A0A087YQV2_POEFO Loading...

CDC42 effector protein (Rho GTPase binding) 3

AlphaFold DB , UniProt , Accession A0A087YQV2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 248 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
1M57.3Low71.4Confident232 Ų232120.7 Ų120.7100%1.14365%0.653SS**  0134.80-65.317372.900108.4
2P61.4Low71.3Confident128 Ų128124 Ų12483%0.83167%0.667SS**PPolyproline II helixtrans-68.1133.4178.126.8-31.8000110.7K4P2-K4 PolarHBondContact O-N 3.5Å
3A72.6Confident70.8Confident105 Ų105122.8 Ų122.887%0.86868%0.675SS**PPolyproline II helixtrans-67.1129.9178.200000110.6
4K77.4Confident70.3Confident210 Ų210118.2 Ų118.291%0.91366%0.655SS**PPolyproline II helixtrans-83.8122.9-177.8-142.6158.4-174.5171.20108.9P2P2-K4 PolarHBondContact O-N 3.5Å
5A75.3Confident70Confident66 Ų66123.7 Ų123.755%0.54567%0.67SS.*PPolyproline II helixtrans-62.2142.7177.900000110.6
6P78.3Confident69.5Low48 Ų48129 Ų12931%0.31269%0.685SS.*PPolyproline II helixtrans-57.6146.4177.3-19.227.5000112.2Y8 L9 K10P6-Y8 HydrophobicContact CB-CD1 3.7Å; P6-Y8 HydrophobicContact CB-CD2 4.19Å; P6-Y8 HydrophobicContact CB-CE1 3.17Å; P6-Y8 HydrophobicContact CB-CE2 3.73Å; P6-Y8 HydrophobicContact CB-CG 4.17Å; P6-Y8 WeakPolarHBondContact CB-OH 3.32Å; P6-Y8 HydrophobicContact CG-CE1 4.09Å; P6-Y8 HydrophobicContact CG-CE2 4.12Å; P6-Y8 WeakPolarHBondContact CG-OH 3.13Å; P6-Y8 PolarHBondContact O-N 3.33Å; P6-L9 HydrophobicContact CG-CD1 4.2Å; P6-L9 PolarHBondContact O-N 3.29Å; P6-K10 PolarHBondContact O-N 3.41Å
7I75.9Confident69.6Low132 Ų132126.2 Ų126.268%0.67769%0.694SS**G310 helixtrans-57.7-35.5-174.8-60.8175.7000111.8L9 K10I7-L9 PolarHBondContact O-N 3.2Å; I7-K10 HydrophobicContact CB-CD 4.48Å; I7-K10 HydrophobicContact CG2-CD 4.16Å; I7-K10 VanDerWaalsContact O-CB 3.3Å; I7-K10 WeakPolarHBondContact O-CB 3.38Å; I7-K10 WeakPolarHBondContact O-CG 3.35Å; I7-K10 PolarHBondContact O-N 3.21Å
8Y71.8Confident69.7Low171 Ų171128.8 Ų128.867%0.67170%0.697SS**G310 helixtrans-72.4-12.7178.455.8-97.7000114.2P6P6-Y8 HydrophobicContact CB-CD1 3.7Å; P6-Y8 HydrophobicContact CB-CD2 4.19Å; P6-Y8 HydrophobicContact CB-CE1 3.17Å; P6-Y8 HydrophobicContact CB-CE2 3.73Å; P6-Y8 HydrophobicContact CB-CG 4.17Å; P6-Y8 WeakPolarHBondContact CB-OH 3.32Å; P6-Y8 HydrophobicContact CG-CE1 4.09Å; P6-Y8 HydrophobicContact CG-CE2 4.12Å; P6-Y8 WeakPolarHBondContact CG-OH 3.13Å; P6-Y8 PolarHBondContact O-N 3.33Å
9L73.4Confident70Confident35 Ų35131.1 Ų131.118%0.18370%0.7CS.*G310 helixtrans-1025.5172.7-60.6-175.2000112.4P6 I7 P11 L22 L26P6-L9 HydrophobicContact CG-CD1 4.2Å; P6-L9 PolarHBondContact O-N 3.29Å; I7-L9 PolarHBondContact O-N 3.2Å; L9-P11 WeakPolarHBondContact O-CD 3.34Å; L9-L22 HydrophobicContact CB-CD2 4.35Å; L9-L22 HydrophobicContact CD1-CD2 4.09Å; L9-L22 HydrophobicContact CD2-CD2 4.05Å; L9-L22 HydrophobicContact CG-CD2 4.39Å; L9-L26 HydrophobicContact CD2-CD1 4.08Å; L9-L26 HydrophobicContact CD2-CD2 3.76Å; L9-L26 HydrophobicContact CD2-CG 4.09Å
10K73.2Confident70Confident121 Ų121126.7 Ų126.753%0.52668%0.68SS.*  trans-63.4120.1177.2-76177.5179.7174.60108.9P6 I7 I12P6-K10 PolarHBondContact O-N 3.41Å; I7-K10 HydrophobicContact CB-CD 4.48Å; I7-K10 HydrophobicContact CG2-CD 4.16Å; I7-K10 VanDerWaalsContact O-CB 3.3Å; I7-K10 WeakPolarHBondContact O-CB 3.38Å; I7-K10 WeakPolarHBondContact O-CG 3.35Å; I7-K10 PolarHBondContact O-N 3.21Å; K10-I12 PolarHBondContact O-N 3.42Å
11P69.1Low70.5Confident80 Ų80127.7 Ų127.752%0.51967%0.674SS.*  trans-54.1113.8170.6-30.840.8000110.9L9 S13 C20L9-P11 WeakPolarHBondContact O-CD 3.34Å; P11-S13 PolarHBondContact O-N 2.92Å; P11-C20 WeakPolarHBondContact CB-SG 3.49Å
12I70Confident71.7Confident160 Ų160121.4 Ų121.482%0.82164%0.644SS**  trans-68.3121.9162.7-53.2170000104.9K10 S14K10-I12 PolarHBondContact O-N 3.42Å; I12-S14 PolarHBondContact O-N 3.2Å
13S64.3Low72.7Confident109 Ų109124.8 Ų124.876%0.76264%0.641SS**  trans-34.6108.7-16556.60000114.4P11 K15P11-S13 PolarHBondContact O-N 2.92Å; S13-K15 PolarHBondContact O-N 3.43Å
14S63.9Low73.2Confident58 Ų58125 Ų12541%0.40663%0.627SS.*  trans-69.3119.2173.161.10000108.6I12 K16 K18I12-S14 PolarHBondContact O-N 3.2Å; S14-K16 PolarHBondContact O-N 3.37Å; S14-K18 WeakPolarHBondContact CB-O 3.48Å; S14-K18 PolarHBondContact OG-O 3.01Å
15K66.9Low73.5Confident201 Ų201117.5 Ų117.587%0.87460%0.596SS**SBendtrans-58.8105.2173.7-66.7-174.1178.4176.90109.2S13S13-K15 PolarHBondContact O-N 3.43Å
16K61.8Low74Confident208 Ų208116.4 Ų116.490%0.90458%0.581SS**SBendtrans41.599.8163.2-150.7162-176.9173.60116.3S14S14-K16 PolarHBondContact O-N 3.37Å
17G70.6Confident74.4Confident82 Ų82117.3 Ų117.385%0.84559%0.588SS**SBendtrans100.5-7.815600000117.6
18K72.2Confident74.9Confident172 Ų172116 Ų11675%0.74859%0.589SS**  trans-111.6113.6177.2-62.2-176.9-1771800110.1S14 C20S14-K18 WeakPolarHBondContact CB-O 3.48Å; S14-K18 PolarHBondContact OG-O 3.01Å; K18-C20 PolarHBondContact O-N 3.46Å; K18-C20 VanDerWaalsContact O-N 3.12Å
19K74.6Confident75.7Confident173 Ų173115.7 Ų115.775%0.75260%0.598SS**  trans-59.6112.7170.351.8-176.9176.3-177.30109R21K19-R21 PolarHBondContact O-N 2.87Å
20C69.8Low76.6Confident43 Ų43120 Ų12029%0.29162%0.619SS.*  trans-61.1116.3169.952.20000108.2P11 K18 I25P11-C20 WeakPolarHBondContact CB-SG 3.49Å; K18-C20 PolarHBondContact O-N 3.46Å; K18-C20 VanDerWaalsContact O-N 3.12Å; C20-I25 HydrophobicContact CB-CD1 4.1Å; C20-I25 HydrophobicContact CB-CG1 4.34Å
21R80.6Confident77.2Confident147 Ų147119.1 Ų119.156%0.55562%0.619SS**  trans-80.5153.3174.9-63.8174.1173.3151.7-4.1107.7K19 R23 D24 I25K19-R21 PolarHBondContact O-N 2.87Å; R21-R23 HydrophobicContact CB-CG 3.8Å; R21-R23 PolarHBondContact O-N 2.93Å; R21-R23 VanDerWaalsContact O-N 3.11Å; R21-D24 WeakPolarHBondContact CB-OD2 3.49Å; R21-D24 PolarHBondContact N-OD2 2.98Å; R21-D24 WeakPolarHBondContact O-CA 3.44Å; R21-D24 WeakPolarHBondContact O-CB 3.38Å; R21-D24 PolarHBondContact O-N 3.5Å; R21-I25 PolarHBondContact O-N 3.21Å
22L81.9Confident78.1Confident101 Ų101118.9 Ų118.953%0.52962%0.62SS.*Hα-helixtrans-54-34.4176.6-70.7172.9000112.5L9 D24 I25 L26L9-L22 HydrophobicContact CB-CD2 4.35Å; L9-L22 HydrophobicContact CD1-CD2 4.09Å; L9-L22 HydrophobicContact CD2-CD2 4.05Å; L9-L22 HydrophobicContact CG-CD2 4.39Å; L22-D24 PolarHBondContact O-N 3.45Å; L22-I25 PolarHBondContact O-N 3.37Å; L22-I25 VanDerWaalsContact O-N 3.12Å; L22-L26 WeakPolarHBondContact O-CB 3.44Å; L22-L26 PolarHBondContact O-N 2.86Å
23R82.9Confident78.9Confident199 Ų199116.1 Ų116.175%0.75161%0.612SS**Hα-helixtrans-64.3-21.4174.469.9-177.265.3-146.2-2.8114.9R21R21-R23 HydrophobicContact CB-CG 3.8Å; R21-R23 PolarHBondContact O-N 2.93Å; R21-R23 VanDerWaalsContact O-N 3.11Å
24D83.2Confident79.9Confident109 Ų109116 Ų11658%0.58361%0.608SS**Hα-helixtrans-87.4-16.1177.5-50-32.4000110.9R21 L22R21-D24 WeakPolarHBondContact CB-OD2 3.49Å; R21-D24 PolarHBondContact N-OD2 2.98Å; R21-D24 WeakPolarHBondContact O-CA 3.44Å; R21-D24 WeakPolarHBondContact O-CB 3.38Å; R21-D24 PolarHBondContact O-N 3.5Å; L22-D24 PolarHBondContact O-N 3.45Å
25I84.6Confident80.9Confident52 Ų52119.6 Ų119.627%0.26762%0.623SS.*Hα-helixtrans-101.6-39.7-178.2-59.1170.6000110.6C20 R21 L22C20-I25 HydrophobicContact CB-CD1 4.1Å; C20-I25 HydrophobicContact CB-CG1 4.34Å; R21-I25 PolarHBondContact O-N 3.21Å; L22-I25 PolarHBondContact O-N 3.37Å; L22-I25 VanDerWaalsContact O-N 3.12Å
26L84.4Confident81.5Confident44 Ų44113 Ų11323%0.2361%0.612CS.*SBendtrans-91.6117.4178.8-62.6175.7000109.8L9 L22 M30 I31L9-L26 HydrophobicContact CD2-CD1 4.08Å; L9-L26 HydrophobicContact CD2-CD2 3.76Å; L9-L26 HydrophobicContact CD2-CG 4.09Å; L22-L26 WeakPolarHBondContact O-CB 3.44Å; L22-L26 PolarHBondContact O-N 2.86Å; L26-M30 HydrophobicContact CD2-CE 4.33Å; L26-I31 HydrophobicContact CB-CD1 4.19Å; L26-I31 HydrophobicContact CB-CG1 4.48Å; L26-I31 HydrophobicContact CD1-CD1 4.43Å
27S87.3Confident82.5Confident66 Ų66108.5 Ų108.546%0.46260%0.597SS.*  trans-73.7147.5167.8-620000109.9D29 M30S27-D29 PolarHBondContact O-N 3.1Å; S27-D29 VanDerWaalsContact O-N 3.16Å; S27-M30 WeakPolarHBondContact O-CB 3.45Å; S27-M30 PolarHBondContact O-N 2.83Å
28P86.2Confident82.6Confident105 Ų105111.8 Ų111.868%0.68259%0.589SS**G310 helixtrans-52.9-37178.2-2735.1000113.2M30 I31P28-M30 PolarHBondContact O-N 3.11Å; P28-I31 WeakPolarHBondContact O-CB 3.37Å; P28-I31 PolarHBondContact O-N 3.29Å
29D88.8Confident83Confident164 Ų164113.1 Ų113.188%0.87759%0.589SS**G310 helixtrans-69.2-17.4179.7-58.2-14.2000113.4S27 I31S27-D29 PolarHBondContact O-N 3.1Å; S27-D29 VanDerWaalsContact O-N 3.16Å; D29-I31 VanDerWaalsContact C-N 3.27Å
30M91.8Very high83.1Confident127 Ų127113.4 Ų113.463%0.62659%0.593SS**G310 helixtrans-82.2-8.9171.9-61.1178.263.800112.5L26 S27 P28L26-M30 HydrophobicContact CD2-CE 4.33Å; S27-M30 WeakPolarHBondContact O-CB 3.45Å; S27-M30 PolarHBondContact O-N 2.83Å; P28-M30 PolarHBondContact O-N 3.11Å
31I87Confident83.2Confident102 Ų102117.3 Ų117.352%0.52362%0.615SS.*SBendtrans-108.4108179.4-55.8174.1000106.5L26 P28 D29L26-I31 HydrophobicContact CB-CD1 4.19Å; L26-I31 HydrophobicContact CB-CG1 4.48Å; L26-I31 HydrophobicContact CD1-CD1 4.43Å; P28-I31 WeakPolarHBondContact O-CB 3.37Å; P28-I31 PolarHBondContact O-N 3.29Å; D29-I31 VanDerWaalsContact C-N 3.27Å
32S86.4Confident82.7Confident75 Ų75114.4 Ų114.452%0.52461%0.61SS.*PPolyproline II helixtrans-59.2144.6176.254.60000110.7
33P87.9Confident82Confident101 Ų101117 Ų11766%0.65662%0.619SS**PPolyproline II helixtrans-58.8160.7168.527.3-34.2000110.2L35P33-L35 PolarHBondContact O-N 3.33Å
34P85.6Confident81.2Confident107 Ų107112.2 Ų112.270%0.69561%0.607SS**PPolyproline II helixtrans-48.9117.5172.618-30.2000109.7G36 F38P34-G36 PolarHBondContact O-N 3.21Å; P34-F38 HydrophobicContact CB-CE2 3.75Å; P34-F38 HydrophobicContact CB-CZ 4.36Å
35L84Confident80.1Confident134 Ų134107.7 Ų107.770%0.70259%0.587SS**  trans-71.63.9-170.1-75.6126.5000113.5P33 D37P33-L35 PolarHBondContact O-N 3.33Å; L35-D37 PolarHBondContact O-N 3.35Å
36G79.5Confident79Confident63 Ų63113.7 Ų113.765%0.64961%0.611SS**SBendtrans65.18.2-178.400000113.4P34 F38P34-G36 PolarHBondContact O-N 3.21Å; G36-F38 PolarHBondContact O-N 2.99Å; G36-F38 VanDerWaalsContact O-N 3.14Å
37D82.8Confident78Confident112 Ų112113.5 Ų113.560%0.59962%0.619SS**  trans-80.419.117770.7-31.9000112.5L35 R39L35-D37 PolarHBondContact O-N 3.35Å; D37-R39 PolarHBondContact O-N 3.4Å
38F73.9Confident77.1Confident152 Ų152111 Ų11167%0.66761%0.605SS**  trans-66.483.2174.1-68.5-76.1000110.3P34 G36P34-F38 HydrophobicContact CB-CE2 3.75Å; P34-F38 HydrophobicContact CB-CZ 4.36Å; G36-F38 PolarHBondContact O-N 2.99Å; G36-F38 VanDerWaalsContact O-N 3.14Å
39R80.3Confident75.9Confident200 Ų200114.3 Ų114.376%0.75561%0.611SS**  trans-82.6120.1166-61.3-179.263.6-98.3-4.8106.4D37 T41D37-R39 PolarHBondContact O-N 3.4Å; R39-T41 PolarHBondContact O-N 2.97Å
40H75.9Confident74.6Confident179 Ų179117.5 Ų117.583%0.82961%0.611SS**  trans-62.3110.8172.7-6870.6000107.5I42H40-I42 VanDerWaalsContact C-N 3.3Å
41T72.9Confident73.5Confident124 Ų124113.2 Ų113.276%0.76159%0.59SS**  trans-81.4-13.1-17947.30000112.5R39R39-T41 PolarHBondContact O-N 2.97Å
42I68.9Low72.4Confident87 Ų87112.1 Ų112.145%0.44660%0.596SS.*SBendtrans-140.8134.3-170.4-51173.6000109H40 A52 F53H40-I42 VanDerWaalsContact C-N 3.3Å; I42-A52 HydrophobicContact CG2-CB 3.87Å; I42-F53 HydrophobicContact CB-CE2 3.69Å; I42-F53 HydrophobicContact CB-CZ 3.51Å; I42-F53 HydrophobicContact CG2-CD2 3.99Å; I42-F53 HydrophobicContact CG2-CE2 3.16Å; I42-F53 HydrophobicContact CG2-CZ 3.54Å
43H66.6Low71.5Confident155 Ų155113.4 Ų113.472%0.71859%0.592SS**  trans-88123.9173.4171.871.1000109.2G45H43-G45 PolarHBondContact O-N 3.47Å
44I67.8Low70.7Confident99 Ų99109.9 Ų109.951%0.50858%0.575SS.*  trans-76.8104.6171.2-56.2164.3000107D51 F53I44-D51 VanDerWaalsContact CA-OD2 3.29Å; I44-D51 WeakPolarHBondContact CA-OD2 3.39Å; I44-F53 HydrophobicContact CB-CD2 3.89Å; I44-F53 HydrophobicContact CB-CE2 3.94Å; I44-F53 HydrophobicContact CD1-CD1 4.49Å; I44-F53 HydrophobicContact CD1-CE1 4.4Å; I44-F53 HydrophobicContact CD1-CE2 4.38Å; I44-F53 HydrophobicContact CD1-CZ 4.31Å; I44-F53 HydrophobicContact CG1-CB 4.48Å; I44-F53 HydrophobicContact CG1-CD1 4.01Å; I44-F53 HydrophobicContact CG1-CD2 3.3Å; I44-F53 HydrophobicContact CG1-CE1 3.93Å; I44-F53 HydrophobicContact CG1-CE2 3.16Å; I44-F53 HydrophobicContact CG1-CG 3.68Å; I44-F53 HydrophobicContact CG1-CZ 3.49Å; I44-F53 VanDerWaalsContact CG1-CZ 3.49Å; I44-F53 HydrophobicContact CG2-CD2 4.21Å
45G60.3Low70.1Confident14 Ų14109.5 Ų109.514%0.14457%0.567CS.*  trans-72.6149.8173.100000112.1H43 G47 D51H43-G45 PolarHBondContact O-N 3.47Å; G45-G47 PolarHBondContact O-N 3.01Å; G45-D51 PolarHBondContact N-OD1 3.01Å; G45-D51 PolarHBondContact N-OD2 3.18Å
46K61.3Low69.6Low177 Ų177104.7 Ų104.777%0.7754%0.541SS*.THydrogen-bonded Turntrans-60.9-1.1177.2-167174.5172.6-178.50114.2
47G61.9Low69.4Low40 Ų40104.9 Ų104.941%0.41253%0.533SS..THydrogen-bonded Turntrans-84.8-3.6-169.600000116.6G45 E49 R50G45-G47 PolarHBondContact O-N 3.01Å; G47-E49 PolarHBondContact O-N 2.96Å; G47-R50 PolarHBondContact O-N 3.25Å
48G69Low69.2Low15 Ų15107 Ų10716%0.15554%0.537CS..G310 helixtrans57.5-120.8175.500000112.9R50 D51G48-R50 PolarHBondContact O-N 3.16Å; G48-D51 WeakPolarHBondContact O-CB 3.43Å; G48-D51 PolarHBondContact O-N 2.93Å
49E60.8Low69.5Low173 Ų173101 Ų10181%0.80851%0.512SS*.G310 helixtrans-48.9-22.7-179.5-170-179.3-179.900114.8G47G47-E49 PolarHBondContact O-N 2.96Å
50R62.8Low69.3Low232 Ų23299.6 Ų99.688%0.87551%0.514SS*.G310 helixtrans-97-3.6179.8-59-174.1-84.4166.9-9.1114.4G47 G48G47-R50 PolarHBondContact O-N 3.25Å; G48-R50 PolarHBondContact O-N 3.16Å
51D68.3Low69.1Low36 Ų3693.2 Ų93.219%0.19350%0.497CS..SBendtrans-95.8158.1-178.3-175.441.8000111.9I44 G45 G48 F53 G54I44-D51 VanDerWaalsContact CA-OD2 3.29Å; I44-D51 WeakPolarHBondContact CA-OD2 3.39Å; G45-D51 PolarHBondContact N-OD1 3.01Å; G45-D51 PolarHBondContact N-OD2 3.18Å; G48-D51 WeakPolarHBondContact O-CB 3.43Å; G48-D51 PolarHBondContact O-N 2.93Å; D51-F53 PolarHBondContact O-N 3.27Å; D51-G54 PolarHBondContact O-N 2.96Å
52A63.8Low69.1Low79 Ų7992.8 Ų92.865%0.65348%0.484SS*.THydrogen-bonded Turntrans-57.4-19.3-174.300000114.5I42I42-A52 HydrophobicContact CG2-CB 3.87Å
53F67.7Low69.3Low102 Ų10292.3 Ų92.345%0.44748%0.477SS..THydrogen-bonded Turntrans-92-5.4178.3-67.5-92.2000114.1I42 I44 D51I42-F53 HydrophobicContact CB-CE2 3.69Å; I42-F53 HydrophobicContact CB-CZ 3.51Å; I42-F53 HydrophobicContact CG2-CD2 3.99Å; I42-F53 HydrophobicContact CG2-CE2 3.16Å; I42-F53 HydrophobicContact CG2-CZ 3.54Å; I44-F53 HydrophobicContact CB-CD2 3.89Å; I44-F53 HydrophobicContact CB-CE2 3.94Å; I44-F53 HydrophobicContact CD1-CD1 4.49Å; I44-F53 HydrophobicContact CD1-CE1 4.4Å; I44-F53 HydrophobicContact CD1-CE2 4.38Å; I44-F53 HydrophobicContact CD1-CZ 4.31Å; I44-F53 HydrophobicContact CG1-CB 4.48Å; I44-F53 HydrophobicContact CG1-CD1 4.01Å; I44-F53 HydrophobicContact CG1-CD2 3.3Å; I44-F53 HydrophobicContact CG1-CE1 3.93Å; I44-F53 HydrophobicContact CG1-CE2 3.16Å; I44-F53 HydrophobicContact CG1-CG 3.68Å; I44-F53 HydrophobicContact CG1-CZ 3.49Å; I44-F53 VanDerWaalsContact CG1-CZ 3.49Å; I44-F53 HydrophobicContact CG2-CD2 4.21Å; D51-F53 PolarHBondContact O-N 3.27Å
54G70.8Confident69.4Low28 Ų2892.3 Ų92.329%0.28948%0.477SS..  trans64.5-171.3176.100000113.9D51 M56D51-G54 PolarHBondContact O-N 2.96Å; G54-M56 PolarHBondContact O-N 3.16Å
55D72.4Confident69.7Low99 Ų9993.3 Ų93.353%0.52948%0.483SS..  trans-41.5121-171.6-177.218.8000115.3S57D55-S57 VanDerWaalsContact C-N 3.32Å; D55-S57 VanDerWaalsContact CG-OG 3.24Å; D55-S57 WeakPolarHBondContact OD1-CB 3.3Å; D55-S57 PolarHBondContact OD1-N 3.15Å; D55-S57 PolarHBondContact OD1-OG 3.18Å; D55-S57 VanDerWaalsContact OD2-CB 3.28Å; D55-S57 WeakPolarHBondContact OD2-CB 3.39Å; D55-S57 PolarHBondContact OD2-OG 3.43Å
56M73.8Confident70.2Confident32 Ų3295.2 Ų95.216%0.15849%0.49CS..  trans-91.511.5177-56.4-176.980.300112.9G54 F58 L59 Y63 L66G54-M56 PolarHBondContact O-N 3.16Å; M56-F58 PolarHBondContact O-N 3.26Å; M56-F58 VanDerWaalsContact O-N 3.09Å; M56-L59 HydrophobicContact CB-CD1 4.23Å; M56-L59 HydrophobicContact CE-CD1 3.7Å; M56-L59 WeakPolarHBondContact O-CB 3.49Å; M56-L59 PolarHBondContact O-N 2.93Å; M56-Y63 HydrophobicContact CB-CE1 4.08Å; M56-L66 HydrophobicContact CE-CD1 3.34Å; M56-L66 HydrophobicContact CE-CD2 4.11Å; M56-L66 HydrophobicContact CE-CG 4.36Å
57S75.7Confident70.3Confident68 Ų6893.3 Ų93.348%0.47650%0.496SS..G310 helixtrans-59.2-22.3-176.8-68.20000113.8D55 L59 Q60D55-S57 VanDerWaalsContact C-N 3.32Å; D55-S57 VanDerWaalsContact CG-OG 3.24Å; D55-S57 WeakPolarHBondContact OD1-CB 3.3Å; D55-S57 PolarHBondContact OD1-N 3.15Å; D55-S57 PolarHBondContact OD1-OG 3.18Å; D55-S57 VanDerWaalsContact OD2-CB 3.28Å; D55-S57 WeakPolarHBondContact OD2-CB 3.39Å; D55-S57 PolarHBondContact OD2-OG 3.43Å; S57-L59 PolarHBondContact O-N 3.12Å; S57-L59 VanDerWaalsContact O-N 3.17Å; S57-Q60 PolarHBondContact O-N 3.3Å
58F78.9Confident70Confident155 Ų15595.1 Ų95.168%0.6851%0.514SS*.G310 helixtrans-60.1-23.9173.272.2-91.8000113.2M56 Q60M56-F58 PolarHBondContact O-N 3.26Å; M56-F58 VanDerWaalsContact O-N 3.09Å; F58-Q60 PolarHBondContact O-N 2.83Å
59L79.5Confident69.6Low27 Ų2798.2 Ų98.214%0.14152%0.523CS..G310 helixtrans-73.8-12.9175-64.9170.9000112.4M56 S57 G61 K62 Y63 L66M56-L59 HydrophobicContact CB-CD1 4.23Å; M56-L59 HydrophobicContact CE-CD1 3.7Å; M56-L59 WeakPolarHBondContact O-CB 3.49Å; M56-L59 PolarHBondContact O-N 2.93Å; S57-L59 PolarHBondContact O-N 3.12Å; S57-L59 VanDerWaalsContact O-N 3.17Å; L59-G61 PolarHBondContact O-N 3.47Å; L59-G61 VanDerWaalsContact O-N 3.08Å; L59-K62 VanDerWaalsContact O-CB 3.27Å; L59-K62 WeakPolarHBondContact O-CB 3.18Å; L59-K62 PolarHBondContact O-N 2.84Å; L59-Y63 HydrophobicContact CB-CE1 4.47Å; L59-Y63 HydrophobicContact CD1-CD1 4.03Å; L59-Y63 HydrophobicContact CD1-CE1 4.37Å; L59-L66 HydrophobicContact CD1-CD1 3.77Å; L59-L66 HydrophobicContact CD1-CD2 3.77Å; L59-L66 HydrophobicContact CD1-CG 4Å
60Q75.8Confident69Low170 Ų17097.7 Ų97.779%0.79452%0.518SS*.THydrogen-bonded Turntrans49.238.1176.9-58.1175.58.300112.8S57 F58S57-Q60 PolarHBondContact O-N 3.3Å; F58-Q60 PolarHBondContact O-N 2.83Å
61G72.1Confident68.4Low46 Ų4693 Ų9347%0.47451%0.511SS..THydrogen-bonded Turntrans90.4-8.4-177.100000116L59 Y63L59-G61 PolarHBondContact O-N 3.47Å; L59-G61 VanDerWaalsContact O-N 3.08Å; G61-Y63 VanDerWaalsContact CA-CE2 3.48Å; G61-Y63 VanDerWaalsContact O-CD2 3.25Å; G61-Y63 WeakPolarHBondContact O-CD2 3.43Å; G61-Y63 PolarHBondContact O-N 3.11Å
62K72.2Confident67.4Low114 Ų11495.8 Ų95.850%0.49653%0.529SS..  trans-79.351.7179.4-61-161.9-77.8-170.10113.2L59 E64 L65L59-K62 VanDerWaalsContact O-CB 3.27Å; L59-K62 WeakPolarHBondContact O-CB 3.18Å; L59-K62 PolarHBondContact O-N 2.84Å; K62-E64 PolarHBondContact O-N 3.21Å; K62-L65 HydrophobicContact CB-CD1 4.15Å; K62-L65 HydrophobicContact CD-CD1 4.48Å
63Y73.2Confident66.3Low78 Ų78101.3 Ų101.331%0.30654%0.541SS..G310 helixtrans-76.1-13.2-180-52.5-74.9000113.2M56 L59 G61 L65 L66 K69M56-Y63 HydrophobicContact CB-CE1 4.08Å; L59-Y63 HydrophobicContact CB-CE1 4.47Å; L59-Y63 HydrophobicContact CD1-CD1 4.03Å; L59-Y63 HydrophobicContact CD1-CE1 4.37Å; G61-Y63 VanDerWaalsContact CA-CE2 3.48Å; G61-Y63 VanDerWaalsContact O-CD2 3.25Å; G61-Y63 WeakPolarHBondContact O-CD2 3.43Å; G61-Y63 PolarHBondContact O-N 3.11Å; Y63-L65 PolarHBondContact O-N 2.89Å; Y63-L66 HydrophobicContact CD1-CD1 4.04Å; Y63-L66 WeakPolarHBondContact O-CB 3.37Å; Y63-L66 PolarHBondContact O-N 3.24Å; Y63-K69 HydrophobicContact CG-CD 4.45Å; Y63-K69 WeakPolarHBondContact O-CB 3.45Å; Y63-K69 WeakPolarHBondContact O-CD 3.45Å
64E68.9Low65Low154 Ų154100.1 Ų100.172%0.7255%0.55SS*.G310 helixtrans-63.5-23.2173.764.8-167.6173.400113.3K62 L66K62-E64 PolarHBondContact O-N 3.21Å; E64-L66 PolarHBondContact O-N 3.06Å
65L73.7Confident63.9Low121 Ų121106.8 Ų106.863%0.63457%0.573SS**G310 helixtrans-80.4-8177.6-57.9179000112.5K62 Y63K62-L65 HydrophobicContact CB-CD1 4.15Å; K62-L65 HydrophobicContact CD-CD1 4.48Å; Y63-L65 PolarHBondContact O-N 2.89Å
66L71.8Confident62Low53 Ų53113.2 Ų113.228%0.27759%0.592SS.*SBendtrans-80.8128.9179.3-61.1171.9000110M56 L59 Y63 E64 G68 K69M56-L66 HydrophobicContact CE-CD1 3.34Å; M56-L66 HydrophobicContact CE-CD2 4.11Å; M56-L66 HydrophobicContact CE-CG 4.36Å; L59-L66 HydrophobicContact CD1-CD1 3.77Å; L59-L66 HydrophobicContact CD1-CD2 3.77Å; L59-L66 HydrophobicContact CD1-CG 4Å; Y63-L66 HydrophobicContact CD1-CD1 4.04Å; Y63-L66 WeakPolarHBondContact O-CB 3.37Å; Y63-L66 PolarHBondContact O-N 3.24Å; E64-L66 PolarHBondContact O-N 3.06Å; L66-G68 PolarHBondContact O-N 3.14Å; L66-K69 PolarHBondContact O-N 2.97Å
67P62.4Low60.2Low137 Ų137114.5 Ų114.589%0.8961%0.613SS**THydrogen-bonded Turntrans-54.1117.3171.9-23.132.7000110.2
68G56.7Low58.4Low78 Ų78118.5 Ų118.580%0.80463%0.629SS**THydrogen-bonded Turntrans106.9-0.417700000116.3L66 K70L66-G68 PolarHBondContact O-N 3.14Å; G68-K70 PolarHBondContact O-N 3Å
69K59.5Low56.6Low80 Ų80118.1 Ų118.135%0.34863%0.629SS.*  trans-89.782.2173.8-122.5-176.4173-161.10112.5Y63 L66Y63-K69 HydrophobicContact CG-CD 4.45Å; Y63-K69 WeakPolarHBondContact O-CB 3.45Å; Y63-K69 WeakPolarHBondContact O-CD 3.45Å; L66-K69 PolarHBondContact O-N 2.97Å
70K50Low54.8Low162 Ų162121.3 Ų121.370%0.70465%0.654SS**  trans-97.6115.8143.849-178.9177.9177.90106.3G68 V72G68-K70 PolarHBondContact O-N 3Å; K70-V72 HydrophobicContact CD-CG2 4.49Å; K70-V72 HydrophobicContact CG-CG2 4.22Å; K70-V72 PolarHBondContact O-N 3.04Å; K70-V72 VanDerWaalsContact O-N 3.17Å
71D49.3Very low53.3Low135 Ų135119.9 Ų119.972%0.72265%0.647SS**  trans-61.5116.6171.3-70.5-48000108
72V46.9Very low52.1Low94 Ų94128.1 Ų128.157%0.5767%0.665SS**  trans-127107.5173-178.10000106.7K70K70-V72 HydrophobicContact CD-CG2 4.49Å; K70-V72 HydrophobicContact CG-CG2 4.22Å; K70-V72 PolarHBondContact O-N 3.04Å; K70-V72 VanDerWaalsContact O-N 3.17Å
73H40.6Very low50.8Low195 Ų195130 Ų13090%0.90368%0.68SS**  trans-66.8122.6156.6-124.4-81.3000107.1
74A40.2Very low49.5Very low76 Ų76137.4 Ų137.463%0.62871%0.707SS**SBendtrans50.1100.5169.100000118.9
75H48.7Very low48.1Very low168 Ų168133.5 Ų133.578%0.77870%0.702SS**  37.2109.3128.9-77.2-87.9000119.1
76Y32.8Very low46.6Very low235 Ų235136.2 Ų136.292%0.92271%0.711SS**  171.2132.7110.4-97.9-82.4000109.1
77G36.2Very low45.5Very low58 Ų58139.5 Ų139.560%0.59874%0.738SS**  trans91.6101.1153.800000118.3
78N37.8Very low44.8Very low152 Ų152139.1 Ų139.181%0.81373%0.733SS**  50.3120.7120.3-60.3-30.9000117.7
79Q39.8Very low44.5Very low147 Ų147140.9 Ų140.969%0.68773%0.733SS**  cis-164.1144.517.9-86.2152.4-300104.8E81Q79-E81 HydrophobicContact CB-CG 3.96Å; Q79-E81 HydrophobicContact CG-CG 4.37Å; Q79-E81 PolarHBondContact OE1-OE1 3.06Å
80S43.1Very low43.5Very low95 Ų95144.8 Ų144.866%0.66476%0.758SS**  trans-121.492.2153.363.40000106.9Y82S80-Y82 VanDerWaalsContact C-N 3.3Å; S80-Y82 PolarHBondContact O-N 3.31Å
81E43.3Very low43.4Very low139 Ų139141.2 Ų141.265%0.6576%0.759SS**  trans-71.688.3176.9-50.3-156.616800109.2Q79Q79-E81 HydrophobicContact CB-CG 3.96Å; Q79-E81 HydrophobicContact CG-CG 4.37Å; Q79-E81 PolarHBondContact OE1-OE1 3.06Å
82Y47.4Very low43.2Very low220 Ų220139.9 Ų139.986%0.86376%0.76SS**  trans-108.655.1145.3-61-76.9000107.5S80S80-Y82 VanDerWaalsContact C-N 3.3Å; S80-Y82 PolarHBondContact O-N 3.31Å
83L44.3Very low43.5Very low152 Ų152145.1 Ų145.180%0.79678%0.775SS**  trans-109.2100.5171.7-69.6178.4000108.6
84R46.1Very low43.7Very low234 Ų234139.6 Ų139.688%0.88376%0.764SS**  32.1105.1129.7-175.7170.8-73.7-150.9-4.2115H86R84-H86 PolarHBondContact O-N 3.18Å
85A40.5Very low44.3Very low73 Ų73145.4 Ų145.460%0.60378%0.778SS**  trans-37.7117.6161.700000112.8
86H40.6Very low44.3Very low178 Ų178142.3 Ų142.382%0.82477%0.771SS**  trans45.797.3133.8-37.9-57.7000117.5R84R84-H86 PolarHBondContact O-N 3.18Å
87S50.6Low45.1Very low121 Ų121137.3 Ų137.385%0.84677%0.767SS**  trans-123.496.9141.2-102.50000107.5
88T45.7Very low45.5Very low130 Ų130138.8 Ų138.880%0.79877%0.768SS**SBend171112.612951.80000109.3
89S50.7Low46.2Very low115 Ų115137.1 Ų137.180%0.80477%0.766SS**  trans37.196.7144.361.80000118.9
90D38.4Very low47Very low161 Ų161135.6 Ų135.686%0.86177%0.766SS**  -153.3119.6120.4-151.3-5.7000109.7S92D90-S92 PolarHBondContact O-N 3.18Å
91A49.7Very low47.6Very low87 Ų87137.6 Ų137.672%0.71977%0.769SS**  trans-85.699.3-178.700000108.3
92S45Very low48.3Very low108 Ų108140.3 Ų140.376%0.75578%0.779SS**  trans-121.3119.1155.773.30000108.9D90 A94D90-S92 PolarHBondContact O-N 3.18Å; S92-A94 PolarHBondContact O-N 3.47Å; S92-A94 VanDerWaalsContact O-N 3.1Å
93F53.2Low48.7Very low203 Ų203137.8 Ų137.889%0.8978%0.78SS**  trans-61.5107.2-177.9-73.6-103.4000109.7
94A43.1Very low49.6Very low79 Ų79133.4 Ų133.465%0.65377%0.765SS**  trans-126.4101.5158.100000107.7S92 T96S92-A94 PolarHBondContact O-N 3.47Å; S92-A94 VanDerWaalsContact O-N 3.1Å; A94-T96 VanDerWaalsContact C-N 3.33Å; A94-T96 PolarHBondContact O-N 3.35Å
95E53.2Low50.3Low199 Ų199129.9 Ų129.993%0.9376%0.762SS**  trans-62.388.6173.2-175.7177.9-177.900109.5
96T48.6Very low51Low103 Ų103131.6 Ų131.663%0.63277%0.77SS**  trans-114.1123.9167.361.80000108.6A94 S98A94-T96 VanDerWaalsContact C-N 3.33Å; A94-T96 PolarHBondContact O-N 3.35Å; T96-S98 PolarHBondContact O-N 2.92Å
97P50.4Low51.7Low129 Ų129130.1 Ų130.184%0.83877%0.767SS**  trans-74.587.6-176.230.5-34.1000110.1
98S43.6Very low51.8Low90 Ų90130.3 Ų130.363%0.62977%0.766SS**  trans-62126.9168.8-60.80000109.3T96 V100T96-S98 PolarHBondContact O-N 2.92Å; S98-V100 PolarHBondContact O-N 3.36Å
99P53.5Low52.4Low117 Ų117130.6 Ų130.676%0.7677%0.768SS**THydrogen-bonded Turntrans-75.423.2-172.531-35.8000114.2
100V56.5Low52.6Low115 Ų115133 Ų13370%0.69777%0.77SS**THydrogen-bonded Turntrans-108.7-7.4-161.9-174.10000114.6S98S98-V100 PolarHBondContact O-N 3.36Å
101L56.2Low53.2Low136 Ų136129 Ų12971%0.71277%0.766SS**  trans-142.470.4178.7-65.6171.5000112.6N103 A104L101-N103 PolarHBondContact O-N 3.23Å; L101-A104 HydrophobicContact CB-CB 3.94Å; L101-A104 PolarHBondContact O-N 3.2Å
102K57.8Low53.3Low197 Ų197128.2 Ų128.286%0.85777%0.767SS**THydrogen-bonded Turntrans-70-10.1171.1-60.6-172.9-176.9-174.50113.9
103N55.9Low53.9Low166 Ų166129.6 Ų129.689%0.88878%0.777SS**THydrogen-bonded Turntrans-109.28.7179.7-83.9-17.8000113.9L101 I105L101-N103 PolarHBondContact O-N 3.23Å; N103-I105 PolarHBondContact O-N 3.22Å
104A61.3Low53.9Low60 Ų60128.3 Ų128.350%0.49677%0.773SS.*  trans-88.5106.2172.500000108.9L101 S106L101-A104 HydrophobicContact CB-CB 3.94Å; L101-A104 PolarHBondContact O-N 3.2Å; A104-S106 PolarHBondContact O-N 3.4Å
105I62.2Low54.7Low160 Ų160128.6 Ų128.682%0.82178%0.776SS**  trans-68.5111.5167-51.5170.4000105.9N103 L107N103-I105 PolarHBondContact O-N 3.22Å; I105-L107 PolarHBondContact O-N 3.42Å
106S54.3Low54.7Low109 Ų109126.8 Ų126.876%0.76277%0.772SS**PPolyproline II helixtrans-68.7124.9176.925.40000109.8A104A104-S106 PolarHBondContact O-N 3.4Å
107L56.7Low55Low147 Ų147128.2 Ų128.277%0.7778%0.78SS**PPolyproline II helixtrans-75.6145170-63.6176.4000109.4I105 T109I105-L107 PolarHBondContact O-N 3.42Å; L107-T109 PolarHBondContact O-N 3.32Å
108P52.1Low55.3Low125 Ų125128.7 Ų128.781%0.81278%0.775SS**PPolyproline II helixtrans-61.6123.5172.524.8-31.2000109.5I110P108-I110 PolarHBondContact O-N 3.08Å
109T57.4Low55.7Low137 Ų137129.7 Ų129.784%0.8478%0.78SS**  trans-81.2111.7176.7-62.30000108.5L107L107-T109 PolarHBondContact O-N 3.32Å
110I55.7Low55.8Low166 Ų166132.6 Ų132.685%0.85179%0.787SS**  trans-98.6122.9169.9-140161.2000108.1P108P108-I110 PolarHBondContact O-N 3.08Å
111G49.9Very low55.5Low76 Ų76134.8 Ų134.878%0.78479%0.794SS**  trans-74.8144.6-173.600000113.4
112G53.1Low55.3Low71 Ų71133.4 Ų133.473%0.73280%0.795SS**SBendtrans103.4130.7164.700000114.9Q114G112-Q114 PolarHBondContact O-N 3.46Å
113S58Low54.9Low137 Ų137129.3 Ų129.396%0.95879%0.791SS**  trans-66.493.8172.751.20000110.8
114Q53.1Low54.4Low176 Ų176126.4 Ų126.482%0.82278%0.78SS**  trans-115.5114.1165.9-164.2171.319.800108G112 L116G112-Q114 PolarHBondContact O-N 3.46Å; Q114-L116 PolarHBondContact O-N 3.13Å
115A59.3Low53.7Low85 Ų85129.3 Ų129.370%0.70279%0.791SS**  trans-59.2131.6173.700000109.2T117A115-T117 PolarHBondContact O-N 3.17Å
116L52.6Low53Low161 Ų161130.2 Ų130.284%0.84379%0.789SS**  trans-60.697.5177.7-63.8176.2000108.8Q114 L118Q114-L116 PolarHBondContact O-N 3.13Å; L116-L118 PolarHBondContact O-N 3.09Å; L116-L118 VanDerWaalsContact O-N 3.11Å
117T54.3Low52.7Low133 Ų133130.2 Ų130.282%0.81679%0.787SS**  trans-76.1100.5169.4-540000106A115A115-T117 PolarHBondContact O-N 3.17Å
118L57Low52.6Low139 Ų139129.6 Ų129.673%0.72879%0.789SS**  trans-64.8138.4178.4-64.9176.2000109.6L116 L120L116-L118 PolarHBondContact O-N 3.09Å; L116-L118 VanDerWaalsContact O-N 3.11Å; L118-L120 PolarHBondContact O-N 2.95Å
119P52.3Low52.2Low111 Ų111129.4 Ų129.472%0.72179%0.788SS**  trans-59.8127.3169.1-17.429.8000109.4I121P119-I121 PolarHBondContact O-N 3.18Å
120L55.4Low52Low177 Ų177126.9 Ų126.993%0.92778%0.781SS**  trans-6994.5173.1-161.980.6000108.2L118 S122L118-L120 PolarHBondContact O-N 2.95Å; L120-S122 PolarHBondContact O-N 3.12Å
121I51.3Low51.4Low162 Ų162126.3 Ų126.383%0.83178%0.779SS**  trans-68.8110.8171.639.1170.8000108.7P119 S123P119-I121 PolarHBondContact O-N 3.18Å; I121-S123 PolarHBondContact O-N 2.71Å
122S51.6Low51.5Low106 Ų106127.1 Ų127.174%0.74177%0.771SS**  trans-67.5124.6171.7-160.80000108.8L120 T124L120-S122 PolarHBondContact O-N 3.12Å; S122-T124 PolarHBondContact O-N 3.18Å
123S48.6Very low50.8Low111 Ų111130.2 Ų130.278%0.77677%0.77SS**  trans-72.295.1176.4-170.90000109.1I121 V125I121-S123 PolarHBondContact O-N 2.71Å; S123-V125 PolarHBondContact O-N 3.17Å
124T45.8Very low50Low105 Ų105130.8 Ų130.864%0.64476%0.758SS**  trans-85.6104.2167140.30000107.4S122 F126S122-T124 PolarHBondContact O-N 3.18Å; T124-F126 PolarHBondContact O-N 3.05Å
125V48.1Very low49.2Very low121 Ų121127.4 Ų127.473%0.73375%0.745SS**  trans-70.6113.8168.2172.70000107.3S123S123-V125 PolarHBondContact O-N 3.17Å
126F46.5Very low48.2Very low179 Ų179131.4 Ų131.479%0.78575%0.747SS**PPolyproline II helixtrans-79.9125.4164.9-89.9-86.8000108.9T124 V128T124-F126 PolarHBondContact O-N 3.05Å; F126-V128 PolarHBondContact O-N 3.4Å
127P48.3Very low47.3Very low109 Ų109132.4 Ų132.471%0.70875%0.75SS**PPolyproline II helixtrans-75.7126.2172.629.3-29.5000109.4P129P127-P129 WeakPolarHBondContact O-CD 3.25Å
128V53.8Low46.5Very low134 Ų134131.1 Ų131.181%0.81275%0.746SS**PPolyproline II helixtrans-71.1119.9162.4170.60000107.1F126 A130F126-V128 PolarHBondContact O-N 3.4Å; V128-A130 PolarHBondContact O-N 3.24Å
129P44.1Very low46.3Very low122 Ų122129.7 Ų129.779%0.79275%0.745SS**PPolyproline II helixtrans-73.5117.6169.228.5-28.2000108.4P127P127-P129 WeakPolarHBondContact O-CD 3.25Å
130A54.1Low45.4Very low83 Ų83130 Ų13069%0.68675%0.75SS**PPolyproline II helixtrans-74.2138.4159.400000108.5V128V128-A130 PolarHBondContact O-N 3.24Å
131D42.1Very low45Very low154 Ų154127 Ų12782%0.82474%0.741SS**  trans169.1164.5144.4-94.2-11000111.2
132P51.5Low45.1Very low94 Ų94124.4 Ų124.461%0.6174%0.735SS**  -143.5176.5-61.341.4-21.2000112
133L40.1Very low44.5Very low136 Ų136128.2 Ų128.271%0.71275%0.746SS**  trans70.7111.8143.8-72.6170000120.6
134E40.2Very low43.9Very low149 Ų149132.4 Ų132.470%0.69675%0.75SS**  95.9150114.7-56.9-83125.500110.8
135D36.1Very low43.9Very low104 Ų104131.4 Ų131.456%0.55675%0.753SS**  cis-163.3165.64.6-144.71.9000110.3
136F38.2Very low43.8Very low169 Ų169134.1 Ų134.174%0.74176%0.757SS**  trans-13.6137.6167.8-52.7-61.8000120.2
137M34.4Very low44.1Very low183 Ų183131.1 Ų131.190%0.90175%0.749SS**  -176.2119.996.6-130.4135.663.400112.5
138S38Very low44.5Very low106 Ų106130.8 Ų130.874%0.74175%0.747SS**  trans-72.9-177.6150.8-147.30000108.5
139P52.3Low44.8Very low109 Ų109129.9 Ų129.971%0.70874%0.738SS**  cis-138.1169.3-1.339.9-21.3000115
140S32.1Very low45.1Very low118 Ų118130 Ų13083%0.82573%0.728SS**  trans-156.6113.215164.10000113.5
141P48.3Very low45.2Very low113 Ų113132 Ų13273%0.73473%0.726SS**  trans-107.8-176.2147.938.8-27.7000109.4
142P53.3Low46.1Very low108 Ų108131.6 Ų131.670%0.70172%0.719SS**  cis-119156.2-24.135.1-20.6000111
143L37.7Very low46.4Very low185 Ų185132.6 Ų132.697%0.96972%0.717SS**  trans-120.5138.5160-73.5178.4000110.8
144K37.6Very low47.3Very low199 Ų199131.6 Ų131.687%0.86571%0.712SS**  trans-112.8130-154.5-171179-173.4-178.40107.4
145A45.8Very low48.5Very low85 Ų85130.7 Ų130.770%0.70271%0.708SS**  trans74.5142.9149.300000120.5
146E46.2Very low49.9Very low177 Ų177131.3 Ų131.383%0.82771%0.709SS**  trans86.978.7151.9-55.7-135.9130.900117.7
147N51.1Low51.3Low116 Ų116127.3 Ų127.362%0.6270%0.695SS**  trans-153.5127.4135.1-92.7-62.7000110.1D149N147-D149 PolarHBondContact O-N 3.38Å
148P58.3Low53.1Low102 Ų102120.8 Ų120.866%0.66267%0.67SS**THydrogen-bonded Turntrans-68.4-10.1-179.326.1-32.1000114.3
149D58.6Low54.7Low116 Ų116121 Ų12162%0.6266%0.663SS**THydrogen-bonded Turntrans-83.4-17.6-177-63.7-21.1000113.8N147N147-D149 PolarHBondContact O-N 3.38Å
150E52.1Low55.5Low125 Ų125120.2 Ų120.258%0.58465%0.652SS**Hα-helixtrans-80.1-21.3178.9-72.7-164.8166.300113.4E152 L154E150-E152 VanDerWaalsContact C-N 3.3Å; E150-E152 PolarHBondContact O-N 3.29Å; E150-L154 WeakPolarHBondContact O-CG 3.32Å; E150-L154 PolarHBondContact O-N 3.48Å
151L55.4Low57.2Low125 Ų125122 Ų12265%0.65464%0.641SS**Hα-helixtrans-67.4-32.8175.4-82.591.6000111.7Q155L151-Q155 WeakPolarHBondContact O-CB 3.27Å; L151-Q155 PolarHBondContact O-N 3.45Å
152E60.6Low58.2Low145 Ų145120.2 Ų120.268%0.67863%0.631SS**Hα-helixtrans-73.2-39.5179.7-70.8-166.9159.400112.6E150 Q155 M156E150-E152 VanDerWaalsContact C-N 3.3Å; E150-E152 PolarHBondContact O-N 3.29Å; E152-Q155 PolarHBondContact O-N 3.36Å; E152-M156 PolarHBondContact O-N 3.33Å
153M57.1Low59Low115 Ų115120 Ų12057%0.56762%0.623SS**Hα-helixtrans-66.2-45.5175.4-76.2-163-46.700111.8Q155 M156 D157M153-Q155 VanDerWaalsContact C-N 3.25Å; M153-Q155 PolarHBondContact O-N 3.05Å; M153-M156 PolarHBondContact O-N 3.29Å; M153-D157 PolarHBondContact O-N 3.01Å
154L60.2Low60.2Low114 Ų114115.3 Ų115.360%0.59760%0.599SS**Hα-helixtrans-65-32.4178-69.4172.9000111.9E150 A158E150-L154 WeakPolarHBondContact O-CG 3.32Å; E150-L154 PolarHBondContact O-N 3.48Å; L154-A158 VanDerWaalsContact O-CB 3.32Å; L154-A158 WeakPolarHBondContact O-CB 3.2Å; L154-A158 PolarHBondContact O-N 2.97Å
155Q64.8Low61.2Low131 Ų131111.1 Ų111.161%0.61259%0.585SS**Hα-helixtrans-71.8-36.5175.8-171.2159.123.900112.3L151 E152 M153 L159L151-Q155 WeakPolarHBondContact O-CB 3.27Å; L151-Q155 PolarHBondContact O-N 3.45Å; E152-Q155 PolarHBondContact O-N 3.36Å; M153-Q155 VanDerWaalsContact C-N 3.25Å; M153-Q155 PolarHBondContact O-N 3.05Å; Q155-L159 WeakPolarHBondContact O-CG 3.37Å; Q155-L159 PolarHBondContact O-N 3.06Å; Q155-L159 VanDerWaalsContact O-N 3.15Å
156M65.9Low61.8Low116 Ų116111 Ų11157%0.57158%0.58SS**Hα-helixtrans-68-40.8174.2-168.8170.671.300111.8E152 M153 L159 L160E152-M156 PolarHBondContact O-N 3.33Å; M153-M156 PolarHBondContact O-N 3.29Å; M156-L159 PolarHBondContact O-N 3.18Å; M156-L160 HydrophobicContact CG-CD1 4.27Å; M156-L160 PolarHBondContact O-N 3.35Å
157D67.1Low62.2Low85 Ų85107.3 Ų107.346%0.45557%0.565SS.*Hα-helixtrans-71-30.7178.3-71.4-19.3000112.8M153 R161M153-D157 PolarHBondContact O-N 3.01Å; D157-R161 PolarHBondContact O-N 2.86Å; D157-R161 VanDerWaalsContact O-N 3.16Å; D157-R161 PolarHBondContact O-NH1 3.12Å
158A72.7Confident62.4Low46 Ų46111.4 Ų111.438%0.3857%0.572SS.*Hα-helixtrans-67.3-38.4170.700000112.7L154 S162L154-A158 VanDerWaalsContact O-CB 3.32Å; L154-A158 WeakPolarHBondContact O-CB 3.2Å; L154-A158 PolarHBondContact O-N 2.97Å; A158-S162 WeakPolarHBondContact O-CB 3.38Å; A158-S162 PolarHBondContact O-N 3.22Å
159L71Confident61.9Low111 Ų111115.6 Ų115.658%0.58158%0.579SS**Hα-helixtrans-71.6-39.3175.8-72.9-179.1000112.6Q155 M156 S162 I163Q155-L159 WeakPolarHBondContact O-CG 3.37Å; Q155-L159 PolarHBondContact O-N 3.06Å; Q155-L159 VanDerWaalsContact O-N 3.15Å; M156-L159 PolarHBondContact O-N 3.18Å; L159-S162 WeakPolarHBondContact O-CB 3.29Å; L159-S162 PolarHBondContact O-N 2.81Å; L159-I163 WeakPolarHBondContact O-CG1 3.13Å; L159-I163 PolarHBondContact O-N 3.17Å
160L70.2Confident61.3Low92 Ų92113.8 Ų113.848%0.48258%0.581SS.*Hα-helixtrans-60.3-47.2175.1-99.1146.9000111.9M156 S162 I163 D164M156-L160 HydrophobicContact CG-CD1 4.27Å; M156-L160 PolarHBondContact O-N 3.35Å; L160-S162 VanDerWaalsContact C-N 3.34Å; L160-S162 PolarHBondContact O-N 3.08Å; L160-I163 PolarHBondContact O-N 2.97Å; L160-D164 PolarHBondContact O-N 3.23Å
161R68.1Low61.2Low156 Ų156114.3 Ų114.359%0.58959%0.587SS**Hα-helixtrans-62.3-37.6176.1-100.1164.339.1-104.8-1.5113.5D157 I163 D164 D165D157-R161 PolarHBondContact O-N 2.86Å; D157-R161 VanDerWaalsContact O-N 3.16Å; D157-R161 PolarHBondContact O-NH1 3.12Å; R161-I163 VanDerWaalsContact C-N 3.3Å; R161-I163 PolarHBondContact O-N 3.02Å; R161-D164 PolarHBondContact O-N 3.12Å; R161-D165 PolarHBondContact O-N 3.31Å; R161-D165 VanDerWaalsContact O-N 3.08Å
162S68.8Low60.8Low75 Ų75111.5 Ų111.552%0.52459%0.589SS.*Hα-helixtrans-62.3-36.4176.8-178.20000112.6A158 L159 L160 S166A158-S162 WeakPolarHBondContact O-CB 3.38Å; A158-S162 PolarHBondContact O-N 3.22Å; L159-S162 WeakPolarHBondContact O-CB 3.29Å; L159-S162 PolarHBondContact O-N 2.81Å; L160-S162 VanDerWaalsContact C-N 3.34Å; L160-S162 PolarHBondContact O-N 3.08Å; S162-S166 PolarHBondContact O-N 3.43Å; S162-S166 VanDerWaalsContact O-N 3.17Å
163I69.8Low59.6Low105 Ų105109.4 Ų109.454%0.53859%0.59SS.*Hα-helixtrans-71.1-40.8178.4-66.3165.2000111.1L159 L160 R161 S166 L167L159-I163 WeakPolarHBondContact O-CG1 3.13Å; L159-I163 PolarHBondContact O-N 3.17Å; L160-I163 PolarHBondContact O-N 2.97Å; R161-I163 VanDerWaalsContact C-N 3.3Å; R161-I163 PolarHBondContact O-N 3.02Å; I163-S166 WeakPolarHBondContact O-CB 3.28Å; I163-S166 PolarHBondContact O-N 3.17Å; I163-L167 HydrophobicContact CG2-CD1 4.29Å; I163-L167 PolarHBondContact O-N 2.71Å
164D62.9Low58.8Low86 Ų86110.9 Ų110.946%0.4660%0.6SS.*Hα-helixtrans-65.7-38.9177.3-80.1-44.9000112.6L160 R161 S166 L167 R168L160-D164 PolarHBondContact O-N 3.23Å; R161-D164 PolarHBondContact O-N 3.12Å; D164-S166 VanDerWaalsContact C-N 3.29Å; D164-S166 PolarHBondContact O-N 3.42Å; D164-L167 PolarHBondContact O-N 2.96Å; D164-R168 WeakPolarHBondContact O-CG 2.96Å; D164-R168 PolarHBondContact O-N 2.86Å; D164-R168 VanDerWaalsContact O-N 3.13Å
165D59.3Low57.7Low110 Ų110111.5 Ų111.559%0.58860%0.604SS**Hα-helixtrans-66.3-32.7174.5-77.2-25.2000112R161 K169R161-D165 PolarHBondContact O-N 3.31Å; R161-D165 VanDerWaalsContact O-N 3.08Å; D165-K169 PolarHBondContact O-N 2.91Å
166S58.1Low56.5Low83 Ų83109.3 Ų109.358%0.5860%0.603SS**Hα-helixtrans-70.1-39.9175.8-155.40000112.5S162 I163 D164 K169 A170S162-S166 PolarHBondContact O-N 3.43Å; S162-S166 VanDerWaalsContact O-N 3.17Å; I163-S166 WeakPolarHBondContact O-CB 3.28Å; I163-S166 PolarHBondContact O-N 3.17Å; D164-S166 VanDerWaalsContact C-N 3.29Å; D164-S166 PolarHBondContact O-N 3.42Å; S166-K169 PolarHBondContact O-N 3.4Å; S166-A170 PolarHBondContact O-N 3.24Å
167L54.8Low55.1Low100 Ų100111.1 Ų111.152%0.52462%0.615SS.*Hα-helixtrans-69.1-33177.5-89.4160.9000113.2I163 D164 N171I163-L167 HydrophobicContact CG2-CD1 4.29Å; I163-L167 PolarHBondContact O-N 2.71Å; D164-L167 PolarHBondContact O-N 2.96Å; L167-N171 PolarHBondContact O-ND2 3.09Å
168R55.1Low53.5Low202 Ų202111.6 Ų111.676%0.76263%0.63SS**Hα-helixtrans-72.8-31.2175.7-71.9175.3-179.1-88.8-0.5112.4D164D164-R168 WeakPolarHBondContact O-CG 2.96Å; D164-R168 PolarHBondContact O-N 2.86Å; D164-R168 VanDerWaalsContact O-N 3.13Å
169K47.3Very low51.8Low189 Ų189114.2 Ų114.282%0.82265%0.646SS**Hα-helixtrans-80.1-17.1-179.1-160.4162.8-177.9178.40114.1D165 S166D165-K169 PolarHBondContact O-N 2.91Å; S166-K169 PolarHBondContact O-N 3.4Å
170A46.9Very low50.7Low78 Ų78113.3 Ų113.365%0.64565%0.649SS**Hα-helixtrans-86.5-15.7178.500000114.6S166S166-A170 PolarHBondContact O-N 3.24Å
171N49.8Very low49Very low136 Ų136117 Ų11773%0.72767%0.669SS**SBendtrans-107.738-175-61.7-37.1000112.8L167L167-N171 PolarHBondContact O-ND2 3.09Å
172G46Very low47.7Very low67 Ų67116.8 Ų116.869%0.69168%0.678SS**  trans-125.271.1179.800000111.9
173S35Very low46.2Very low100 Ų100124.3 Ų124.370%0.69970%0.697SS**  trans-162.6111.6159.3-162.80000110.7
174L41Very low44.5Very low147 Ų147126 Ų12677%0.7771%0.707SS**  trans41.6136.5134-56.4174.4000117.3
175N36.6Very low43.2Very low127 Ų127126.9 Ų126.968%0.67972%0.72SS**  cis170.7149.117.940.20.4000107.9
176S39.3Very low42.2Very low85 Ų85130.5 Ų130.559%0.59473%0.731SS**  trans59.8125.8139.471.30000122.8
177N36.9Very low41.1Very low154 Ų154133.8 Ų133.882%0.82474%0.741SS**  trans89.6116.7131-59.1-11.1000120.6
178A34.3Very low40.4Very low94 Ų94136.2 Ų136.278%0.77776%0.755SS**  76.612611900000120.8
179S36.8Very low39.4Very low101 Ų101134.7 Ų134.771%0.70675%0.754SS**  trans88.1117.4130.2-146.20000119.8
180S47.7Very low39Very low92 Ų92133.5 Ų133.564%0.64375%0.753SS**  trans43.1113.2135.864.90000119
181D34.1Very low38.4Very low171 Ų171136.6 Ų136.691%0.91476%0.759SS**  trans-121.9114.6156.7-73.5-44000111.6
182I41Very low37.7Very low151 Ų151139.7 Ų139.777%0.77477%0.766SS**  trans-78.9152.3169.3-75.1176.5000108.7
183Y38Very low37.1Very low232 Ų232145.4 Ų145.491%0.9178%0.775SS**  trans-21.7129.2172-84-97.5000117.5
184D32.6Very low37Very low142 Ų142147.3 Ų147.376%0.75978%0.777SS**  trans-92.9133.9165.8-160.28.4000110.7
185S36Very low36.8Very low104 Ų104148.2 Ų148.273%0.72778%0.782SS**  trans-107.5119.5-172.6177.70000108.6D187S185-D187 PolarHBondContact O-N 3.32Å
186F38.4Very low36.8Very low186 Ų186148.9 Ų148.982%0.81679%0.785SS**  trans-82115.7169.8-77.6-76.6000111N188F186-N188 PolarHBondContact O-N 2.85Å
187D35.6Very low36.5Very low151 Ų151151.1 Ų151.181%0.80780%0.795SS**  trans-51.1121.7169.1-125.9-27.1000111.9S185S185-D187 PolarHBondContact O-N 3.32Å
188N39.2Very low36.2Very low152 Ų152152.6 Ų152.681%0.81379%0.794SS**  trans-133.199.3157.8-81.9-72.4000108.7F186 M190F186-N188 PolarHBondContact O-N 2.85Å; N188-M190 PolarHBondContact O-N 3.1Å
189K35.8Very low36.3Very low169 Ų169154.7 Ų154.774%0.73579%0.792SS**  trans-67.7108.2170.1179.4175.5-179.3175.20109.9
190M38.4Very low36.1Very low164 Ų164160.1 Ų160.181%0.80880%0.797SS**  trans-137.8122.9157.4-76.7-62.916500108.7N188N188-M190 PolarHBondContact O-N 3.1Å
191D33.7Very low35.3Very low144 Ų144160.4 Ų160.477%0.7779%0.792SS**  trans-68.4126.2-173.1-62.2-56.2000112
192F36.1Very low35.6Very low200 Ų200155.6 Ų155.688%0.87778%0.782SS**  trans-108.8116.1167.1-82-83.2000110
193Q32.3Very low35.4Very low188 Ų188157.8 Ų157.888%0.87978%0.782SS**  trans-87.6118.7158.1-67.6-169.519.600108.8
194N33.8Very low35.5Very low139 Ų139154.2 Ų154.274%0.74377%0.771SS**  trans28.4127.9152.8-76.3-53.5000120.8
195I36.1Very low35.4Very low167 Ų167156.4 Ų156.486%0.85678%0.775SS**  -169.8117.4109.7-90.9152000108.6
196D36.9Very low35.2Very low141 Ų141158.2 Ų158.275%0.75477%0.772SS**  trans-65.4153.2162.8-71.6-52.1000111
197V32.2Very low35Very low131 Ų131157 Ų15779%0.79477%0.773SS**  trans168.6115.6133.1158.60000112.3
198F32Very low34.7Very low185 Ų185154.9 Ų154.981%0.81177%0.77SS**  trans62.8103.7145-88-102.1000123.9
199N36.1Very low34.7Very low139 Ų139157 Ų15774%0.74377%0.771SS**  10123.1117-166.9-3.1000118.4
200R31.2Very low34.3Very low215 Ų215157.9 Ų157.981%0.81178%0.779SS**  trans-168.8132.4132.4-108.5-166-140.6-153.23.9114.4
201N32.1Very low33.9Very low98 Ų98159 Ų15952%0.52478%0.779SS.*  trans91.892.9142-57.9-8.3000119Y203N201-Y203 HydrophobicContact CB-CE2 3.7Å; N201-Y203 VanDerWaalsContact CG-OH 3.27Å; N201-Y203 PolarHBondContact ND2-OH 2.83Å
202G39.9Very low34Very low69 Ų69157.7 Ų157.771%0.71178%0.781SS**  trans-89146.6152.600000111.5
203Y38.1Very low33.4Very low198 Ų198152 Ų15278%0.77678%0.778SS**  trans-143.2135.4161.7-53-71.8000109.8N201N201-Y203 HydrophobicContact CB-CE2 3.7Å; N201-Y203 VanDerWaalsContact CG-OH 3.27Å; N201-Y203 PolarHBondContact ND2-OH 2.83Å
204F38.8Very low33.8Very low156 Ų156148 Ų14868%0.68477%0.771SS**  trans-110.5143.9-178.2163.3-85.3000107.7E206F204-E206 HydrophobicContact CD1-CB 4.44Å; F204-E206 HydrophobicContact CE1-CB 3.71Å; F204-E206 HydrophobicContact CE1-CG 4.46Å; F204-E206 VanDerWaalsContact CE1-OE2 3.32Å; F204-E206 WeakPolarHBondContact CE1-OE2 3.37Å; F204-E206 HydrophobicContact CZ-CB 4.04Å
205F31.7Very low34Very low189 Ų189149.7 Ų149.783%0.82978%0.775SS**  trans-173.4104.9157.3-124.4-89.6000107.4
206E31.3Very low33.9Very low141 Ų141148.2 Ų148.266%0.65977%0.768SS**  66.5120.668.2-159.1157.3-154.500114.5F204F204-E206 HydrophobicContact CD1-CB 4.44Å; F204-E206 HydrophobicContact CE1-CB 3.71Å; F204-E206 HydrophobicContact CE1-CG 4.46Å; F204-E206 VanDerWaalsContact CE1-OE2 3.32Å; F204-E206 WeakPolarHBondContact CE1-OE2 3.37Å; F204-E206 HydrophobicContact CZ-CB 4.04Å
207L34Very low34.1Very low162 Ų162146.2 Ų146.285%0.84877%0.766SS**  trans-92.3138.2-165.9-170.885.4000110.1
208S29.8Very low34.7Very low105 Ų105146.1 Ų146.173%0.73476%0.76SS**  trans-131.8138.4164.8-38.40000110.6
209K37.6Very low35.3Very low196 Ų196143.5 Ų143.585%0.85277%0.765SS**  trans-118.8132-168.5176.4-172.9-171.1179.30106.9
210E27.9Very low36Very low189 Ų189143.2 Ų143.288%0.88376%0.759SS**  trans-156.2156.6165.540.3-158.5142.300113.4
211K31.2Very low36.8Very low188 Ų188139.6 Ų139.682%0.81775%0.754SS**  trans-136.9157.5-143.1158173.7177.1177.70109.5
212S34.3Very low37.5Very low116 Ų116141.3 Ų141.381%0.81177%0.769SS**  trans84141.1152.864.60000120.8
213G25Very low37.5Very low80 Ų80141.8 Ų141.883%0.82577%0.773SS**  trans164.191.3162.900000112.4
214S39.3Very low37.6Very low103 Ų103137 Ų13772%0.7277%0.768SS**  trans-68153.2173.549.30000113.6
215Q37.8Very low38.2Very low176 Ų176138 Ų13882%0.82278%0.78SS**  trans174.5100.2133.9-74.7-119.2-15.200107.2
216D34.8Very low39Very low135 Ų135136.6 Ų136.672%0.72278%0.78SS**  77.9119.487.3-78.5-33.1000115.4
217S41.1Very low39.8Very low100 Ų100134.9 Ų134.970%0.69978%0.784SS**  trans76.1105149.755.10000120.9
218L44.2Very low40.6Very low128 Ų128133.6 Ų133.667%0.6778%0.777SS**  6554.7127.7-49.8-175.2000118.4Q220L218-Q220 HydrophobicContact CD2-CB 4.18Å; L218-Q220 HydrophobicContact CD2-CG 3.63Å; L218-Q220 PolarHBondContact O-N 2.89Å
219S45.5Very low41.9Very low131 Ų131137.6 Ų137.692%0.91678%0.784SS**  trans-83.426.6139.347.10000111.4
220Q50.6Low42.9Very low132 Ų132134.1 Ų134.162%0.61777%0.774SS**  trans-56.2149.3168.5-75.1-175.912.200109.8L218L218-Q220 HydrophobicContact CD2-CB 4.18Å; L218-Q220 HydrophobicContact CD2-CG 3.63Å; L218-Q220 PolarHBondContact O-N 2.89Å
221I48.4Very low44.5Very low139 Ų139132.2 Ų132.271%0.71377%0.77SS**SBendtrans85.678.7165.4-49.1139.1000112.4
222T46.6Very low45.9Very low135 Ų135128.2 Ų128.283%0.82876%0.757SS**SBendtrans57.495.4141.667.10000116.2
223G40.2Very low47.2Very low78 Ų78123.9 Ų123.980%0.80473%0.731SS**  trans-172.7-33.3171.800000122.6
224S39.6Very low49Very low97 Ų97125.9 Ų125.968%0.67873%0.729SS**  trans-143.398.3-178.5-780000111.8L226S224-L226 PolarHBondContact O-N 2.9Å; S224-L226 VanDerWaalsContact O-N 3.09Å
225L50.8Low50Low178 Ų178125 Ų12593%0.93272%0.723SS**THydrogen-bonded Turntrans-67.91.9178.8-81.1171.9000114.9
226L48.3Very low51.9Low160 Ų160119.8 Ų119.884%0.83870%0.7SS**THydrogen-bonded Turntrans-145.726-170.9-62.8176.3000114.2S224 L228S224-L226 PolarHBondContact O-N 2.9Å; S224-L226 VanDerWaalsContact O-N 3.09Å; L226-L228 PolarHBondContact O-N 3.19Å
227S49Very low53.8Low104 Ų104118.2 Ų118.273%0.72769%0.691SS**  trans-85.669.1168.1-69.40000109.5E229S227-E229 PolarHBondContact O-N 2.56Å
228L50.1Low55.4Low135 Ų135119 Ų11971%0.70769%0.687SS**  trans-80.697.6165.9-132.1133.3000106L226 L230L226-L228 PolarHBondContact O-N 3.19Å; L228-L230 VanDerWaalsContact C-N 3.29Å; L228-L230 HydrophobicContact CD2-CD2 3.36Å; L228-L230 HydrophobicContact CD2-CG 3.71Å; L228-L230 PolarHBondContact O-N 2.94Å
229E58.4Low57.2Low190 Ų190117 Ų11789%0.88868%0.678SS**  trans-70.693.7168.3-170.3167.7-171.400107.2S227 D231S227-E229 PolarHBondContact O-N 2.56Å; E229-D231 VanDerWaalsContact C-N 3.34Å; E229-D231 PolarHBondContact O-N 3.41Å; E229-D231 VanDerWaalsContact O-N 3.12Å
230L58.8Low58.9Low122 Ų122114 Ų11464%0.63965%0.654SS**  trans-79.584.6176.1-75.1171000108.3L228 L232L228-L230 VanDerWaalsContact C-N 3.29Å; L228-L230 HydrophobicContact CD2-CD2 3.36Å; L228-L230 HydrophobicContact CD2-CG 3.71Å; L228-L230 PolarHBondContact O-N 2.94Å; L230-L232 VanDerWaalsContact C-N 3.31Å; L230-L232 HydrophobicContact CB-CG 4.44Å; L230-L232 PolarHBondContact O-N 3.33Å
231D59.7Low60.2Low150 Ų150112.2 Ų112.280%0.80265%0.648SS**  trans-73.895.7164.7-172.511.8000108.7E229 G233E229-D231 VanDerWaalsContact C-N 3.34Å; E229-D231 PolarHBondContact O-N 3.41Å; E229-D231 VanDerWaalsContact O-N 3.12Å; D231-G233 PolarHBondContact O-N 3.26Å; D231-G233 PolarHBondContact OD1-N 3.08Å; D231-G233 VanDerWaalsContact OD1-N 3.12Å
232L62Low61.7Low104 Ų104109.8 Ų109.855%0.54564%0.636SS.*  trans-73.6-14.8-177.9-86.7178.8000111.7L230 I236L230-L232 VanDerWaalsContact C-N 3.31Å; L230-L232 HydrophobicContact CB-CG 4.44Å; L230-L232 PolarHBondContact O-N 3.33Å; L232-I236 HydrophobicContact CB-CG2 3.39Å; L232-I236 HydrophobicContact CD1-CG2 4.36Å; L232-I236 HydrophobicContact CD2-CG1 4.28Å; L232-I236 HydrophobicContact CD2-CG2 3.82Å; L232-I236 HydrophobicContact CG-CG2 4Å; L232-I236 WeakPolarHBondContact O-CB 3.32Å; L232-I236 WeakPolarHBondContact O-CG2 3.24Å
233G61.1Low63.4Low25 Ų25108.9 Ų108.926%0.25863%0.625SS.*Hα-helixtrans59.4161.6-178.400000113.3D231 S235D231-G233 PolarHBondContact O-N 3.26Å; D231-G233 PolarHBondContact OD1-N 3.08Å; D231-G233 VanDerWaalsContact OD1-N 3.12Å; G233-S235 PolarHBondContact O-N 3.08Å; G233-S235 VanDerWaalsContact O-N 3.1Å
234P62.2Low65.1Low121 Ų121112 Ų11279%0.78662%0.62SS**Hα-helixtrans-63.3-19.5179.923.6-31.6000113.1
235S61.8Low66.8Low86 Ų86113.5 Ų113.560%0.60162%0.621SS**Hα-helixtrans-73.8-35.6-175.2-166.40000114.2G233 D239G233-S235 PolarHBondContact O-N 3.08Å; G233-S235 VanDerWaalsContact O-N 3.1Å; S235-D239 PolarHBondContact O-N 3.22Å
236I76.7Confident68Low65 Ų65110.7 Ų110.733%0.33360%0.601SS.*Hα-helixtrans-76.4-27.9179.9-163.175.5000111.8L232 D238 D239 V240L232-I236 HydrophobicContact CB-CG2 3.39Å; L232-I236 HydrophobicContact CD1-CG2 4.36Å; L232-I236 HydrophobicContact CD2-CG1 4.28Å; L232-I236 HydrophobicContact CD2-CG2 3.82Å; L232-I236 HydrophobicContact CG-CG2 4Å; L232-I236 WeakPolarHBondContact O-CB 3.32Å; L232-I236 WeakPolarHBondContact O-CG2 3.24Å; I236-D238 VanDerWaalsContact C-N 3.3Å; I236-D239 PolarHBondContact O-N 2.89Å; I236-V240 HydrophobicContact CG1-CG2 4.48Å; I236-V240 WeakPolarHBondContact O-CB 3.46Å; I236-V240 VanDerWaalsContact O-CG2 3.24Å; I236-V240 WeakPolarHBondContact O-CG2 3.47Å; I236-V240 PolarHBondContact O-N 3.11Å
237L75.4Confident69.2Low103 Ų103109 Ų10954%0.53960%0.6SS.*Hα-helixtrans-66.1-37.9176-68.2179.1000110.6V240 L241L237-V240 PolarHBondContact O-N 3.17Å; L237-L241 WeakPolarHBondContact O-CB 3.37Å; L237-L241 WeakPolarHBondContact O-CG 3.26Å; L237-L241 PolarHBondContact O-N 3.41Å
238D74.9Confident69.9Low115 Ų115112.4 Ų112.462%0.61563%0.634SS**Hα-helixtrans-65.6-42.6176.2-150.137.6000111.4I236 N242I236-D238 VanDerWaalsContact C-N 3.3Å; D238-N242 VanDerWaalsContact O-CB 3.23Å; D238-N242 WeakPolarHBondContact O-CB 3.45Å; D238-N242 PolarHBondContact O-N 3.34Å
239D80.3Confident70.9Confident87 Ų87111.3 Ų111.347%0.46563%0.631SS.*Hα-helixtrans-62.8-42.5174.5-75.4-22.5000112.4S235 I236 I243S235-D239 PolarHBondContact O-N 3.22Å; I236-D239 PolarHBondContact O-N 2.89Å; D239-I243 WeakPolarHBondContact O-CD1 3.27Å; D239-I243 VanDerWaalsContact O-CG1 3.26Å; D239-I243 WeakPolarHBondContact O-CG1 3.23Å; D239-I243 PolarHBondContact O-N 3.45Å
240V82.8Confident71.5Confident69 Ų69107.1 Ų107.142%0.41862%0.617SS.*Hα-helixtrans-68.6-43.9178.6170.20000111.6I236 L237 I243 M244I236-V240 HydrophobicContact CG1-CG2 4.48Å; I236-V240 WeakPolarHBondContact O-CB 3.46Å; I236-V240 VanDerWaalsContact O-CG2 3.24Å; I236-V240 WeakPolarHBondContact O-CG2 3.47Å; I236-V240 PolarHBondContact O-N 3.11Å; L237-V240 PolarHBondContact O-N 3.17Å; V240-I243 WeakPolarHBondContact O-CB 3.19Å; V240-I243 PolarHBondContact O-N 2.96Å; V240-I243 VanDerWaalsContact O-N 3.11Å; V240-M244 HydrophobicContact CG1-SD 4.32Å; V240-M244 PolarHBondContact O-N 3.38Å; V240-M244 VanDerWaalsContact O-N 3.08Å
241L77.6Confident72.3Confident93 Ų93106.3 Ų106.349%0.48762%0.616SS.*Hα-helixtrans-62.6-43.1176.8-73.3168.9000111.2L237 I243 M244 D245L237-L241 WeakPolarHBondContact O-CB 3.37Å; L237-L241 WeakPolarHBondContact O-CG 3.26Å; L237-L241 PolarHBondContact O-N 3.41Å; L241-I243 PolarHBondContact O-N 3.42Å; L241-I243 VanDerWaalsContact O-N 3.17Å; L241-M244 PolarHBondContact O-N 2.95Å; L241-M244 VanDerWaalsContact O-N 3.08Å; L241-D245 PolarHBondContact O-N 3.43Å
242N79Confident73Confident88 Ų88103.7 Ų103.747%0.47161%0.605SS.*Hα-helixtrans-65.2-17.3175.4-175.838000113.6D238 K246D238-N242 VanDerWaalsContact O-CB 3.23Å; D238-N242 WeakPolarHBondContact O-CB 3.45Å; D238-N242 PolarHBondContact O-N 3.34Å; N242-K246 PolarHBondContact ND2-NZ 3.36Å; N242-K246 VanDerWaalsContact ND2-NZ 3.18Å; N242-K246 VanDerWaalsContact O-CD 3.27Å; N242-K246 WeakPolarHBondContact O-CD 3.18Å; N242-K246 WeakPolarHBondContact O-CE 3.33Å; N242-K246 WeakPolarHBondContact O-CG 3.15Å; N242-K246 PolarHBondContact O-NZ 3.47Å; N242-K246 PolarHBondContact OD1-NZ 3.31Å
243I82.4Confident73.7Confident116 Ų116103.7 Ų103.760%0.59561%0.609SS**Hα-helixtrans-83.9-40.9171.5-69.1161.7000110.3D239 V240 L241D239-I243 WeakPolarHBondContact O-CD1 3.27Å; D239-I243 VanDerWaalsContact O-CG1 3.26Å; D239-I243 WeakPolarHBondContact O-CG1 3.23Å; D239-I243 PolarHBondContact O-N 3.45Å; V240-I243 WeakPolarHBondContact O-CB 3.19Å; V240-I243 PolarHBondContact O-N 2.96Å; V240-I243 VanDerWaalsContact O-N 3.11Å; L241-I243 PolarHBondContact O-N 3.42Å; L241-I243 VanDerWaalsContact O-N 3.17Å
244M75.3Confident74.5Confident143 Ų143108.9 Ų108.970%0.70463%0.632SS**Hα-helixtrans-69.6-32.6-179.9-70.5-179.359.400113.2V240 L241 K246V240-M244 HydrophobicContact CG1-SD 4.32Å; V240-M244 PolarHBondContact O-N 3.38Å; V240-M244 VanDerWaalsContact O-N 3.08Å; L241-M244 PolarHBondContact O-N 2.95Å; L241-M244 VanDerWaalsContact O-N 3.08Å; M244-K246 VanDerWaalsContact C-N 3.29Å; M244-K246 PolarHBondContact O-N 2.85Å
245D77Confident75.4Confident129 Ų129108.1 Ų108.169%0.6962%0.621SS**THydrogen-bonded Turntrans-83.1-0.8-177.5-72.1-27.3000114.1L241 P247L241-D245 PolarHBondContact O-N 3.43Å; D245-P247 WeakPolarHBondContact O-CD 3.35Å
246K75.3Confident76.4Confident119 Ų119109.8 Ų109.852%0.51762%0.623SS.*SBendtrans-83.8109173.9-73.9169.9-176.6130.10109.1N242 M244 A248N242-K246 PolarHBondContact ND2-NZ 3.36Å; N242-K246 VanDerWaalsContact ND2-NZ 3.18Å; N242-K246 VanDerWaalsContact O-CD 3.27Å; N242-K246 WeakPolarHBondContact O-CD 3.18Å; N242-K246 WeakPolarHBondContact O-CE 3.33Å; N242-K246 WeakPolarHBondContact O-CG 3.15Å; N242-K246 PolarHBondContact O-NZ 3.47Å; N242-K246 PolarHBondContact OD1-NZ 3.31Å; M244-K246 VanDerWaalsContact C-N 3.29Å; M244-K246 PolarHBondContact O-N 2.85Å; K246-A248 PolarHBondContact O-N 3.18Å
247P73.2Confident76.4Confident124 Ų124113.5 Ų113.581%0.80565%0.647SS**  trans-62133.3171.727.2-33.2000109.1D245D245-P247 WeakPolarHBondContact O-CD 3.35Å
248A64Low76.5Confident176 Ų176114.5 Ų114.5100%1.45566%0.657SS**  trans-60.30179.700000113.2K246K246-A248 PolarHBondContact O-N 3.18Å

Retrieved 248 of 248 residues in 32 ms (Link to these results)