 HydrophobicContact CD1-CD2 3.84Å; L457-I475 PolarHBondContact N-O 3.44Å; L457-I475 PolarHBondContact O-N 3.36Å; L457-L477 HydrophobicContact CD1-CD2 4.12Å; L457-L477 HydrophobicContact CD2-CD1 4.47Å; L457-L477 HydrophobicContact CG-CD1 4.09Å; L457-L477 HydrophobicContact CG-CD2 4.36Å; L457-L477 HydrophobicContact CG-CG 4.28Å
458W95.5Very high81.2Confident56 Ų5650.9 Ų50.921%0.21229%0.288CS..EExtended strand (participates in β ladder)trans-115.7129.7-173.9-69.672.9000110.1V301 A302 M304 T456 P471 A473 E474V301-W458 WeakPolarHBondContact CA-O 3.28Å; A302-W458 PolarHBondContact N-O 3.2Å; A302-W458 PolarHBondContact O-N 2.88Å; M304-W458 HydrophobicContact CG-CB 4.18Å; M304-W458 HydrophobicContact CG-CD2 4.1Å; M304-W458 HydrophobicContact CG-CG 3.65Å; T456-W458 PolarHBondContact OG1-NE1 3.5Å; W458-P471 HydrophobicContact CE3-CB 3.47Å; W458-P471 VanDerWaalsContact CE3-CB 3.47Å; W458-P471 HydrophobicContact CZ3-CB 3.63Å; W458-P471 HydrophobicContact CZ3-CG 4.36Å; W458-A473 WeakPolarHBondContact CA-O 3.33Å; W458-E474 HydrophobicContact CD2-CB 4.01Å; W458-E474 HydrophobicContact CD2-CG 4.24Å; W458-E474 HydrophobicContact CE3-CB 4.03Å; W458-E474 HydrophobicContact CH2-CB 3.82Å; W458-E474 HydrophobicContact CH2-CG 4.28Å; W458-E474 HydrophobicContact CZ2-CB 3.76Å; W458-E474 HydrophobicContact CZ2-CG 3.72Å; W458-E474 WeakPolarHBondContact CZ2-OE1 3.35Å; W458-E474 WeakPolarHBondContact CZ2-OE2 3.48Å; W458-E474 HydrophobicContact CZ3-CB 3.94Å; W458-E474 PolarHBondContact NE1-OE1 3.36Å
459L95.7Very high81.9Confident0 Ų044.4 Ų44.40%026%0.257CS..EExtended strand (participates in β ladder)trans-85.1119162.8-178.968000108V301 L345 A356 I357 L360 L472 A473V301-L459 HydrophobicContact CG2-CD1 4.17Å; L345-L459 HydrophobicContact CD1-CD1 3.9Å; A356-L459 HydrophobicContact CB-CD2 4.08Å; I357-L459 HydrophobicContact CD1-CD2 4.48Å; I357-L459 HydrophobicContact CG1-CD2 3.65Å; L360-L459 HydrophobicContact CD2-CB 4.29Å; L459-L472 HydrophobicContact CD2-CD1 4.44Å; L459-L472 WeakPolarHBondContact O-CB 3.36Å; L459-L472 PolarHBondContact O-N 3.26Å; L459-A473 PolarHBondContact N-O 3.42Å; L459-A473 PolarHBondContact O-N 3.5Å
460C94.3Very high82.4Confident0 Ų046.5 Ų46.50%026%0.263CS..EExtended strand (participates in β ladder)trans-121.2138.4-176.4-69.20000111.4H299 F300 F469 Q470H299-C460 CarbonylContact C-O 3.57Å; H299-C460 VanDerWaalsContact CA-O 3.23Å; H299-C460 WeakPolarHBondContact CA-O 3.37Å; F300-C460 HydrophobicContact CD1-CB 3.8Å; F300-C460 WeakPolarHBondContact CD1-O 3.21Å; F300-C460 HydrophobicContact CD2-CB 4.24Å; F300-C460 HydrophobicContact CE1-CB 3.33Å; F300-C460 HydrophobicContact CE2-CB 3.8Å; F300-C460 HydrophobicContact CG-CB 4.24Å; F300-C460 HydrophobicContact CZ-CB 3.34Å; F300-C460 PolarHBondContact N-O 3.11Å; F300-C460 PolarHBondContact O-N 3.24Å; C460-F469 HydrophobicContact CB-CD2 3.97Å; C460-Q470 CarbonylContact C-O 3.42Å; C460-Q470 WeakPolarHBondContact CA-O 3.39Å
461R92.3Very high82.9Confident80 Ų8049.6 Ų49.630%0.30228%0.283SS..EExtended strand (participates in β ladder)trans-84.9130.2167.1-173.5-175.9-66.2146.2-13.8109.4H299 E353 G463 F469 Q470 L472H299-R461 VanDerWaalsContact CD2-CA 3.41Å; H299-R461 WeakPolarHBondContact CD2-CA 3.48Å; H299-R461 WeakPolarHBondContact NE2-CB 3.39Å; H299-R461 WeakPolarHBondContact NE2-CG 3.16Å; E353-R461 IonicContact OE1-CZ 2.66Å; E353-R461 IonicContact OE1-NE 2.69Å; E353-R461 PolarHBondContact OE1-NE 3.15Å; E353-R461 IonicContact OE1-NH2 2.81Å; E353-R461 PolarHBondContact OE1-NH2 3.28Å; E353-R461 IonicContact OE2-CZ 3.24Å; E353-R461 IonicContact OE2-NH2 3Å; E353-R461 PolarHBondContact OE2-NH2 3.24Å; R461-G463 PolarHBondContact O-N 3.24Å; R461-F469 WeakPolarHBondContact O-CA 3.31Å; R461-F469 VanDerWaalsContact O-CB 3.28Å; R461-F469 WeakPolarHBondContact O-CB 3.35Å; R461-Q470 HydrophobicContact CB-CB 4.35Å; R461-Q470 PolarHBondContact N-O 2.94Å; R461-Q470 PolarHBondContact O-N 3.21Å; R461-L472 HydrophobicContact CB-CD1 4.19Å; R461-L472 HydrophobicContact CB-CD2 4.19Å; R461-L472 HydrophobicContact CB-CG 4.23Å
462I88.7Confident83.2Confident58 Ų5851.4 Ų51.430%0.29729%0.292SS..PPolyproline II helixtrans-67.2129.7178.6-62.8177.8000108.9P297 T298 F300P297-I462 HydrophobicContact CB-CD1 3.82Å; P297-I462 HydrophobicContact CG-CD1 3.87Å; T298-I462 WeakPolarHBondContact O-CB 3.38Å; T298-I462 PolarHBondContact O-N 3.03Å; F300-I462 HydrophobicContact CD1-CD1 4.3Å; F300-I462 HydrophobicContact CD1-CG1 3.54Å; F300-I462 HydrophobicContact CE1-CG1 3.96Å
463G71.7Confident83.2Confident19 Ų1952 Ų5220%0.19630%0.297CS..PPolyproline II helixtrans-61152.6177.700000112.7R461 P468R461-G463 PolarHBondContact O-N 3.24Å; G463-P468 VanDerWaalsContact CA-O 3.28Å; G463-P468 WeakPolarHBondContact CA-O 3.41Å
464R63.4Low83.3Confident154 Ų15455.3 Ų55.358%0.58131%0.311SS*.SBendtrans-57.7159163.8-67.2-173.8174.8-125.517.6109.5D81 D84 G466 G467D81-R464 WeakPolarHBondContact OD2-CD 3.41Å; D81-R464 VanDerWaalsContact OD2-CG 3.22Å; D81-R464 WeakPolarHBondContact OD2-CG 3.49Å; D81-R464 IonicContact OD2-CZ 3.18Å; D81-R464 IonicContact OD2-NE 2.71Å; D81-R464 PolarHBondContact OD2-NE 2.98Å; D81-R464 IonicContact OD2-NH1 3.16Å; D81-R464 PolarHBondContact OD2-NH1 3Å; D84-R464 IonicContact OD1-NH1 3.19Å; D84-R464 PolarHBondContact OD1-NH1 3.06Å; R464-G466 PolarHBondContact O-N 2.87Å; R464-G467 PolarHBondContact O-N 3.44Å
465T51.4Low83.5Confident57 Ų5755 Ų5535%0.3531%0.309SS..THydrogen-bonded Turntrans-42.5104.9-167.554.50000114.8P78 L80 D81P78-T465 VanDerWaalsContact O-CB 3.23Å; P78-T465 WeakPolarHBondContact O-CB 3.42Å; P78-T465 WeakPolarHBondContact O-CG2 3.46Å; L80-T465 WeakPolarHBondContact O-CG2 3.15Å; D81-T465 HydrophobicContact CB-CG2 4.47Å
466G50.6Low83.5Confident92 Ų9251.9 Ų51.995%0.94830%0.3SS*.THydrogen-bonded Turntrans86.7-7.4178.400000116.2R464R464-G466 PolarHBondContact O-N 2.87Å
467G58.3Low83.2Confident40 Ų4052.3 Ų52.341%0.41230%0.301SS..SBendtrans-79.8164.8174.900000113.7R464R464-G467 PolarHBondContact O-N 3.44Å
468P72.3Confident81.8Confident89 Ų8962.5 Ų62.558%0.57835%0.349SS*.PPolyproline II helixtrans-62.7154.5171.729.6-35.5000111.1G463G463-P468 VanDerWaalsContact CA-O 3.28Å; G463-P468 WeakPolarHBondContact CA-O 3.41Å
469F84.9Confident81.1Confident30 Ų3062.9 Ų62.913%0.13236%0.356CS..PPolyproline II helixtrans-74.6157167.555.6-95.3000110.6F300 M304 N337 H339 C460 R461F300-F469 HydrophobicContact CE1-CB 3.76Å; F300-F469 HydrophobicContact CE1-CD2 4.49Å; F300-F469 HydrophobicContact CE1-CG 4.05Å; F300-F469 HydrophobicContact CZ-CB 3.88Å; F300-F469 AromaticContact CZ-CD1 3.89Å; F300-F469 HydrophobicContact CZ-CD1 3.89Å; F300-F469 AromaticContact CZ-CD2 3.88Å; F300-F469 HydrophobicContact CZ-CD2 3.88Å; F300-F469 HydrophobicContact CZ-CE1 4.37Å; F300-F469 HydrophobicContact CZ-CE2 4.36Å; F300-F469 AromaticContact CZ-CG 3.62Å; F300-F469 HydrophobicContact CZ-CG 3.62Å; M304-F469 HydrophobicContact CE-CE2 3.89Å; M304-F469 HydrophobicContact CE-CZ 3.74Å; M304-F469 HydrophobicContact SD-CE2 3.61Å; M304-F469 HydrophobicContact SD-CZ 3.61Å; N337-F469 HydrophobicContact CB-CE1 3.92Å; H339-F469 AromaticContact CE1-CE1 3.81Å; H339-F469 AromaticContact ND1-CE1 3.46Å; H339-F469 WeakPolarHBondContact ND1-CE1 3.44Å; H339-F469 AromaticContact ND1-CZ 3.9Å; C460-F469 HydrophobicContact CB-CD2 3.97Å; R461-F469 WeakPolarHBondContact O-CA 3.31Å; R461-F469 VanDerWaalsContact O-CB 3.28Å; R461-F469 WeakPolarHBondContact O-CB 3.35Å
470Q89Confident80.3Confident102 Ų10266.2 Ų66.248%0.47737%0.374SS..EExtended strand (participates in β ladder)trans-105.6115.7176.8-178.4-179.810.500109.2C460 R461 L472C460-Q470 CarbonylContact C-O 3.42Å; C460-Q470 WeakPolarHBondContact CA-O 3.39Å; R461-Q470 HydrophobicContact CB-CB 4.35Å; R461-Q470 PolarHBondContact N-O 2.94Å; R461-Q470 PolarHBondContact O-N 3.21Å; Q470-L472 HydrophobicContact CG-CD2 4.21Å; Q470-L472 PolarHBondContact O-N 3.42Å
471P91Very high79.6Confident66 Ų6669.8 Ų69.843%0.42940%0.395SS..EExtended strand (participates in β ladder)trans-63.9134.3167.326.7-32.2000109.9W458W458-P471 HydrophobicContact CE3-CB 3.47Å; W458-P471 VanDerWaalsContact CE3-CB 3.47Å; W458-P471 HydrophobicContact CZ3-CB 3.63Å; W458-P471 HydrophobicContact CZ3-CG 4.36Å
472L92.6Very high78.8Confident48 Ų4869.2 Ų69.225%0.25140%0.401SS..EExtended strand (participates in β ladder)trans-105.7-38.9178.1-58-176.1000112E353 L459 R461 Q470E353-L472 HydrophobicContact CB-CD1 4.19Å; E353-L472 HydrophobicContact CG-CD1 3.88Å; L459-L472 HydrophobicContact CD2-CD1 4.44Å; L459-L472 WeakPolarHBondContact O-CB 3.36Å; L459-L472 PolarHBondContact O-N 3.26Å; R461-L472 HydrophobicContact CB-CD1 4.19Å; R461-L472 HydrophobicContact CB-CD2 4.19Å; R461-L472 HydrophobicContact CB-CG 4.23Å; Q470-L472 HydrophobicContact CG-CD2 4.21Å; Q470-L472 PolarHBondContact O-N 3.42Å
473A93.6Very high78.2Confident14 Ų1469.9 Ų69.912%0.11641%0.407CS..EExtended strand (participates in β ladder)trans-153.5141.1175.700000111.5I357 W458 L459I357-A473 HydrophobicContact CD1-CB 3.73Å; I357-A473 HydrophobicContact CG1-CB 3.73Å; I357-A473 HydrophobicContact CG2-CB 4.01Å; W458-A473 WeakPolarHBondContact CA-O 3.33Å; L459-A473 PolarHBondContact N-O 3.42Å; L459-A473 PolarHBondContact O-N 3.5Å
474E94.9Very high78.6Confident90 Ų9073.3 Ų73.342%0.42142%0.421SS..EExtended strand (participates in β ladder)trans-91.3141.1161-174.3165.8-142.800109.6T456 W458T456-E474 WeakPolarHBondContact CB-OE1 3.23Å; T456-E474 HydrophobicContact CG2-CG 4.01Å; T456-E474 VanDerWaalsContact CG2-OE1 3.3Å; T456-E474 WeakPolarHBondContact CG2-OE1 3.26Å; T456-E474 PolarHBondContact OG1-OE1 3.41Å; W458-E474 HydrophobicContact CD2-CB 4.01Å; W458-E474 HydrophobicContact CD2-CG 4.24Å; W458-E474 HydrophobicContact CE3-CB 4.03Å; W458-E474 HydrophobicContact CH2-CB 3.82Å; W458-E474 HydrophobicContact CH2-CG 4.28Å; W458-E474 HydrophobicContact CZ2-CB 3.76Å; W458-E474 HydrophobicContact CZ2-CG 3.72Å; W458-E474 WeakPolarHBondContact CZ2-OE1 3.35Å; W458-E474 WeakPolarHBondContact CZ2-OE2 3.48Å; W458-E474 HydrophobicContact CZ3-CB 3.94Å; W458-E474 PolarHBondContact NE1-OE1 3.36Å
475I94.3Very high79.7Confident4 Ų467.6 Ų67.62%0.02141%0.41CS..EExtended strand (participates in β ladder)trans-138.8122.4178.4-58.2166000108.2I357 L360 R361 L364 T456 L457I357-I475 HydrophobicContact CG2-CD1 4.38Å; L360-I475 HydrophobicContact CB-CD1 3.86Å; L360-I475 HydrophobicContact CD2-CD1 3.59Å; L360-I475 HydrophobicContact CG-CD1 3.56Å; R361-I475 HydrophobicContact CG-CD1 3.98Å; R361-I475 HydrophobicContact CG-CG1 4.05Å; R361-I475 HydrophobicContact CG-CG2 3.66Å; L364-I475 HydrophobicContact CD1-CB 4.4Å; L364-I475 HydrophobicContact CD1-CG2 3.8Å; T456-I475 WeakPolarHBondContact CA-O 3.38Å; L457-I475 PolarHBondContact N-O 3.44Å; L457-I475 PolarHBondContact O-N 3.36Å
476P91.4Very high81.9Confident62 Ų6268.4 Ų68.440%0.40341%0.414SS..EExtended strand (participates in β ladder)trans-70.1155.4176.430.1-34.9000112.4E478P476-E478 HydrophobicContact CB-CG 4.19Å; P476-E478 HydrophobicContact CG-CG 4.07Å
477L85.3Confident84.5Confident38 Ų3866.4 Ų66.420%0.19937%0.37CS..  trans-94.6100.7162.4-66.8162.4000106.9L364 L369 A371 M399 L454 Q455 L457L364-L477 HydrophobicContact CB-CD2 4.36Å; L364-L477 HydrophobicContact CD1-CD2 3.97Å; L364-L477 HydrophobicContact CD2-CD2 3.84Å; L364-L477 HydrophobicContact CG-CD2 4.25Å; L369-L477 HydrophobicContact CD2-CD2 4.05Å; A371-L477 HydrophobicContact CB-CD1 4.41Å; M399-L477 HydrophobicContact CE-CD1 4.13Å; M399-L477 HydrophobicContact CE-CD2 3.96Å; L454-L477 HydrophobicContact CD1-CD1 3.51Å; L454-L477 HydrophobicContact CD2-CD1 4.39Å; L454-L477 HydrophobicContact CG-CD1 3.56Å; Q455-L477 PolarHBondContact O-N 3.32Å; L457-L477 HydrophobicContact CD1-CD2 4.12Å; L457-L477 HydrophobicContact CD2-CD1 4.47Å; L457-L477 HydrophobicContact CG-CD1 4.09Å; L457-L477 HydrophobicContact CG-CD2 4.36Å; L457-L477 HydrophobicContact CG-CG 4.28Å
478E66.5Low86.9Confident214 Ų21468.8 Ų68.8100%137%0.366SS*.  trans-92.80177.5-62.4-175.5159.800111.8P476P476-E478 HydrophobicContact CB-CG 4.19Å; P476-E478 HydrophobicContact CG-CG 4.07Å

Retrieved 478 of 478 residues in 246 ms (Link to these results)