A0A3Q0KUT0_SCHMA Loading...

DUF4708 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KUT0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 262 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M50.2Low46.8Very low236 Ų236119.6 Ų119.6100%1.16378%0.78SS**  0890-68.1-66.7-10800108
2S38Very low47.7Very low128 Ų128119.8 Ų119.890%0.89576%0.762SS**  trans-75.5128.9-171.4-62.70000111.6A4S2-A4 PolarHBondContact O-N 3.19Å
3V45.1Very low49.2Very low147 Ų147122 Ų12289%0.89176%0.763SS**  trans-76.6103.2173.2-175.10000107.7A5V3-A5 PolarHBondContact O-N 3.05Å
4A44.1Very low51Low89 Ų89122.3 Ų122.374%0.73677%0.769SS**  trans-68.9124.3175.900000110.3S2S2-A4 PolarHBondContact O-N 3.19Å
5A39.7Very low52.6Low108 Ų108126.9 Ų126.989%0.89377%0.766SS**  trans-70.4124.8165.900000109.3V3V3-A5 PolarHBondContact O-N 3.05Å
6G41.5Very low54.3Low68 Ų68127.5 Ų127.570%0.70175%0.751SS**  trans139.772.8170.500000113.9
7I48.9Very low56.1Low127 Ų127127.1 Ų127.165%0.65174%0.744SS**  trans-133.390.7162.8-43.2172.7000109.5A9 H12I7-A9 HydrophobicContact CG2-CB 4.3Å; I7-A9 PolarHBondContact O-N 3.03Å; I7-H12 VanDerWaalsContact CG2-NE2 3.35Å; I7-H12 WeakPolarHBondContact CG2-NE2 3.41Å
8T47.9Very low57.6Low150 Ų150129.7 Ų129.792%0.9275%0.745SS**  trans-79.387.3163.744.10000108.8
9A47.9Very low58.8Low42 Ų42126.1 Ų126.135%0.34774%0.739SS.*  trans-153.8130.216800000111.6I7 V11I7-A9 HydrophobicContact CG2-CB 4.3Å; I7-A9 PolarHBondContact O-N 3.03Å; A9-V11 PolarHBondContact O-N 3.15Å
10P56.6Low59.7Low105 Ų105128 Ų12868%0.68274%0.74SS**G310 helixtrans-66.4-1.4179.525.3-32.2000114.5
11V54.9Low60.4Low116 Ų116125 Ų12570%0.70373%0.725SS**G310 helixtrans-79.2-20-173.7-173.20000112.7A9 L13A9-V11 PolarHBondContact O-N 3.15Å; V11-L13 PolarHBondContact O-N 2.78Å
12H57.4Low61.5Low122 Ų122117.2 Ų117.257%0.56569%0.691SS**G310 helixtrans-76.2-3.4178.9-68.7-68.1000115.1I7I7-H12 VanDerWaalsContact CG2-NE2 3.35Å; I7-H12 WeakPolarHBondContact CG2-NE2 3.41Å
13L68.1Low63.7Low148 Ų148114.1 Ų114.178%0.77567%0.669SS**G310 helixtrans-85.6-28.1-177.6-67.6168.5000113V11 R15V11-L13 PolarHBondContact O-N 2.78Å; L13-R15 PolarHBondContact O-N 3.15Å; L13-R15 VanDerWaalsContact O-N 3.1Å
14C73.4Confident65.6Low126 Ų126112 Ų11285%0.85166%0.659SS**  trans-87.874-178.3-64.40000110.6
15R74.8Confident67.6Low191 Ų191113.1 Ų113.172%0.72165%0.652SS**  trans-115.5142.9173.668.6179.4-174.81491.2111.3L13 L17L13-R15 PolarHBondContact O-N 3.15Å; L13-R15 VanDerWaalsContact O-N 3.1Å; R15-L17 HydrophobicContact CG-CD2 4.19Å; R15-L17 PolarHBondContact O-N 3.02Å
16R81Confident69.9Low137 Ų137115.2 Ų115.252%0.51764%0.637SS.*  trans-69.3122.1169.6-160.8-167.8173.610735.8108.5F18 G19 E20 P21R16-F18 WeakPolarHBondContact CD-O 3.31Å; R16-F18 WeakPolarHBondContact CG-O 3.46Å; R16-F18 PolarHBondContact NE-O 2.91Å; R16-G19 VanDerWaalsContact NE-C 3.31Å; R16-G19 PolarHBondContact NE-O 2.91Å; R16-G19 PolarHBondContact NH2-O 3.27Å; R16-E20 IonicContact CZ-OE2 3.76Å; R16-E20 IonicContact NH1-OE1 3.68Å; R16-E20 IonicContact NH1-OE2 2.99Å; R16-E20 PolarHBondContact NH1-OE2 3.03Å; R16-E20 VanDerWaalsContact NH2-C 3.3Å; R16-P21 VanDerWaalsContact CZ-CD 3.46Å; R16-P21 VanDerWaalsContact NH2-CB 3.28Å
17L84Confident72.2Confident121 Ų121115.6 Ų115.663%0.63462%0.622SS**  trans-82.2-28.7-176.3-63.7178.1000113R15R15-L17 HydrophobicContact CG-CD2 4.19Å; R15-L17 PolarHBondContact O-N 3.02Å
18F83.7Confident74.2Confident174 Ų174113.7 Ų113.776%0.76361%0.61SS**SBendtrans-128.9163.4-176.5-57.3-71.7000110R16R16-F18 WeakPolarHBondContact CD-O 3.31Å; R16-F18 WeakPolarHBondContact CG-O 3.46Å; R16-F18 PolarHBondContact NE-O 2.91Å
19G79.8Confident76.3Confident61 Ų61111.6 Ų111.663%0.62959%0.59SS**SBendtrans-59.4-171.6-178.300000115R16R16-G19 VanDerWaalsContact NE-C 3.31Å; R16-G19 PolarHBondContact NE-O 2.91Å; R16-G19 PolarHBondContact NH2-O 3.27Å
20E76.9Confident78.5Confident163 Ų163113 Ų11376%0.76260%0.595SS**SBendtrans-50.9135.1-175.1-159.352.3-145.600111.8R16 V22R16-E20 IonicContact CZ-OE2 3.76Å; R16-E20 IonicContact NH1-OE1 3.68Å; R16-E20 IonicContact NH1-OE2 2.99Å; R16-E20 PolarHBondContact NH1-OE2 3.03Å; R16-E20 VanDerWaalsContact NH2-C 3.3Å; E20-V22 PolarHBondContact O-N 2.95Å
21P74Confident80.4Confident65 Ų65112.6 Ų112.642%0.42259%0.586SS.*PPolyproline II helixtrans-75141-168.225.3-11.4000105R16 S23 I27R16-P21 VanDerWaalsContact CZ-CD 3.46Å; R16-P21 VanDerWaalsContact NH2-CB 3.28Å; P21-S23 PolarHBondContact O-N 3.19Å; P21-I27 HydrophobicContact CB-CD1 4.39Å
22V74.5Confident82.1Confident74 Ų74111 Ų11145%0.44857%0.571SS.*PPolyproline II helixtrans-50.6141.1158.6-1720000107.2E20 C24 R26 I27E20-V22 PolarHBondContact O-N 2.95Å; V22-C24 PolarHBondContact O-N 2.93Å; V22-R26 HydrophobicContact CG1-CB 3.73Å; V22-R26 VanDerWaalsContact CG1-CD 3.42Å; V22-R26 HydrophobicContact CG1-CG 3.96Å; V22-I27 HydrophobicContact CB-CG1 4.27Å; V22-I27 WeakPolarHBondContact O-CD1 3.4Å
23S83.4Confident83.9Confident63 Ų63107.7 Ų107.744%0.44156%0.559SS.*  trans-43.8135.7-175.263.50000111.5P21 I25 R26 I27P21-S23 PolarHBondContact O-N 3.19Å; S23-I25 PolarHBondContact O-N 2.9Å; S23-R26 WeakPolarHBondContact O-CA 3.41Å; S23-R26 PolarHBondContact O-N 2.9Å; S23-R26 WeakPolarHBondContact OG-CB 3.25Å; S23-R26 PolarHBondContact OG-N 2.91Å; S23-I27 PolarHBondContact O-N 3.41Å; S23-I27 VanDerWaalsContact O-N 3.08Å
24C84.6Confident85.1Confident102 Ų102105.4 Ų105.469%0.68955%0.547SS*.Hα-helixtrans-50-38.7-177.4-173.50000111.5V22 R26 I27 Q28V22-C24 PolarHBondContact O-N 2.93Å; C24-R26 PolarHBondContact O-N 3.5Å; C24-I27 PolarHBondContact O-N 3.18Å; C24-Q28 WeakPolarHBondContact O-CB 3.33Å; C24-Q28 PolarHBondContact O-N 2.89Å
25I87.5Confident86Confident112 Ų112104.2 Ų104.257%0.57453%0.531SS*.Hα-helixtrans-57.3-47.6174.5-60.7167.2000111.8S23 I27 Q28 Q29S23-I25 PolarHBondContact O-N 2.9Å; I25-I27 VanDerWaalsContact C-N 3.35Å; I25-I27 PolarHBondContact O-N 3.13Å; I25-Q28 PolarHBondContact O-N 2.89Å; I25-Q29 HydrophobicContact CG2-CG 4.41Å; I25-Q29 WeakPolarHBondContact O-CB 3.45Å; I25-Q29 VanDerWaalsContact O-CG 3.27Å; I25-Q29 WeakPolarHBondContact O-CG 3.25Å; I25-Q29 PolarHBondContact O-N 3.33Å
26R87.6Confident86.7Confident152 Ų152102.2 Ų102.257%0.57452%0.523SS*.Hα-helixtrans-67.1-38.1179.3-163.8-176.9-49176.5-9.2111.3V22 S23 C24 T30V22-R26 HydrophobicContact CG1-CB 3.73Å; V22-R26 VanDerWaalsContact CG1-CD 3.42Å; V22-R26 HydrophobicContact CG1-CG 3.96Å; S23-R26 WeakPolarHBondContact O-CA 3.41Å; S23-R26 PolarHBondContact O-N 2.9Å; S23-R26 WeakPolarHBondContact OG-CB 3.25Å; S23-R26 PolarHBondContact OG-N 2.91Å; C24-R26 PolarHBondContact O-N 3.5Å; R26-T30 VanDerWaalsContact O-CB 3.3Å; R26-T30 WeakPolarHBondContact O-CB 3.29Å; R26-T30 PolarHBondContact O-N 3.04Å; R26-T30 PolarHBondContact O-OG1 3.31Å
27I88.4Confident87.2Confident77 Ų77102.7 Ų102.740%0.39553%0.529SS..Hα-helixtrans-61.4-48.1175.3-63.9174.5000109.7P21 V22 S23 C24 I25 T30 L31P21-I27 HydrophobicContact CB-CD1 4.39Å; V22-I27 HydrophobicContact CB-CG1 4.27Å; V22-I27 WeakPolarHBondContact O-CD1 3.4Å; S23-I27 PolarHBondContact O-N 3.41Å; S23-I27 VanDerWaalsContact O-N 3.08Å; C24-I27 PolarHBondContact O-N 3.18Å; I25-I27 VanDerWaalsContact C-N 3.35Å; I25-I27 PolarHBondContact O-N 3.13Å; I27-T30 PolarHBondContact O-N 3.35Å; I27-L31 HydrophobicContact CG2-CD1 4.04Å; I27-L31 HydrophobicContact CG2-CG 4.48Å; I27-L31 WeakPolarHBondContact O-CG 3.34Å; I27-L31 PolarHBondContact O-N 3.49Å
28Q91.4Very high87.5Confident86 Ų86101.1 Ų101.140%0.40252%0.522SS..Hα-helixtrans-59.2-51.9177.7-179.6178-15.600111.6C24 I25 T30 L31 E32C24-Q28 WeakPolarHBondContact O-CB 3.33Å; C24-Q28 PolarHBondContact O-N 2.89Å; I25-Q28 PolarHBondContact O-N 2.89Å; Q28-T30 VanDerWaalsContact C-N 3.25Å; Q28-T30 PolarHBondContact O-N 3.37Å; Q28-L31 PolarHBondContact O-N 3.13Å; Q28-L31 VanDerWaalsContact O-N 3.14Å; Q28-E32 HydrophobicContact CG-CG 4.43Å; Q28-E32 WeakPolarHBondContact CG-OE1 3.45Å; Q28-E32 PolarHBondContact NE2-OE1 3.5Å; Q28-E32 WeakPolarHBondContact O-CG 3.38Å; Q28-E32 PolarHBondContact O-N 3.01Å
29Q93.4Very high87.6Confident106 Ų10696.4 Ų96.450%0.49550%0.504SS..Hα-helixtrans-58.1-37.6177.3-73172-17.500112.5I25 T33I25-Q29 HydrophobicContact CG2-CG 4.41Å; I25-Q29 WeakPolarHBondContact O-CB 3.45Å; I25-Q29 VanDerWaalsContact O-CG 3.27Å; I25-Q29 WeakPolarHBondContact O-CG 3.25Å; I25-Q29 PolarHBondContact O-N 3.33Å; Q29-T33 WeakPolarHBondContact O-CB 3.27Å; Q29-T33 PolarHBondContact O-N 2.82Å; Q29-T33 PolarHBondContact O-OG1 3.11Å
30T93.6Very high87.8Confident73 Ų7397.8 Ų97.845%0.44850%0.497SS..Hα-helixtrans-66.2-47.4176.6-57.80000110.7R26 I27 Q28 T33 I34R26-T30 VanDerWaalsContact O-CB 3.3Å; R26-T30 WeakPolarHBondContact O-CB 3.29Å; R26-T30 PolarHBondContact O-N 3.04Å; R26-T30 PolarHBondContact O-OG1 3.31Å; I27-T30 PolarHBondContact O-N 3.35Å; Q28-T30 VanDerWaalsContact C-N 3.25Å; Q28-T30 PolarHBondContact O-N 3.37Å; T30-T33 PolarHBondContact O-N 2.83Å; T30-I34 HydrophobicContact CG2-CD1 4Å; T30-I34 WeakPolarHBondContact O-CG1 3.46Å; T30-I34 PolarHBondContact O-N 3.4Å
31L95.3Very high88.2Confident96 Ų9698 Ų9850%0.50349%0.491SS..Hα-helixtrans-61.8-44.9176.8-70.9173000111.6I27 Q28 T33 I34 I35I27-L31 HydrophobicContact CG2-CD1 4.04Å; I27-L31 HydrophobicContact CG2-CG 4.48Å; I27-L31 WeakPolarHBondContact O-CG 3.34Å; I27-L31 PolarHBondContact O-N 3.49Å; Q28-L31 PolarHBondContact O-N 3.13Å; Q28-L31 VanDerWaalsContact O-N 3.14Å; L31-T33 VanDerWaalsContact C-N 3.28Å; L31-T33 PolarHBondContact O-N 3.42Å; L31-I34 PolarHBondContact O-N 2.91Å; L31-I35 WeakPolarHBondContact O-CB 3.15Å; L31-I35 VanDerWaalsContact O-CG1 3.23Å; L31-I35 WeakPolarHBondContact O-CG1 3.36Å; L31-I35 PolarHBondContact O-N 2.91Å
32E92.4Very high88.7Confident83 Ų8399 Ų9939%0.38849%0.489SS..Hα-helixtrans-59.6-39175.6-73.9171.5-175.900112Q28 R36Q28-E32 HydrophobicContact CG-CG 4.43Å; Q28-E32 WeakPolarHBondContact CG-OE1 3.45Å; Q28-E32 PolarHBondContact NE2-OE1 3.5Å; Q28-E32 WeakPolarHBondContact O-CG 3.38Å; Q28-E32 PolarHBondContact O-N 3.01Å; E32-R36 WeakPolarHBondContact O-CB 3.42Å; E32-R36 VanDerWaalsContact O-CG 3.3Å; E32-R36 WeakPolarHBondContact O-CG 2.96Å; E32-R36 PolarHBondContact O-N 3.24Å; E32-R36 PolarHBondContact O-NE 3.45Å
33T93.4Very high89Confident52 Ų5298 Ų9832%0.31948%0.479SS..Hα-helixtrans-68.8-40.3176.7-57.90000112Q29 T30 L31 R36 K37Q29-T33 WeakPolarHBondContact O-CB 3.27Å; Q29-T33 PolarHBondContact O-N 2.82Å; Q29-T33 PolarHBondContact O-OG1 3.11Å; T30-T33 PolarHBondContact O-N 2.83Å; L31-T33 VanDerWaalsContact C-N 3.28Å; L31-T33 PolarHBondContact O-N 3.42Å; T33-R36 PolarHBondContact O-N 3.26Å; T33-R36 PolarHBondContact OG1-NH2 3.14Å; T33-R36 VanDerWaalsContact OG1-NH2 3.14Å; T33-K37 HydrophobicContact CG2-CD 4.48Å; T33-K37 WeakPolarHBondContact O-CG 3.37Å; T33-K37 PolarHBondContact O-N 3.49Å
34I94.6Very high88.9Confident100 Ų100100.6 Ų100.651%0.51349%0.488SS..Hα-helixtrans-63.4-46.5175-68.8165.4000110.3T30 L31 R36 K37 D38T30-I34 HydrophobicContact CG2-CD1 4Å; T30-I34 WeakPolarHBondContact O-CG1 3.46Å; T30-I34 PolarHBondContact O-N 3.4Å; L31-I34 PolarHBondContact O-N 2.91Å; I34-R36 PolarHBondContact O-N 2.85Å; I34-K37 PolarHBondContact O-N 3.31Å; I34-D38 PolarHBondContact O-N 2.82Å
35I91.1Very high88.7Confident101 Ų101101.7 Ų101.752%0.51848%0.481SS..Hα-helixtrans-59.5-48.2178-68165.9000109.9L31 K37 D38 L39L31-I35 WeakPolarHBondContact O-CB 3.15Å; L31-I35 VanDerWaalsContact O-CG1 3.23Å; L31-I35 WeakPolarHBondContact O-CG1 3.36Å; L31-I35 PolarHBondContact O-N 2.91Å; I35-K37 PolarHBondContact O-N 2.89Å; I35-D38 PolarHBondContact O-N 3.47Å; I35-L39 HydrophobicContact CG2-CD1 3.94Å; I35-L39 HydrophobicContact CG2-CG 4.28Å; I35-L39 VanDerWaalsContact O-CG 3.27Å; I35-L39 WeakPolarHBondContact O-CG 3.3Å; I35-L39 PolarHBondContact O-N 3.15Å
36R89.4Confident88.3Confident148 Ų148100.1 Ų100.156%0.55847%0.468SS*.Hα-helixtrans-57.8-48.3177.4-77.1-177.1-68.7163-1.5112.6E32 T33 I34 D38 L39 D40E32-R36 WeakPolarHBondContact O-CB 3.42Å; E32-R36 VanDerWaalsContact O-CG 3.3Å; E32-R36 WeakPolarHBondContact O-CG 2.96Å; E32-R36 PolarHBondContact O-N 3.24Å; E32-R36 PolarHBondContact O-NE 3.45Å; T33-R36 PolarHBondContact O-N 3.26Å; T33-R36 PolarHBondContact OG1-NH2 3.14Å; T33-R36 VanDerWaalsContact OG1-NH2 3.14Å; I34-R36 PolarHBondContact O-N 2.85Å; R36-D38 VanDerWaalsContact C-N 3.28Å; R36-D38 PolarHBondContact O-N 3.35Å; R36-L39 WeakPolarHBondContact O-CB 3.45Å; R36-L39 PolarHBondContact O-N 2.86Å; R36-L39 VanDerWaalsContact O-N 3.15Å; R36-D40 VanDerWaalsContact O-CG 3.28Å; R36-D40 PolarHBondContact O-N 3.27Å
37K91.8Very high87.7Confident147 Ų14793.9 Ų93.964%0.63945%0.446SS*.Hα-helixtrans-59.9-38177.4-74.5-179.6176.6-175.30112.8T33 I34 I35 R41T33-K37 HydrophobicContact CG2-CD 4.48Å; T33-K37 WeakPolarHBondContact O-CG 3.37Å; T33-K37 PolarHBondContact O-N 3.49Å; I34-K37 PolarHBondContact O-N 3.31Å; I35-K37 PolarHBondContact O-N 2.89Å; K37-R41 WeakPolarHBondContact O-CB 3.21Å; K37-R41 PolarHBondContact O-N 3.02Å
38D90.4Very high87Confident89 Ų8991.4 Ų91.448%0.47643%0.432SS..Hα-helixtrans-72-36.3177.3-16455.3000111.9I34 I35 R36 R41 F42I34-D38 PolarHBondContact O-N 2.82Å; I35-D38 PolarHBondContact O-N 3.47Å; R36-D38 VanDerWaalsContact C-N 3.28Å; R36-D38 PolarHBondContact O-N 3.35Å; D38-R41 PolarHBondContact O-N 3.36Å; D38-R41 IonicContact OD1-NH1 3.7Å; D38-F42 WeakPolarHBondContact O-CB 3.32Å; D38-F42 PolarHBondContact O-N 3.47Å
39L86.8Confident85.9Confident75 Ų7591.9 Ų91.939%0.39344%0.435SS..Hα-helixtrans-62.4-45171.9-67.4171.8000111.5I35 R36 R41 F42 Q43 P50I35-L39 HydrophobicContact CG2-CD1 3.94Å; I35-L39 HydrophobicContact CG2-CG 4.28Å; I35-L39 VanDerWaalsContact O-CG 3.27Å; I35-L39 WeakPolarHBondContact O-CG 3.3Å; I35-L39 PolarHBondContact O-N 3.15Å; R36-L39 WeakPolarHBondContact O-CB 3.45Å; R36-L39 PolarHBondContact O-N 2.86Å; R36-L39 VanDerWaalsContact O-N 3.15Å; L39-R41 PolarHBondContact O-N 3.46Å; L39-F42 PolarHBondContact O-N 3.15Å; L39-Q43 VanDerWaalsContact O-CB 3.29Å; L39-Q43 WeakPolarHBondContact O-CB 3.23Å; L39-Q43 PolarHBondContact O-N 3.21Å; L39-P50 HydrophobicContact CB-CG 4.45Å; L39-P50 HydrophobicContact CD2-CB 3.58Å; L39-P50 HydrophobicContact CD2-CG 3.62Å
40D83.5Confident84.6Confident89 Ų8987.9 Ų87.948%0.47642%0.418SS..Hα-helixtrans-61.9-44.9176.8-65.4-26.5000111.1R36 F42 Q43 N44R36-D40 VanDerWaalsContact O-CG 3.28Å; R36-D40 PolarHBondContact O-N 3.27Å; D40-F42 VanDerWaalsContact C-N 3.34Å; D40-F42 PolarHBondContact O-N 2.9Å; D40-Q43 PolarHBondContact O-N 2.88Å; D40-N44 WeakPolarHBondContact O-CB 3.4Å; D40-N44 PolarHBondContact O-N 3.01Å; D40-N44 PolarHBondContact O-ND2 3.49Å
41R86.3Confident83.2Confident169 Ų16988.6 Ų88.664%0.63842%0.424SS*.Hα-helixtrans-60.3-43.3175180-175.4171.8-129.32.3111.7K37 D38 L39 K45K37-R41 WeakPolarHBondContact O-CB 3.21Å; K37-R41 PolarHBondContact O-N 3.02Å; D38-R41 PolarHBondContact O-N 3.36Å; D38-R41 IonicContact OD1-NH1 3.7Å; L39-R41 PolarHBondContact O-N 3.46Å; R41-K45 WeakPolarHBondContact O-CB 3.32Å; R41-K45 PolarHBondContact O-N 2.94Å; R41-K45 VanDerWaalsContact O-N 3.11Å
42F84Confident81.5Confident85 Ų8588.7 Ų88.737%0.37343%0.425SS..Hα-helixtrans-63.8-46.5177.2-176.5-82.4000110.9D38 L39 D40 K45 W46 F48 P50D38-F42 WeakPolarHBondContact O-CB 3.32Å; D38-F42 PolarHBondContact O-N 3.47Å; L39-F42 PolarHBondContact O-N 3.15Å; D40-F42 VanDerWaalsContact C-N 3.34Å; D40-F42 PolarHBondContact O-N 2.9Å; F42-K45 PolarHBondContact O-N 3.14Å; F42-W46 HydrophobicContact CD1-CB 4.47Å; F42-W46 AromaticContact CD1-CD1 3.97Å; F42-W46 AromaticContact CD2-CD1 3.48Å; F42-W46 VanDerWaalsContact CD2-CD1 3.48Å; F42-W46 AromaticContact CD2-NE1 3.8Å; F42-W46 HydrophobicContact CE1-CB 4.11Å; F42-W46 AromaticContact CE1-CD1 3.86Å; F42-W46 HydrophobicContact CE1-CG 4.22Å; F42-W46 AromaticContact CE2-CD1 3.35Å; F42-W46 HydrophobicContact CE2-CG 4.23Å; F42-W46 AromaticContact CE2-NE1 3.53Å; F42-W46 AromaticContact CG-CD1 3.79Å; F42-W46 HydrophobicContact CZ-CB 4.36Å; F42-W46 AromaticContact CZ-CD1 3.55Å; F42-W46 HydrophobicContact CZ-CG 4.03Å; F42-W46 WeakPolarHBondContact O-CB 3.48Å; F42-W46 PolarHBondContact O-N 3.33Å; F42-F48 HydrophobicContact CE1-CB 4.47Å; F42-F48 HydrophobicContact CE1-CD1 4.38Å; F42-P50 HydrophobicContact CD1-CG 3.76Å; F42-P50 HydrophobicContact CE1-CG 4.39Å; F42-P50 HydrophobicContact CG-CG 4.48Å
43Q80.8Confident79.7Confident52 Ų5292.5 Ų92.524%0.24345%0.446CS..Hα-helixtrans-59.8-48.3-180179.8169.2-33.400111.4L39 D40 K45 W46 N47 L63L39-Q43 VanDerWaalsContact O-CB 3.29Å; L39-Q43 WeakPolarHBondContact O-CB 3.23Å; L39-Q43 PolarHBondContact O-N 3.21Å; D40-Q43 PolarHBondContact O-N 2.88Å; Q43-K45 VanDerWaalsContact C-N 3.3Å; Q43-K45 PolarHBondContact O-N 3.39Å; Q43-W46 PolarHBondContact O-N 3.42Å; Q43-N47 VanDerWaalsContact O-CA 3.25Å; Q43-N47 WeakPolarHBondContact O-CA 3.24Å; Q43-N47 PolarHBondContact O-N 3.17Å; Q43-L63 HydrophobicContact CG-CD1 3.38Å
44N80.4Confident77.5Confident119 Ų11993.2 Ų93.264%0.63645%0.45SS*.Hα-helixtrans-64.3-35.5178.9-68.1-16.7000112.3D40D40-N44 WeakPolarHBondContact O-CB 3.4Å; D40-N44 PolarHBondContact O-N 3.01Å; D40-N44 PolarHBondContact O-ND2 3.49Å
45K81.5Confident75.2Confident124 Ų12495.7 Ų95.754%0.53946%0.464SS..Hα-helixtrans-75.7-40.4-179.7-175.7172.9-179179.90112.9R41 F42 Q43R41-K45 WeakPolarHBondContact O-CB 3.32Å; R41-K45 PolarHBondContact O-N 2.94Å; R41-K45 VanDerWaalsContact O-N 3.11Å; F42-K45 PolarHBondContact O-N 3.14Å; Q43-K45 VanDerWaalsContact C-N 3.3Å; Q43-K45 PolarHBondContact O-N 3.39Å
46W79.3Confident73.2Confident80 Ų8097.6 Ų97.630%0.30347%0.47SS..Hα-helixtrans-105.7-5.7-170.4-66.5108.5000113.9F42 Q43 F48 F81 I208F42-W46 HydrophobicContact CD1-CB 4.47Å; F42-W46 AromaticContact CD1-CD1 3.97Å; F42-W46 AromaticContact CD2-CD1 3.48Å; F42-W46 VanDerWaalsContact CD2-CD1 3.48Å; F42-W46 AromaticContact CD2-NE1 3.8Å; F42-W46 HydrophobicContact CE1-CB 4.11Å; F42-W46 AromaticContact CE1-CD1 3.86Å; F42-W46 HydrophobicContact CE1-CG 4.22Å; F42-W46 AromaticContact CE2-CD1 3.35Å; F42-W46 HydrophobicContact CE2-CG 4.23Å; F42-W46 AromaticContact CE2-NE1 3.53Å; F42-W46 AromaticContact CG-CD1 3.79Å; F42-W46 HydrophobicContact CZ-CB 4.36Å; F42-W46 AromaticContact CZ-CD1 3.55Å; F42-W46 HydrophobicContact CZ-CG 4.03Å; F42-W46 WeakPolarHBondContact O-CB 3.48Å; F42-W46 PolarHBondContact O-N 3.33Å; Q43-W46 PolarHBondContact O-N 3.42Å; W46-F48 HydrophobicContact CB-CB 4.18Å; W46-F48 PolarHBondContact O-N 3.11Å; W46-F48 VanDerWaalsContact O-N 3.14Å; W46-F81 HydrophobicContact CE3-CD2 4.11Å; W46-F81 HydrophobicContact CE3-CE2 4.21Å; W46-F81 HydrophobicContact CZ3-CD2 4.26Å; W46-F81 HydrophobicContact CZ3-CE2 4.06Å; W46-F81 HydrophobicContact CZ3-CZ 4.47Å; W46-I208 HydrophobicContact CE3-CD1 3.67Å; W46-I208 HydrophobicContact CH2-CD1 4.13Å; W46-I208 HydrophobicContact CZ3-CD1 3.25Å; W46-I208 HydrophobicContact CZ3-CG1 4.31Å
47N74.7Confident71.3Confident21 Ų2198.2 Ų98.211%0.11249%0.485CS..SBendtrans51.532.9-172.9-65.1-60.2000113.4Q43 L63 N79Q43-N47 VanDerWaalsContact O-CA 3.25Å; Q43-N47 WeakPolarHBondContact O-CA 3.24Å; Q43-N47 PolarHBondContact O-N 3.17Å; N47-L63 PolarHBondContact O-N 3.26Å; N47-N79 WeakPolarHBondContact ND2-CA 3.27Å; N47-N79 VanDerWaalsContact ND2-CB 3.31Å; N47-N79 WeakPolarHBondContact ND2-CB 3.32Å; N47-N79 PolarHBondContact ND2-OD1 2.9Å; N47-N79 PolarHBondContact OD1-ND2 2.99Å; N47-N79 PolarHBondContact OD1-OD1 2.77Å
48F71.9Confident69.5Low24 Ų2498.3 Ų98.311%0.10549%0.485CS..BIsolated β-bridgetrans-131.1121-174.5-165.4-106.3000109.7F42 W46 P50 R60 L83 I206F42-F48 HydrophobicContact CE1-CB 4.47Å; F42-F48 HydrophobicContact CE1-CD1 4.38Å; W46-F48 HydrophobicContact CB-CB 4.18Å; W46-F48 PolarHBondContact O-N 3.11Å; W46-F48 VanDerWaalsContact O-N 3.14Å; F48-P50 VanDerWaalsContact O-CD 3.25Å; F48-P50 WeakPolarHBondContact O-CD 3.38Å; F48-R60 HydrophobicContact CE1-CB 4.42Å; F48-R60 HydrophobicContact CE2-CB 3.65Å; F48-R60 HydrophobicContact CZ-CB 3.35Å; F48-R60 HydrophobicContact CZ-CG 3.94Å; F48-L83 HydrophobicContact CB-CD1 3.88Å; F48-L83 HydrophobicContact CD2-CD1 3.58Å; F48-L83 HydrophobicContact CE2-CD1 4.48Å; F48-L83 HydrophobicContact CG-CD1 4.12Å; F48-I206 HydrophobicContact CD2-CD1 4.1Å; F48-I206 HydrophobicContact CE2-CD1 3.24Å; F48-I206 HydrophobicContact CZ-CD1 3.7Å
49Q69.4Low67.8Low97 Ų97100.1 Ų100.145%0.45349%0.494SS..PPolyproline II helixtrans-73.7118.7177.5-164.4174.63.200108.7L63Q49-L63 HydrophobicContact CB-CD1 3.96Å; Q49-L63 HydrophobicContact CB-CG 4.22Å
50P66.6Low66.4Low22 Ų22102.2 Ų102.214%0.14350%0.496CS..PPolyproline II helixtrans-58150.6171.7-21.734.4000110L39 F42 F48 N52L39-P50 HydrophobicContact CB-CG 4.45Å; L39-P50 HydrophobicContact CD2-CB 3.58Å; L39-P50 HydrophobicContact CD2-CG 3.62Å; F42-P50 HydrophobicContact CD1-CG 3.76Å; F42-P50 HydrophobicContact CE1-CG 4.39Å; F42-P50 HydrophobicContact CG-CG 4.48Å; F48-P50 VanDerWaalsContact O-CD 3.25Å; F48-P50 WeakPolarHBondContact O-CD 3.38Å; P50-N52 PolarHBondContact O-N 3.11Å; P50-N52 VanDerWaalsContact O-N 3.11Å
51P63.1Low65.3Low88 Ų88105.8 Ų105.857%0.57151%0.508SS*.PPolyproline II helixtrans-58.6121.8-17923.4-31.8000110.3I53P51-I53 PolarHBondContact O-N 2.89Å
52N59.3Low64.2Low98 Ų9899.1 Ų99.152%0.52449%0.486SS..PPolyproline II helixtrans-59.7133.5158.4-89.3-28.2000107.1P50 V54P50-N52 PolarHBondContact O-N 3.11Å; P50-N52 VanDerWaalsContact O-N 3.11Å; N52-V54 PolarHBondContact O-N 3.21Å
53I54.6Low63.1Low163 Ų16399.1 Ų99.184%0.83649%0.489SS*.SBendtrans-57.1-17-176.7-56.6165.3000111P51 L55P51-I53 PolarHBondContact O-N 2.89Å; I53-L55 PolarHBondContact O-N 3.37Å
54V48Very low62Low67 Ų6798.5 Ų98.541%0.40649%0.491SS..SBendtrans-85.585.3175.2-171.10000111.4N52 Q56 Y138N52-V54 PolarHBondContact O-N 3.21Å; V54-Q56 PolarHBondContact O-N 3.24Å; V54-Y138 WeakPolarHBondContact CB-OH 3.48Å; V54-Y138 WeakPolarHBondContact CG1-OH 3.41Å; V54-Y138 WeakPolarHBondContact CG2-OH 3.35Å
55L46.7Very low60.7Low152 Ų15297.8 Ų97.880%0.79649%0.491SS*.  trans34.274.2134.5-153.8100.6000117.4I53I53-L55 PolarHBondContact O-N 3.37Å
56Q48.7Very low59.2Low140 Ų14095.3 Ų95.365%0.65448%0.481SS*.  trans-134.9118.7151.4-71.9-154.214.400112V54 K58V54-Q56 PolarHBondContact O-N 3.24Å; Q56-K58 HydrophobicContact CB-CG 4.49Å; Q56-K58 PolarHBondContact O-N 3.13Å; Q56-K58 VanDerWaalsContact OE1-CD 3.32Å
57N49.2Very low57.4Low162 Ų16298.5 Ų98.587%0.86650%0.499SS*.  trans-68.233.8175.1-68.8-22.4000113.4
58K54.1Low56Low149 Ų149103.1 Ų103.165%0.64852%0.523SS*.SBendtrans-98.6137.1-178.1-67.7-179.2-179.7163.50109.3Q56 R60Q56-K58 HydrophobicContact CB-CG 4.49Å; Q56-K58 PolarHBondContact O-N 3.13Å; Q56-K58 VanDerWaalsContact OE1-CD 3.32Å; K58-R60 PolarHBondContact O-N 3.22Å; K58-R60 VanDerWaalsContact O-N 3.15Å
59I54.7Low54.6Low127 Ų127108.4 Ų108.465%0.65155%0.548SS*.PPolyproline II helixtrans-48.4123.4172.4-64167.9000107.7K61I59-K61 PolarHBondContact O-N 2.96Å
60R58.4Low53.3Low119 Ų119110.2 Ų110.245%0.44957%0.571SS.*PPolyproline II helixtrans-65.6126.6-176.5-59.8179.1-178.2170.8-3.5108.6F48 K58F48-R60 HydrophobicContact CE1-CB 4.42Å; F48-R60 HydrophobicContact CE2-CB 3.65Å; F48-R60 HydrophobicContact CZ-CB 3.35Å; F48-R60 HydrophobicContact CZ-CG 3.94Å; K58-R60 PolarHBondContact O-N 3.22Å; K58-R60 VanDerWaalsContact O-N 3.15Å
61K60.3Low52Low164 Ų164112.9 Ų112.971%0.71360%0.603SS**PPolyproline II helixtrans-103.3142.7178.4-65.6-175.1178.8-176.70109.6I59I59-K61 PolarHBondContact O-N 2.96Å
62P62Low50.8Low28 Ų28116 Ų11618%0.18262%0.615CS.*BIsolated β-bridgetrans-57.2149164.924.6-31.8000110.2S64 V65 L83P62-S64 VanDerWaalsContact C-N 3.26Å; P62-S64 PolarHBondContact O-N 3.5Å; P62-V65 HydrophobicContact CG-CG2 4.39Å; P62-L83 HydrophobicContact CB-CB 4.05Å; P62-L83 HydrophobicContact CB-CD1 4.18Å; P62-L83 HydrophobicContact CG-CB 4.29Å
63L61.3Low50.2Low85 Ų85116.9 Ų116.945%0.44562%0.619SS.*SBendtrans-63.6-34178.2-82.6133.4000112.1Q43 N47 Q49Q43-L63 HydrophobicContact CG-CD1 3.38Å; N47-L63 PolarHBondContact O-N 3.26Å; Q49-L63 HydrophobicContact CB-CD1 3.96Å; Q49-L63 HydrophobicContact CB-CG 4.22Å
64S57.9Low49.6Very low40 Ų40116.8 Ų116.828%0.2862%0.615SS.*SBendtrans-114.4107.9171.860.70000109.5P62 H66 N79P62-S64 VanDerWaalsContact C-N 3.26Å; P62-S64 PolarHBondContact O-N 3.5Å; S64-H66 PolarHBondContact O-N 2.96Å; S64-N79 PolarHBondContact OG-ND2 2.85Å
65V52.6Low49.5Very low103 Ų103118.5 Ų118.562%0.62463%0.626SS**  trans-76.1100162.8-178.10000105.9P62 Q67P62-V65 HydrophobicContact CG-CG2 4.39Å; V65-Q67 VanDerWaalsContact C-N 3.27Å; V65-Q67 PolarHBondContact O-N 2.86Å
66H50.5Low49.5Very low72 Ų72116.9 Ų116.933%0.33362%0.618SS.*  trans-64.7100.2162.1-70.6-73.2000106.1S64 L68S64-H66 PolarHBondContact O-N 2.96Å; H66-L68 VanDerWaalsContact C-N 3.3Å; H66-L68 PolarHBondContact O-N 3.36Å
67Q42.4Very low49.6Very low147 Ų147115.8 Ų115.869%0.68763%0.626SS**  trans-60.7100.8165.7-106.5-179.9-2.800106.3V65 H69V65-Q67 VanDerWaalsContact C-N 3.27Å; V65-Q67 PolarHBondContact O-N 2.86Å; Q67-H69 WeakPolarHBondContact CB-ND1 3.44Å; Q67-H69 WeakPolarHBondContact CG-ND1 3.37Å; Q67-H69 PolarHBondContact O-N 3.21Å
68L44.8Very low49.9Very low118 Ų118113.2 Ų113.262%0.61862%0.616SS**  trans-67.770.4162.5-82.8162.7000107.6H66 L73H66-L68 VanDerWaalsContact C-N 3.3Å; H66-L68 PolarHBondContact O-N 3.36Å; L68-L73 HydrophobicContact CD2-CD1 4.17Å
69H42.4Very low50Low135 Ų135108.2 Ų108.263%0.62560%0.596SS**  trans-85.4125.3160.2-76.861000106.4Q67 G71Q67-H69 WeakPolarHBondContact CB-ND1 3.44Å; Q67-H69 WeakPolarHBondContact CG-ND1 3.37Å; Q67-H69 PolarHBondContact O-N 3.21Å; H69-G71 PolarHBondContact O-N 2.95Å
70S41.3Very low50.6Low135 Ų135109.4 Ų109.494%0.94460%0.599SS**THydrogen-bonded Turntrans-29.5117.9170.6-113.20000112.3
71G39.5Very low50.9Low78 Ų78105.8 Ų105.880%0.80459%0.587SS**THydrogen-bonded Turntrans110.4-4149.300000120.1H69H69-G71 PolarHBondContact O-N 2.95Å
72N38.3Very low51.3Low155 Ų155101.3 Ų101.383%0.82957%0.57SS**  trans-16092168.9-134.4-17.1000113.5Q74N72-Q74 PolarHBondContact O-N 3.36Å; N72-Q74 VanDerWaalsContact O-N 3.15Å
73L46Very low51.6Low116 Ų116100.9 Ų100.961%0.60757%0.566SS**  trans-77.893170.8-97.6126.8000109L68 T75L68-L73 HydrophobicContact CD2-CD1 4.17Å; L73-T75 VanDerWaalsContact C-N 3.3Å; L73-T75 HydrophobicContact CB-CG2 4.34Å; L73-T75 HydrophobicContact CD2-CG2 4.21Å; L73-T75 PolarHBondContact O-N 2.93Å
74Q42.9Very low52.1Low160 Ų160101.3 Ų101.375%0.74857%0.566SS**  trans-67.499.1151.4-90.8-165.520.100107.4N72 N76N72-Q74 PolarHBondContact O-N 3.36Å; N72-Q74 VanDerWaalsContact O-N 3.15Å; Q74-N76 VanDerWaalsContact C-N 3.32Å; Q74-N76 PolarHBondContact O-N 3.25Å
75T46.7Very low52.9Low104 Ų104103 Ų10364%0.63858%0.576SS**  trans-74.385.5172.8440000108.5L73 S77L73-T75 VanDerWaalsContact C-N 3.3Å; L73-T75 HydrophobicContact CB-CG2 4.34Å; L73-T75 HydrophobicContact CD2-CG2 4.21Å; L73-T75 PolarHBondContact O-N 2.93Å; T75-S77 PolarHBondContact O-N 3.27Å
76N46.3Very low54.1Low118 Ų118100 Ų10063%0.63156%0.557SS**  trans-62.7111.5160.5-72.1-19.1000106.9Q74 T78Q74-N76 VanDerWaalsContact C-N 3.32Å; Q74-N76 PolarHBondContact O-N 3.25Å; N76-T78 VanDerWaalsContact C-N 3.25Å; N76-T78 PolarHBondContact O-N 3.21Å
77S50Low55.4Low117 Ų117104.1 Ų104.182%0.81858%0.577SS**THydrogen-bonded Turntrans-78.630.3-146.6600000116.2T75T75-S77 PolarHBondContact O-N 3.27Å
78T55.8Low57.2Low108 Ų108102.1 Ų102.166%0.66358%0.579SS**THydrogen-bonded Turntrans-119.3-9.5-174.546.70000114.8N76N76-T78 VanDerWaalsContact C-N 3.25Å; N76-T78 PolarHBondContact O-N 3.21Å
79N56.4Low59.1Low43 Ų4397.4 Ų97.423%0.2356%0.555CS.*  trans-110.889-168.7-61.2-2.3000110.6N47 S64 F81N47-N79 WeakPolarHBondContact ND2-CA 3.27Å; N47-N79 VanDerWaalsContact ND2-CB 3.31Å; N47-N79 WeakPolarHBondContact ND2-CB 3.32Å; N47-N79 PolarHBondContact ND2-OD1 2.9Å; N47-N79 PolarHBondContact OD1-ND2 2.99Å; N47-N79 PolarHBondContact OD1-OD1 2.77Å; S64-N79 PolarHBondContact OG-ND2 2.85Å; N79-F81 PolarHBondContact O-N 2.75Å
80E66.6Low61.2Low153 Ų15394.5 Ų94.572%0.71555%0.549SS*.  trans-67.6-10.7-178.7-66.2-176.3164.100114.1
81F64.6Low63.3Low43 Ų4392.4 Ų92.419%0.18953%0.534CS..  trans-132.6131.5-166.9-55.6-56.2000112.7W46 N79 I208W46-F81 HydrophobicContact CE3-CD2 4.11Å; W46-F81 HydrophobicContact CE3-CE2 4.21Å; W46-F81 HydrophobicContact CZ3-CD2 4.26Å; W46-F81 HydrophobicContact CZ3-CE2 4.06Å; W46-F81 HydrophobicContact CZ3-CZ 4.47Å; N79-F81 PolarHBondContact O-N 2.75Å; F81-I208 HydrophobicContact CB-CG1 4.42Å; F81-I208 HydrophobicContact CB-CG2 3.76Å; F81-I208 HydrophobicContact CD1-CB 4.43Å; F81-I208 HydrophobicContact CD1-CG2 3Å; F81-I208 HydrophobicContact CD2-CG2 4.5Å; F81-I208 HydrophobicContact CE1-CG2 3.64Å; F81-I208 HydrophobicContact CG-CG2 3.49Å; F81-I208 VanDerWaalsContact CG-CG2 3.49Å
82I68.6Low65.7Low70 Ų7096.3 Ų96.336%0.35953%0.529SS..EExtended strand (participates in β ladder)trans-94.6125.7168.2-59.5171.2000107.7E84I82-E84 HydrophobicContact CG2-CG 4.18Å
83L68.3Low68.1Low19 Ų1995.6 Ų95.610%0.09952%0.516CS..EExtended strand (participates in β ladder)trans-106.6109.7-177.9-68.2-169.3000109.8F48 P62 I206 I208F48-L83 HydrophobicContact CB-CD1 3.88Å; F48-L83 HydrophobicContact CD2-CD1 3.58Å; F48-L83 HydrophobicContact CE2-CD1 4.48Å; F48-L83 HydrophobicContact CG-CD1 4.12Å; P62-L83 HydrophobicContact CB-CB 4.05Å; P62-L83 HydrophobicContact CB-CD1 4.18Å; P62-L83 HydrophobicContact CG-CB 4.29Å; L83-I206 HydrophobicContact CB-CG2 3.45Å; L83-I206 VanDerWaalsContact CB-CG2 3.45Å; L83-I206 HydrophobicContact CD1-CG2 4.34Å; L83-I206 HydrophobicContact CD2-CG2 3.5Å; L83-I206 HydrophobicContact CG-CG2 3.9Å; L83-I208 HydrophobicContact CD2-CD1 4.44Å; L83-I208 HydrophobicContact CD2-CG1 3.5Å; L83-I208 VanDerWaalsContact CD2-CG1 3.5Å
84E73.4Confident70Confident94 Ų9493.8 Ų93.844%0.43951%0.506SS..EExtended strand (participates in β ladder)trans-116.2139.6177.1-70.2-179.4170.800111.9I82 V86I82-E84 HydrophobicContact CG2-CG 4.18Å; E84-V86 PolarHBondContact O-N 2.85Å
85P73.6Confident72.2Confident76 Ų7694.1 Ų94.149%0.49451%0.505SS..EExtended strand (participates in β ladder)trans-70.7119.9172.528.6-31.7000110.1
86V77.9Confident74.2Confident39 Ų3993.7 Ų93.724%0.23651%0.506CS..  trans-91.5125.5176.3-179.50000109.6E84 P205 I207E84-V86 PolarHBondContact O-N 2.85Å; V86-P205 PolarHBondContact N-O 3.44Å; V86-I207 HydrophobicContact CG2-CB 4.15Å; V86-I207 HydrophobicContact CG2-CD1 3.85Å; V86-I207 HydrophobicContact CG2-CG1 3.81Å
87Q77Confident76.3Confident158 Ų15894 Ų9474%0.73852%0.515SS*.SBendtrans-70-35.4-177.5-66-66.2-7.800113.2
88S81.2Confident78Confident105 Ų10599 Ų9973%0.73452%0.516SS*.SBendtrans-130.269.1-174.651.10000111.7
89P84.4Confident79.3Confident19 Ų19103.2 Ų103.212%0.12353%0.525CS..  trans-70.6154.8-179.835.4-42.7000112.4S91 I94 P205P89-S91 PolarHBondContact O-N 3.44Å; P89-I94 HydrophobicContact CB-CG2 4.35Å; P89-I94 HydrophobicContact CG-CD1 4.34Å; P89-I94 HydrophobicContact CG-CG2 3.47Å; P89-I94 VanDerWaalsContact CG-CG2 3.47Å; P89-P205 VanDerWaalsContact CB-CD 3.43Å; P89-P205 HydrophobicContact CB-CG 3.07Å; P89-P205 HydrophobicContact CG-CG 3.55Å
90P85.6Confident80.2Confident75 Ų75108.1 Ų108.149%0.48755%0.55SS.*  trans-53135.9166.4-25.133.4000110.9F92 Y93P90-F92 PolarHBondContact O-N 3.11Å; P90-Y93 HydrophobicContact CB-CD2 3.9Å; P90-Y93 HydrophobicContact CB-CE2 4.15Å; P90-Y93 HydrophobicContact CG-CD2 4.01Å; P90-Y93 HydrophobicContact CG-CE2 3.97Å; P90-Y93 PolarHBondContact O-N 3.32Å
91S86.2Confident80.5Confident90 Ų90109.7 Ų109.763%0.62956%0.555SS**Hα-helixtrans-52.6-30.9-174.1630000113.3P89 Y93 I94 K95P89-S91 PolarHBondContact O-N 3.44Å; S91-Y93 VanDerWaalsContact C-N 3.27Å; S91-Y93 PolarHBondContact O-N 3.06Å; S91-I94 VanDerWaalsContact O-CG1 3.32Å; S91-I94 WeakPolarHBondContact O-CG1 3.37Å; S91-I94 PolarHBondContact O-N 3.13Å; S91-K95 VanDerWaalsContact O-CB 3.24Å; S91-K95 WeakPolarHBondContact O-CB 3.3Å; S91-K95 PolarHBondContact O-N 3.27Å
92F90.2Very high80.2Confident161 Ų161110.1 Ų110.171%0.70657%0.566SS**Hα-helixtrans-51.2-41.2175.3178-102000113.7P90 I94P90-F92 PolarHBondContact O-N 3.11Å; F92-I94 PolarHBondContact O-N 3.12Å
93Y87.5Confident79.5Confident140 Ų140116.7 Ų116.755%0.54959%0.592SS.*Hα-helixtrans-77.6-19.8-175.9-66.9-73.4000114.2P90 S91 P205P90-Y93 HydrophobicContact CB-CD2 3.9Å; P90-Y93 HydrophobicContact CB-CE2 4.15Å; P90-Y93 HydrophobicContact CG-CD2 4.01Å; P90-Y93 HydrophobicContact CG-CE2 3.97Å; P90-Y93 PolarHBondContact O-N 3.32Å; S91-Y93 VanDerWaalsContact C-N 3.27Å; S91-Y93 PolarHBondContact O-N 3.06Å; Y93-P205 HydrophobicContact CG-CB 4.45Å; Y93-P205 HydrophobicContact CG-CG 4.44Å
94I85.9Confident78.8Confident77 Ų77127 Ų12740%0.39563%0.63SS.*Hα-helixtrans-108.4-7.6-179.359.2170.4000113P89 S91 F92 S96 V203 P205P89-I94 HydrophobicContact CB-CG2 4.35Å; P89-I94 HydrophobicContact CG-CD1 4.34Å; P89-I94 HydrophobicContact CG-CG2 3.47Å; P89-I94 VanDerWaalsContact CG-CG2 3.47Å; S91-I94 VanDerWaalsContact O-CG1 3.32Å; S91-I94 WeakPolarHBondContact O-CG1 3.37Å; S91-I94 PolarHBondContact O-N 3.13Å; F92-I94 PolarHBondContact O-N 3.12Å; I94-S96 PolarHBondContact O-N 2.69Å; I94-V203 WeakPolarHBondContact CG2-O 3.46Å; I94-P205 HydrophobicContact CG2-CG 3.99Å
95K90.6Very high78Confident168 Ų168133.3 Ų133.373%0.7365%0.65SS**PPolyproline II helixtrans-69.5120.3-175.4-174.2171.9-175.5174.80110.2S91S91-K95 VanDerWaalsContact O-CB 3.24Å; S91-K95 WeakPolarHBondContact O-CB 3.3Å; S91-K95 PolarHBondContact O-N 3.27Å
96S88.5Confident77.2Confident95 Ų95136.3 Ų136.366%0.66466%0.661SS**PPolyproline II helixtrans-65.1151.617557.20000111.9I94 R98I94-S96 PolarHBondContact O-N 2.69Å; S96-R98 PolarHBondContact O-N 3.27Å
97P89.1Confident76.5Confident125 Ų125139.9 Ų139.981%0.81269%0.685SS**PPolyproline II helixtrans-54.8139.5176.1-25.934.5000112K99P97-K99 PolarHBondContact O-N 2.93Å
98R87.5Confident75.9Confident221 Ų221138.1 Ų138.183%0.83468%0.678SS**PPolyproline II helixtrans-64.5130.8178.7-172.6-178.9-172.8-177.35.2110.1S96 L100S96-R98 PolarHBondContact O-N 3.27Å; R98-L100 PolarHBondContact O-N 2.89Å; R98-L100 VanDerWaalsContact O-N 3.13Å
99K82.6Confident75.3Confident197 Ų197136 Ų13686%0.85766%0.663SS**PPolyproline II helixtrans-57.7118170.6-63.8-173.2179.9-176.40109.7P97 K101P97-K99 PolarHBondContact O-N 2.93Å; K99-K101 PolarHBondContact O-N 2.87Å
100L74.8Confident74.5Confident146 Ų146140.5 Ų140.576%0.76469%0.69SS**PPolyproline II helixtrans-68.3128.9173.7-62.5178000108.7R98 A102R98-L100 PolarHBondContact O-N 2.89Å; R98-L100 VanDerWaalsContact O-N 3.13Å; L100-A102 HydrophobicContact CB-CB 4.18Å; L100-A102 PolarHBondContact O-N 3.33Å
101K72.3Confident73.6Confident186 Ų186140.4 Ų140.481%0.80970%0.695SS**G310 helixtrans-7217.7172.8-70.6-174.7175.7-178.50113.1K99 F103 R104K99-K101 PolarHBondContact O-N 2.87Å; K101-F103 PolarHBondContact O-N 3.25Å; K101-F103 VanDerWaalsContact O-N 3.15Å; K101-R104 PolarHBondContact O-N 3.49Å
102A58.5Low72.8Confident51 Ų51141 Ų14142%0.42169%0.688SS.*G310 helixtrans-66.8-18.6-167.800000113.9L100 R104L100-A102 HydrophobicContact CB-CB 4.18Å; L100-A102 PolarHBondContact O-N 3.33Å; A102-R104 PolarHBondContact O-N 2.93Å
103F54.3Low72Confident208 Ų208138.7 Ų138.791%0.91268%0.678SS**G310 helixtrans-64.9-17.7178.2-81.6-78.9000114.8K101K101-F103 PolarHBondContact O-N 3.25Å; K101-F103 VanDerWaalsContact O-N 3.15Å
104R54.3Low71.1Confident236 Ų236135.1 Ų135.189%0.89167%0.671SS**G310 helixtrans-99.42-174.2-63.6-169-175.3-179.51.1115.1K101 A102K101-R104 PolarHBondContact O-N 3.49Å; A102-R104 PolarHBondContact O-N 2.93Å
105R56.2Low70.3Confident227 Ų227140.5 Ų140.586%0.85769%0.686SS**THydrogen-bonded Turntrans-133.72.9-170.4-73.6-168.1151.5-172.7-7.2116.2
106L55.9Low69.1Low138 Ų138137.1 Ų137.172%0.72367%0.674SS**PPolyproline II helixtrans-101.2119.6174.6-63.3175.7000108.8
107P64.2Low67.9Low114 Ų114137.4 Ų137.474%0.7467%0.665SS**PPolyproline II helixtrans-53.9149.2161.924.2-31.4000108.4S109P107-S109 PolarHBondContact O-N 3.08Å
108M64.7Low66.6Low122 Ų122136.8 Ų136.860%0.60165%0.654SS**PPolyproline II helixtrans-47116179.1-73.5-158.4-62.900108.9
109S67.7Low65.1Low59 Ų59130.3 Ų130.341%0.41364%0.642SS.*PPolyproline II helixtrans-61.6154.2178.273.20000108.7P107 A111 Q112 K113P107-S109 PolarHBondContact O-N 3.08Å; S109-A111 PolarHBondContact O-N 3.45Å; S109-Q112 CarbonylContact O-C 3.59Å; S109-Q112 WeakPolarHBondContact O-CA 3.15Å; S109-Q112 WeakPolarHBondContact O-CB 3.2Å; S109-Q112 PolarHBondContact O-N 2.85Å; S109-Q112 WeakPolarHBondContact OG-CB 3.17Å; S109-Q112 PolarHBondContact OG-N 3.42Å; S109-K113 PolarHBondContact O-N 3.02Å
110V67.3Low63.8Low115 Ų115128.7 Ų128.770%0.69764%0.635SS**Hα-helixtrans-53.9-41.2174.6178.40000110Q112 K113 T114V110-Q112 PolarHBondContact O-N 2.73Å; V110-K113 PolarHBondContact O-N 3.47Å; V110-T114 WeakPolarHBondContact O-CB 3.48Å; V110-T114 PolarHBondContact O-N 2.82Å; V110-T114 PolarHBondContact O-OG1 3.04Å
111A67.6Low62.7Low72 Ų72130.2 Ų130.260%0.59564%0.635SS**Hα-helixtrans-60.5-40.7174.900000113.1S109 R115S109-A111 PolarHBondContact O-N 3.45Å; A111-R115 VanDerWaalsContact O-CB 3.29Å; A111-R115 WeakPolarHBondContact O-CB 3.42Å; A111-R115 PolarHBondContact O-N 3.14Å
112Q68.4Low61.3Low102 Ų102124.6 Ų124.648%0.47762%0.619SS.*Hα-helixtrans-69.8-38.9176.7-170.7174.9-6.500111.6S109 V110 R115 M116S109-Q112 CarbonylContact O-C 3.59Å; S109-Q112 WeakPolarHBondContact O-CA 3.15Å; S109-Q112 WeakPolarHBondContact O-CB 3.2Å; S109-Q112 PolarHBondContact O-N 2.85Å; S109-Q112 WeakPolarHBondContact OG-CB 3.17Å; S109-Q112 PolarHBondContact OG-N 3.42Å; V110-Q112 PolarHBondContact O-N 2.73Å; Q112-R115 PolarHBondContact O-N 3.47Å; Q112-M116 WeakPolarHBondContact O-CB 3.18Å; Q112-M116 VanDerWaalsContact O-CG 3.27Å; Q112-M116 WeakPolarHBondContact O-CG 3.48Å; Q112-M116 PolarHBondContact O-N 2.82Å
113K73.9Confident60.7Low113 Ų113127.3 Ų127.349%0.49163%0.631SS.*Hα-helixtrans-62.9-46.2173.9-173179.1175.3-172.80111.1S109 V110 R115 M116 E117S109-K113 PolarHBondContact O-N 3.02Å; V110-K113 PolarHBondContact O-N 3.47Å; K113-R115 PolarHBondContact O-N 3.05Å; K113-M116 PolarHBondContact O-N 2.79Å; K113-E117 VanDerWaalsContact CE-OE1 3.26Å; K113-E117 WeakPolarHBondContact CE-OE1 3.39Å; K113-E117 WeakPolarHBondContact O-CG 3.29Å; K113-E117 PolarHBondContact O-N 2.92Å
114T69.6Low60.2Low66 Ų66124.5 Ų124.541%0.40563%0.625SS.*Hα-helixtrans-62.5-41.7175.3-55.40000111.8V110 E117 L118V110-T114 WeakPolarHBondContact O-CB 3.48Å; V110-T114 PolarHBondContact O-N 2.82Å; V110-T114 PolarHBondContact O-OG1 3.04Å; T114-E117 PolarHBondContact O-N 3.08Å; T114-L118 HydrophobicContact CG2-CD1 4.12Å; T114-L118 WeakPolarHBondContact O-CB 3.34Å; T114-L118 WeakPolarHBondContact O-CG 3.48Å; T114-L118 PolarHBondContact O-N 2.96Å
115R67.7Low59.9Low189 Ų189118.6 Ų118.671%0.71362%0.62SS**Hα-helixtrans-64.7-40.8177.1-164.2173.6174.7153.8-0111.7A111 Q112 K113 L118 C119A111-R115 VanDerWaalsContact O-CB 3.29Å; A111-R115 WeakPolarHBondContact O-CB 3.42Å; A111-R115 PolarHBondContact O-N 3.14Å; Q112-R115 PolarHBondContact O-N 3.47Å; K113-R115 PolarHBondContact O-N 3.05Å; R115-L118 PolarHBondContact O-N 3.37Å; R115-C119 PolarHBondContact O-N 3.33Å; R115-C119 PolarHBondContact O-SG 3.38Å
116M66.3Low59.4Low97 Ų97116.3 Ų116.348%0.47862%0.619SS.*Hα-helixtrans-64.4-37.7173.1-75.3-64.2-54.800112.6Q112 K113 K120Q112-M116 WeakPolarHBondContact O-CB 3.18Å; Q112-M116 VanDerWaalsContact O-CG 3.27Å; Q112-M116 WeakPolarHBondContact O-CG 3.48Å; Q112-M116 PolarHBondContact O-N 2.82Å; K113-M116 PolarHBondContact O-N 2.79Å; M116-K120 WeakPolarHBondContact O-CG 3.5Å; M116-K120 PolarHBondContact O-N 3.46Å
117E63.2Low59Low102 Ų102116.2 Ų116.248%0.47762%0.619SS.*Hα-helixtrans-69.7-36.6175.9-76.7173.3-171.900112.3K113 T114 K120 K121K113-E117 VanDerWaalsContact CE-OE1 3.26Å; K113-E117 WeakPolarHBondContact CE-OE1 3.39Å; K113-E117 WeakPolarHBondContact O-CG 3.29Å; K113-E117 PolarHBondContact O-N 2.92Å; T114-E117 PolarHBondContact O-N 3.08Å; E117-K120 PolarHBondContact O-N 3.13Å; E117-K121 PolarHBondContact O-N 3.39Å
118L61.9Low58.1Low111 Ų111119.8 Ų119.858%0.58162%0.623SS**Hα-helixtrans-68.9-42.6174.2-75.1167.7000112.1T114 R115 K120 K121 S122T114-L118 HydrophobicContact CG2-CD1 4.12Å; T114-L118 WeakPolarHBondContact O-CB 3.34Å; T114-L118 WeakPolarHBondContact O-CG 3.48Å; T114-L118 PolarHBondContact O-N 2.96Å; R115-L118 PolarHBondContact O-N 3.37Å; L118-K120 PolarHBondContact O-N 3.13Å; L118-K121 PolarHBondContact O-N 3.46Å; L118-S122 PolarHBondContact O-N 2.82Å
119C55.7Low57Low85 Ų85121.1 Ų121.157%0.57463%0.632SS**Hα-helixtrans-63.7-29.6175.3-70.20000112.5R115 K121R115-C119 PolarHBondContact O-N 3.33Å; R115-C119 PolarHBondContact O-SG 3.38Å; C119-K121 VanDerWaalsContact C-N 3.31Å; C119-K121 PolarHBondContact O-N 2.76Å
120K54.6Low55.6Low164 Ų164125.5 Ų125.571%0.71365%0.65SS**Hα-helixtrans-72.5-19.8173.4-76.2-179.6179.9-1720114.1M116 E117 L118M116-K120 WeakPolarHBondContact O-CG 3.5Å; M116-K120 PolarHBondContact O-N 3.46Å; E117-K120 PolarHBondContact O-N 3.13Å; L118-K120 PolarHBondContact O-N 3.13Å
121K52.4Low54.1Low178 Ų178126.5 Ų126.577%0.77466%0.657SS**Hα-helixtrans-93.7-14.5177.3-76-178.1171.9-175.10113.4E117 L118 C119 T123E117-K121 PolarHBondContact O-N 3.39Å; L118-K121 PolarHBondContact O-N 3.46Å; C119-K121 VanDerWaalsContact C-N 3.31Å; C119-K121 PolarHBondContact O-N 2.76Å; K121-T123 VanDerWaalsContact C-N 3.26Å; K121-T123 PolarHBondContact O-N 2.85Å; K121-T123 VanDerWaalsContact O-N 3.08Å
122S43.6Very low52.7Low68 Ų68131.5 Ų131.548%0.47666%0.662SS.*  trans-86.558.4178.5-179.70000112L118L118-S122 PolarHBondContact O-N 2.82Å
123T45.1Very low51.2Low107 Ų107130.5 Ų130.566%0.65667%0.666SS**  trans-89102.715838.30000108.1K121K121-T123 VanDerWaalsContact C-N 3.26Å; K121-T123 PolarHBondContact O-N 2.85Å; K121-T123 VanDerWaalsContact O-N 3.08Å
124N44.3Very low49.3Very low149 Ų149131.5 Ų131.580%0.79767%0.67SS**SBendtrans60.679.2152.5-49.5-45.8000117.2
125S48.3Very low47.7Very low113 Ų113134.8 Ų134.879%0.7969%0.685SS**SBendtrans-176-27.1147.130.10000117.3
126E44.9Very low46.3Very low179 Ų179128.4 Ų128.484%0.83667%0.67SS**SBendtrans-115.23.5-161-79-177.7154.600118K128E126-K128 PolarHBondContact O-N 2.76Å
127L47.4Very low44.8Very low135 Ų135129.1 Ų129.171%0.70768%0.684SS**THydrogen-bonded Turntrans-95.422.7-177.1-80.8170.8000115.2
128K45.2Very low43.7Very low190 Ų190129.9 Ų129.983%0.82668%0.684SS**THydrogen-bonded Turntrans-85.6-11.5177.5-85.8-175.5174.3-174.90115.1E126E126-K128 PolarHBondContact O-N 2.76Å
129D41.5Very low42.4Very low150 Ų150132.2 Ų132.280%0.80270%0.697SS**SBendtrans-110.718.8-169.3-65.8-23.9000115.8
130L39.5Very low41.5Very low151 Ų151135.2 Ų135.279%0.79171%0.706SS**  trans-12158.6176.3-80.8152000111.6Y132L130-Y132 VanDerWaalsContact C-N 3.27Å; L130-Y132 PolarHBondContact O-N 2.83Å
131T34.6Very low40.5Very low136 Ų136132 Ų13283%0.83470%0.704SS**  trans-73.280.1163.715.10000109.7S133T131-S133 VanDerWaalsContact C-N 3.35Å; T131-S133 PolarHBondContact O-N 3.41Å; T131-S133 VanDerWaalsContact O-N 3.08Å
132Y38.7Very low39.5Very low177 Ų177130.5 Ų130.569%0.69471%0.705SS**  trans-75.789.8164.6-173.6-98.8000108.7L130 F134L130-Y132 VanDerWaalsContact C-N 3.27Å; L130-Y132 PolarHBondContact O-N 2.83Å; Y132-F134 HydrophobicContact CE1-CD2 4.35Å
133S36.5Very low39.1Very low81 Ų81132.4 Ų132.457%0.56671%0.714SS**  trans-84.2117.8173.3-174.10000110.5T131 N135T131-S133 VanDerWaalsContact C-N 3.35Å; T131-S133 PolarHBondContact O-N 3.41Å; T131-S133 VanDerWaalsContact O-N 3.08Å; S133-N135 VanDerWaalsContact C-N 3.31Å; S133-N135 PolarHBondContact O-N 2.99Å; S133-N135 VanDerWaalsContact O-N 3.11Å; S133-N135 PolarHBondContact OG-OD1 2.96Å; S133-N135 VanDerWaalsContact OG-OD1 3.12Å
134F34.2Very low38.4Very low134 Ų134135.2 Ų135.259%0.58873%0.725SS**  trans-81.976.6171.2-163-93.6000109.2Y132 S136Y132-F134 HydrophobicContact CE1-CD2 4.35Å; F134-S136 PolarHBondContact O-N 3.49Å; F134-S136 VanDerWaalsContact O-N 3.13Å
135N36.5Very low38.1Very low134 Ų134133.7 Ų133.772%0.71772%0.721SS**  trans-81.787.3172.4-80.6-8.3000109.7S133 S137S133-N135 VanDerWaalsContact C-N 3.31Å; S133-N135 PolarHBondContact O-N 2.99Å; S133-N135 VanDerWaalsContact O-N 3.11Å; S133-N135 PolarHBondContact OG-OD1 2.96Å; S133-N135 VanDerWaalsContact OG-OD1 3.12Å; N135-S137 PolarHBondContact O-N 3.15Å
136S37.1Very low37.2Very low56 Ų56135.5 Ų135.539%0.39272%0.721SS.*  trans-90.478.9167.4-175.90000109.7F134 Y138F134-S136 PolarHBondContact O-N 3.49Å; F134-S136 VanDerWaalsContact O-N 3.13Å; S136-Y138 PolarHBondContact O-N 2.9Å; S136-Y138 WeakPolarHBondContact OG-CD1 3.41Å; S136-Y138 WeakPolarHBondContact OG-CE1 3.27Å
137S35.2Very low36.7Very low112 Ų112134.3 Ų134.378%0.78372%0.72SS**  trans-82.990.5172.6-56.10000109.9N135N135-S137 PolarHBondContact O-N 3.15Å
138Y41.1Very low36.1Very low117 Ų117134.3 Ų134.346%0.45972%0.721SS.*  trans-100.594.6161.338.2-100.1000109.1V54 S136 L140V54-Y138 WeakPolarHBondContact CB-OH 3.48Å; V54-Y138 WeakPolarHBondContact CG1-OH 3.41Å; V54-Y138 WeakPolarHBondContact CG2-OH 3.35Å; S136-Y138 PolarHBondContact O-N 2.9Å; S136-Y138 WeakPolarHBondContact OG-CD1 3.41Å; S136-Y138 WeakPolarHBondContact OG-CE1 3.27Å; Y138-L140 PolarHBondContact O-N 2.81Å
139N33.2Very low35.4Very low160 Ų160131.3 Ų131.386%0.85671%0.713SS**  trans-79.597.2156.7-87.1-25000107.1
140L37.3Very low34.9Very low148 Ų148130.8 Ų130.878%0.77571%0.71SS**  trans-98.290.4154.1-97.678.4000106.7Y138 N142Y138-L140 PolarHBondContact O-N 2.81Å; L140-N142 PolarHBondContact O-N 3.04Å; L140-N142 VanDerWaalsContact O-N 3.13Å
141S33.9Very low34.7Very low96 Ų96133 Ų13367%0.67172%0.717SS**  trans-67.697.4160.149.70000108T143S141-T143 PolarHBondContact O-N 2.79Å
142N30.4Very low34.4Very low147 Ų147136.8 Ų136.879%0.78672%0.722SS**  trans-77.395.6156.8-80.30.1000106.7L140L140-N142 PolarHBondContact O-N 3.04Å; L140-N142 VanDerWaalsContact O-N 3.13Å
143T36.1Very low34.3Very low108 Ų108132.6 Ų132.666%0.66372%0.719SS**  trans-129.589.916352.80000108S141 T145S141-T143 PolarHBondContact O-N 2.79Å; T143-T145 PolarHBondContact O-N 3.38Å; T143-T145 VanDerWaalsContact O-N 3.15Å
144D31.1Very low33.8Very low167 Ų167137.9 Ų137.989%0.89373%0.734SS**  trans-64.298154.1-76-45.9000107.7
145T37.4Very low33.9Very low116 Ų116138.6 Ų138.671%0.71274%0.742SS**  trans-160.1102.115919.50000109T143T143-T145 PolarHBondContact O-N 3.38Å; T143-T145 VanDerWaalsContact O-N 3.15Å
146L30.1Very low33.7Very low152 Ų152139.2 Ų139.280%0.79675%0.746SS**  trans29.5125.5130.9-74.6159.5000118.9
147L33.2Very low33.6Very low154 Ų154146.4 Ų146.481%0.80677%0.77SS**  trans89125142.8-66.6161.4000119.7
148N34.2Very low33.6Very low135 Ų135146.3 Ų146.372%0.72277%0.767SS**  trans83.2107.8145.3-98.316000121
149D31.8Very low32.9Very low126 Ų126149 Ų14967%0.67479%0.788SS**  49.4115.4122.3-72.7-10.5000120.2
150N30.3Very low33Very low139 Ų139147 Ų14774%0.74378%0.782SS**  trans50.894.4137.9-65.4-36.1000116.7
151Q35.2Very low32.9Very low197 Ų197146 Ų14692%0.92178%0.783SS**  -162129.1129.3-108.3161.289.800112.6
152K28.2Very low32.9Very low216 Ų216150.2 Ų150.294%0.93979%0.792SS**  trans-73.6114.4169.3-171.7-173.1-174.5-161.80107.3
153S36.7Very low33Very low90 Ų90148.8 Ų148.863%0.62979%0.793SS**  trans-141.8120.1166.659.70000110.6
154E27.5Very low32.9Very low192 Ų192149 Ų14990%0.89779%0.794SS**  trans-48.9130.5163.8-70.8166.1135.600110.1
155I34.7Very low33.1Very low148 Ų148147 Ų14776%0.75979%0.788SS**  trans-120.5108.6171.2-60.7173.7000107.9
156N34Very low32.8Very low148 Ų148146.9 Ų146.979%0.79179%0.788SS**PPolyproline II helixtrans-52.6136.5166.5-68.6-47.9000111.1
157F34.7Very low33.2Very low206 Ų206147 Ų14790%0.90479%0.787SS**PPolyproline II helixtrans-76.6130168.1-73.9-81.9000110.2
158P34.8Very low33.3Very low111 Ų111145 Ų14572%0.72178%0.782SS**PPolyproline II helixtrans-75.5129.3176.228.5-31.4000111.6
159L26.8Very low33.2Very low172 Ų172143.7 Ų143.790%0.90178%0.781SS**PPolyproline II helixtrans-67.3118.3164.6-172.779.1000109.1
160T35.4Very low33.5Very low119 Ų119144.5 Ų144.573%0.7379%0.785SS**  trans-125.694.2170.850.50000111.5
161T35.5Very low34Very low127 Ų127146.2 Ų146.278%0.77979%0.788SS**  trans39.1104.8134.756.80000118.8
162E32.2Very low34.3Very low185 Ų185141.7 Ų141.786%0.86478%0.776SS**  trans-63.4126.9156.2-61.7-177.2157.300110.1T164E162-T164 PolarHBondContact O-N 3.1Å
163S33.8Very low35.2Very low117 Ų117136.9 Ų136.982%0.81877%0.767SS**  trans-87.493.4172.4-166.30000109.3
164T33.9Very low35.4Very low111 Ų111138.2 Ų138.268%0.68177%0.774SS**  trans-66.6122.2168.8-57.50000110.1E162E162-T164 PolarHBondContact O-N 3.1Å
165V35.6Very low35.7Very low125 Ų125135 Ų13576%0.75877%0.767SS**  trans-103.4106.2164.2179.80000108.4
166T30.6Very low35.7Very low115 Ų115133.6 Ų133.671%0.70677%0.771SS**  trans-76.3124.8172.9-46.90000109.4
167I39.1Very low35.9Very low154 Ų154131.7 Ų131.779%0.7977%0.769SS**  trans-110110.7167.1-59.6175.5000107.7
168T34.4Very low36Very low113 Ų113126.5 Ų126.569%0.69376%0.758SS**  trans-78.7131.8176.8-410000110.5
169P31.4Very low36.1Very low107 Ų107127.3 Ų127.370%0.69576%0.761SS**  trans-101136.117635.6-26.8000111.3
170N39Very low36.5Very low143 Ų143122.8 Ų122.877%0.76574%0.742SS**  trans-153.5102161-83.4-34000107.9
171Q40.6Very low36.2Very low174 Ų174126.8 Ų126.881%0.81375%0.745SS**  88.3150.984-160.2-166-15.800112.3
172P41.1Very low35.9Very low102 Ų102130.3 Ų130.366%0.66275%0.749SS**  cis-133.3-175.2-49.144.1-27.8000113.1
173P47.1Very low35.8Very low116 Ų116127.3 Ų127.375%0.75374%0.743SS**  trans-103.1177-168.240.1-31.3000114.7
174P42.2Very low35.6Very low118 Ų118129.8 Ų129.877%0.76675%0.748SS**  trans-141.7128.2135.824-2.1000116.3
175T33.4Very low35.3Very low125 Ų125129.1 Ų129.177%0.76775%0.747SS**  38.7139.6125.149.90000124.5
176S35Very low35.2Very low118 Ų118130.7 Ų130.783%0.82575%0.75SS**  trans94.7129.6153.8-38.20000114.7
177S37.4Very low35.3Very low108 Ų108129.9 Ų129.976%0.75575%0.749SS**  cis-162.6153.918.352.40000112.1
178S37.4Very low34.9Very low96 Ų96131 Ų13167%0.67175%0.751SS**  trans28.7107.5153.668.10000122.4
179T36.5Very low34.6Very low129 Ų129131.3 Ų131.379%0.79175%0.753SS**  33.3156.1120.8570000121.8
180P35.8Very low34.4Very low76 Ų76131.3 Ų131.349%0.49475%0.751SS.*  cis-143.2177.6-6.318.811.3000116.1
181Y27.7Very low34.1Very low204 Ų204131.8 Ų131.880%0.875%0.748SS**  trans65.8128.6159.733.9-110.7000124.5
182K29Very low33.5Very low200 Ų200132.9 Ų132.987%0.8775%0.75SS**  trans78.598.1154-75-179.7176.6178.20117.9
183V31.1Very low33.1Very low122 Ų122134.7 Ų134.774%0.73975%0.754SS**  168.7103.9109.1162.50000104.6S185V183-S185 PolarHBondContact O-N 3.17Å
184N28.7Very low32.2Very low170 Ų170134 Ų13491%0.90975%0.751SS**  trans-72.485.8169.3-100.712.3000107.8I186N184-I186 PolarHBondContact O-N 3.36Å
185S28.9Very low31.6Very low96 Ų96136.7 Ų136.767%0.67175%0.754SS**  trans-54.6103.1155.5-61.90000107.1V183 S187V183-S185 PolarHBondContact O-N 3.17Å; S185-S187 VanDerWaalsContact C-N 3.34Å; S185-S187 PolarHBondContact O-N 3Å
186I32.8Very low31.7Very low159 Ų159137 Ų13782%0.81575%0.75SS**  trans-61.9107.3164.6-67.8171.2000105N184 Q188N184-I186 PolarHBondContact O-N 3.36Å; I186-Q188 PolarHBondContact O-N 3.23Å; I186-Q188 VanDerWaalsContact O-N 3.1Å
187S32Very low31.5Very low98 Ų98136.4 Ų136.469%0.68574%0.743SS**  trans-41118.9170.4-85.70000108.5S185 V189S185-S187 VanDerWaalsContact C-N 3.34Å; S185-S187 PolarHBondContact O-N 3Å; S187-V189 PolarHBondContact O-N 2.96Å
188Q31Very low31.4Very low176 Ų176136.9 Ų136.982%0.82274%0.741SS**  trans-61.690.8161.6-66.2-1802.200105.8I186 T190I186-Q188 PolarHBondContact O-N 3.23Å; I186-Q188 VanDerWaalsContact O-N 3.1Å; Q188-T190 PolarHBondContact O-N 3.41Å
189V28Very low31.2Very low121 Ų121137.3 Ų137.373%0.73374%0.74SS**  trans-68.884.9157.4-178.60000104.2S187 E191S187-V189 PolarHBondContact O-N 2.96Å; V189-E191 HydrophobicContact CG1-CG 4.2Å; V189-E191 PolarHBondContact O-N 2.89Å
190T28.2Very low31.4Very low107 Ų107137.1 Ų137.166%0.65674%0.739SS**  trans-65.787.1161-440000104.8Q188 K192Q188-T190 PolarHBondContact O-N 3.41Å; T190-K192 PolarHBondContact O-N 3.49Å
191E31.4Very low31.8Very low152 Ų152139.4 Ų139.471%0.7175%0.746SS**  trans-57.599.3156.1-82.3-174.1170.100105V189 L193V189-E191 HydrophobicContact CG1-CG 4.2Å; V189-E191 PolarHBondContact O-N 2.89Å; E191-L193 PolarHBondContact O-N 3.39Å
192K28.7Very low32.5Very low197 Ų197134 Ų13486%0.85774%0.736SS**  trans-5889.7155.3-82.8-165.7174.1-175.70104.7T190 S194T190-K192 PolarHBondContact O-N 3.49Å; K192-S194 PolarHBondContact O-N 2.88Å
193L32.1Very low33.7Very low140 Ų140128.6 Ų128.673%0.73372%0.72SS**  trans-54.9103.1154.4-126.985.7000103.3E191 E195E191-L193 PolarHBondContact O-N 3.39Å; L193-E195 PolarHBondContact O-N 2.91Å
194S28.9Very low34.6Very low101 Ų101125 Ų12571%0.70670%0.696SS**  trans-53.599.5162.9174.20000105K192 I196K192-S194 PolarHBondContact O-N 2.88Å; S194-I196 PolarHBondContact O-N 3.25Å
195E30.5Very low35.6Very low175 Ų175117.9 Ų117.982%0.81866%0.659SS**  trans-59.792.7165.6-75.6-176.9154.200104.8L193 P197L193-E195 PolarHBondContact O-N 2.91Å; E195-P197 WeakPolarHBondContact O-CD 3.35Å
196I34.3Very low36.9Very low132 Ų132115.3 Ų115.368%0.67764%0.638SS**  trans-53.8114162.1-60.8170.2000103.7S194 T198S194-I196 PolarHBondContact O-N 3.25Å; I196-T198 PolarHBondContact O-N 3.31Å; I196-T198 PolarHBondContact O-OG1 3.31Å
197P32Very low37.9Very low105 Ų105111.2 Ų111.268%0.68262%0.617SS**  trans-66.597.117727.2-29.8000105.1E195 T199E195-P197 WeakPolarHBondContact O-CD 3.35Å; P197-T199 PolarHBondContact O-N 2.96Å; P197-T199 PolarHBondContact O-OG1 3.4Å
198T34.2Very low38.9Very low118 Ų118109.8 Ų109.872%0.72460%0.601SS**  trans-75.382.4167.7-25.60000104.2I196 T200I196-T198 PolarHBondContact O-N 3.31Å; I196-T198 PolarHBondContact O-OG1 3.31Å; T198-T200 HydrophobicContact CG2-CG2 4.47Å; T198-T200 PolarHBondContact O-N 3.05Å
199T34.6Very low39.7Very low106 Ų106109.9 Ų109.965%0.6559%0.593SS**  trans-64.186.1170.1-370000105.8P197 L201P197-T199 PolarHBondContact O-N 2.96Å; P197-T199 PolarHBondContact O-OG1 3.4Å; T199-L201 HydrophobicContact CG2-CG 4.43Å; T199-L201 PolarHBondContact O-N 3.21Å
200T39.5Very low40.8Very low124 Ų124107.7 Ų107.776%0.76158%0.583SS**  trans-71.383.4173.150.90000106.9T198T198-T200 HydrophobicContact CG2-CG2 4.47Å; T198-T200 PolarHBondContact O-N 3.05Å
201L43.4Very low41.8Very low124 Ų124109.9 Ų109.965%0.64959%0.591SS**  trans-63.8144166.1-72.8169.6000108.5T199 V203T199-L201 HydrophobicContact CG2-CG 4.43Å; T199-L201 PolarHBondContact O-N 3.21Å; L201-V203 PolarHBondContact O-N 3.32Å; L201-V203 VanDerWaalsContact O-N 3.11Å
202P43.5Very low42.5Very low92 Ų92108.9 Ų108.960%0.59759%0.591SS**  trans-59.6118.4-176.524.1-32.7000109.8N204P202-N204 PolarHBondContact O-N 3.17Å; P202-N204 VanDerWaalsContact O-N 3.17Å
203V53.9Low43.2Very low86 Ų86105.6 Ų105.652%0.52159%0.593SS.*  trans-73.1104.7167.9176.80000106.3I94 L201 P205I94-V203 WeakPolarHBondContact CG2-O 3.46Å; L201-V203 PolarHBondContact O-N 3.32Å; L201-V203 VanDerWaalsContact O-N 3.11Å; V203-P205 WeakPolarHBondContact O-CD 3.26Å
204N49.8Very low43.7Very low46 Ų46102.9 Ų102.925%0.24659%0.586CS.*PPolyproline II helixtrans-61.3120.9173.1-74.6-11.1000108.7P202P202-N204 PolarHBondContact O-N 3.17Å; P202-N204 VanDerWaalsContact O-N 3.17Å
205P50.6Low44.1Very low20 Ų20105.9 Ų105.913%0.1359%0.594CS.*PPolyproline II helixtrans-76.2150.217834.6-31.7000108.5V86 P89 Y93 I94 V203V86-P205 PolarHBondContact N-O 3.44Å; P89-P205 VanDerWaalsContact CB-CD 3.43Å; P89-P205 HydrophobicContact CB-CG 3.07Å; P89-P205 HydrophobicContact CG-CG 3.55Å; Y93-P205 HydrophobicContact CG-CB 4.45Å; Y93-P205 HydrophobicContact CG-CG 4.44Å; I94-P205 HydrophobicContact CG2-CG 3.99Å; V203-P205 WeakPolarHBondContact O-CD 3.26Å
206I55.8Low44.6Very low42 Ų42104.5 Ų104.522%0.21559%0.592CS.*EExtended strand (participates in β ladder)trans-101.9123.3-179.4-64.1172.9000106.4F48 L83F48-I206 HydrophobicContact CD2-CD1 4.1Å; F48-I206 HydrophobicContact CE2-CD1 3.24Å; F48-I206 HydrophobicContact CZ-CD1 3.7Å; L83-I206 HydrophobicContact CB-CG2 3.45Å; L83-I206 VanDerWaalsContact CB-CG2 3.45Å; L83-I206 HydrophobicContact CD1-CG2 4.34Å; L83-I206 HydrophobicContact CD2-CG2 3.5Å; L83-I206 HydrophobicContact CG-CG2 3.9Å
207I54.1Low44.7Very low74 Ų74106.9 Ų106.938%0.37960%0.604SS.*EExtended strand (participates in β ladder)trans-93.6131.4174.6-60.3-179.3000107.9V86V86-I207 HydrophobicContact CG2-CB 4.15Å; V86-I207 HydrophobicContact CG2-CD1 3.85Å; V86-I207 HydrophobicContact CG2-CG1 3.81Å
208I52.8Low45Very low67 Ų67110.1 Ų110.134%0.34461%0.612SS.*EExtended strand (participates in β ladder)trans-84.7117.4173.8-70142.2000108.4W46 F81 L83W46-I208 HydrophobicContact CE3-CD1 3.67Å; W46-I208 HydrophobicContact CH2-CD1 4.13Å; W46-I208 HydrophobicContact CZ3-CD1 3.25Å; W46-I208 HydrophobicContact CZ3-CG1 4.31Å; F81-I208 HydrophobicContact CB-CG1 4.42Å; F81-I208 HydrophobicContact CB-CG2 3.76Å; F81-I208 HydrophobicContact CD1-CB 4.43Å; F81-I208 HydrophobicContact CD1-CG2 3Å; F81-I208 HydrophobicContact CD2-CG2 4.5Å; F81-I208 HydrophobicContact CE1-CG2 3.64Å; F81-I208 HydrophobicContact CG-CG2 3.49Å; F81-I208 VanDerWaalsContact CG-CG2 3.49Å; L83-I208 HydrophobicContact CD2-CD1 4.44Å; L83-I208 HydrophobicContact CD2-CG1 3.5Å; L83-I208 VanDerWaalsContact CD2-CG1 3.5Å
209R48.2Very low45.3Very low178 Ų178111.4 Ų111.467%0.67261%0.614SS**EExtended strand (participates in β ladder)trans-100.8123.9166.5-75.2-179.3172.4157.8-4.3108.8
210S50Low45.8Very low75 Ų75112.2 Ų112.252%0.52462%0.621SS.*PPolyproline II helixtrans-91.8129165.453.70000108.9N212S210-N212 PolarHBondContact O-N 3.08Å
211N49.9Very low45.5Very low154 Ų154112 Ų11282%0.82462%0.624SS**  trans-81.268.7170.3-102.3-0.8000109.3
212N45.1Very low45.3Very low130 Ų130109.2 Ų109.270%0.69563%0.626SS**  trans-105.584.3165.7-81.3-2.9000109.1S210 S214S210-N212 PolarHBondContact O-N 3.08Å; N212-S214 PolarHBondContact O-N 3.49Å
213S43.1Very low45.1Very low129 Ų129110.3 Ų110.390%0.90264%0.635SS**  trans-69.572.7153.8-178.20000108.2
214S43.1Very low44.6Very low83 Ų83113.5 Ų113.558%0.5865%0.65SS**SBendtrans-159.9116.6157.848.70000108.4N212 N216N212-S214 PolarHBondContact O-N 3.49Å; S214-N216 VanDerWaalsContact C-N 3.29Å; S214-N216 PolarHBondContact O-N 2.81Å
215N38.8Very low44.4Very low164 Ų164117.2 Ų117.288%0.87768%0.676SS**  trans-62.293.2167.2-67.4-35.8000107.8
216N39.5Very low43.7Very low146 Ų146121.3 Ų121.378%0.78171%0.706SS**  trans-173.5110.7148.5-87.7-27.7000108S214 M218S214-N216 VanDerWaalsContact C-N 3.29Å; S214-N216 PolarHBondContact O-N 2.81Å; N216-M218 VanDerWaalsContact C-N 3.29Å; N216-M218 PolarHBondContact O-N 2.85Å
217I36.3Very low43.3Very low182 Ų182124.5 Ų124.593%0.93373%0.732SS**  trans-66.493170.8-61.9168.2000106.6
218M38.2Very low42.7Very low172 Ų172129.4 Ų129.485%0.84775%0.753SS**  trans-124.7110.3167.9-132.2161.778.600107.3N216N216-M218 VanDerWaalsContact C-N 3.29Å; N216-M218 PolarHBondContact O-N 2.85Å
219L41.6Very low42Very low146 Ų146134.2 Ų134.276%0.76477%0.774SS**  trans-49.4139.4172-75.1148.4000109.4S221L219-S221 PolarHBondContact O-N 2.77Å
220P44.4Very low41.8Very low123 Ų123130.7 Ų130.780%0.79978%0.776SS**  trans-64.2101.4173.825-30.2000108.9G222P220-G222 PolarHBondContact O-N 3.09Å; P220-G222 VanDerWaalsContact O-N 3.13Å
221S33.5Very low41.7Very low119 Ų119134.2 Ų134.283%0.83279%0.787SS**  trans-80.778.1164.7-58.70000106.9L219 S223L219-S221 PolarHBondContact O-N 2.77Å; S221-S223 PolarHBondContact O-N 2.92Å
222G39.4Very low41.5Very low66 Ų66135.1 Ų135.168%0.6878%0.784SS**  trans-84.9105.5176.400000110.7P220 N224P220-G222 PolarHBondContact O-N 3.09Å; P220-G222 VanDerWaalsContact O-N 3.13Å; G222-N224 PolarHBondContact O-N 3.26Å
223S40Very low41.5Very low114 Ų114136.4 Ų136.480%0.79779%0.79SS**  trans-55.3112.9171.749.30000112.6S221S221-S223 PolarHBondContact O-N 2.92Å
224N42.6Very low41.6Very low153 Ų153137.3 Ų137.382%0.81878%0.783SS**  trans-120.4131.8159.5-89.9-24.9000108.9G222G222-N224 PolarHBondContact O-N 3.26Å
225P46.3Very low41.7Very low124 Ų124142.4 Ų142.481%0.80580%0.795SS**  trans-77.3133.5-179.330.7-31.5000111.7
226S35.5Very low42Very low107 Ų107139.9 Ų139.975%0.74879%0.791SS**  trans4586150.3-163.60000118.6
227S45.9Very low42.1Very low109 Ų109139.7 Ų139.776%0.76279%0.789SS**  trans-117.9109.7147.7169.30000107.4H229S227-H229 VanDerWaalsContact C-N 3.27Å; S227-H229 PolarHBondContact O-N 2.93Å
228Q43.4Very low42.2Very low176 Ų176142.1 Ų142.182%0.82279%0.787SS**  trans-71.875.7-176.9-69.5178.9-12.900111.2
229H37Very low42.6Very low169 Ų169141 Ų14178%0.78278%0.784SS**  trans-136.177.5158.6-91.4-72000109.2S227 I231S227-H229 VanDerWaalsContact C-N 3.27Å; S227-H229 PolarHBondContact O-N 2.93Å; H229-I231 PolarHBondContact O-N 2.95Å
230S44.7Very low42.6Very low103 Ų103139.8 Ų139.872%0.7279%0.787SS**  trans-76.9102.2168.863.90000109.2K232S230-K232 VanDerWaalsContact C-N 3.35Å; S230-K232 PolarHBondContact O-N 2.83Å
231I48Very low42.8Very low149 Ų149141.2 Ų141.276%0.76479%0.787SS**  trans-74.194.9164.5-58.2174.1000106.4H229 L233H229-I231 PolarHBondContact O-N 2.95Å; I231-L233 PolarHBondContact O-N 2.84Å; I231-L233 VanDerWaalsContact O-N 3.13Å
232K46.2Very low43.5Very low173 Ų173144.7 Ų144.775%0.75279%0.787SS**  trans-69.7106.5168.5-75.2-178.3179.5178.40107.5S230 I234S230-K232 VanDerWaalsContact C-N 3.35Å; S230-K232 PolarHBondContact O-N 2.83Å; K232-I234 VanDerWaalsContact C-N 3.33Å; K232-I234 PolarHBondContact O-N 3.23Å
233L44.4Very low43.9Very low157 Ų157152 Ų15282%0.82280%0.8SS**  trans-64.499164-68173.8000107.2I231 K235I231-L233 PolarHBondContact O-N 2.84Å; I231-L233 VanDerWaalsContact O-N 3.13Å; L233-K235 PolarHBondContact O-N 2.91Å
234I46Very low44.2Very low149 Ų149152 Ų15276%0.76480%0.8SS**  trans-63.8108169.1-62.5170.2000105.8K232 S236K232-I234 VanDerWaalsContact C-N 3.33Å; K232-I234 PolarHBondContact O-N 3.23Å; I234-S236 PolarHBondContact O-N 3.4Å; I234-S236 VanDerWaalsContact O-N 3.13Å
235K44.5Very low44.6Very low189 Ų189147.3 Ų147.382%0.82279%0.789SS**  trans-65.6109.2165.5-68.5-179.5-179.7178.80105.9L233 D237L233-K235 PolarHBondContact O-N 2.91Å; K235-D237 VanDerWaalsContact C-N 3.31Å; K235-D237 PolarHBondContact O-N 2.93Å
236S45Very low44.9Very low112 Ų112147.3 Ų147.378%0.78379%0.789SS**  trans-6796.9169.4-53.40000107.9I234 R238I234-S236 PolarHBondContact O-N 3.4Å; I234-S236 VanDerWaalsContact O-N 3.13Å; S236-R238 PolarHBondContact O-N 3.1Å
237D41.6Very low45.5Very low141 Ų141151.8 Ų151.875%0.75480%0.795SS**  trans-57.5127.2166.1-96.5-35.9000109.3K235K235-D237 VanDerWaalsContact C-N 3.31Å; K235-D237 PolarHBondContact O-N 2.93Å
238R38.1Very low45.8Very low233 Ų233152.2 Ų152.288%0.87979%0.792SS**  trans49.276155.2-60.1-173.1173.1-160-1.4116.5S236S236-R238 PolarHBondContact O-N 3.1Å
239L46.5Very low46.2Very low150 Ų150148.5 Ų148.579%0.78578%0.782SS**  trans-121.1101.1144.7-72174000109L241L239-L241 HydrophobicContact CB-CD1 4.31Å; L239-L241 PolarHBondContact O-N 3.05Å
240S41.8Very low46.6Very low119 Ų119146.7 Ų146.783%0.83278%0.778SS**  trans-59.979.6165.753.80000109.8K242S240-K242 PolarHBondContact O-N 3.14Å
241L48.9Very low46.9Very low153 Ų153150.9 Ų150.980%0.80178%0.779SS**  trans-76.594.4169.9-88.5136000107.8L239 K243L239-L241 HydrophobicContact CB-CD1 4.31Å; L239-L241 PolarHBondContact O-N 3.05Å; L241-K243 PolarHBondContact O-N 2.98Å
242K47.8Very low47.1Very low192 Ų192152.9 Ų152.984%0.83578%0.783SS**  trans-35130.7165.1-74.7-178.4168.8-179.80109.9S240 S244S240-K242 PolarHBondContact O-N 3.14Å; K242-S244 VanDerWaalsContact C-N 3.34Å; K242-S244 PolarHBondContact O-N 3.07Å
243K48.8Very low47.3Very low219 Ų219148.3 Ų148.395%0.95278%0.777SS**  trans-42.692.8166.8-85.6167.6166.2171.80110.6L241L241-K243 PolarHBondContact O-N 2.98Å
244S44.9Very low47.7Very low114 Ų114146.7 Ų146.780%0.79777%0.773SS**  trans-96.484.4160.464.40000106.7K242K242-S244 VanDerWaalsContact C-N 3.34Å; K242-S244 PolarHBondContact O-N 3.07Å
245G52.4Low48Very low56 Ų56149.3 Ų149.358%0.57778%0.779SS**  trans-62.2153.8165.200000109.8K247G245-K247 PolarHBondContact O-N 2.83Å; G245-K247 VanDerWaalsContact O-N 3.09Å
246P51.4Low48.5Very low124 Ų124151.1 Ų151.181%0.80578%0.781SS**  trans-60.2118.3176.2-1225.3000108.7V248P246-V248 VanDerWaalsContact C-N 3.28Å; P246-V248 PolarHBondContact O-N 3.36Å
247K49Very low48.5Very low201 Ų201157.2 Ų157.287%0.87479%0.787SS**  trans-66.594164-89.7180172.1177.80107G245 T249G245-K247 PolarHBondContact O-N 2.83Å; G245-K247 VanDerWaalsContact O-N 3.09Å; K247-T249 PolarHBondContact O-N 3.33Å
248V51.3Low49.1Very low117 Ų117161.8 Ų161.871%0.70979%0.794SS**  trans-66.1101.4163.5178.50000105.7P246 D250P246-V248 VanDerWaalsContact C-N 3.28Å; P246-V248 PolarHBondContact O-N 3.36Å; V248-D250 PolarHBondContact O-N 2.86Å; V248-D250 VanDerWaalsContact O-N 3.14Å
249T51.7Low49.4Very low98 Ų98159.7 Ų159.760%0.60179%0.794SS**  trans-67.6105.9170.144.20000108.1K247 Y251K247-T249 PolarHBondContact O-N 3.33Å; T249-Y251 HydrophobicContact CG2-CE2 4.25Å; T249-Y251 PolarHBondContact O-N 2.8Å
250D45Very low49.7Very low131 Ų131158.1 Ų158.170%0.70180%0.795SS**  trans-67.277.2174.4-79.4-30000110.9V248 F252 A253V248-D250 PolarHBondContact O-N 2.86Å; V248-D250 VanDerWaalsContact O-N 3.14Å; D250-F252 PolarHBondContact O-N 3.25Å; D250-A253 HydrophobicContact CB-CB 4.39Å
251Y52.5Low49.8Very low192 Ų192161.1 Ų161.175%0.75380%0.798SS**THydrogen-bonded Turntrans-78.32.9173.5-88.8-84.3000113.7T249T249-Y251 HydrophobicContact CG2-CE2 4.25Å; T249-Y251 PolarHBondContact O-N 2.8Å
252F50.3Low49.7Very low190 Ų190167.1 Ų167.183%0.83382%0.818SS**THydrogen-bonded Turntrans-134.423.5-177.8-66.1-77.1000114.4D250 V254D250-F252 PolarHBondContact O-N 3.25Å; F252-V254 VanDerWaalsContact C-N 3.27Å; F252-V254 PolarHBondContact O-N 3.39Å
253A51.9Low49.8Very low77 Ų77165.9 Ų165.964%0.63682%0.817SS**  trans-69.287.317200000110.4D250 K255D250-A253 HydrophobicContact CB-CB 4.39Å; A253-K255 PolarHBondContact O-N 2.86Å
254V51.5Low49.9Very low123 Ų123163.1 Ų163.175%0.74581%0.81SS**  trans-57.3105.8168.3174.60000108F252 R256F252-V254 VanDerWaalsContact C-N 3.27Å; F252-V254 PolarHBondContact O-N 3.39Å; V254-R256 PolarHBondContact O-N 3.19Å
255K52.1Low50.2Low204 Ų204165.8 Ų165.889%0.88781%0.811SS**  trans-58.392.9170.1-91.3178.9172.3174.20109.6A253 R257A253-K255 PolarHBondContact O-N 2.86Å; K255-R257 PolarHBondContact O-N 3.24Å
256R55.3Low50Low228 Ų228172.3 Ų172.386%0.8683%0.825SS**  trans-78.597.4158.6-76.3-168.5-172.4167.42.5108.4V254 R258V254-R256 PolarHBondContact O-N 3.19Å; R256-R258 PolarHBondContact O-N 3.03Å
257R45.6Very low50Low240 Ų240175.3 Ų175.391%0.90683%0.826SS**  trans-65.1105.2168-143.6179.3-161.91632.1107.3K255K255-R257 PolarHBondContact O-N 3.24Å
258R53.5Low50Low237 Ų237173.6 Ų173.689%0.89482%0.823SS**  trans-92.5110.1162.6-81.7-168.4166.4-171.3-3.8107.6R256R256-R258 PolarHBondContact O-N 3.03Å
259Q46.1Very low49.9Very low188 Ų188177.6 Ų177.688%0.87983%0.831SS**  trans-68.7130.8158.4-71.6-174.4-17.700107.5
260S52.3Low49.8Very low118 Ų118183.8 Ų183.883%0.82585%0.848SS**  trans-135.6138.1165.7-179.80000107
261M43.8Very low50.2Low181 Ų181188.2 Ų188.289%0.89286%0.861SS**  trans-66.1152.1-165.4-52.6-154.396.900114
262K47.3Very low50Low280 Ų280187.8 Ų187.8100%1.21787%0.87SS**  trans-110.60136.9-94.2-173.5175.8-178.60107

Retrieved 262 of 262 residues in 107.3 ms (Link to these results)