X6R4Y8_HUMAN Loading...

Transcription factor AP-2 beta

AlphaFold DB , UniProt , Accession X6R4Y8, Species HUMAN (Homo sapiens, Human), Gene TFAP2B, Length 198 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
1M56Low60.1Low217 Ų217146.5 Ų146.5100%1.06970%0.696SS**  0-320-76.9-179.8178.300113.3W3 K4M1-W3 VanDerWaalsContact C-N 3.33Å; M1-W3 PolarHBondContact O-N 3.17Å; M1-K4 PolarHBondContact O-N 2.78Å
2L57.1Low60.8Low143 Ų143145.1 Ų145.175%0.74969%0.688SS**THydrogen-bonded Turntrans-61.3-31.1177.3-81.4152.2000115.3K4 L5L2-K4 VanDerWaalsContact C-N 3.3Å; L2-K4 PolarHBondContact O-N 2.91Å; L2-L5 WeakPolarHBondContact O-CB 3.1Å; L2-L5 PolarHBondContact O-N 3.03Å; L2-L5 VanDerWaalsContact O-N 3.15Å
3W49.3Very low61.9Low224 Ų224140.7 Ų140.785%0.84867%0.671SS**Hα-helixtrans-67-26.3176.5-83.380.9000114M1 L5M1-W3 VanDerWaalsContact C-N 3.33Å; M1-W3 PolarHBondContact O-N 3.17Å; W3-L5 VanDerWaalsContact C-N 3.3Å
4K54Low62.9Low150 Ų150135.4 Ų135.465%0.65265%0.648SS**Hα-helixtrans-78.2-14.9174.4-68.7-170.8100.983.70113M1 L2M1-K4 PolarHBondContact O-N 2.78Å; L2-K4 VanDerWaalsContact C-N 3.3Å; L2-K4 PolarHBondContact O-N 2.91Å
5L58.6Low63.8Low123 Ų123134.1 Ų134.164%0.64464%0.635SS**Hα-helixtrans-75.8-35.5177.4-123.587.2000111.1L2 W3 E7 N8L2-L5 WeakPolarHBondContact O-CB 3.1Å; L2-L5 PolarHBondContact O-N 3.03Å; L2-L5 VanDerWaalsContact O-N 3.15Å; W3-L5 VanDerWaalsContact C-N 3.3Å; L5-E7 VanDerWaalsContact C-N 3.34Å; L5-N8 PolarHBondContact O-N 2.62Å
6V59.6Low64.6Low112 Ų112131.9 Ų131.968%0.67962%0.624SS**Hα-helixtrans-67.6-35.2179174.70000111.4N8V6-N8 VanDerWaalsContact C-N 3.29Å; V6-N8 PolarHBondContact O-N 3.45Å
7E61Low65.5Low147 Ų147131.1 Ų131.169%0.68762%0.622SS**THydrogen-bonded Turntrans-75.2-15.1179.8-65.2-178.917100114L5L5-E7 VanDerWaalsContact C-N 3.34Å
8N60.6Low66.4Low129 Ų129129.3 Ų129.369%0.6962%0.616SS**THydrogen-bonded Turntrans-96.8-5.5-178.1-79.45.1000113.6L5 V6 K10L5-N8 PolarHBondContact O-N 2.62Å; V6-N8 VanDerWaalsContact C-N 3.29Å; V6-N8 PolarHBondContact O-N 3.45Å; N8-K10 PolarHBondContact O-N 3.24Å
9V65.3Low67Low63 Ų63126.9 Ų126.938%0.38261%0.611SS.*SBendtrans-77.7109.4172.5-171.70000107D13 I14V9-D13 HydrophobicContact CG1-CB 3.89Å; V9-I14 HydrophobicContact CB-CG1 4.42Å; V9-I14 HydrophobicContact CG1-CD1 4.14Å; V9-I14 HydrophobicContact CG1-CG1 3.5Å
10K74.6Confident67.4Low149 Ų149126.5 Ų126.565%0.64861%0.607SS**  trans-64.7144.5178.1-65.5177.2-178.2176.50108N8 E12 D13 I14N8-K10 PolarHBondContact O-N 3.24Å; K10-E12 PolarHBondContact O-N 2.91Å; K10-E12 VanDerWaalsContact O-N 3.07Å; K10-D13 WeakPolarHBondContact O-CA 3.46Å; K10-D13 WeakPolarHBondContact O-CB 3.21Å; K10-D13 PolarHBondContact O-N 3.11Å; K10-I14 PolarHBondContact O-N 2.92Å
11Y65.4Low67.8Low155 Ų155123.8 Ų123.861%0.60860%0.599SS**Hα-helixtrans-54.4-32.3179.1-151-116.5000111.7I14 Y15Y11-I14 PolarHBondContact O-N 2.76Å; Y11-Y15 AromaticContact CD1-CD2 3.73Å; Y11-Y15 HydrophobicContact CD1-CD2 3.73Å; Y11-Y15 AromaticContact CD1-CE2 3.14Å; Y11-Y15 HydrophobicContact CD1-CE2 3.14Å; Y11-Y15 HydrophobicContact CE1-CD2 4.06Å; Y11-Y15 AromaticContact CE1-CE2 3.09Å; Y11-Y15 HydrophobicContact CE1-CE2 3.09Å; Y11-Y15 AromaticContact CE1-CZ 3.45Å; Y11-Y15 VanDerWaalsContact CE1-CZ 3.45Å; Y11-Y15 VanDerWaalsContact CE1-OH 3.26Å; Y11-Y15 WeakPolarHBondContact CE1-OH 3.43Å; Y11-Y15 HydrophobicContact CG-CD2 4.45Å; Y11-Y15 HydrophobicContact CG-CE2 4.2Å; Y11-Y15 VanDerWaalsContact O-CD2 3.25Å; Y11-Y15 WeakPolarHBondContact O-CD2 2.99Å; Y11-Y15 PolarHBondContact O-N 2.81Å
12E68.6Low68.4Low129 Ų129121.2 Ų121.260%0.60358%0.578SS**Hα-helixtrans-59.2-42.9170.5-57.7-57.9113.200113.4K10 I14 Y15 E16K10-E12 PolarHBondContact O-N 2.91Å; K10-E12 VanDerWaalsContact O-N 3.07Å; E12-I14 VanDerWaalsContact C-N 3.29Å; E12-I14 PolarHBondContact O-N 3.46Å; E12-Y15 PolarHBondContact O-N 3.21Å; E12-E16 WeakPolarHBondContact O-CB 3.26Å; E12-E16 WeakPolarHBondContact O-CG 3.23Å; E12-E16 PolarHBondContact O-N 3.06Å
13D74.8Confident68.9Low88 Ų88117.9 Ų117.947%0.47157%0.567SS.*Hα-helixtrans-67.9-32.3178.7-67.6-39.2000111.4V9 K10 M17V9-D13 HydrophobicContact CG1-CB 3.89Å; K10-D13 WeakPolarHBondContact O-CA 3.46Å; K10-D13 WeakPolarHBondContact O-CB 3.21Å; K10-D13 PolarHBondContact O-N 3.11Å; D13-M17 VanDerWaalsContact O-CB 3.23Å; D13-M17 WeakPolarHBondContact O-CB 3.27Å; D13-M17 PolarHBondContact O-N 3.01Å
14I76.2Confident69.6Low67 Ų67110.1 Ų110.134%0.34455%0.547SS..Hα-helixtrans-69.1-43.1174.3-55.4178.5000109.8V9 K10 Y11 E12 M17 L18V9-I14 HydrophobicContact CB-CG1 4.42Å; V9-I14 HydrophobicContact CG1-CD1 4.14Å; V9-I14 HydrophobicContact CG1-CG1 3.5Å; K10-I14 PolarHBondContact O-N 2.92Å; Y11-I14 PolarHBondContact O-N 2.76Å; E12-I14 VanDerWaalsContact C-N 3.29Å; E12-I14 PolarHBondContact O-N 3.46Å; I14-M17 PolarHBondContact O-N 2.75Å; I14-L18 HydrophobicContact CG2-CD1 3.88Å; I14-L18 WeakPolarHBondContact O-CB 3.35Å; I14-L18 WeakPolarHBondContact O-CD1 3.33Å; I14-L18 WeakPolarHBondContact O-CG 3.36Å; I14-L18 PolarHBondContact O-N 3.01Å
15Y75.4Confident70.1Confident115 Ų115108.5 Ų108.545%0.45154%0.543SS..Hα-helixtrans-63.9-47175.8-83.8-58.9000112.3Y11 E12 M17 L18 V19Y11-Y15 AromaticContact CD1-CD2 3.73Å; Y11-Y15 HydrophobicContact CD1-CD2 3.73Å; Y11-Y15 AromaticContact CD1-CE2 3.14Å; Y11-Y15 HydrophobicContact CD1-CE2 3.14Å; Y11-Y15 HydrophobicContact CE1-CD2 4.06Å; Y11-Y15 AromaticContact CE1-CE2 3.09Å; Y11-Y15 HydrophobicContact CE1-CE2 3.09Å; Y11-Y15 AromaticContact CE1-CZ 3.45Å; Y11-Y15 VanDerWaalsContact CE1-CZ 3.45Å; Y11-Y15 VanDerWaalsContact CE1-OH 3.26Å; Y11-Y15 WeakPolarHBondContact CE1-OH 3.43Å; Y11-Y15 HydrophobicContact CG-CD2 4.45Å; Y11-Y15 HydrophobicContact CG-CE2 4.2Å; Y11-Y15 VanDerWaalsContact O-CD2 3.25Å; Y11-Y15 WeakPolarHBondContact O-CD2 2.99Å; Y11-Y15 PolarHBondContact O-N 2.81Å; E12-Y15 PolarHBondContact O-N 3.21Å; Y15-M17 VanDerWaalsContact C-N 3.34Å; Y15-M17 PolarHBondContact O-N 3.28Å; Y15-L18 PolarHBondContact O-N 3.09Å; Y15-V19 WeakPolarHBondContact O-CB 3.4Å; Y15-V19 VanDerWaalsContact O-CG2 3.24Å; Y15-V19 WeakPolarHBondContact O-CG2 3.33Å; Y15-V19 PolarHBondContact O-N 3.42Å
16E77Confident70.2Confident100 Ų100108.4 Ų108.447%0.46754%0.543SS..Hα-helixtrans-60.7-43.9175.9-72.9-65.3142.600110.7E12 L18 V19 H20E12-E16 WeakPolarHBondContact O-CB 3.26Å; E12-E16 WeakPolarHBondContact O-CG 3.23Å; E12-E16 PolarHBondContact O-N 3.06Å; E16-L18 PolarHBondContact O-N 3.17Å; E16-V19 PolarHBondContact O-N 2.73Å; E16-H20 WeakPolarHBondContact O-CB 3.24Å; E16-H20 VanDerWaalsContact O-CG 3.27Å; E16-H20 PolarHBondContact O-N 2.98Å; E16-H20 PolarHBondContact O-ND1 2.72Å; E16-H20 IonicContact OE2-CE1 3.12Å; E16-H20 PolarHBondContact OE2-CE1 3.35Å; E16-H20 IonicContact OE2-ND1 3.78Å; E16-H20 IonicContact OE2-NE2 4Å
17M80.4Confident70.2Confident117 Ų117113.1 Ų113.158%0.57655%0.549SS*.Hα-helixtrans-60.1-44.9175.2-173.4-156.4-52.100111.9D13 I14 Y15 T21D13-M17 VanDerWaalsContact O-CB 3.23Å; D13-M17 WeakPolarHBondContact O-CB 3.27Å; D13-M17 PolarHBondContact O-N 3.01Å; I14-M17 PolarHBondContact O-N 2.75Å; Y15-M17 VanDerWaalsContact C-N 3.34Å; Y15-M17 PolarHBondContact O-N 3.28Å; M17-T21 VanDerWaalsContact O-CB 3.27Å; M17-T21 WeakPolarHBondContact O-CB 3.41Å; M17-T21 PolarHBondContact O-N 3.41Å; M17-T21 PolarHBondContact O-OG1 3.26Å
18L81.1Confident70Confident100 Ų100113.8 Ų113.852%0.52455%0.552SS.*Hα-helixtrans-64.1-45.5178.2-84.9159000111.6I14 Y15 E16 T21 Y22I14-L18 HydrophobicContact CG2-CD1 3.88Å; I14-L18 WeakPolarHBondContact O-CB 3.35Å; I14-L18 WeakPolarHBondContact O-CD1 3.33Å; I14-L18 WeakPolarHBondContact O-CG 3.36Å; I14-L18 PolarHBondContact O-N 3.01Å; Y15-L18 PolarHBondContact O-N 3.09Å; E16-L18 PolarHBondContact O-N 3.17Å; L18-T21 PolarHBondContact O-N 2.98Å; L18-Y22 WeakPolarHBondContact O-CB 3.49Å; L18-Y22 PolarHBondContact O-N 3.32Å
19V78.7Confident69.7Low84 Ų84115.1 Ų115.151%0.50956%0.559SS.*Hα-helixtrans-63.9-45.2179170.70000110.9Y15 E16 Y22 S23Y15-V19 WeakPolarHBondContact O-CB 3.4Å; Y15-V19 VanDerWaalsContact O-CG2 3.24Å; Y15-V19 WeakPolarHBondContact O-CG2 3.33Å; Y15-V19 PolarHBondContact O-N 3.42Å; E16-V19 PolarHBondContact O-N 2.73Å; V19-Y22 PolarHBondContact O-N 2.93Å; V19-S23 WeakPolarHBondContact O-CB 3.43Å; V19-S23 PolarHBondContact O-N 3.2Å
20H73.9Confident69Low118 Ų118114.7 Ų114.755%0.54657%0.567SS.*Hα-helixtrans-64.5-41176.8-72.4116.2000112.2E16 S24E16-H20 WeakPolarHBondContact O-CB 3.24Å; E16-H20 VanDerWaalsContact O-CG 3.27Å; E16-H20 PolarHBondContact O-N 2.98Å; E16-H20 PolarHBondContact O-ND1 2.72Å; E16-H20 IonicContact OE2-CE1 3.12Å; E16-H20 PolarHBondContact OE2-CE1 3.35Å; E16-H20 IonicContact OE2-ND1 3.78Å; E16-H20 IonicContact OE2-NE2 4Å; H20-S24 WeakPolarHBondContact O-CB 3.4Å; H20-S24 PolarHBondContact O-N 2.91Å; H20-S24 PolarHBondContact O-OG 2.98Å
21T76.8Confident67.9Low70 Ų70113.7 Ų113.743%0.42957%0.573SS.*Hα-helixtrans-63.4-45.2176.4-57.10000110.6M17 L18 S24 M25M17-T21 VanDerWaalsContact O-CB 3.27Å; M17-T21 WeakPolarHBondContact O-CB 3.41Å; M17-T21 PolarHBondContact O-N 3.41Å; M17-T21 PolarHBondContact O-OG1 3.26Å; L18-T21 PolarHBondContact O-N 2.98Å; T21-S24 PolarHBondContact O-N 3.44Å; T21-S24 PolarHBondContact O-OG 3.24Å; T21-M25 HydrophobicContact CG2-SD 4.07Å; T21-M25 PolarHBondContact O-N 2.84Å; T21-M25 VanDerWaalsContact O-N 3.11Å
22Y68.4Low67.1Low162 Ų162112.6 Ų112.664%0.63559%0.585SS**Hα-helixtrans-66-45.5178.8-136.8-92.2000112.3L18 V19 S24 M25 D26L18-Y22 WeakPolarHBondContact O-CB 3.49Å; L18-Y22 PolarHBondContact O-N 3.32Å; V19-Y22 PolarHBondContact O-N 2.93Å; Y22-S24 PolarHBondContact O-N 2.74Å; Y22-M25 PolarHBondContact O-N 3.04Å; Y22-M25 VanDerWaalsContact O-N 3.13Å; Y22-D26 PolarHBondContact O-N 3.46Å; Y22-D26 VanDerWaalsContact O-N 3.17Å
23S67.4Low66.2Low74 Ų74110.5 Ų110.552%0.51758%0.584SS.*Hα-helixtrans-61-31.5174.1-98.30000113.3V19V19-S23 WeakPolarHBondContact O-CB 3.43Å; V19-S23 PolarHBondContact O-N 3.2Å
24S63.4Low65.2Low60 Ų60114 Ų11442%0.4260%0.598SS.*Hα-helixtrans-71.8-35.7176760000112.1H20 T21 Y22 R27 H28H20-S24 WeakPolarHBondContact O-CB 3.4Å; H20-S24 PolarHBondContact O-N 2.91Å; H20-S24 PolarHBondContact O-OG 2.98Å; T21-S24 PolarHBondContact O-N 3.44Å; T21-S24 PolarHBondContact O-OG 3.24Å; Y22-S24 PolarHBondContact O-N 2.74Å; S24-R27 PolarHBondContact O-N 2.92Å; S24-H28 PolarHBondContact O-CD2 3.12Å; S24-H28 VanDerWaalsContact O-CD2 3.24Å
25M64.5Low63.5Low117 Ų117115.9 Ų115.958%0.57662%0.617SS**Hα-helixtrans-70.4-33.2178.1-88.315166.300112.8T21 Y22 R27 H28T21-M25 HydrophobicContact CG2-SD 4.07Å; T21-M25 PolarHBondContact O-N 2.84Å; T21-M25 VanDerWaalsContact O-N 3.11Å; Y22-M25 PolarHBondContact O-N 3.04Å; Y22-M25 VanDerWaalsContact O-N 3.13Å; M25-R27 PolarHBondContact O-N 2.84Å; M25-H28 PolarHBondContact O-N 3.05Å
26D60.3Low62.3Low120 Ų120115.1 Ų115.164%0.64263%0.628SS**THydrogen-bonded Turntrans-67-15176-99.7-87.7000114.3Y22Y22-D26 PolarHBondContact O-N 3.46Å; Y22-D26 VanDerWaalsContact O-N 3.17Å
27R60.5Low61.3Low212 Ų212121.2 Ų121.280%0.865%0.647SS**THydrogen-bonded Turntrans-92.6-1.7-178.3-69-169.4174.4-150.6-0.7114.6S24 M25S24-R27 PolarHBondContact O-N 2.92Å; M25-R27 PolarHBondContact O-N 2.84Å
28H56.6Low59.9Low161 Ų161123.2 Ų123.275%0.74566%0.659SS**THydrogen-bonded Turntrans-91.3-3.9-174.2-81.1-71000115.7S24 M25S24-H28 PolarHBondContact O-CD2 3.12Å; S24-H28 VanDerWaalsContact O-CD2 3.24Å; M25-H28 PolarHBondContact O-N 3.05Å
29D54.3Low58.5Low157 Ų157123 Ų12384%0.8467%0.666SS**THydrogen-bonded Turntrans-92.90.5173.4-79.8-66.6000114.2
30G50.1Low57.4Low53 Ų53127.4 Ų127.455%0.54668%0.681SS.*SBendtrans-99.898.2177.600000111.9P32G30-P32 WeakPolarHBondContact O-CD 3.25Å
31V51.7Low56.3Low128 Ų128129.9 Ų129.978%0.77670%0.697SS**  trans-45.2121.1164.6-156.60000109.4S33V31-S33 VanDerWaalsContact C-N 3.28Å; V31-S33 PolarHBondContact O-N 3.14Å
32P49Very low55.1Low132 Ų132130 Ų13086%0.85771%0.713SS**  trans-76.383.6177.6-12.127.8000109.7G30 H34G30-P32 WeakPolarHBondContact O-CD 3.25Å; P32-H34 PolarHBondContact O-N 3.1Å
33S48.7Very low54.5Low85 Ų85127.4 Ų127.459%0.59472%0.718SS**  trans-84.1110.9170.6-129.70000109.7V31V31-S33 VanDerWaalsContact C-N 3.28Å; V31-S33 PolarHBondContact O-N 3.14Å
34H55.6Low53.7Low163 Ų163130.7 Ų130.776%0.75574%0.735SS**  trans71.2100.5159-43.5-63.3000118.5P32P32-H34 PolarHBondContact O-N 3.1Å
35S39.2Very low52.8Low106 Ų106133.3 Ų133.374%0.74175%0.753SS**  -141.193.4127.3-164.20000109.9
36S51.6Low52.3Low99 Ų99136.1 Ų136.169%0.69277%0.765SS**  trans-58.7131.1157.6-56.10000108.1
37R54.5Low51.9Low227 Ų227132.5 Ų132.586%0.85776%0.756SS**  trans86.571.7167.9-47.5176.9-175.1-1030.1116.6
38L51Low51.8Low159 Ų159128.6 Ų128.683%0.83276%0.758SS**  trans-113.289.1136.9-108.594.1000108.7
39S52.9Low51.7Low95 Ų95130.9 Ų130.966%0.66476%0.761SS**  trans-77.6133.8161.6-61.60000108.4
40Q54Low51.5Low177 Ų177128.5 Ų128.583%0.82776%0.757SS**  trans68.577152.1-57.2171.424.300117.9
41L52.1Low52.1Low170 Ų170130.9 Ų130.989%0.8977%0.765SS**  trans-118.4112.6142.3-73.2174.9000108.4
42G50.8Low52.6Low74 Ų74128.6 Ų128.676%0.76376%0.76SS**  trans-71.7149.6-17500000113.3
43S55.4Low53.3Low106 Ų106127.4 Ų127.474%0.74175%0.752SS**  trans28.2117.5145.8-1710000118
44V51.3Low54Low144 Ų144128.6 Ų128.687%0.87376%0.758SS**  -166.1107.6128.8138.20000109.2
45S45.9Very low54.4Low115 Ų115127.6 Ų127.680%0.80476%0.758SS**  trans163.199.6130.6-166.20000108.6G47S45-G47 PolarHBondContact O-N 2.74Å
46Q52.8Low55.1Low175 Ų175127.4 Ų127.482%0.81876%0.756SS**  trans-79.7105.5174.6-70.5-91.5-12.800108.3
47G52.9Low55.1Low44 Ų44130.2 Ų130.245%0.45476%0.758SS.*  trans-79.3155.7163.200000110.9S45 Y49S45-G47 PolarHBondContact O-N 2.74Å; G47-Y49 PolarHBondContact O-N 2.82Å
48P56.7Low55Low130 Ų130124.3 Ų124.384%0.84475%0.747SS**SBendtrans-69.2-1.2-173.127.4-34.2000114.9
49Y55Low55.4Low209 Ų209122.7 Ų122.782%0.8275%0.746SS**SBendtrans-106.9105.3167.6-61.7-77000107.4G47 S51G47-Y49 PolarHBondContact O-N 2.82Å; Y49-S51 PolarHBondContact O-N 3.43Å
50S51.3Low55.6Low107 Ų107122.2 Ų122.275%0.74874%0.743SS**  trans-52.9105.2171.5-175.90000107.9A52S50-A52 PolarHBondContact O-N 2.86Å; S50-A52 VanDerWaalsContact O-N 3.15Å
51S61.4Low55.9Low103 Ų103117.7 Ų117.772%0.7273%0.731SS**  trans-55.3126.5170.764.20000106.4Y49Y49-S51 PolarHBondContact O-N 3.43Å
52A63.1Low56.5Low81 Ų81116.7 Ų116.767%0.66973%0.726SS**  trans-44.9135.5177.300000109.1S50S50-A52 PolarHBondContact O-N 2.86Å; S50-A52 VanDerWaalsContact O-N 3.15Å
53P63.9Low57.1Low106 Ų106121.6 Ų121.669%0.68873%0.727SS**  trans-52.3135.1178.320.4-30.3000108.1L55P53-L55 PolarHBondContact O-N 3.3Å; P53-L55 VanDerWaalsContact O-N 3.1Å
54P63.3Low58.1Low110 Ų110124.8 Ų124.871%0.71473%0.73SS**  trans-53.5126.7-178.422-32.2000107.9S56P54-S56 VanDerWaalsContact C-N 3.28Å; P54-S56 PolarHBondContact O-N 3.15Å; P54-S56 PolarHBondContact O-OG 3Å
55L62.6Low59.5Low143 Ų143122.8 Ų122.875%0.74972%0.72SS**  trans-55.3100.6173.3-115.989.1000106.5P53 H57P53-L55 PolarHBondContact O-N 3.3Å; P53-L55 VanDerWaalsContact O-N 3.1Å; L55-H57 PolarHBondContact O-N 2.91Å
56S55Low61.2Low101 Ų101122.2 Ų122.271%0.70671%0.714SS**  trans-75.185.9178.8-62.70000105.7P54 T58P54-S56 VanDerWaalsContact C-N 3.28Å; P54-S56 PolarHBondContact O-N 3.15Å; P54-S56 PolarHBondContact O-OG 3Å; S56-T58 PolarHBondContact O-N 3.39Å
57H52Low62.7Low158 Ų158123.1 Ų123.173%0.73171%0.711SS**  trans-64.288.1161.1-71.4-83.8000105.9L55 P59L55-H57 PolarHBondContact O-N 2.91Å; H57-P59 WeakPolarHBondContact O-CD 3.49Å; H57-P59 VanDerWaalsContact O-N 3.16Å
58T52.3Low64.3Low104 Ų104129.2 Ų129.264%0.63873%0.725SS**  trans-54.9118.2159.446.10000105.3S56 S60S56-T58 PolarHBondContact O-N 3.39Å; T58-S60 PolarHBondContact O-N 3.45Å
59P58.8Low65.8Low125 Ų125127 Ų12781%0.81271%0.711SS**  trans-73.663168.834.1-34.3000107.2H57 S61H57-P59 WeakPolarHBondContact O-CD 3.49Å; H57-P59 VanDerWaalsContact O-N 3.16Å; P59-S61 PolarHBondContact O-N 3.24Å
60S56.3Low67.3Low85 Ų85121.2 Ų121.259%0.59470%0.699SS**  trans-71.162.5153.7-75.30000106.5T58 D62T58-S60 PolarHBondContact O-N 3.45Å; S60-D62 PolarHBondContact O-N 2.74Å
61S61.4Low68.9Low82 Ų82121.8 Ų121.857%0.57370%0.7SS**  trans-71.969.8152.9-170.30000105.5P59 F63P59-S61 PolarHBondContact O-N 3.24Å; S61-F63 CarbonylContact O-C 3.39Å; S61-F63 PolarHBondContact O-N 3.12Å; S61-F63 VanDerWaalsContact O-N 3.12Å; S61-F63 PolarHBondContact OG-O 2.96Å
62D64.5Low69.9Low148 Ų148127.2 Ų127.279%0.79171%0.706SS**  trans-57.7-14.9164.8-82-57.8000110.8S60 Q64S60-D62 PolarHBondContact O-N 2.74Å; D62-Q64 PolarHBondContact O-N 3.38Å
63F62.8Low71Confident178 Ų178131.6 Ų131.678%0.78171%0.713SS**  trans-73.674.8158.9-122.9-94.4000110.3S61S61-F63 CarbonylContact O-C 3.39Å; S61-F63 PolarHBondContact O-N 3.12Å; S61-F63 VanDerWaalsContact O-N 3.12Å; S61-F63 PolarHBondContact OG-O 2.96Å
64Q77.9Confident71.6Confident172 Ų172132.3 Ų132.380%0.80472%0.718SS**  trans-68.8122.4153.3-84.4177.8-37.100107D62D62-Q64 PolarHBondContact O-N 3.38Å
65P78.8Confident72.1Confident103 Ų103133.3 Ų133.367%0.66972%0.717SS**  trans-57143.3171.725.3-32.7000108.6Y67P65-Y67 PolarHBondContact O-N 2.87Å
66P82.7Confident72.4Confident102 Ų102131.4 Ų131.466%0.66271%0.713SS**  trans-56.2115.4-177.720.8-30.9000109.4F68P66-F68 PolarHBondContact O-N 3.29Å
67Y83.2Confident72.4Confident195 Ų195136.6 Ų136.677%0.76572%0.718SS**PPolyproline II helixtrans-71.6116.4175.1-177.1-99.7000108.4P65P65-Y67 PolarHBondContact O-N 2.87Å
68F87.7Confident72.7Confident171 Ų171136.8 Ų136.875%0.7572%0.719SS**PPolyproline II helixtrans-76.6128.1170.6-78.8-91000108.9P66P66-F68 PolarHBondContact O-N 3.29Å
69P88.6Confident72.9Confident84 Ų84140.5 Ų140.555%0.54573%0.729SS.*PPolyproline II helixtrans-60.7145.117526.5-33.2000109.3
70P85.4Confident72.5Confident88 Ų88139.1 Ų139.157%0.57172%0.723SS**PPolyproline II helixtrans-57.1144.7174.125.2-33.3000109.6Y72P70-Y72 PolarHBondContact O-N 3.26Å
71P85.8Confident72.4Confident119 Ų119144 Ų14477%0.77374%0.736SS**PPolyproline II helixtrans-57134.4-179.323.4-33.1000110.1Q73P71-Q73 PolarHBondContact O-N 3.23Å; P71-Q73 VanDerWaalsContact O-N 3.09Å
72Y82.6Confident72.1Confident216 Ų216145.5 Ų145.585%0.84774%0.737SS**PPolyproline II helixtrans-56.5119.5176-64.5-74000109.1P70P70-Y72 PolarHBondContact O-N 3.26Å
73Q84.6Confident71.9Confident173 Ų173142.7 Ų142.781%0.80873%0.728SS**PPolyproline II helixtrans-68.4135.7171.7-67.5-173.9-9.600108.1P71 L75P71-Q73 PolarHBondContact O-N 3.23Å; P71-Q73 VanDerWaalsContact O-N 3.09Å; Q73-L75 PolarHBondContact O-N 3.17Å
74P76.8Confident71.3Confident121 Ų121142.8 Ų142.879%0.78672%0.724SS**  trans-61.2114.5172.525.2-31.1000107.4
75L74.2Confident70.3Confident132 Ų132139.1 Ų139.169%0.69172%0.717SS**  trans-56.4130.1168-73.7156.2000106.4Q73 Y77Q73-L75 PolarHBondContact O-N 3.17Å; L75-Y77 WeakPolarHBondContact O-CD2 3.44Å; L75-Y77 PolarHBondContact O-N 2.68Å
76P69.3Low69.3Low103 Ų103140.4 Ų140.467%0.66971%0.714SS**  trans-61.897167.124-28.3000106H78P76-H78 PolarHBondContact O-N 3.47Å
77Y55.4Low68.1Low210 Ų210140.5 Ų140.582%0.82471%0.712SS**  trans-60.195.5156.1-68.5-81.6000103.6L75 Q79L75-Y77 WeakPolarHBondContact O-CD2 3.44Å; L75-Y77 PolarHBondContact O-N 2.68Å; Y77-Q79 PolarHBondContact O-N 2.93Å
78H57.9Low66.7Low161 Ų161138.3 Ų138.375%0.74571%0.714SS**  trans-58.396.2157.5-83.1-85.9000103.8P76 S80P76-H78 PolarHBondContact O-N 3.47Å; H78-S80 PolarHBondContact O-N 3.44Å
79Q55.9Low65.2Low183 Ų183134.3 Ų134.386%0.85570%0.7SS**  trans-41.3114.1161.4-172.6171.69.700104Y77 Q81Y77-Q79 PolarHBondContact O-N 2.93Å; Q79-Q81 PolarHBondContact O-N 3.46Å
80S50.6Low63.8Low96 Ų96136 Ų13667%0.67171%0.712SS**  trans-32.8126.5-177.5-45.40000107.7H78 D82H78-S80 PolarHBondContact O-N 3.44Å; S80-D82 PolarHBondContact O-N 3.39Å
81Q55.5Low62.3Low188 Ų188141.1 Ų141.188%0.87972%0.721SS**  trans-60.179167-82.1166-31.800106.6Q79 P83Q79-Q81 PolarHBondContact O-N 3.46Å; Q81-P83 WeakPolarHBondContact O-CD 3.36Å; Q81-P83 VanDerWaalsContact O-N 3.12Å
82D54.9Low61.1Low112 Ų112139.1 Ų139.160%0.59971%0.709SS**  trans-61.7113.7166.6-103.4-33000103.8S80 Y84 S85S80-D82 PolarHBondContact O-N 3.39Å; D82-Y84 PolarHBondContact O-N 2.69Å; D82-S85 PolarHBondContact O-N 2.9Å
83P59.6Low59.9Low90 Ų90136.4 Ų136.458%0.58471%0.709SS**THydrogen-bonded Turntrans-62.92-175.2-2234.4000113.3Q81 H86Q81-P83 WeakPolarHBondContact O-CD 3.36Å; Q81-P83 VanDerWaalsContact O-N 3.12Å; P83-H86 PolarHBondContact O-CE1 3.45Å
84Y50.4Low58.3Low180 Ų180132.9 Ų132.971%0.70670%0.696SS**THydrogen-bonded Turntrans-121.38.3-178.4-62.9-80.4000113.2D82 H86 V87D82-Y84 PolarHBondContact O-N 2.69Å; Y84-H86 PolarHBondContact O-N 2.92Å; Y84-V87 HydrophobicContact CD1-CG2 4.34Å; Y84-V87 WeakPolarHBondContact O-CG2 3.26Å; Y84-V87 PolarHBondContact O-N 3.37Å
85S57.2Low57.3Low95 Ų95132.4 Ų132.466%0.66469%0.693SS**THydrogen-bonded Turntrans-70-17-179.6-165.70000114D82D82-S85 PolarHBondContact O-N 2.9Å
86H56.3Low56.3Low130 Ų130133.3 Ų133.360%0.60270%0.697SS**THydrogen-bonded Turntrans-94.5-5.6-177.358-86.8000113.8P83 Y84P83-H86 PolarHBondContact O-CE1 3.45Å; Y84-H86 PolarHBondContact O-N 2.92Å
87V58.3Low55.4Low103 Ų103135.3 Ų135.362%0.62470%0.697SS**SBendtrans-87.7-4.3179.4-75.30000113.6Y84Y84-V87 HydrophobicContact CD1-CG2 4.34Å; Y84-V87 WeakPolarHBondContact O-CG2 3.26Å; Y84-V87 PolarHBondContact O-N 3.37Å
88N52.9Low55.3Low149 Ų149133 Ų13380%0.79769%0.694SS**SBendtrans-109.7-0.1-172.4-149.718.1000115.4
89D57Low54.9Low87 Ų87129.7 Ų129.747%0.46569%0.687SS.*  trans-133.4105.9-179.4-161-15.3000112.1Y91 S92D89-Y91 PolarHBondContact O-N 2.9Å; D89-Y91 PolarHBondContact OD1-N 3.23Å; D89-Y91 VanDerWaalsContact OD1-N 3.11Å; D89-S92 PolarHBondContact O-N 3.13Å
90P59.1Low54.8Low121 Ų121128.9 Ų128.979%0.78668%0.683SS**THydrogen-bonded Turntrans-66.3-5.2178.527.5-33.2000113.6
91Y55Low55.1Low195 Ų195130.2 Ų130.277%0.76568%0.679SS**THydrogen-bonded Turntrans-116.219.6176.2-64.3-79.4000113.8D89 L93D89-Y91 PolarHBondContact O-N 2.9Å; D89-Y91 PolarHBondContact OD1-N 3.23Å; D89-Y91 VanDerWaalsContact OD1-N 3.11Å; Y91-L93 VanDerWaalsContact C-N 3.33Å; Y91-L93 PolarHBondContact O-N 2.89Å
92S59.3Low54.9Low76 Ų76127.4 Ų127.453%0.53167%0.665SS.*  trans-62.493.2179.266.50000111.2D89 N94D89-S92 PolarHBondContact O-N 3.13Å; S92-N94 PolarHBondContact O-N 3.11Å
93L57.3Low54.8Low160 Ų160127.3 Ų127.384%0.83867%0.671SS**  trans-64.7130.5172.7-78.2156.2000108.5Y91Y91-L93 VanDerWaalsContact C-N 3.33Å; Y91-L93 PolarHBondContact O-N 2.89Å
94N50.7Low54.4Low99 Ų99134.6 Ų134.653%0.52969%0.687SS.*  trans-41.9125.9-178.9-1600.7000111.2S92 L96 H97S92-N94 PolarHBondContact O-N 3.11Å; N94-L96 PolarHBondContact O-N 2.82Å; N94-H97 PolarHBondContact O-N 3.23Å
95P55.8Low54.4Low111 Ų111128.4 Ų128.472%0.72168%0.678SS**G310 helixtrans-57.4-16.4-178.3-24.832.7000114.3H97 Q98P95-H97 PolarHBondContact O-N 2.82Å; P95-Q98 PolarHBondContact O-N 3.41Å
96L54.5Low54.2Low150 Ų150129 Ų12979%0.78567%0.67SS**G310 helixtrans-61.4-15.8173.7-129.276.4000114N94N94-L96 PolarHBondContact O-N 2.82Å
97H50.9Low54Low145 Ų145133.9 Ų133.967%0.67168%0.683SS**G310 helixtrans-107.613.6-177.3-71.7-94.1000114.7N94 P95 P99N94-H97 PolarHBondContact O-N 3.23Å; P95-H97 PolarHBondContact O-N 2.82Å; H97-P99 VanDerWaalsContact O-CD 3.26Å; H97-P99 WeakPolarHBondContact O-CD 3.42Å
98Q52.9Low53.6Low161 Ų161137.7 Ų137.775%0.75269%0.694SS**SBendtrans-69.2120.6164.1-77.6-158.622.300108.7P95 Q100P95-Q98 PolarHBondContact O-N 3.41Å; Q98-Q100 PolarHBondContact O-N 3.07Å
99P49.9Very low53.5Low92 Ų92140.3 Ų140.360%0.59769%0.693SS**  trans-59.9116.1164.625.9-30.2000105.7H97 Q101H97-P99 VanDerWaalsContact O-CD 3.26Å; H97-P99 WeakPolarHBondContact O-CD 3.42Å; P99-Q101 HydrophobicContact CG-CG 4.41Å; P99-Q101 PolarHBondContact O-N 2.96Å
100Q53.7Low53Low167 Ų167144.6 Ų144.678%0.7871%0.71SS**  trans-63.987.8172-154.6157.444.300106.2Q98 H102Q98-Q100 PolarHBondContact O-N 3.07Å; Q100-H102 VanDerWaalsContact C-N 3.33Å; Q100-H102 PolarHBondContact O-CD2 2.82Å; Q100-H102 VanDerWaalsContact O-CD2 3.28Å; Q100-H102 PolarHBondContact O-N 3.25Å
101Q55.6Low52.5Low123 Ų123147.4 Ų147.458%0.57571%0.713SS**  trans-71.294.6-178.4-74.1-76.9-41.200106.6P99 Q106P99-Q101 HydrophobicContact CG-CG 4.41Å; P99-Q101 PolarHBondContact O-N 2.96Å; Q101-Q106 VanDerWaalsContact OE1-NE2 3.17Å
102H51Low52.1Low130 Ų130144.8 Ų144.860%0.60272%0.717SS**  trans-58.5128.7170.7-65.2-82.1000108.8Q100 W104 G105Q100-H102 VanDerWaalsContact C-N 3.33Å; Q100-H102 PolarHBondContact O-CD2 2.82Å; Q100-H102 VanDerWaalsContact O-CD2 3.28Å; Q100-H102 PolarHBondContact O-N 3.25Å; H102-W104 PolarHBondContact O-N 3.28Å; H102-G105 PolarHBondContact O-N 3.27Å
103P52.5Low51.1Low110 Ų110144.4 Ų144.471%0.71472%0.724SS**THydrogen-bonded Turntrans-57.7-17.9-177.5-25.732.8000114.7
104W51.4Low50.5Low243 Ų243142.6 Ų142.692%0.9273%0.725SS**THydrogen-bonded Turntrans-76.6-16.7-176.5-65.477.5000114H102H102-W104 PolarHBondContact O-N 3.28Å
105G51.4Low50.2Low50 Ų50146.5 Ų146.552%0.51574%0.74SS.*SBendtrans-89.8-17.6-175.400000116.2H102H102-G105 PolarHBondContact O-N 3.27Å
106Q52.5Low49.3Very low106 Ų106146 Ų14650%0.49575%0.746SS.*G310 helixtrans-78.1-20.5-174-74.7-71.2-30.200113.5Q101 Q108 R109Q101-Q106 VanDerWaalsContact OE1-NE2 3.17Å; Q106-Q108 VanDerWaalsContact C-N 3.28Å; Q106-Q108 PolarHBondContact O-N 3.33Å; Q106-R109 PolarHBondContact O-N 2.75Å
107R51.6Low48.6Very low234 Ų234142.3 Ų142.388%0.88374%0.744SS**G310 helixtrans-73.3-13.9-178.5-78.1-125.5-94.4-89.41.2114.9
108Q51.1Low48.3Very low182 Ų182140.5 Ų140.585%0.8575%0.748SS**G310 helixtrans-95.6-13.8178.1-165172.1-15.700113.2Q106Q106-Q108 VanDerWaalsContact C-N 3.28Å; Q106-Q108 PolarHBondContact O-N 3.33Å
109R49.8Very low47.9Very low204 Ų204140 Ų14077%0.7775%0.749SS**THydrogen-bonded Turntrans-99.319.8-174-151.2-153.4-167.1-76.3-1114Q106Q106-R109 PolarHBondContact O-N 2.75Å
110Q48.2Very low47.8Very low178 Ų178143.7 Ų143.783%0.83276%0.763SS**THydrogen-bonded Turntrans-1147.2-179.1-158.2142.79.900113.8
111E47Very low47.7Very low179 Ų179141.4 Ų141.484%0.83676%0.762SS**SBendtrans-133.674.6175.1-159.8174.8-151.300109.1
112V46.4Very low46.8Very low141 Ų141144 Ų14486%0.85577%0.774SS**SBendtrans174.5120.3152.11490000108.3
113G39.6Very low46.9Very low67 Ų67143 Ų14369%0.69178%0.78SS**  trans85.972.614800000117E115G113-E115 PolarHBondContact O-N 3.15Å
114S43.8Very low46.6Very low122 Ų122148.8 Ų148.885%0.85379%0.788SS**SBendtrans-70.479.4146.646.20000109.3
115E44.5Very low46.2Very low182 Ų182142 Ų14285%0.8578%0.783SS**  trans167.6109147.457.1-157.8163.400110G113G113-E115 PolarHBondContact O-N 3.15Å
116A37.8Very low45.7Very low101 Ų101144.3 Ų144.384%0.83580%0.798SS**  trans169.2110.3137.500000107.3
117G39.3Very low45.5Very low72 Ų72147.4 Ų147.474%0.74282%0.816SS**  trans-58160163.300000111.2L119G117-L119 PolarHBondContact O-N 3.39Å
118S44.2Very low45.4Very low107 Ų107141 Ų14175%0.74881%0.805SS**  trans-27.8130.1141.4-160.90000109.8
119L45.3Very low45.2Very low150 Ų150140.7 Ų140.779%0.78580%0.804SS**  -176100.984.6-77.2163.2000109.8G117G117-L119 PolarHBondContact O-N 3.39Å
120L47.1Very low45.6Very low169 Ų169138.7 Ų138.789%0.88581%0.807SS**  trans43.3-173.9155.8-54.7174.6000119.4
121P52.1Low45.7Very low119 Ų119136.3 Ų136.377%0.77381%0.81SS**  -109.8155.9-94.936.7-21.4000114.4
122Q36.5Very low45.8Very low177 Ų177131.3 Ų131.383%0.82781%0.807SS**  trans-159.3129.3155.2-127.4-145.476.400115.2
123P52.7Low46.3Very low111 Ų111133 Ų13372%0.72181%0.811SS**  trans-103.5134.2162.434-22.7000111.8
124R45.9Very low46.9Very low231 Ų231137 Ų13787%0.87282%0.816SS**  trans104.6121.9160.8-67.9-172.6164.7124.8-2.4119.8
125A44.4Very low47.4Very low99 Ų99135.7 Ų135.782%0.81881%0.805SS**  trans75114.6135.400000120.6
126A39.7Very low48.1Very low100 Ų100138 Ų13883%0.82681%0.806SS**  150.3118.8116.400000112.3
127L48.2Very low48.6Very low170 Ų170144.1 Ų144.189%0.8981%0.807SS**  trans-64166.1150.5-78.1160.1000108.8
128P49.6Very low49.2Very low100 Ų100146.6 Ų146.665%0.64980%0.804SS**  cis-142.4177.923.538.5-17.5000115
129Q46.6Very low49.2Very low175 Ų175151 Ų15182%0.81881%0.805SS**  177.2123.3128.5-86.7-42.9-32.400111.5
130L59.8Low49.7Very low162 Ų162152.1 Ų152.185%0.84881%0.806SS**  trans-88.4128.5167.7-69.4164.4000108.6
131S48.8Very low50.2Low128 Ų128148.2 Ų148.290%0.89579%0.793SS**  trans-176.3128.7162.7-79.20000107.8
132G49.9Very low50.3Low75 Ų75147.9 Ų147.977%0.77379%0.788SS**  cis-163.9-176.311.400000110.6
133L56.7Low51.1Low176 Ų176150.1 Ų150.192%0.92179%0.789SS**  trans-84.3164.4-154.8-62.8153.2000114.4
134D52.1Low51Low151 Ų151155.2 Ų155.281%0.80779%0.794SS**  trans109.6150.7150.2-128.233.2000119.3
135P54.7Low51.7Low95 Ų95150.2 Ų150.262%0.61779%0.792SS**  -139.964.7-83.142.3-24.7000111.6
136R58.2Low51.7Low229 Ų229150.4 Ų150.486%0.86478%0.779SS**  trans-157.143.9-166.9-127.3172.5175.8177.1-1.1120.9
137R49.3Very low52.3Low231 Ų231152 Ų15287%0.87278%0.778SS**  trans-146104.8151.7-82.9-152.1-178.5-108.42.2112.4Y139R137-Y139 PolarHBondContact O-N 3.41Å
138D52.3Low52.6Low124 Ų124151 Ų15166%0.66377%0.773SS**  trans-48.6116.2165.3-48.8-79.3000111.2
139Y42.3Very low52.8Low198 Ų198153.4 Ų153.478%0.77678%0.779SS**  trans-121.299.3150.5-90.5-87000106.5R137 S141R137-Y139 PolarHBondContact O-N 3.41Å; Y139-S141 PolarHBondContact O-N 3.39Å
140H55.8Low52.6Low174 Ų174154.3 Ų154.381%0.80678%0.783SS**  trans-63.442.7166.1-53.9-64.7000111.9
141S58Low51.7Low87 Ų87152.2 Ų152.261%0.60878%0.782SS**  trans-82.6120.9167.6-62.60000106.4Y139Y139-S141 PolarHBondContact O-N 3.39Å
142V54.3Low51.5Low112 Ų112150 Ų15068%0.67977%0.771SS**SBendtrans105.685.5165.1-168.60000114.3
143R53.7Low51.4Low224 Ų224154.4 Ų154.485%0.84577%0.771SS**  trans101.3100.1141.4-47.9-122.4-143.5-91.5-0117.2
144R51.3Low50.9Low218 Ų218154.5 Ų154.582%0.82377%0.767SS**  -167.8127.8117.9-111.4179-171.2-178.31.6112.8D146R144-D146 VanDerWaalsContact CB-OD1 3.25Å; R144-D146 WeakPolarHBondContact CB-OD1 3.39Å; R144-D146 WeakPolarHBondContact CG-OD1 3.25Å
145P59.6Low50.3Low127 Ų127150.5 Ų150.583%0.82576%0.761SS**  trans-95.6100168.534.3-22.1000109
146D45.3Very low49.9Very low103 Ų103154.6 Ų154.655%0.55178%0.777SS**  trans-150.293168.823.4-62.7000105.4R144 L148R144-D146 VanDerWaalsContact CB-OD1 3.25Å; R144-D146 WeakPolarHBondContact CB-OD1 3.39Å; R144-D146 WeakPolarHBondContact CG-OD1 3.25Å; D146-L148 PolarHBondContact O-N 3.35Å
147V52.4Low49.3Very low134 Ų134151.7 Ų151.781%0.81278%0.778SS**  33.188.8103.3179.20000109.2
148L54Low49.1Very low149 Ų149144.9 Ų144.978%0.7877%0.772SS**  trans155.2133.8147.5-81.6158.1000110.4D146D146-L148 PolarHBondContact O-N 3.35Å
149L53.6Low48.7Very low150 Ų150142.7 Ų142.779%0.78578%0.779SS**  trans8179.2166.8-76.972.3000118.4
150H42.6Very low49.1Very low193 Ų193142.8 Ų142.889%0.89479%0.789SS**  trans-130.584.8144.2-69110.8000110.3
151S40.1Very low48.4Very low118 Ų118137 Ų13783%0.82578%0.776SS**  trans-157.281.3147.3-720000103.6
152A46.2Very low47.8Very low81 Ų81140.3 Ų140.367%0.66979%0.786SS**  78.213998.300000111.5
153H47.7Very low47.6Very low168 Ų168139.8 Ų139.878%0.77879%0.788SS**  trans87.478.2172.1-55.2-72.9000117.1
154H45.7Very low47.6Very low179 Ų179136.4 Ų136.483%0.82979%0.786SS**  trans-52.6129.1138.544.4-83.7000110.9
155G38.3Very low47.8Very low66 Ų66131.9 Ų131.968%0.6879%0.787SS**  trans94.894.1132.300000119.5
156L48.1Very low47.5Very low181 Ų181132.4 Ų132.495%0.94878%0.783SS**  trans69.8101.3136.5-45.5178.3000118.9
157D43.9Very low47.5Very low168 Ų168135.7 Ų135.790%0.89879%0.794SS**  -167.5146114.5-167.232.6000110.9
158A46.6Very low47Very low89 Ų89132.3 Ų132.374%0.73679%0.786SS**  trans-97.2142.5-176.900000110.4
159G43.9Very low46.5Very low78 Ų78134.1 Ų134.180%0.80480%0.796SS**  trans149.2116.4159.500000115.1
160M50.1Low45.9Very low200 Ų200130.4 Ų130.499%0.98579%0.794SS**  trans-47140.3165.6-104.678.697.200113.6
161G41.1Very low46.1Very low52 Ų52129.5 Ų129.554%0.53679%0.789SS.*  trans172.7113.1161.600000109.4
162D46.2Very low46.5Very low156 Ų156129 Ų12983%0.83478%0.784SS**  76.487.7107.364.23.2000114.9
163S49.1Very low46.5Very low101 Ų101129.1 Ų129.171%0.70679%0.792SS**  57.2110.387.8-163.10000114.6
164L54.8Low46.5Very low154 Ų154127.4 Ų127.481%0.80679%0.787SS**  trans60.2104.5148.2-57.9172.9000118.6
165S54.4Low46.7Very low122 Ų122126.6 Ų126.685%0.85378%0.783SS**  trans-155.685.7147.8-70.60000106.4
166L52.4Low47.1Very low138 Ų138131 Ų13172%0.72379%0.791SS**  44.8130.579.8-159.862.9000113.6
167H46.2Very low47.4Very low173 Ų173129.3 Ų129.380%0.80179%0.788SS**  trans93.7121.4168.5-47.4-73.5000116.1
168G42.2Very low47.6Very low62 Ų62129.7 Ų129.764%0.63978%0.784SS**  cis172.4175.62.700000114.4
169L44.2Very low47.7Very low187 Ų187131.1 Ų131.198%0.97979%0.789SS**  trans75117.4152.8-53.2159.2000115.9
170G40.4Very low48Very low72 Ų72133.3 Ų133.374%0.74279%0.786SS**  cis-176.9160.96.800000114
171H46Very low48.3Very low174 Ų174132 Ų13281%0.80678%0.778SS**  trans58.2117.7155.1-98.8-82.4000123.1
172P49Very low48.8Very low108 Ų108137.6 Ų137.670%0.70180%0.796SS**PPolyproline II helixtrans-76.1128.2157.632.3-28.5000109.5M174P172-M174 PolarHBondContact O-N 3.38Å
173G45.3Very low48.9Very low83 Ų83135 Ų13586%0.85680%0.795SS**PPolyproline II helixtrans-68.4119.517800000111.5
174M49Very low49.2Very low133 Ų133137.2 Ų137.266%0.65580%0.799SS**PPolyproline II helixtrans-80.8166.6169.9-63.91635900108.9P172P172-M174 PolarHBondContact O-N 3.38Å
175E49.3Very low49.3Very low162 Ų162137.4 Ų137.476%0.75780%0.801SS**  trans60.991158.473.5-113.913400120.7
176D47.7Very low49.4Very low158 Ų158137.4 Ų137.485%0.84580%0.801SS**  trans-146.768.3140.2-127.8-59.5000109.8
177V53.9Low49.2Very low146 Ų146134.3 Ų134.389%0.88580%0.803SS**  trans-118.668.7164.6-1740000106.3
178Q47.6Very low49.6Very low175 Ų175135.1 Ų135.182%0.81881%0.809SS**  trans-140.3137.1165.7-75.9-163.3-24.700111.3
179S48.1Very low50.2Low120 Ų120139.1 Ų139.184%0.83982%0.816SS**  trans83.665.4167.3-57.50000116.9
180V51.5Low50.7Low123 Ų123137.6 Ų137.675%0.74581%0.808SS**  trans-58.4136.7142.1-153.30000109.1
181E55.1Low51.4Low172 Ų172139 Ų13980%0.80480%0.798SS**SBendtrans91.96.5135.7-114.4164134.500126.1
182D52.2Low51.9Low171 Ų171138.9 Ų138.991%0.91480%0.803SS**  trans-127.432.3-172.6-115.9-26.8000119.2
183A48.1Very low52.3Low100 Ų100141.3 Ų141.383%0.82681%0.805SS**SBendtrans-127.619.9171.400000114.7
184N55.1Low53Low148 Ų148143.1 Ų143.179%0.79181%0.805SS**SBendtrans-89.622.5176.4-169.627.1000113.9
185N57.1Low53.5Low159 Ų159143.1 Ų143.185%0.8581%0.812SS**SBendtrans-149.432.3-170.5-105.6-38.7000118.6
186S56.3Low54.3Low121 Ų121143.3 Ų143.385%0.84682%0.816SS**SBendtrans-15976.4171.252.80000113.6
187G48.3Very low54.2Low73 Ų73145.3 Ų145.375%0.75382%0.818SS**  trans178-7171.800000117N189G187-N189 PolarHBondContact O-N 3.24Å
188M55.3Low53.7Low191 Ų191151.5 Ų151.594%0.94183%0.832SS**SBendtrans-65122.9164.3-142.688.486.600107.6
189N54.1Low54Low145 Ų145150.3 Ų150.378%0.77583%0.833SS**  trans91.170.3167.1-144.7-68.8000117.9G187G187-N189 PolarHBondContact O-N 3.24Å
190L55.4Low54.3Low156 Ų156151.9 Ų151.982%0.81783%0.833SS**  trans-141.187.1149.7-155.180.2000111.8
191L55.1Low54.5Low101 Ų101153.5 Ų153.553%0.52984%0.838SS.*  trans58.599.5143.4-76.963.1000116.6Q193L191-Q193 HydrophobicContact CB-CB 4.3Å; L191-Q193 HydrophobicContact CB-CG 4.47Å; L191-Q193 HydrophobicContact CD2-CG 4.47Å; L191-Q193 HydrophobicContact CG-CG 4.48Å; L191-Q193 PolarHBondContact O-N 3.38Å; L191-Q193 VanDerWaalsContact O-N 3.14Å
192D55.9Low54.5Low171 Ų171152.4 Ų152.491%0.91484%0.84SS**  48.517.460.7-146.93.2000115.8
193Q57.1Low54.6Low159 Ų159151.3 Ų151.374%0.74384%0.835SS**  trans-14950.1-178.8-75-15590.300117.5L191L191-Q193 HydrophobicContact CB-CB 4.3Å; L191-Q193 HydrophobicContact CB-CG 4.47Å; L191-Q193 HydrophobicContact CD2-CG 4.47Å; L191-Q193 HydrophobicContact CG-CG 4.48Å; L191-Q193 PolarHBondContact O-N 3.38Å; L191-Q193 VanDerWaalsContact O-N 3.14Å
194S60.4Low55Low121 Ų121154.7 Ų154.785%0.84684%0.836SS**  trans-153.864155.369.10000114.1
195V60.8Low55Low134 Ų134155.1 Ų155.181%0.81284%0.839SS**  trans-105111.7147.7-175.60000106.9
196I64.5Low54.9Low166 Ų166154.8 Ų154.885%0.85184%0.838SS**  trans-151.5119141.7-100.2144.8000108.6
197K45.8Very low54.7Low200 Ų200157.7 Ų157.787%0.8784%0.837SS**  trans-65.8132.7162.8-74.9167.7159.7172.30109.5
198K44.2Very low55.3Low275 Ų275165.4 Ų165.4100%1.19685%0.845SS**  -177.60113.6-169.5168.776.2177.50109.6

Retrieved 198 of 198 residues in 23.3 ms (Link to these results)