A0A077YXR0_TRITR Loading...

Calponin domain containing protein

AlphaFold DB , UniProt , Accession A0A077YXR0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 369 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
1M41.2Very low39.1Very low244 Ų244155.9 Ų155.9100%1.20283%0.833SS**  0126.50-72.9-174.5173.900105.3
2S42.8Very low38.5Very low113 Ų113156.7 Ų156.779%0.7984%0.837SS**  trans-53.9129.2-156.744.60000114.8A4S2-A4 PolarHBondContact O-N 3.1Å; S2-A4 VanDerWaalsContact O-N 3.15Å
3D41.4Very low37.9Very low162 Ų162150.4 Ų150.487%0.86683%0.832SS**  trans-56.4107.7158.3-58.1-58.3000108
4A45Very low37.6Very low98 Ų98153 Ų15381%0.8184%0.835SS**  trans-86.9118.1174.200000107.8S2S2-A4 PolarHBondContact O-N 3.1Å; S2-A4 VanDerWaalsContact O-N 3.15Å
5E41.5Very low37.6Very low189 Ų189153.5 Ų153.588%0.88384%0.836SS**  trans-63.8143.2-172.5-66.5174.1149.900112.4E7E5-E7 PolarHBondContact O-N 3.04Å
6N37.6Very low37.5Very low131 Ų131155.6 Ų155.670%0.70184%0.839SS**  trans-73.899.4179.8-177.945.4000109.9Q8N6-Q8 PolarHBondContact ND2-OE1 2.7Å; N6-Q8 PolarHBondContact O-N 3.27Å
7E40.1Very low37.5Very low185 Ų185157.2 Ų157.286%0.86484%0.84SS**  trans-86.195.2162.7-95.3-176.7161.100108.9E5 T9E5-E7 PolarHBondContact O-N 3.04Å; E7-T9 PolarHBondContact O-N 3.24Å
8Q37Very low37.8Very low152 Ų152157.3 Ų157.371%0.7184%0.84SS**  trans-68.2109.6164-82.4166.9-63.800108.7N6N6-Q8 PolarHBondContact ND2-OE1 2.7Å; N6-Q8 PolarHBondContact O-N 3.27Å
9T36.2Very low38Very low117 Ų117157.7 Ų157.772%0.71884%0.839SS**  trans-90.3108.2163.349.90000108.8E7 Q11E7-T9 PolarHBondContact O-N 3.24Å; T9-Q11 PolarHBondContact O-N 3.3Å
10D34.9Very low38.6Very low147 Ų147159.4 Ų159.479%0.78684%0.841SS**  trans-61.1108.7170-59.3-49.8000109.9
11Q33Very low39.1Very low177 Ų177160.5 Ų160.583%0.82784%0.842SS**  trans-132.561.5167.2-73.4-172.5-7.400108.8T9T9-Q11 PolarHBondContact O-N 3.3Å
12D31.3Very low39.7Very low165 Ų165155.9 Ų155.988%0.88282%0.822SS**  trans-108.7116.8168.9-73.6-38.9000108.7
13G31.5Very low40.7Very low75 Ų75155.9 Ų155.977%0.77381%0.813SS**SBendtrans132.437.8147.600000120.4
14Q33.4Very low41.8Very low187 Ų187156 Ų15687%0.87481%0.808SS**SBendtrans-129.25.6168.4-74.4-168.5-20.200117.5
15D36.6Very low42.9Very low160 Ų160159 Ų15986%0.85681%0.805SS**  trans-108.635.4-171.7-60.5-16.5000114.9
16Q36Very low44.4Very low188 Ų188152.7 Ų152.788%0.87979%0.785SS**SBendtrans-118.44.1-177-81.5-171.414.800117.6
17E38.3Very low46.3Very low182 Ų182152 Ų15285%0.8578%0.78SS**SBendtrans-106.5-6.7-178.4-67.3-169169.400116.1
18D42.2Very low48Very low159 Ų159148.8 Ų148.885%0.8577%0.766SS**THydrogen-bonded Turntrans-96.110-171.2-67.7-11.8000115.7
19M43Very low49.9Very low166 Ų166147.7 Ų147.782%0.81876%0.761SS**THydrogen-bonded Turntrans-100.83.3-173.2-72.8-67.2-68.800115.8
20E49.2Very low51.8Low190 Ų190145 Ų14589%0.88875%0.75SS**SBendtrans-104.5-9.4-176.7-67.4-165.1167.900115.7L22E20-L22 PolarHBondContact O-N 3.26Å
21E48.5Very low53.9Low184 Ų184143.5 Ų143.586%0.8674%0.738SS**  trans-85.159167.8-78.7-169.6154.400111D23E21-D23 VanDerWaalsContact C-N 3.29Å; E21-D23 PolarHBondContact O-N 3.09Å
22L54.1Low56Low147 Ų147141.8 Ų141.877%0.7773%0.728SS**  trans-71.196.1158.4-77.4171.6000107.5E20 Q24E20-L22 PolarHBondContact O-N 3.26Å; L22-Q24 PolarHBondContact O-N 2.88Å
23D63.8Low58.2Low112 Ų112143.2 Ų143.260%0.59972%0.721SS**  trans-17.3105.7177.7-63.7-31.2000113.8E21 E25 A26 I27E21-D23 VanDerWaalsContact C-N 3.29Å; E21-D23 PolarHBondContact O-N 3.09Å; D23-E25 PolarHBondContact O-N 3.44Å; D23-A26 HydrophobicContact CB-CB 4.15Å; D23-A26 WeakPolarHBondContact O-CB 3.35Å; D23-A26 PolarHBondContact O-N 3.43Å; D23-I27 PolarHBondContact O-N 3.06Å
24Q65.4Low60.4Low165 Ų165149.1 Ų149.177%0.77172%0.72SS**Hα-helixtrans-52.3-29.7171.8-64.6177.25.900111.3L22 I27 E28L22-Q24 PolarHBondContact O-N 2.88Å; Q24-I27 PolarHBondContact O-N 3.29Å; Q24-E28 PolarHBondContact O-N 3.24Å
25E67.9Low62.4Low160 Ų160144.8 Ų144.875%0.74870%0.7SS**Hα-helixtrans-61.8-40.7173.9-69.4-167.1158.100113.3D23 I27 E28 E29D23-E25 PolarHBondContact O-N 3.44Å; E25-I27 VanDerWaalsContact C-N 3.29Å; E25-I27 PolarHBondContact O-N 2.99Å; E25-E28 PolarHBondContact O-N 3.14Å; E25-E29 WeakPolarHBondContact O-CB 3.46Å; E25-E29 PolarHBondContact O-N 2.96Å
26A73.3Confident63.9Low57 Ų57143.2 Ų143.247%0.47169%0.687SS.*Hα-helixtrans-66.1-35179.100000111.5D23 A30D23-A26 HydrophobicContact CB-CB 4.15Å; D23-A26 WeakPolarHBondContact O-CB 3.35Å; D23-A26 PolarHBondContact O-N 3.43Å; A26-A30 WeakPolarHBondContact O-CB 3.41Å; A26-A30 PolarHBondContact O-N 3.5Å
27I76.9Confident65.6Low116 Ų116136.3 Ų136.360%0.59566%0.662SS**Hα-helixtrans-68.2-44.7175.2-59.1175.3000110.4D23 Q24 E25 A30 H31D23-I27 PolarHBondContact O-N 3.06Å; Q24-I27 PolarHBondContact O-N 3.29Å; E25-I27 VanDerWaalsContact C-N 3.29Å; E25-I27 PolarHBondContact O-N 2.99Å; I27-A30 PolarHBondContact O-N 3.47Å; I27-H31 PolarHBondContact O-N 3.06Å
28E75.6Confident67.2Low118 Ų118134.5 Ų134.555%0.55165%0.647SS**Hα-helixtrans-63-42.1176.1-77.6-163.2174.900112.7Q24 E25 H31 K32Q24-E28 PolarHBondContact O-N 3.24Å; E25-E28 PolarHBondContact O-N 3.14Å; E28-H31 PolarHBondContact O-N 3.42Å; E28-K32 WeakPolarHBondContact O-CG 3.26Å; E28-K32 PolarHBondContact O-N 3.02Å; E28-K32 IonicContact OE2-NZ 3.68Å
29E76.6Confident68.3Low130 Ų130129.5 Ų129.561%0.60763%0.628SS**Hα-helixtrans-65.5-41.6179-162.5-177.7-17900111.2E25 H31 K32 R33E25-E29 WeakPolarHBondContact O-CB 3.46Å; E25-E29 PolarHBondContact O-N 2.96Å; E29-H31 VanDerWaalsContact C-N 3.29Å; E29-H31 PolarHBondContact O-N 3.01Å; E29-K32 PolarHBondContact O-N 3.5Å; E29-R33 WeakPolarHBondContact O-CB 3.28Å; E29-R33 PolarHBondContact O-N 3.16Å
30A77.3Confident69.1Low59 Ų59126.8 Ų126.849%0.48861%0.614SS.*Hα-helixtrans-60.4-38.4172.900000112.2A26 I27 R33 R34A26-A30 WeakPolarHBondContact O-CB 3.41Å; A26-A30 PolarHBondContact O-N 3.5Å; I27-A30 PolarHBondContact O-N 3.47Å; A30-R33 PolarHBondContact O-N 3.1Å; A30-R34 PolarHBondContact O-N 2.87Å; A30-R34 VanDerWaalsContact O-N 3.1Å
31H79Confident69.7Low117 Ų117127 Ų12754%0.54261%0.606SS.*Hα-helixtrans-67-45.7176.6-158.1-75.5000111.9I27 E28 E29 R33 R34 E35I27-H31 PolarHBondContact O-N 3.06Å; E28-H31 PolarHBondContact O-N 3.42Å; E29-H31 VanDerWaalsContact C-N 3.29Å; E29-H31 PolarHBondContact O-N 3.01Å; H31-R33 VanDerWaalsContact C-N 3.3Å; H31-R33 PolarHBondContact O-N 3.41Å; H31-R34 WeakPolarHBondContact O-CB 3.43Å; H31-R34 PolarHBondContact O-N 3.11Å; H31-E35 PolarHBondContact O-N 3.48Å
32K77Confident70.3Confident141 Ų141122.9 Ų122.961%0.61359%0.587SS**Hα-helixtrans-59.2-41175.6-74.6170.7-176.8155.60111.8E28 E29 E35 H36E28-K32 WeakPolarHBondContact O-CG 3.26Å; E28-K32 PolarHBondContact O-N 3.02Å; E28-K32 IonicContact OE2-NZ 3.68Å; E29-K32 PolarHBondContact O-N 3.5Å; K32-E35 PolarHBondContact O-N 3.06Å; K32-H36 PolarHBondContact O-N 2.87Å
33R77.3Confident70.4Confident194 Ų194122 Ų12273%0.73258%0.579SS**Hα-helixtrans-66.6-36.5178.8-144.9169.2-173.1167.51.6112.3E29 A30 H31 A37E29-R33 WeakPolarHBondContact O-CB 3.28Å; E29-R33 PolarHBondContact O-N 3.16Å; A30-R33 PolarHBondContact O-N 3.1Å; H31-R33 VanDerWaalsContact C-N 3.3Å; H31-R33 PolarHBondContact O-N 3.41Å; R33-A37 WeakPolarHBondContact O-CB 3.45Å; R33-A37 PolarHBondContact O-N 3.31Å; R33-A37 VanDerWaalsContact O-N 3.13Å
34R77.5Confident70.2Confident200 Ų200121.4 Ų121.476%0.75558%0.579SS**Hα-helixtrans-65.3-43.9172.7-104.4-176.9175.3174.80.7112.6A30 H31 A37 R38A30-R34 PolarHBondContact O-N 2.87Å; A30-R34 VanDerWaalsContact O-N 3.1Å; H31-R34 WeakPolarHBondContact O-CB 3.43Å; H31-R34 PolarHBondContact O-N 3.11Å; R34-A37 PolarHBondContact O-N 3.34Å; R34-R38 PolarHBondContact O-N 3.23Å
35E74.7Confident69.7Low96 Ų96116.4 Ų116.445%0.44957%0.566SS.*Hα-helixtrans-63.5-42.3177.8-73.2-63.612800111.6H31 K32 A37 R38 A39H31-E35 PolarHBondContact O-N 3.48Å; K32-E35 PolarHBondContact O-N 3.06Å; E35-A37 PolarHBondContact O-N 2.87Å; E35-R38 WeakPolarHBondContact O-CB 3.44Å; E35-R38 PolarHBondContact O-N 3.17Å; E35-A39 PolarHBondContact O-N 3.29Å
36H68.6Low69.1Low126 Ų126114.1 Ų114.158%0.58356%0.559SS**Hα-helixtrans-63.5-43.5177-147.1-76.9000112.2K32 R38 A39 E40K32-H36 PolarHBondContact O-N 2.87Å; H36-R38 VanDerWaalsContact C-N 3.26Å; H36-R38 PolarHBondContact O-N 3.32Å; H36-A39 PolarHBondContact O-N 3.13Å; H36-E40 IonicContact CE1-OE1 3.83Å; H36-E40 IonicContact ND1-OE1 3.91Å; H36-E40 PolarHBondContact O-N 2.92Å; H36-E40 VanDerWaalsContact O-N 3.1Å
37A72.3Confident68.2Low44 Ų44116.6 Ų116.636%0.36456%0.564SS.*Hα-helixtrans-65.3-29.2176.600000112.8R33 R34 E35 R41R33-A37 WeakPolarHBondContact O-CB 3.45Å; R33-A37 PolarHBondContact O-N 3.31Å; R33-A37 VanDerWaalsContact O-N 3.13Å; R34-A37 PolarHBondContact O-N 3.34Å; E35-A37 PolarHBondContact O-N 2.87Å; A37-R41 WeakPolarHBondContact O-CG 3.36Å; A37-R41 PolarHBondContact O-N 3.48Å
38R71.8Confident67.1Low143 Ų143114.7 Ų114.754%0.5457%0.565SS.*Hα-helixtrans-71.3-45.3173.3-178.8-177.2171.8178.51.1111.4R34 E35 H36 E40 R41 E42R34-R38 PolarHBondContact O-N 3.23Å; E35-R38 WeakPolarHBondContact O-CB 3.44Å; E35-R38 PolarHBondContact O-N 3.17Å; H36-R38 VanDerWaalsContact C-N 3.26Å; H36-R38 PolarHBondContact O-N 3.32Å; R38-E40 VanDerWaalsContact C-N 3.33Å; R38-E40 PolarHBondContact O-N 3.07Å; R38-R41 PolarHBondContact O-N 3.02Å; R38-E42 IonicContact CZ-OE1 2.72Å; R38-E42 IonicContact NE-OE1 2.81Å; R38-E42 PolarHBondContact NE-OE1 3.28Å; R38-E42 IonicContact NH2-OE1 2.75Å; R38-E42 PolarHBondContact O-N 2.78Å
39A64.2Low66.1Low55 Ų55112.9 Ų112.946%0.45557%0.571SS.*Hα-helixtrans-59.3-42.6178.500000112E35 H36 R41 E42 E43E35-A39 PolarHBondContact O-N 3.29Å; H36-A39 PolarHBondContact O-N 3.13Å; A39-R41 PolarHBondContact O-N 3.19Å; A39-E42 PolarHBondContact O-N 3.04Å; A39-E43 PolarHBondContact O-N 2.9Å
40E60.9Low65Low109 Ų109114.7 Ų114.751%0.50958%0.577SS.*Hα-helixtrans-61.6-41.6175.4-75177.7-175.600112.3H36 R38 E42 E43 V44H36-E40 IonicContact CE1-OE1 3.83Å; H36-E40 IonicContact ND1-OE1 3.91Å; H36-E40 PolarHBondContact O-N 2.92Å; H36-E40 VanDerWaalsContact O-N 3.1Å; R38-E40 VanDerWaalsContact C-N 3.33Å; R38-E40 PolarHBondContact O-N 3.07Å; E40-E42 VanDerWaalsContact C-N 3.35Å; E40-E42 PolarHBondContact O-N 3.12Å; E40-E43 PolarHBondContact O-N 2.64Å; E40-V44 WeakPolarHBondContact O-CG2 3.23Å; E40-V44 PolarHBondContact O-N 3.16Å
41R61.6Low63.6Low194 Ų194114.8 Ų114.873%0.73258%0.584SS**Hα-helixtrans-64-39.3176.7-73.8175.8-178.2-178.51.4112.5A37 R38 A39 A45A37-R41 WeakPolarHBondContact O-CG 3.36Å; A37-R41 PolarHBondContact O-N 3.48Å; R38-R41 PolarHBondContact O-N 3.02Å; A39-R41 PolarHBondContact O-N 3.19Å; R41-A45 WeakPolarHBondContact O-CB 3.4Å; R41-A45 PolarHBondContact O-N 2.85Å
42E60Low62.7Low98 Ų98118.7 Ų118.746%0.45860%0.599SS.*Hα-helixtrans-67.5-36.7176.9-71.6178.6-171.800111.5R38 A39 E40 A45 N46R38-E42 IonicContact CZ-OE1 2.72Å; R38-E42 IonicContact NE-OE1 2.81Å; R38-E42 PolarHBondContact NE-OE1 3.28Å; R38-E42 IonicContact NH2-OE1 2.75Å; R38-E42 PolarHBondContact O-N 2.78Å; A39-E42 PolarHBondContact O-N 3.04Å; E40-E42 VanDerWaalsContact C-N 3.35Å; E40-E42 PolarHBondContact O-N 3.12Å; E42-A45 PolarHBondContact O-N 3.06Å; E42-N46 WeakPolarHBondContact O-CB 2.95Å; E42-N46 PolarHBondContact O-N 2.9Å; E42-N46 PolarHBondContact O-ND2 3.31Å
43E56.2Low61.8Low127 Ų127117.8 Ų117.859%0.59361%0.608SS**Hα-helixtrans-64.5-46.7174-168.7-177.8177.200112.1A39 E40 A45 N46 L47A39-E43 PolarHBondContact O-N 2.9Å; E40-E43 PolarHBondContact O-N 2.64Å; E43-A45 VanDerWaalsContact C-N 3.3Å; E43-A45 PolarHBondContact O-N 2.98Å; E43-N46 PolarHBondContact O-N 2.97Å; E43-L47 HydrophobicContact CG-CD1 4.29Å; E43-L47 PolarHBondContact O-N 3.1Å
44V59.1Low61Low101 Ų101111.7 Ų111.761%0.61260%0.595SS**Hα-helixtrans-63-37.7177.3179.50000111.5E40 L47 A48E40-V44 WeakPolarHBondContact O-CG2 3.23Å; E40-V44 PolarHBondContact O-N 3.16Å; V44-L47 PolarHBondContact O-N 3.46Å; V44-A48 PolarHBondContact O-N 3.45Å; V44-A48 VanDerWaalsContact O-N 3.15Å
45A56.7Low60.5Low60 Ų60107.4 Ų107.450%0.49660%0.602SS.*Hα-helixtrans-65.1-40.3175.300000112.3R41 E42 E43 A48 A49R41-A45 WeakPolarHBondContact O-CB 3.4Å; R41-A45 PolarHBondContact O-N 2.85Å; E42-A45 PolarHBondContact O-N 3.06Å; E43-A45 VanDerWaalsContact C-N 3.3Å; E43-A45 PolarHBondContact O-N 2.98Å; A45-A48 PolarHBondContact O-N 3.17Å; A45-A49 PolarHBondContact O-N 3.03Å
46N55.5Low60.3Low111 Ų111107.2 Ų107.259%0.59460%0.604SS**Hα-helixtrans-67-35.3176.8-76.9-29000112.5E42 E43 A48 A49 F50E42-N46 WeakPolarHBondContact O-CB 2.95Å; E42-N46 PolarHBondContact O-N 2.9Å; E42-N46 PolarHBondContact O-ND2 3.31Å; E43-N46 PolarHBondContact O-N 2.97Å; N46-A48 VanDerWaalsContact C-N 3.31Å; N46-A48 PolarHBondContact O-N 2.96Å; N46-A49 WeakPolarHBondContact O-CB 3.43Å; N46-A49 PolarHBondContact O-N 3.11Å; N46-F50 WeakPolarHBondContact O-CD2 3.35Å
47L53Low60.5Low109 Ų109104.9 Ų104.957%0.57160%0.6SS**Hα-helixtrans-64.6-35.8172.3-80.3152.7000112E43 V44 A49 F50E43-L47 HydrophobicContact CG-CD1 4.29Å; E43-L47 PolarHBondContact O-N 3.1Å; V44-L47 PolarHBondContact O-N 3.46Å; L47-A49 VanDerWaalsContact C-N 3.28Å; L47-A49 PolarHBondContact O-N 3.33Å; L47-F50 PolarHBondContact O-N 2.93Å
48A53.9Low60.1Low76 Ų76109.9 Ų109.963%0.62861%0.613SS**Hα-helixtrans-71.6-19.7175.600000113.7V44 A45 N46 F50V44-A48 PolarHBondContact O-N 3.45Å; V44-A48 VanDerWaalsContact O-N 3.15Å; A45-A48 PolarHBondContact O-N 3.17Å; N46-A48 VanDerWaalsContact C-N 3.31Å; N46-A48 PolarHBondContact O-N 2.96Å; A48-F50 VanDerWaalsContact C-N 3.28Å
49A54.5Low60Low81 Ų81109.8 Ų109.867%0.66962%0.619SS**Hα-helixtrans-70.9-24.8174.300000112.4A45 N46 L47 G51A45-A49 PolarHBondContact O-N 3.03Å; N46-A49 WeakPolarHBondContact O-CB 3.43Å; N46-A49 PolarHBondContact O-N 3.11Å; L47-A49 VanDerWaalsContact C-N 3.28Å; L47-A49 PolarHBondContact O-N 3.33Å; A49-G51 VanDerWaalsContact C-N 3.3Å; A49-G51 PolarHBondContact O-N 3.05Å
50F53Low60.2Low167 Ų167113.3 Ų113.373%0.73262%0.624SS**SBendtrans-7295.5161.1-61.9-79000106.6N46 L47 A48 K52N46-F50 WeakPolarHBondContact O-CD2 3.35Å; L47-F50 PolarHBondContact O-N 2.93Å; A48-F50 VanDerWaalsContact C-N 3.28Å; F50-K52 PolarHBondContact O-N 3.14Å
51G49.4Very low60.4Low62 Ų62111.1 Ų111.164%0.63962%0.616SS**  trans-41.3142.4-176.500000112.3A49A49-G51 VanDerWaalsContact C-N 3.3Å; A49-G51 PolarHBondContact O-N 3.05Å
52K60Low60.5Low198 Ų198106 Ų10686%0.86160%0.601SS**  trans-38129.8-175.1-63.1174.2-178.1-179.80110.7F50 S54F50-K52 PolarHBondContact O-N 3.14Å; K52-S54 PolarHBondContact O-N 3.2Å
53P58.2Low60.7Low123 Ų123109.1 Ų109.180%0.79961%0.609SS**  trans-52.8133.2178.221.2-31.4000108.9A55P53-A55 PolarHBondContact O-N 3.22Å
54S61Low60.8Low65 Ų65106.5 Ų106.546%0.45561%0.605SS.*  trans-55.5126.2-178.555.30000109.5K52 L56 L61K52-S54 PolarHBondContact O-N 3.2Å; S54-L56 PolarHBondContact O-N 3.4Å; S54-L61 WeakPolarHBondContact OG-CD1 3.09Å; S54-L61 WeakPolarHBondContact OG-CD2 2.98Å
55A67Low60.6Low110 Ų110108.1 Ų108.191%0.90961%0.606SS**SBendtrans-688.6177.700000113.9P53P53-A55 PolarHBondContact O-N 3.22Å
56L69.7Low60.7Low92 Ų92108.8 Ų108.848%0.48262%0.618SS.*SBendtrans-80139.3178.6-73.7162.8000109.8S54 K58 K60 L61S54-L56 PolarHBondContact O-N 3.4Å; L56-K58 PolarHBondContact O-N 3.26Å; L56-K60 HydrophobicContact CD2-CD 4.04Å; L56-L61 HydrophobicContact CB-CD1 4.29Å; L56-L61 HydrophobicContact CB-CG 4.16Å; L56-L61 WeakPolarHBondContact O-CD1 3.48Å
57P72.9Confident60.8Low77 Ų77109.3 Ų109.350%0.562%0.62SS.*  trans-59.4141.4173.324.8-32.7000110.1E59 K60 L61P57-E59 PolarHBondContact O-N 3.42Å; P57-K60 HydrophobicContact CG-CB 4.34Å; P57-K60 HydrophobicContact CG-CD 4.31Å; P57-K60 HydrophobicContact CG-CG 4.32Å; P57-K60 PolarHBondContact O-N 3.05Å; P57-L61 PolarHBondContact O-N 2.93Å
58K64.6Low60.7Low149 Ų149108.5 Ų108.565%0.64862%0.615SS**Hα-helixtrans-46.3-40-178.8-173.9176.4178.3-179.80112.4L56 K60 L61 M62L56-K58 PolarHBondContact O-N 3.26Å; K58-K60 VanDerWaalsContact C-N 3.33Å; K58-K60 PolarHBondContact O-N 3Å; K58-L61 WeakPolarHBondContact O-CB 3.47Å; K58-L61 PolarHBondContact O-N 2.99Å; K58-L61 VanDerWaalsContact O-N 3.15Å; K58-M62 HydrophobicContact CG-CG 4.11Å; K58-M62 HydrophobicContact CG-SD 4.25Å; K58-M62 VanDerWaalsContact O-CG 3.31Å; K58-M62 WeakPolarHBondContact O-CG 3.45Å; K58-M62 PolarHBondContact O-N 2.9Å
59E69.8Low60.5Low141 Ų141108.5 Ų108.566%0.65961%0.608SS**Hα-helixtrans-59.6-34.5177.3-64.8178.8-176.500114.7P57 R63P57-E59 PolarHBondContact O-N 3.42Å; E59-R63 WeakPolarHBondContact O-CG 3.26Å; E59-R63 PolarHBondContact O-N 2.94Å; E59-R63 PolarHBondContact O-NH1 2.83Å
60K67.6Low60.2Low129 Ų129112.2 Ų112.256%0.56162%0.615SS**Hα-helixtrans-74.8-36.5175.8-87.3-174.2177.3177.60111.4L56 P57 K58 R63L56-K60 HydrophobicContact CD2-CD 4.04Å; P57-K60 HydrophobicContact CG-CB 4.34Å; P57-K60 HydrophobicContact CG-CD 4.31Å; P57-K60 HydrophobicContact CG-CG 4.32Å; P57-K60 PolarHBondContact O-N 3.05Å; K58-K60 VanDerWaalsContact C-N 3.33Å; K58-K60 PolarHBondContact O-N 3Å; K60-R63 PolarHBondContact O-N 3.35Å
61L64.8Low60.1Low64 Ų64113.5 Ų113.534%0.33562%0.623SS.*Hα-helixtrans-64.8-45.8174.8-68.9153.2000110.5S54 L56 P57 K58 R63 S64S54-L61 WeakPolarHBondContact OG-CD1 3.09Å; S54-L61 WeakPolarHBondContact OG-CD2 2.98Å; L56-L61 HydrophobicContact CB-CD1 4.29Å; L56-L61 HydrophobicContact CB-CG 4.16Å; L56-L61 WeakPolarHBondContact O-CD1 3.48Å; P57-L61 PolarHBondContact O-N 2.93Å; K58-L61 WeakPolarHBondContact O-CB 3.47Å; K58-L61 PolarHBondContact O-N 2.99Å; K58-L61 VanDerWaalsContact O-N 3.15Å; L61-R63 VanDerWaalsContact C-N 3.29Å; L61-R63 PolarHBondContact O-N 2.67Å; L61-S64 PolarHBondContact O-N 3.23Å; L61-S64 VanDerWaalsContact O-N 3.09Å; L61-S64 PolarHBondContact O-OG 3.04Å
62M64.2Low60.4Low86 Ų86113.5 Ų113.542%0.42461%0.614SS.*Hα-helixtrans-67.9-23.5178.9-64.1-152.789.500113.8K58 S64 E65K58-M62 HydrophobicContact CG-CG 4.11Å; K58-M62 HydrophobicContact CG-SD 4.25Å; K58-M62 VanDerWaalsContact O-CG 3.31Å; K58-M62 WeakPolarHBondContact O-CG 3.45Å; K58-M62 PolarHBondContact O-N 2.9Å; M62-S64 PolarHBondContact O-N 3.21Å; M62-E65 VanDerWaalsContact CE-CD 3.48Å; M62-E65 WeakPolarHBondContact CE-OE2 3.33Å; M62-E65 WeakPolarHBondContact O-CB 3.46Å; M62-E65 PolarHBondContact O-N 2.96Å
63R63.9Low59.9Low163 Ų163107.3 Ų107.362%0.61561%0.607SS**THydrogen-bonded Turntrans-62.2-22.3171.7-82.4-178.8-171.293.8-5.4113E59 K60 L61E59-R63 WeakPolarHBondContact O-CG 3.26Å; E59-R63 PolarHBondContact O-N 2.94Å; E59-R63 PolarHBondContact O-NH1 2.83Å; K60-R63 PolarHBondContact O-N 3.35Å; L61-R63 VanDerWaalsContact C-N 3.29Å; L61-R63 PolarHBondContact O-N 2.67Å
64S57.9Low59.6Low73 Ų73104.1 Ų104.151%0.5159%0.585SS.*THydrogen-bonded Turntrans-88.4-13.9173.772.60000113.3L61 M62 G66 I67L61-S64 PolarHBondContact O-N 3.23Å; L61-S64 VanDerWaalsContact O-N 3.09Å; L61-S64 PolarHBondContact O-OG 3.04Å; M62-S64 PolarHBondContact O-N 3.21Å; S64-G66 PolarHBondContact O-N 3.21Å; S64-I67 PolarHBondContact O-N 2.77Å; S64-I67 VanDerWaalsContact O-N 3.08Å
65E55.9Low59.5Low135 Ų135107.2 Ų107.263%0.63160%0.596SS**THydrogen-bonded Turntrans-71.393.9176.6-67.9-174.6-158.800109.8M62M62-E65 VanDerWaalsContact CE-CD 3.48Å; M62-E65 WeakPolarHBondContact CE-OE2 3.33Å; M62-E65 WeakPolarHBondContact O-CB 3.46Å; M62-E65 PolarHBondContact O-N 2.96Å
66G58Low58.9Low73 Ų73110 Ų11075%0.75359%0.588SS**THydrogen-bonded Turntrans127.2-23.4-177.300000112.8S64 I68S64-G66 PolarHBondContact O-N 3.21Å; G66-I68 VanDerWaalsContact C-N 3.31Å; G66-I68 PolarHBondContact O-N 3.01Å
67I56.8Low58.3Low123 Ų123115 Ų11563%0.63160%0.602SS**  trans-88.581.3165.3-52.5175.2000106S64 P69S64-I67 PolarHBondContact O-N 2.77Å; S64-I67 VanDerWaalsContact O-N 3.08Å; I67-P69 WeakPolarHBondContact O-CD 3.16Å; I67-P69 VanDerWaalsContact O-N 3.09Å
68I52.1Low57.4Low92 Ų92114.7 Ų114.747%0.47261%0.605SS.*  trans-58.4116.8163.9-57.1178.9000105G66 I70 S72G66-I68 VanDerWaalsContact C-N 3.31Å; G66-I68 PolarHBondContact O-N 3.01Å; I68-I70 PolarHBondContact O-N 3.34Å; I68-S72 WeakPolarHBondContact CG2-O 3.5Å; I68-S72 WeakPolarHBondContact CG2-OG 3.44Å
69P48.9Very low56.8Low76 Ų76111.3 Ų111.349%0.49460%0.6SS.*  trans-44.9133.3173.5-25.830.2000108I67 Q71 S72I67-P69 WeakPolarHBondContact O-CD 3.16Å; I67-P69 VanDerWaalsContact O-N 3.09Å; P69-Q71 HydrophobicContact CB-CB 4.31Å; P69-Q71 PolarHBondContact O-N 2.98Å; P69-S72 VanDerWaalsContact CD-OG 3.26Å; P69-S72 WeakPolarHBondContact CD-OG 3.25Å; P69-S72 WeakPolarHBondContact O-CA 2.99Å; P69-S72 PolarHBondContact O-N 2.98Å; P69-S72 PolarHBondContact O-OG 3.15Å
70I49.3Very low56.3Low159 Ų159111.9 Ų111.982%0.81560%0.603SS**THydrogen-bonded Turntrans-51.6-23.3178.1-73.9171.7000111.3I68I68-I70 PolarHBondContact O-N 3.34Å
71Q51.2Low55.6Low193 Ų193115 Ų11590%0.90262%0.617SS**THydrogen-bonded Turntrans-63-37.7172.7-56.9-116.7-41.600113.9P69 G73P69-Q71 HydrophobicContact CB-CB 4.31Å; P69-Q71 PolarHBondContact O-N 2.98Å; Q71-G73 PolarHBondContact O-N 3.21Å
72S54.4Low55.1Low62 Ų62115.7 Ų115.743%0.43464%0.639SS.*SBendtrans-83.275.6169.424.40000108.5I68 P69 T74I68-S72 WeakPolarHBondContact CG2-O 3.5Å; I68-S72 WeakPolarHBondContact CG2-OG 3.44Å; P69-S72 VanDerWaalsContact CD-OG 3.26Å; P69-S72 WeakPolarHBondContact CD-OG 3.25Å; P69-S72 WeakPolarHBondContact O-CA 2.99Å; P69-S72 PolarHBondContact O-N 2.98Å; P69-S72 PolarHBondContact O-OG 3.15Å; S72-T74 PolarHBondContact O-N 3.23Å
73G49.7Very low54.7Low69 Ų69118.3 Ų118.371%0.71165%0.652SS**  trans-26.5100.8-173.100000114.9Q71 N75Q71-G73 PolarHBondContact O-N 3.21Å; G73-N75 PolarHBondContact O-N 2.92Å
74T52.7Low54.3Low55 Ų55113.5 Ų113.534%0.33764%0.641SS.*  trans-72.9123.5171.3177.10000108.8S72 K76S72-T74 PolarHBondContact O-N 3.23Å; T74-K76 PolarHBondContact O-N 3.3Å; T74-K76 WeakPolarHBondContact OG1-CB 3.27Å; T74-K76 PolarHBondContact OG1-N 3.3Å
75N57.4Low53.9Low130 Ų130112.5 Ų112.570%0.69564%0.642SS**G310 helixtrans-77.44.9176.364.2-14.3000113.1G73 Y77 A78G73-N75 PolarHBondContact O-N 2.92Å; N75-Y77 PolarHBondContact O-N 3.13Å; N75-Y77 VanDerWaalsContact O-N 3.1Å; N75-A78 HydrophobicContact CB-CB 4Å; N75-A78 WeakPolarHBondContact O-CB 3.32Å; N75-A78 PolarHBondContact O-N 3.39Å
76K56.2Low53.8Low169 Ų169117 Ų11774%0.73566%0.66SS**G310 helixtrans-57.2-29.6-178.5-172.1176.8-84.7-176.10112.4T74T74-K76 PolarHBondContact O-N 3.3Å; T74-K76 WeakPolarHBondContact OG1-CB 3.27Å; T74-K76 PolarHBondContact OG1-N 3.3Å
77Y57Low53.5Low197 Ų197117.3 Ų117.377%0.77366%0.664SS**G310 helixtrans-105.80.5174.9-49.8-67.4000113.5N75 S79N75-Y77 PolarHBondContact O-N 3.13Å; N75-Y77 VanDerWaalsContact O-N 3.1Å; Y77-S79 VanDerWaalsContact C-N 3.35Å; Y77-S79 PolarHBondContact O-N 2.99Å
78A54.1Low53.1Low70 Ų70120.3 Ų120.358%0.57967%0.667SS**  trans-77.888.8176.800000109.1N75 Q80N75-A78 HydrophobicContact CB-CB 4Å; N75-A78 WeakPolarHBondContact O-CB 3.32Å; N75-A78 PolarHBondContact O-N 3.39Å; A78-Q80 PolarHBondContact O-N 2.7Å
79S50.2Low53.1Low78 Ų78120.8 Ų120.855%0.54568%0.676SS.*  trans-67.6125.2170.3152.80000109.7Y77 K81Y77-S79 VanDerWaalsContact C-N 3.35Å; Y77-S79 PolarHBondContact O-N 2.99Å; S79-K81 PolarHBondContact O-N 2.89Å; S79-K81 VanDerWaalsContact O-N 3.13Å; S79-K81 WeakPolarHBondContact OG-CB 3.41Å; S79-K81 PolarHBondContact OG-N 2.84Å
80Q60.9Low53.2Low154 Ų154126.9 Ų126.972%0.7269%0.689SS**  trans-64.5-11.8170.4-167.5171.733.300112.4A78 G82 M83A78-Q80 PolarHBondContact O-N 2.7Å; Q80-G82 PolarHBondContact O-N 2.6Å; Q80-M83 HydrophobicContact CG-CB 4.14Å; Q80-M83 HydrophobicContact CG-SD 4.22Å; Q80-M83 WeakPolarHBondContact O-CB 3.47Å; Q80-M83 PolarHBondContact O-N 3.33Å
81K52.1Low53.3Low193 Ų193125.8 Ų125.884%0.83969%0.685SS**THydrogen-bonded Turntrans-60.9111.7176.3-154.9178.6-176.6179.20109.3S79S79-K81 PolarHBondContact O-N 2.89Å; S79-K81 VanDerWaalsContact O-N 3.13Å; S79-K81 WeakPolarHBondContact OG-CB 3.41Å; S79-K81 PolarHBondContact OG-N 2.84Å
82G54.9Low53.4Low79 Ų79120.3 Ų120.381%0.81467%0.665SS**THydrogen-bonded Turntrans101.3-10.4-17600000114.6Q80 T84Q80-G82 PolarHBondContact O-N 2.6Å; G82-T84 PolarHBondContact O-N 3.39Å; G82-T84 VanDerWaalsContact O-N 3.12Å
83M56.1Low53.3Low141 Ų141123 Ų12370%0.69567%0.673SS**  trans-71.6107.9168.2-73.6179.568.900109.1Q80 G85Q80-M83 HydrophobicContact CG-CB 4.14Å; Q80-M83 HydrophobicContact CG-SD 4.22Å; Q80-M83 WeakPolarHBondContact O-CB 3.47Å; Q80-M83 PolarHBondContact O-N 3.33Å; M83-G85 PolarHBondContact O-N 3.2Å
84T54.7Low53.4Low62 Ų62125.8 Ų125.838%0.3867%0.672SS.*PPolyproline II helixtrans-62.9131.9167.551.90000109G82 R88G82-T84 PolarHBondContact O-N 3.39Å; G82-T84 VanDerWaalsContact O-N 3.12Å; T84-R88 HydrophobicContact CG2-CB 4.37Å
85G49.3Very low53.4Low52 Ų52132.8 Ų132.854%0.53670%0.697SS.*PPolyproline II helixtrans-52.4153.217600000112.1M83 G87 R88M83-G85 PolarHBondContact O-N 3.2Å; G85-G87 PolarHBondContact O-N 3.09Å; G85-G87 VanDerWaalsContact O-N 3.17Å; G85-R88 PolarHBondContact O-N 2.92Å
86F54.1Low53.1Low229 Ų229131.4 Ų131.4100%1.00469%0.693SS**THydrogen-bonded Turntrans-47.5124.9175.2-106.3-89.6000110.2
87G50.5Low52.8Low80 Ų80132.7 Ų132.783%0.82570%0.699SS**THydrogen-bonded Turntrans91.4-6.4179.200000116.3G85G85-G87 PolarHBondContact O-N 3.09Å; G85-G87 VanDerWaalsContact O-N 3.17Å
88R49.2Very low52.3Low186 Ų186126.7 Ų126.770%0.70269%0.685SS**SBendtrans-71.7135.9167.9-107.4-161.9-172.4-127.53.9110T84 G85 R90T84-R88 HydrophobicContact CG2-CB 4.37Å; G85-R88 PolarHBondContact O-N 2.92Å; R88-R90 PolarHBondContact O-N 2.79Å
89P51.6Low52.5Low102 Ų102132.5 Ų132.566%0.66270%0.7SS**  trans-53.9126.3168.5-19.329.5000108.7D91P89-D91 PolarHBondContact O-N 3.08Å
90R52.2Low52.9Low204 Ų204136.4 Ų136.477%0.7772%0.715SS**  trans-76.4112.3166.9-61.5-179.6-158.6-112.43105R88 V92R88-R90 PolarHBondContact O-N 2.79Å; R90-V92 VanDerWaalsContact C-N 3.31Å; R90-V92 WeakPolarHBondContact O-CG2 3.28Å; R90-V92 PolarHBondContact O-N 3.3Å
91D50.6Low52.7Low136 Ų136135.4 Ų135.473%0.72771%0.714SS**  trans-64.997.8171.3-70.3-28.3000107.2P89 I93P89-D91 PolarHBondContact O-N 3.08Å; D91-I93 PolarHBondContact O-N 3.04Å
92V54Low53.2Low79 Ų79135.4 Ų135.448%0.47971%0.714SS.*  trans-76.40.9174.9-164.40000110.8R90 D94 L117R90-V92 VanDerWaalsContact C-N 3.31Å; R90-V92 WeakPolarHBondContact O-CG2 3.28Å; R90-V92 PolarHBondContact O-N 3.3Å; V92-D94 PolarHBondContact O-N 3.46Å; V92-L117 HydrophobicContact CG2-CD2 4.5Å
93I51.9Low53.4Low118 Ų118136.6 Ų136.661%0.60571%0.707SS**SBendtrans-77.284.3171.5-53.3177.6000106.4D91 K95D91-I93 PolarHBondContact O-N 3.04Å; I93-K95 PolarHBondContact O-N 2.78Å; I93-K95 VanDerWaalsContact O-N 3.1Å
94D50.7Low53.7Low127 Ų127134.1 Ų134.168%0.67970%0.696SS**  trans-46116.3177.6-78.2-36.7000110V92 V96V92-D94 PolarHBondContact O-N 3.46Å; D94-V96 HydrophobicContact CB-CB 4.42Å; D94-V96 PolarHBondContact O-N 2.77Å; D94-V96 VanDerWaalsContact O-N 3.16Å
95K53.7Low54.2Low203 Ų203139 Ų13988%0.88371%0.714SS**  trans-71.14.5166.2-66.9-178.8-178.4178.40112I93 K97I93-K95 PolarHBondContact O-N 2.78Å; I93-K95 VanDerWaalsContact O-N 3.1Å; K95-K97 PolarHBondContact O-N 2.9Å
96V50.1Low55.3Low100 Ų100140.3 Ų140.361%0.60671%0.709SS**  trans-81.4100176.2-172.80000107.6D94 C98D94-V96 HydrophobicContact CB-CB 4.42Å; D94-V96 PolarHBondContact O-N 2.77Å; D94-V96 VanDerWaalsContact O-N 3.16Å; V96-C98 VanDerWaalsContact C-N 3.32Å; V96-C98 PolarHBondContact O-N 2.94Å
97K50.3Low56Low197 Ų197136.9 Ų136.986%0.85770%0.696SS**  trans-67.394.2166.4-65-176.2179.6-175.70107.6K95 E99K95-K97 PolarHBondContact O-N 2.9Å; K97-E99 PolarHBondContact O-N 3.4Å
98C46.1Very low57Low71 Ų71137.2 Ų137.248%0.4869%0.686SS.*  trans-71.5113169-71.40000108.2V96 N100 L101V96-C98 VanDerWaalsContact C-N 3.32Å; V96-C98 PolarHBondContact O-N 2.94Å; C98-N100 PolarHBondContact O-N 2.69Å; C98-L101 HydrophobicContact CB-CD1 4Å; C98-L101 PolarHBondContact O-N 3.17Å
99E58.4Low57.9Low192 Ų192133.5 Ų133.590%0.89768%0.675SS**THydrogen-bonded Turntrans-59-20-178.8-61.8-171.7166.600113.4K97K97-E99 PolarHBondContact O-N 3.4Å
100N59.8Low58.7Low160 Ų160132 Ų13286%0.85666%0.661SS**THydrogen-bonded Turntrans-91.90-175.3-63.6-28.1000114.7C98C98-N100 PolarHBondContact O-N 2.69Å
101L56.7Low59.3Low132 Ų132128.1 Ų128.169%0.69165%0.651SS**SBendtrans-115.5124179.2-75.5157.1000109.5C98C98-L101 HydrophobicContact CB-CD1 4Å; C98-L101 PolarHBondContact O-N 3.17Å
102K62.1Low60.1Low193 Ų193124.5 Ų124.584%0.83964%0.636SS**  trans-59.1130172.5-74.4-177.4177.8179.10108.7I104K102-I104 PolarHBondContact O-N 3.08Å
103P59.9Low60.5Low105 Ų105125.6 Ų125.668%0.68264%0.639SS**  trans-58.8130.4172.724.4-31.3000108.7E105P103-E105 PolarHBondContact O-N 2.97Å
104I61.2Low61Low89 Ų89127.7 Ų127.746%0.45664%0.639SS.*  trans-76.2109173.4-60.9171000105.9K102 D106 K109 I110 L113K102-I104 PolarHBondContact O-N 3.08Å; I104-D106 HydrophobicContact CG2-CB 4.5Å; I104-K109 HydrophobicContact CG2-CB 3.71Å; I104-K109 HydrophobicContact CG2-CD 4.08Å; I104-I110 HydrophobicContact CG2-CG1 4.37Å; I104-I110 WeakPolarHBondContact O-CD1 3.13Å; I104-L113 HydrophobicContact CD1-CD1 3.88Å
105E65Low61.5Low164 Ų164127.2 Ų127.277%0.76664%0.637SS**  trans-87.4-16.7179-58.8-154.3163.400113P103 E107P103-E105 PolarHBondContact O-N 2.97Å; E105-E107 PolarHBondContact O-N 3.39Å; E105-E107 VanDerWaalsContact O-N 3.1Å
106D72.1Confident61.9Low79 Ų79122.1 Ų122.142%0.42262%0.622SS.*  trans-70.3107.4-179.8-64.5-35.1000111I104 S108 K109 I110I104-D106 HydrophobicContact CG2-CB 4.5Å; D106-S108 PolarHBondContact O-N 3.19Å; D106-S108 VanDerWaalsContact O-N 3.14Å; D106-K109 HydrophobicContact CB-CB 4.16Å; D106-K109 HydrophobicContact CB-CD 3.99Å; D106-K109 HydrophobicContact CB-CG 4.02Å; D106-K109 PolarHBondContact O-N 3Å; D106-K109 WeakPolarHBondContact OD2-CE 3.26Å; D106-K109 IonicContact OD2-NZ 3.5Å; D106-K109 PolarHBondContact OD2-NZ 3.26Å; D106-I110 PolarHBondContact O-N 3.42Å; D106-I110 VanDerWaalsContact O-N 3.09Å
107E69.6Low62Low157 Ų157121.5 Ų121.573%0.73462%0.615SS**Hα-helixtrans-53.3-36.4178.8-64.3-170.3161.100112.6E105 K109 I110 Q111E105-E107 PolarHBondContact O-N 3.39Å; E105-E107 VanDerWaalsContact O-N 3.1Å; E107-K109 PolarHBondContact O-N 2.85Å; E107-I110 PolarHBondContact O-N 3.15Å; E107-Q111 WeakPolarHBondContact O-CB 3.15Å; E107-Q111 PolarHBondContact O-N 3.31Å
108S72.3Confident62.2Low88 Ų88115 Ų11562%0.61559%0.594SS**Hα-helixtrans-64.3-36.7178.160.90000113.1D106 Q111 S112D106-S108 PolarHBondContact O-N 3.19Å; D106-S108 VanDerWaalsContact O-N 3.14Å; S108-Q111 PolarHBondContact O-N 3.35Å; S108-S112 PolarHBondContact O-N 3.32Å; S108-S112 PolarHBondContact O-OG 3.44Å
109K68.1Low62.4Low108 Ų108118.4 Ų118.447%0.4761%0.606SS.*Hα-helixtrans-74.3-36.9175.3-68.7179.8-174.4150.70111.2I104 D106 E107 Q111 S112 L113I104-K109 HydrophobicContact CG2-CB 3.71Å; I104-K109 HydrophobicContact CG2-CD 4.08Å; D106-K109 HydrophobicContact CB-CB 4.16Å; D106-K109 HydrophobicContact CB-CD 3.99Å; D106-K109 HydrophobicContact CB-CG 4.02Å; D106-K109 PolarHBondContact O-N 3Å; D106-K109 WeakPolarHBondContact OD2-CE 3.26Å; D106-K109 IonicContact OD2-NZ 3.5Å; D106-K109 PolarHBondContact OD2-NZ 3.26Å; E107-K109 PolarHBondContact O-N 2.85Å; K109-Q111 VanDerWaalsContact C-N 3.27Å; K109-Q111 PolarHBondContact O-N 3.29Å; K109-S112 PolarHBondContact O-N 2.86Å; K109-S112 PolarHBondContact O-OG 2.71Å; K109-L113 WeakPolarHBondContact O-CB 3.47Å; K109-L113 VanDerWaalsContact O-CG 3.28Å; K109-L113 WeakPolarHBondContact O-CG 3.31Å; K109-L113 PolarHBondContact O-N 3.05Å
110I67.6Low62.1Low71 Ų71118.2 Ų118.236%0.36461%0.605SS.*Hα-helixtrans-61.9-41.4173.5-62.2172.3000109.8I104 D106 E107 L113 R114I104-I110 HydrophobicContact CG2-CG1 4.37Å; I104-I110 WeakPolarHBondContact O-CD1 3.13Å; D106-I110 PolarHBondContact O-N 3.42Å; D106-I110 VanDerWaalsContact O-N 3.09Å; E107-I110 PolarHBondContact O-N 3.15Å; I110-L113 PolarHBondContact O-N 3.09Å; I110-R114 VanDerWaalsContact O-CG 3.26Å; I110-R114 WeakPolarHBondContact O-CG 3.39Å; I110-R114 PolarHBondContact O-N 3.21Å
111Q65.5Low61.9Low122 Ų122113.3 Ų113.357%0.5758%0.583SS**Hα-helixtrans-68.2-43.6-179.4-144.7149.33.600111.9E107 S108 K109 L113 R114 D115E107-Q111 WeakPolarHBondContact O-CB 3.15Å; E107-Q111 PolarHBondContact O-N 3.31Å; S108-Q111 PolarHBondContact O-N 3.35Å; K109-Q111 VanDerWaalsContact C-N 3.27Å; K109-Q111 PolarHBondContact O-N 3.29Å; Q111-L113 VanDerWaalsContact C-N 3.33Å; Q111-L113 PolarHBondContact O-N 3.01Å; Q111-R114 WeakPolarHBondContact O-CB 3.37Å; Q111-R114 PolarHBondContact O-N 3.24Å; Q111-R114 VanDerWaalsContact O-N 3.11Å; Q111-D115 PolarHBondContact O-N 3.2Å
112S66.6Low61.4Low59 Ų59109.7 Ų109.741%0.41358%0.578SS.*Hα-helixtrans-64.7-35.3175.166.40000112.9S108 K109 R114 D115 V116S108-S112 PolarHBondContact O-N 3.32Å; S108-S112 PolarHBondContact O-OG 3.44Å; K109-S112 PolarHBondContact O-N 2.86Å; K109-S112 PolarHBondContact O-OG 2.71Å; S112-R114 VanDerWaalsContact C-N 3.32Å; S112-R114 PolarHBondContact O-N 2.77Å; S112-D115 PolarHBondContact O-N 2.8Å; S112-V116 WeakPolarHBondContact O-CB 3.23Å; S112-V116 VanDerWaalsContact O-CG2 3.23Å; S112-V116 WeakPolarHBondContact O-CG2 3.31Å; S112-V116 PolarHBondContact O-N 3.15Å
113L63.6Low60.8Low103 Ų103102.4 Ų102.454%0.53955%0.55SS..Hα-helixtrans-67.5-30.3173-74.3167.6000112.9I104 K109 I110 Q111 V116I104-L113 HydrophobicContact CD1-CD1 3.88Å; K109-L113 WeakPolarHBondContact O-CB 3.47Å; K109-L113 VanDerWaalsContact O-CG 3.28Å; K109-L113 WeakPolarHBondContact O-CG 3.31Å; K109-L113 PolarHBondContact O-N 3.05Å; I110-L113 PolarHBondContact O-N 3.09Å; Q111-L113 VanDerWaalsContact C-N 3.33Å; Q111-L113 PolarHBondContact O-N 3.01Å; L113-V116 CarbonylContact O-C 3.48Å
114R62.4Low60.6Low161 Ų161103.3 Ų103.361%0.60855%0.549SS*.Hα-helixtrans-71.1-36.2173.8-69.717094.5168.18.1111.7I110 Q111 S112I110-R114 VanDerWaalsContact O-CG 3.26Å; I110-R114 WeakPolarHBondContact O-CG 3.39Å; I110-R114 PolarHBondContact O-N 3.21Å; Q111-R114 WeakPolarHBondContact O-CB 3.37Å; Q111-R114 PolarHBondContact O-N 3.24Å; Q111-R114 VanDerWaalsContact O-N 3.11Å; S112-R114 VanDerWaalsContact C-N 3.32Å; S112-R114 PolarHBondContact O-N 2.77Å
115D61.3Low60.3Low118 Ų118105.9 Ų105.963%0.63156%0.557SS**Hα-helixtrans-77.2-33.3178.2-65.6-24.4000112.3Q111 S112 L117Q111-D115 PolarHBondContact O-N 3.2Å; S112-D115 PolarHBondContact O-N 2.8Å; D115-L117 VanDerWaalsContact C-N 3.28Å; D115-L117 PolarHBondContact O-N 3.13Å
116V60.8Low59.7Low95 Ų95108 Ų10858%0.57656%0.564SS**  trans-8968173.4-1730000108.7S112 L113 P118S112-V116 WeakPolarHBondContact O-CB 3.23Å; S112-V116 VanDerWaalsContact O-CG2 3.23Å; S112-V116 WeakPolarHBondContact O-CG2 3.31Å; S112-V116 PolarHBondContact O-N 3.15Å; L113-V116 CarbonylContact O-C 3.48Å; V116-P118 WeakPolarHBondContact O-CD 2.98Å; V116-P118 VanDerWaalsContact O-N 3.17Å
117L52.8Low58.7Low87 Ų87106.9 Ų106.946%0.45557%0.565SS.*  trans-59.7121157.5-73.4175.1000107.1V92 D115 L119 T123V92-L117 HydrophobicContact CG2-CD2 4.5Å; D115-L117 VanDerWaalsContact C-N 3.28Å; D115-L117 PolarHBondContact O-N 3.13Å; L117-L119 PolarHBondContact O-N 3.01Å; L117-T123 HydrophobicContact CB-CG2 4.48Å
118P53.7Low57.8Low62 Ų62103.6 Ų103.640%0.40356%0.56SS.*  trans-56.1132.6-17220.9-32.4000109.1V116 Q120 S121V116-P118 WeakPolarHBondContact O-CD 2.98Å; V116-P118 VanDerWaalsContact O-N 3.17Å; P118-Q120 PolarHBondContact O-N 3.44Å; P118-S121 WeakPolarHBondContact O-CA 3.49Å; P118-S121 WeakPolarHBondContact O-CB 3.46Å; P118-S121 PolarHBondContact O-N 3.24Å; P118-S121 PolarHBondContact O-OG 3.34Å
119L51.6Low57.2Low142 Ų142106.9 Ų106.974%0.74357%0.566SS**THydrogen-bonded Turntrans-54-25.7178.1-96.894.2000112.3L117 S121 G122L117-L119 PolarHBondContact O-N 3.01Å; L119-S121 PolarHBondContact O-N 3.39Å; L119-G122 PolarHBondContact O-N 3.12Å; L119-G122 VanDerWaalsContact O-N 3.16Å
120Q52.7Low56.6Low188 Ų188111 Ų11188%0.87958%0.584SS**THydrogen-bonded Turntrans-57.8-25.3173.4-64.5-62-52.200112.7P118 G122P118-Q120 PolarHBondContact O-N 3.44Å; Q120-G122 PolarHBondContact O-N 3.21Å
121S54.2Low56Low56 Ų56111.3 Ų111.339%0.39260%0.604SS.*THydrogen-bonded Turntrans-79.542.7169.869.90000112.6P118 L119 T123P118-S121 WeakPolarHBondContact O-CA 3.49Å; P118-S121 WeakPolarHBondContact O-CB 3.46Å; P118-S121 PolarHBondContact O-N 3.24Å; P118-S121 PolarHBondContact O-OG 3.34Å; L119-S121 PolarHBondContact O-N 3.39Å; S121-T123 WeakPolarHBondContact O-CA 3.46Å; S121-T123 PolarHBondContact O-N 2.89Å
122G46.8Very low55.6Low56 Ų56112.5 Ų112.558%0.57761%0.611SS**THydrogen-bonded Turntrans36.552.6169.900000113.8L119 Q120 N124L119-G122 PolarHBondContact O-N 3.12Å; L119-G122 VanDerWaalsContact O-N 3.16Å; Q120-G122 PolarHBondContact O-N 3.21Å; G122-N124 PolarHBondContact O-N 3.01Å
123T50.3Low55.2Low41 Ų41112.6 Ų112.625%0.25261%0.61SS.*  trans-69111.7-163.565.90000109.5L117 S121 K125L117-T123 HydrophobicContact CB-CG2 4.48Å; S121-T123 WeakPolarHBondContact O-CA 3.46Å; S121-T123 PolarHBondContact O-N 2.89Å; T123-K125 PolarHBondContact O-N 3.22Å
124N53.7Low54.9Low124 Ų124109.8 Ų109.866%0.66361%0.606SS**THydrogen-bonded Turntrans-71.231.5177.6-76.8-22.5000113.3G122 F126 A127G122-N124 PolarHBondContact O-N 3.01Å; N124-F126 PolarHBondContact O-N 3.23Å; N124-A127 HydrophobicContact CB-CB 3.76Å; N124-A127 CarbonylContact O-C 3.53Å; N124-A127 PolarHBondContact O-N 3.36Å
125K55.2Low54.7Low143 Ų143112.8 Ų112.862%0.62262%0.623SS**THydrogen-bonded Turntrans-54.6-30.9-179.3-74.8-174.9179.8-177.60112.1T123T123-K125 PolarHBondContact O-N 3.22Å
126F52.5Low54.3Low208 Ų208110.6 Ų110.691%0.91263%0.629SS**SBendtrans-104.2-9.4175.3-53.5-69.5000113.9N124 S128N124-F126 PolarHBondContact O-N 3.23Å; F126-S128 PolarHBondContact O-N 3.02Å
127A51.6Low54Low55 Ų55109.4 Ų109.446%0.45562%0.624SS.*  trans-92.183.217800000109.3N124 Q129N124-A127 HydrophobicContact CB-CB 3.76Å; N124-A127 CarbonylContact O-C 3.53Å; N124-A127 PolarHBondContact O-N 3.36Å; A127-Q129 PolarHBondContact O-N 2.89Å
128S50.4Low54Low89 Ų89111.1 Ų111.162%0.62264%0.64SS**  trans-63.9119.3170.7175.60000110.2F126 K130F126-S128 PolarHBondContact O-N 3.02Å; S128-K130 PolarHBondContact O-N 3.49Å; S128-K130 WeakPolarHBondContact OG-CB 3.34Å; S128-K130 PolarHBondContact OG-N 2.92Å; S128-K130 VanDerWaalsContact OG-N 3.14Å
129Q60.7Low54.2Low157 Ų157117 Ų11773%0.73465%0.654SS**  trans-68.6-5167.3-164.9-179.638.600112A127 G131 M132A127-Q129 PolarHBondContact O-N 2.89Å; Q129-G131 PolarHBondContact O-N 3.04Å; Q129-M132 HydrophobicContact CG-CB 4.05Å; Q129-M132 PolarHBondContact O-N 3.18Å
130K54.7Low54.3Low195 Ų195114.8 Ų114.885%0.84864%0.643SS**THydrogen-bonded Turntrans-62.8107.7-178.1-152.9-177.8-165.2-175.60109.1S128S128-K130 PolarHBondContact O-N 3.49Å; S128-K130 WeakPolarHBondContact OG-CB 3.34Å; S128-K130 PolarHBondContact OG-N 2.92Å; S128-K130 VanDerWaalsContact OG-N 3.14Å
131G54.8Low54.5Low77 Ų77112 Ų11279%0.79464%0.638SS**THydrogen-bonded Turntrans103.7-10.3-176.800000114.9Q129 T133Q129-G131 PolarHBondContact O-N 3.04Å; G131-T133 PolarHBondContact O-N 3.22Å
132M58.3Low54.2Low147 Ų147113.8 Ų113.872%0.72464%0.643SS**  trans-81.3104175.1-162.5174.2-17700109.6Q129Q129-M132 HydrophobicContact CG-CB 4.05Å; Q129-M132 PolarHBondContact O-N 3.18Å
133T57.4Low54.3Low61 Ų61118.2 Ų118.237%0.37465%0.653SS.*PPolyproline II helixtrans-70.6134.7171.143.70000109.5G131G131-T133 PolarHBondContact O-N 3.22Å
134G56.7Low54Low44 Ų44121.9 Ų121.945%0.45467%0.666SS.*PPolyproline II helixtrans-56.3154.6177.800000111.9G136 C137G134-G136 PolarHBondContact O-N 3.31Å; G134-G136 VanDerWaalsContact O-N 3.15Å; G134-C137 WeakPolarHBondContact O-CB 3.45Å; G134-C137 PolarHBondContact O-N 3.07Å
135F57.7Low53.7Low224 Ų224121.6 Ų121.698%0.98267%0.668SS**THydrogen-bonded Turntrans-56.2122.7174.1-174.3-99.7000109.6
136G53.5Low53.1Low72 Ų72122.6 Ų122.674%0.74267%0.673SS**THydrogen-bonded Turntrans91.3-5.7-177.200000115.7G134G134-G136 PolarHBondContact O-N 3.31Å; G134-G136 VanDerWaalsContact O-N 3.15Å
137C55.6Low52.7Low70 Ų70116.9 Ų116.947%0.47367%0.673SS.*PPolyproline II helixtrans-70.5133.9169.7-90.50000110.4G134 R139G134-C137 WeakPolarHBondContact O-CB 3.45Å; G134-C137 PolarHBondContact O-N 3.07Å; C137-R139 PolarHBondContact O-N 3.19Å
138P52.9Low52.2Low123 Ų123120.3 Ų120.380%0.79969%0.688SS**PPolyproline II helixtrans-60.4123.6171.825.1-31.5000108.8
139R56.4Low51.9Low186 Ų186119 Ų11970%0.70269%0.689SS**PPolyproline II helixtrans-79.8126.5171.4-62.9-171.9-179.699.70.8107.4C137 V141C137-R139 PolarHBondContact O-N 3.19Å; R139-V141 VanDerWaalsContact C-N 3.32Å; R139-V141 PolarHBondContact O-N 2.73Å
140D54.3Low51Low95 Ų95115.9 Ų115.951%0.50870%0.699SS.*  trans-72.992.5175.4-137.1-8.1000107.2I142 K144D140-I142 PolarHBondContact O-N 3.25Å; D140-K144 VanDerWaalsContact OD2-CE 3.26Å; D140-K144 WeakPolarHBondContact OD2-CE 3.45Å; D140-K144 IonicContact OD2-NZ 2.98Å; D140-K144 PolarHBondContact OD2-NZ 3.47Å
141V56.7Low50.6Low128 Ų128111.8 Ų111.878%0.77669%0.69SS**  trans-72.1-14.6177.2-178.50000110.7R139 N143R139-V141 VanDerWaalsContact C-N 3.32Å; R139-V141 PolarHBondContact O-N 2.73Å; V141-N143 PolarHBondContact O-N 3.03Å; V141-N143 VanDerWaalsContact O-N 3.17Å
142I48.9Very low50.4Low94 Ų94110.9 Ų110.948%0.48268%0.681SS.*SBendtrans-75.7109.9174.9-55.2175.8000106.6D140 K144D140-I142 PolarHBondContact O-N 3.25Å; I142-K144 PolarHBondContact O-N 3.18Å
143N47.2Very low50.3Low149 Ų149112.8 Ų112.880%0.79769%0.688SS**  trans-54.285.8165.6-71-20.6000108.3V141 T145V141-N143 PolarHBondContact O-N 3.03Å; V141-N143 VanDerWaalsContact O-N 3.17Å; N143-T145 PolarHBondContact O-N 3.07Å; N143-T145 VanDerWaalsContact O-N 3.08Å
144K45.2Very low50.3Low119 Ų119114.4 Ų114.452%0.51769%0.694SS.*  trans-69.5110.6170.2-76.1179.4179158.90105.5D140 I142 K146D140-K144 VanDerWaalsContact OD2-CE 3.26Å; D140-K144 WeakPolarHBondContact OD2-CE 3.45Å; D140-K144 IonicContact OD2-NZ 2.98Å; D140-K144 PolarHBondContact OD2-NZ 3.47Å; I142-K144 PolarHBondContact O-N 3.18Å; K144-K146 PolarHBondContact O-N 2.76Å
145T46.6Very low50.8Low117 Ų117118.1 Ų118.172%0.71870%0.699SS**SBendtrans-58.91.1171.647.80000113.5N143N143-T145 PolarHBondContact O-N 3.07Å; N143-T145 VanDerWaalsContact O-N 3.08Å
146K43.3Very low51.2Low165 Ų165114.8 Ų114.872%0.71769%0.686SS**SBendtrans-130114.9178.9-65.7-168.7176.8-174.30112K144 T148K144-K146 PolarHBondContact O-N 2.76Å; K146-T148 PolarHBondContact O-N 2.85Å
147G42.8Very low51.8Low88 Ų88118.5 Ų118.591%0.90769%0.685SS**SBendtrans86.1-3.2144.700000118.4
148T42.5Very low52.2Low126 Ų126121.6 Ų121.677%0.77369%0.69SS**SBendtrans-125.186.5179.1-42.50000110.7K146K146-T148 PolarHBondContact O-N 2.85Å
149G43.1Very low52.5Low63 Ų63117.9 Ų117.965%0.64967%0.669SS**SBendtrans100.761.7168.300000116T151G149-T151 VanDerWaalsContact C-N 3.25Å; G149-T151 PolarHBondContact O-N 3.07Å
150G42.2Very low53.1Low91 Ų91116.3 Ų116.394%0.93867%0.668SS**SBendtrans70.8-11.514400000119.7G152G150-G152 PolarHBondContact O-N 3.31Å
151T45.8Very low53.5Low108 Ų108115.2 Ų115.266%0.66367%0.672SS**  trans-86.1106.6171.131.90000108.6G149G149-T151 VanDerWaalsContact C-N 3.25Å; G149-T151 PolarHBondContact O-N 3.07Å
152G51.1Low53.6Low59 Ų59113.4 Ų113.461%0.60866%0.661SS**  trans-56.8176.1169.200000111.9G150 I154G150-G152 PolarHBondContact O-N 3.31Å; G152-I154 PolarHBondContact O-N 3.2Å
153E56.5Low54Low186 Ų186115.7 Ų115.787%0.86967%0.674SS**  trans-51.2113.8176.7-73.6-179.116200110.1
154I57.9Low54.7Low96 Ų96112 Ų11249%0.49267%0.671SS.*  trans-80.9124.4172.1-58.5175.6000105.7G152 E156 K158 A159G152-I154 PolarHBondContact O-N 3.2Å; I154-E156 PolarHBondContact O-N 2.79Å; I154-K158 HydrophobicContact CG2-CB 3.64Å; I154-A159 HydrophobicContact CG2-CB 4.48Å
155E67.7Low55.4Low122 Ų122111 Ų11157%0.5768%0.675SS**  trans-49.4131.5171.7-172.7170.3-15700110.5E157 K158 A159E155-E157 PolarHBondContact O-N 2.96Å; E155-K158 PolarHBondContact O-N 3.22Å; E155-A159 PolarHBondContact O-N 2.89Å
156E64.4Low55.7Low153 Ų153111.5 Ų111.572%0.71567%0.672SS**Hα-helixtrans-55.2-30-170.3-73.4-170.8165.300113.2I154 A159 K160I154-E156 PolarHBondContact O-N 2.79Å; E156-A159 PolarHBondContact O-N 3.46Å; E156-K160 WeakPolarHBondContact O-CB 3.44Å; E156-K160 PolarHBondContact O-N 3.34Å
157E66.8Low56.3Low151 Ų151107.7 Ų107.771%0.70666%0.664SS**Hα-helixtrans-62.6-41.1175.2-71.1-166.9159.200112.7E155 K160 A161E155-E157 PolarHBondContact O-N 2.96Å; E157-K160 PolarHBondContact O-N 3.2Å; E157-A161 PolarHBondContact O-N 3.27Å
158K64.9Low56.8Low135 Ų135110.1 Ų110.159%0.58766%0.656SS**Hα-helixtrans-72.2-36.2177-69.4179.7-1761690111.5I154 E155 A161 T162I154-K158 HydrophobicContact CG2-CB 3.64Å; E155-K158 PolarHBondContact O-N 3.22Å; K158-A161 PolarHBondContact O-N 2.97Å; K158-T162 PolarHBondContact O-N 2.94Å
159A58.8Low57.5Low44 Ų44113 Ų11336%0.36466%0.661SS.*Hα-helixtrans-63.1-43.4174.200000111.1I154 E155 E156 A161 T162 D163I154-A159 HydrophobicContact CG2-CB 4.48Å; E155-A159 PolarHBondContact O-N 2.89Å; E156-A159 PolarHBondContact O-N 3.46Å; A159-A161 VanDerWaalsContact C-N 3.34Å; A159-A161 PolarHBondContact O-N 3.21Å; A159-T162 PolarHBondContact O-N 3.48Å; A159-T162 PolarHBondContact O-OG1 3.49Å; A159-D163 PolarHBondContact O-N 2.98Å
160K67.6Low58.1Low154 Ų154112.5 Ų112.567%0.6765%0.65SS**Hα-helixtrans-62.4-37.3172.6-81.8179.9177.7171.90112.9E156 E157 T162 D163E156-K160 WeakPolarHBondContact O-CB 3.44Å; E156-K160 PolarHBondContact O-N 3.34Å; E157-K160 PolarHBondContact O-N 3.2Å; K160-T162 PolarHBondContact O-N 2.93Å; K160-D163 VanDerWaalsContact O-CB 3.3Å; K160-D163 WeakPolarHBondContact O-CB 3.43Å; K160-D163 PolarHBondContact O-N 3.33Å; K160-D163 VanDerWaalsContact O-N 3.07Å
161A63Low58.5Low72 Ų72111 Ų11160%0.59564%0.635SS**Hα-helixtrans-65.2-27.5176.900000113E157 K158 A159E157-A161 PolarHBondContact O-N 3.27Å; K158-A161 PolarHBondContact O-N 2.97Å; A159-A161 VanDerWaalsContact C-N 3.34Å; A159-A161 PolarHBondContact O-N 3.21Å
162T59.8Low58.8Low90 Ų90108.6 Ų108.655%0.55262%0.62SS**Hα-helixtrans-85.5-12.7173.259.20000113.5K158 A159 K160 G164 V165K158-T162 PolarHBondContact O-N 2.94Å; A159-T162 PolarHBondContact O-N 3.48Å; A159-T162 PolarHBondContact O-OG1 3.49Å; K160-T162 PolarHBondContact O-N 2.93Å; T162-G164 PolarHBondContact O-N 2.74Å; T162-V165 PolarHBondContact O-N 2.83Å
163D56.9Low59.1Low141 Ų141112 Ų11275%0.75462%0.624SS**THydrogen-bonded Turntrans-67.6117.6176.1-160.311.6000109A159 K160A159-D163 PolarHBondContact O-N 2.98Å; K160-D163 VanDerWaalsContact O-CB 3.3Å; K160-D163 WeakPolarHBondContact O-CB 3.43Å; K160-D163 PolarHBondContact O-N 3.33Å; K160-D163 VanDerWaalsContact O-N 3.07Å
164G61.3Low59.2Low71 Ų71112.4 Ų112.473%0.73262%0.623SS**THydrogen-bonded Turntrans92-12.3-170.500000115.7T162 I166T162-G164 PolarHBondContact O-N 2.74Å; G164-I166 PolarHBondContact O-N 3.43Å; G164-I166 VanDerWaalsContact O-N 3.15Å
165V61.1Low59.3Low100 Ų100115.7 Ų115.761%0.60664%0.641SS**  trans-86.184.9171.2-174.50000108.7T162 P167T162-V165 PolarHBondContact O-N 2.83Å; V165-P167 WeakPolarHBondContact O-CD 3.3Å
166I53.3Low58.6Low126 Ų126113.1 Ų113.165%0.64664%0.64SS**  trans-67.1117168.2-60.9179.5000106.8G164 L168 A170G164-I166 PolarHBondContact O-N 3.43Å; G164-I166 VanDerWaalsContact O-N 3.15Å; I166-L168 PolarHBondContact O-N 3.23Å; I166-A170 HydrophobicContact CG2-CB 3.43Å; I166-A170 VanDerWaalsContact CG2-CB 3.43Å; I166-A170 WeakPolarHBondContact CG2-O 3.34Å
167P55.1Low58Low85 Ų85110.1 Ų110.155%0.55264%0.636SS**  trans-56135.4177.522.3-31.6000108.3V165 Q169 A170V165-P167 WeakPolarHBondContact O-CD 3.3Å; P167-Q169 PolarHBondContact O-N 3.19Å; P167-A170 HydrophobicContact CG-CB 4.44Å; P167-A170 WeakPolarHBondContact O-CA 3.46Å; P167-A170 WeakPolarHBondContact O-CB 3.46Å; P167-A170 PolarHBondContact O-N 3.34Å
168L54.3Low57.7Low140 Ų140110.4 Ų110.473%0.73364%0.638SS**THydrogen-bonded Turntrans-48.6-25.1-178.8-101.9126.8000114.3I166 A170 T172I166-L168 PolarHBondContact O-N 3.23Å; L168-A170 VanDerWaalsContact C-N 3.33Å; L168-T172 HydrophobicContact CD2-CG2 3.69Å; L168-T172 HydrophobicContact CG-CG2 4.11Å
169Q56Low57.2Low187 Ų187108.1 Ų108.187%0.87464%0.643SS**THydrogen-bonded Turntrans-65.7-31174.8-62.1-61.2-47.800113.3P167 G171P167-Q169 PolarHBondContact O-N 3.19Å; Q169-G171 PolarHBondContact O-N 2.98Å
170A55.7Low57.1Low52 Ų52109.8 Ų109.843%0.4367%0.665SS.*THydrogen-bonded Turntrans-79.184.5162.100000106.5I166 P167 L168 T172I166-A170 HydrophobicContact CG2-CB 3.43Å; I166-A170 VanDerWaalsContact CG2-CB 3.43Å; I166-A170 WeakPolarHBondContact CG2-O 3.34Å; P167-A170 HydrophobicContact CG-CB 4.44Å; P167-A170 WeakPolarHBondContact O-CA 3.46Å; P167-A170 WeakPolarHBondContact O-CB 3.46Å; P167-A170 PolarHBondContact O-N 3.34Å; L168-A170 VanDerWaalsContact C-N 3.33Å; A170-T172 PolarHBondContact O-N 3.47Å; A170-T172 VanDerWaalsContact O-N 3.13Å
171G50.3Low56.8Low59 Ų59109.8 Ų109.861%0.60867%0.669SS**THydrogen-bonded Turntrans-23.4109.3-171.200000114.4Q169 N173Q169-G171 PolarHBondContact O-N 2.98Å; G171-N173 PolarHBondContact O-N 3.02Å; G171-N173 PolarHBondContact O-OD1 2.97Å
172T51.9Low56.5Low57 Ų57109.8 Ų109.835%0.3566%0.662SS.*  trans-71.3125174.9165.20000109.9L168 A170 K174L168-T172 HydrophobicContact CD2-CG2 3.69Å; L168-T172 HydrophobicContact CG-CG2 4.11Å; A170-T172 PolarHBondContact O-N 3.47Å; A170-T172 VanDerWaalsContact O-N 3.13Å; T172-K174 PolarHBondContact O-N 3.45Å; T172-K174 WeakPolarHBondContact OG1-CG 3.38Å; T172-K174 PolarHBondContact OG1-N 3.13Å
173N58Low56.4Low130 Ų130107.6 Ų107.670%0.69566%0.657SS**G310 helixtrans-75.2-1.2179.4-54.4-16.8000112.9G171 L175 A176G171-N173 PolarHBondContact O-N 3.02Å; G171-N173 PolarHBondContact O-OD1 2.97Å; N173-L175 PolarHBondContact O-N 3.15Å; N173-L175 VanDerWaalsContact O-N 3.11Å; N173-A176 HydrophobicContact CB-CB 4.34Å; N173-A176 PolarHBondContact O-N 3.13Å
174K58.2Low56.3Low195 Ų195111.9 Ų111.985%0.84867%0.67SS**G310 helixtrans-59.1-27.9-175.6-72.4-173178.9-177.10113.1T172T172-K174 PolarHBondContact O-N 3.45Å; T172-K174 WeakPolarHBondContact OG1-CG 3.38Å; T172-K174 PolarHBondContact OG1-N 3.13Å
175L59.5Low55.9Low166 Ų166112.3 Ų112.387%0.86967%0.674SS**G310 helixtrans-108-1.1176.1-59.2175.2000112.7N173 S177N173-L175 PolarHBondContact O-N 3.15Å; N173-L175 VanDerWaalsContact O-N 3.11Å; L175-S177 PolarHBondContact O-N 3.02Å; L175-S177 VanDerWaalsContact O-N 3.14Å
176A53.9Low55.4Low67 Ų67113.4 Ų113.455%0.55467%0.674SS**  trans-83.493.117800000108.8N173 Q178N173-A176 HydrophobicContact CB-CB 4.34Å; N173-A176 PolarHBondContact O-N 3.13Å; A176-Q178 PolarHBondContact O-N 2.98Å
177S50.8Low55.5Low91 Ų91112.5 Ų112.564%0.63668%0.677SS**  trans-65127.9168.6172.10000110L175 A179L175-S177 PolarHBondContact O-N 3.02Å; L175-S177 VanDerWaalsContact O-N 3.14Å; S177-A179 PolarHBondContact O-N 3.49Å; S177-A179 WeakPolarHBondContact OG-CB 3.5Å; S177-A179 PolarHBondContact OG-N 3.21Å
178Q61.1Low55.5Low157 Ų157118.3 Ų118.373%0.73469%0.688SS**  trans-72.9-6168.9-167.9176.613.900111.9A176 G180 M181A176-Q178 PolarHBondContact O-N 2.98Å; Q178-G180 PolarHBondContact O-N 3.15Å; Q178-G180 VanDerWaalsContact O-N 3.13Å; Q178-M181 HydrophobicContact CG-CB 4.18Å; Q178-M181 PolarHBondContact O-N 3.41Å
179A55.2Low55.5Low86 Ų86116 Ų11671%0.71168%0.683SS**THydrogen-bonded Turntrans-59.4120.8-179.500000110.1S177S177-A179 PolarHBondContact O-N 3.49Å; S177-A179 WeakPolarHBondContact OG-CB 3.5Å; S177-A179 PolarHBondContact OG-N 3.21Å
180G57Low55.5Low80 Ų80112.7 Ų112.783%0.82568%0.675SS**THydrogen-bonded Turntrans92.4-6.9-178.100000115.5Q178 T182Q178-G180 PolarHBondContact O-N 3.15Å; Q178-G180 VanDerWaalsContact O-N 3.13Å; G180-T182 PolarHBondContact O-N 3Å
181M60Low55.1Low153 Ų153117 Ų11775%0.75469%0.691SS**  trans-73.7113.2169.5-96.7-170.4174.500110.3Q178 G183Q178-M181 HydrophobicContact CG-CB 4.18Å; Q178-M181 PolarHBondContact O-N 3.41Å; M181-G183 PolarHBondContact O-N 3.2Å
182T58.1Low55Low73 Ų73120.5 Ų120.545%0.44869%0.691SS.*PPolyproline II helixtrans-67.2128168.9-7.50000108.4G180 M186G180-T182 PolarHBondContact O-N 3Å; T182-M186 HydrophobicContact CG2-CB 3.74Å
183G57.4Low54.9Low43 Ų43128.5 Ų128.544%0.44372%0.715SS.*PPolyproline II helixtrans-54.4151.7179.400000112.3M181 G185 M186M181-G183 PolarHBondContact O-N 3.2Å; G183-G185 PolarHBondContact O-N 3.01Å; G183-M186 WeakPolarHBondContact O-CB 3.43Å; G183-M186 PolarHBondContact O-N 3.19Å
184F54.8Low54.4Low231 Ų231130.3 Ų130.3100%1.01372%0.717SS**THydrogen-bonded Turntrans-52.7125.6174-101.6-86.8000110.3M186F184-M186 VanDerWaalsContact C-N 3.32Å
185G53.3Low54.2Low81 Ų81125.5 Ų125.584%0.83570%0.7SS**THydrogen-bonded Turntrans85.5-7.3-178.600000115.3G183G183-G185 PolarHBondContact O-N 3.01Å
186M50.7Low54.1Low122 Ų122123.4 Ų123.460%0.60170%0.696SS**PPolyproline II helixtrans-72.6130.8171.6-69.1-63.1-73.600109.7T182 G183 F184 R188T182-M186 HydrophobicContact CG2-CB 3.74Å; G183-M186 WeakPolarHBondContact O-CB 3.43Å; G183-M186 PolarHBondContact O-N 3.19Å; F184-M186 VanDerWaalsContact C-N 3.32Å; M186-R188 PolarHBondContact O-N 3.1Å; M186-R188 VanDerWaalsContact O-N 3.11Å
187P53.5Low54.3Low108 Ų108126.7 Ų126.770%0.70171%0.705SS**PPolyproline II helixtrans-59.3121.3170.224.1-30.1000107.5S189P187-S189 PolarHBondContact O-N 3.15Å
188R56.1Low54.4Low206 Ų206127.4 Ų127.478%0.77770%0.698SS**PPolyproline II helixtrans-60.1118.7166-68.1-173.9-173.7122.31.5105.6M186 V190M186-R188 PolarHBondContact O-N 3.1Å; M186-R188 VanDerWaalsContact O-N 3.11Å; R188-V190 PolarHBondContact O-N 3.1Å
189S54.3Low54.2Low91 Ų91125.1 Ų125.164%0.63669%0.691SS**  trans-60.596.5170.1173.10000106.9P187 L191P187-S189 PolarHBondContact O-N 3.15Å; S189-L191 PolarHBondContact O-N 2.91Å; S189-L191 VanDerWaalsContact OG-CB 3.3Å; S189-L191 WeakPolarHBondContact OG-CB 3.43Å; S189-L191 WeakPolarHBondContact OG-CG 3.25Å; S189-L191 PolarHBondContact OG-N 3.18Å
190V54.8Low54.4Low118 Ų118131.7 Ų131.772%0.71570%0.697SS**  trans-75.261.3157.7-165.30000104.6R188 H192R188-V190 PolarHBondContact O-N 3.1Å; V190-H192 VanDerWaalsContact C-N 3.27Å; V190-H192 PolarHBondContact O-N 3.11Å
191L47.8Very low54.6Low143 Ų143135.8 Ų135.875%0.74970%0.695SS**  trans-54.9108.6169.9-126.6157.3000103.3S189 R193S189-L191 PolarHBondContact O-N 2.91Å; S189-L191 VanDerWaalsContact OG-CB 3.3Å; S189-L191 WeakPolarHBondContact OG-CB 3.43Å; S189-L191 WeakPolarHBondContact OG-CG 3.25Å; S189-L191 PolarHBondContact OG-N 3.18Å; L191-R193 PolarHBondContact O-N 3.44Å
192H48.7Very low54.5Low133 Ų133130.6 Ų130.662%0.61667%0.674SS**  trans-49.7104.3-169.2-63.5-77.9000107.1V190 F194V190-H192 VanDerWaalsContact C-N 3.27Å; V190-H192 PolarHBondContact O-N 3.11Å; H192-F194 HydrophobicContact CB-CD2 3.37Å; H192-F194 HydrophobicContact CB-CE2 3.45Å; H192-F194 VanDerWaalsContact CB-CE2 3.45Å; H192-F194 HydrophobicContact CB-CG 4.01Å; H192-F194 HydrophobicContact CB-CZ 4.16Å; H192-F194 AromaticContact CG-CE2 3.92Å; H192-F194 PolarHBondContact O-N 3.11Å
193R49.3Very low54.3Low224 Ų224134.4 Ų134.485%0.84569%0.687SS**  trans-61.488143.1-67.2-175.9-169.1145.70.8102.5L191 N195L191-R193 PolarHBondContact O-N 3.44Å; R193-N195 PolarHBondContact O-N 2.98Å
194F47.8Very low54.2Low169 Ų169134.7 Ų134.774%0.74169%0.69SS**  trans-61.684.5166.7-88.1-82.4000104.2H192 P196H192-F194 HydrophobicContact CB-CD2 3.37Å; H192-F194 HydrophobicContact CB-CE2 3.45Å; H192-F194 VanDerWaalsContact CB-CE2 3.45Å; H192-F194 HydrophobicContact CB-CG 4.01Å; H192-F194 HydrophobicContact CB-CZ 4.16Å; H192-F194 AromaticContact CG-CE2 3.92Å; H192-F194 PolarHBondContact O-N 3.11Å; F194-P196 WeakPolarHBondContact O-CD 3.27Å
195N53.4Low54.2Low93 Ų93131 Ų13150%0.49767%0.674SS.*  trans-78103.8158.6-73.1-5.7000102.9R193 D197 Q198R193-N195 PolarHBondContact O-N 2.98Å; N195-D197 PolarHBondContact O-N 3.21Å; N195-Q198 HydrophobicContact CB-CG 3.77Å; N195-Q198 PolarHBondContact O-N 3.14Å
196P58.1Low54.1Low122 Ų122131.1 Ų131.179%0.79266%0.658SS**THydrogen-bonded Turntrans-58.3-17.2-178.324.5-34.3000112.4F194 Q198F194-P196 WeakPolarHBondContact O-CD 3.27Å; P196-Q198 VanDerWaalsContact C-N 3.35Å
197D58.5Low54.2Low137 Ų137131.6 Ų131.673%0.73366%0.658SS**THydrogen-bonded Turntrans-84.82.9177.9-59.5-32.2000114.9N195 D199N195-D197 PolarHBondContact O-N 3.21Å; D197-D199 PolarHBondContact O-N 3.3Å; D197-D199 VanDerWaalsContact O-N 3.13Å
198Q52.5Low54.2Low105 Ų105134.3 Ų134.349%0.49167%0.666SS.*  trans-82.286.9174.6-72-69.6-60.800110.4N195 P196 S202N195-Q198 HydrophobicContact CB-CG 3.77Å; N195-Q198 PolarHBondContact O-N 3.14Å; P196-Q198 VanDerWaalsContact C-N 3.35Å; Q198-S202 PolarHBondContact OE1-OG 3.36Å
199D57.6Low54.2Low109 Ų109133.8 Ų133.858%0.58367%0.672SS**  trans-65153.1172.1-166.13.6000111D197 Q201 S202D197-D199 PolarHBondContact O-N 3.3Å; D197-D199 VanDerWaalsContact O-N 3.13Å; D199-Q201 PolarHBondContact O-N 3.35Å; D199-S202 PolarHBondContact O-N 2.96Å; D199-S202 PolarHBondContact O-OG 3.18Å
200R59Low54.2Low224 Ų224132 Ų13285%0.84566%0.663SS**THydrogen-bonded Turntrans-55.5-21.2178.6178.8174.3156.1177.4-6112.7
201Q61.1Low54.1Low166 Ų166129.3 Ų129.378%0.77666%0.659SS**THydrogen-bonded Turntrans-75.6-28.8173.5-60.6-138-4.500113.8D199 Q203 G204D199-Q201 PolarHBondContact O-N 3.35Å; Q201-Q203 VanDerWaalsContact C-N 3.35Å; Q201-G204 PolarHBondContact O-N 3.33Å
202S57.3Low54.3Low45 Ų45125.8 Ų125.832%0.31564%0.643SS.*G310 helixtrans-72.7-28.8177.573.50000112.4Q198 D199 G204 F205Q198-S202 PolarHBondContact OE1-OG 3.36Å; D199-S202 PolarHBondContact O-N 2.96Å; D199-S202 PolarHBondContact O-OG 3.18Å; S202-G204 PolarHBondContact O-N 3.19Å; S202-G204 VanDerWaalsContact O-N 3.07Å; S202-F205 PolarHBondContact O-N 2.73Å
203Q54.1Low54.7Low153 Ų153126 Ų12672%0.71565%0.649SS**G310 helixtrans-59.2-18.7173.6-68.7-87.7-12.600113Q201Q201-Q203 VanDerWaalsContact C-N 3.35Å
204G55Low55.2Low49 Ų49123.4 Ų123.451%0.50564%0.644SS.*G310 helixtrans-94.7-15.7-18000000115.4Q201 S202 V206Q201-G204 PolarHBondContact O-N 3.33Å; S202-G204 PolarHBondContact O-N 3.19Å; S202-G204 VanDerWaalsContact O-N 3.07Å; G204-V206 PolarHBondContact O-N 2.77Å
205F55.6Low55.8Low154 Ų154123 Ų12368%0.67565%0.649SS**  trans-96.164.3-173.4-154.7-93.1000111.2S202 H207S202-F205 PolarHBondContact O-N 2.73Å; F205-H207 AromaticContact CE1-ND1 3.97Å; F205-H207 PolarHBondContact O-N 2.8Å
206V52Low55.9Low83 Ų83121.9 Ų121.950%0.50365%0.652SS.*  trans-76.2113.6163.2-178.60000106G204 L208 A210G204-V206 PolarHBondContact O-N 2.77Å; V206-L208 PolarHBondContact O-N 2.79Å; V206-A210 HydrophobicContact CG1-CB 3.3Å; V206-A210 VanDerWaalsContact CG1-O 3.23Å; V206-A210 WeakPolarHBondContact CG1-O 3.4Å
207H52Low55.6Low132 Ų132121.3 Ų121.361%0.61165%0.646SS**  trans-44.9133.1174.3-68.7-83.9000109.1F205 Q209 A210F205-H207 AromaticContact CE1-ND1 3.97Å; F205-H207 PolarHBondContact O-N 2.8Å; H207-Q209 PolarHBondContact O-N 2.79Å; H207-A210 PolarHBondContact O-N 3.42Å
208L52.8Low55.7Low165 Ų165122.4 Ų122.486%0.86465%0.647SS**THydrogen-bonded Turntrans-48.9-23.2-176.7-114.1101.7000114.2V206 A210V206-L208 PolarHBondContact O-N 2.79Å; L208-A210 VanDerWaalsContact C-N 3.34Å
209Q56.2Low55.7Low195 Ų195126 Ų12691%0.91166%0.664SS**THydrogen-bonded Turntrans-65-33.5174.4-168.5-178.3-50.900113.4H207 G211H207-Q209 PolarHBondContact O-N 2.79Å; Q209-G211 PolarHBondContact O-N 3.23Å
210A55.3Low55.6Low54 Ų54124.5 Ų124.545%0.44668%0.675SS.*SBendtrans-84.991167.300000107.1V206 H207 L208 T212V206-A210 HydrophobicContact CG1-CB 3.3Å; V206-A210 VanDerWaalsContact CG1-O 3.23Å; V206-A210 WeakPolarHBondContact CG1-O 3.4Å; H207-A210 PolarHBondContact O-N 3.42Å; L208-A210 VanDerWaalsContact C-N 3.34Å; A210-T212 PolarHBondContact O-N 2.91Å
211G51Low55.5Low60 Ų60121 Ų12162%0.61967%0.67SS**  trans-38.3111.6-172.800000113Q209 N213Q209-G211 PolarHBondContact O-N 3.23Å; G211-N213 PolarHBondContact O-N 2.78Å
212T52.7Low55.2Low70 Ų70116.4 Ų116.443%0.42965%0.653SS.*  trans-75.1124.2174.7-175.50000109.1A210 K214A210-T212 PolarHBondContact O-N 2.91Å; T212-K214 PolarHBondContact O-N 3.27Å
213N57.9Low55.1Low137 Ų137118 Ų11873%0.73366%0.664SS**G310 helixtrans-761.8179.3-62.9-27.3000113.1G211 L215 A216G211-N213 PolarHBondContact O-N 2.78Å; N213-L215 PolarHBondContact O-N 3.11Å; N213-L215 VanDerWaalsContact O-N 3.09Å; N213-A216 HydrophobicContact CB-CB 4.43Å; N213-A216 PolarHBondContact O-N 3.07Å
214K59.1Low55.5Low170 Ų170121.2 Ų121.274%0.73968%0.676SS**G310 helixtrans-57.7-28.2-175-77.1-177.2178.7177.40113.6T212T212-K214 PolarHBondContact O-N 3.27Å
215L60.5Low55.4Low161 Ų161122.4 Ų122.484%0.84369%0.689SS**G310 helixtrans-112.63.7179.1-58.3176000112.9N213 T217N213-L215 PolarHBondContact O-N 3.11Å; N213-L215 VanDerWaalsContact O-N 3.09Å; L215-T217 PolarHBondContact O-N 3.04Å
216A55.7Low55.1Low69 Ų69117.3 Ų117.357%0.5767%0.672SS**  trans-81.799.5179.300000109.2N213N213-A216 HydrophobicContact CB-CB 4.43Å; N213-A216 PolarHBondContact O-N 3.07Å
217T52.6Low55Low109 Ų109118.5 Ų118.567%0.66968%0.682SS**  trans-71.8128.3171.955.50000109.5L215 Q219L215-T217 PolarHBondContact O-N 3.04Å; T217-Q219 PolarHBondContact O-N 3.31Å; T217-Q219 VanDerWaalsContact O-N 3.13Å
218Q60Low54.9Low161 Ų161121.3 Ų121.375%0.75269%0.687SS**  trans-65.9-9.9173.8-167.9179.128.800112.9G220 M221Q218-G220 PolarHBondContact O-N 2.99Å; Q218-G220 VanDerWaalsContact O-N 3.15Å; Q218-M221 HydrophobicContact CG-CB 4.32Å; Q218-M221 PolarHBondContact O-N 3.4Å
219Q51.4Low54.7Low179 Ų179119.1 Ų119.184%0.83668%0.681SS**THydrogen-bonded Turntrans-58.2121178.5-69.8-159.7-21.500110.7T217T217-Q219 PolarHBondContact O-N 3.31Å; T217-Q219 VanDerWaalsContact O-N 3.13Å
220G56Low54.4Low79 Ų79116.4 Ų116.481%0.81467%0.672SS**THydrogen-bonded Turntrans93.3-6.3-177.900000115.5Q218 T222Q218-G220 PolarHBondContact O-N 2.99Å; Q218-G220 VanDerWaalsContact O-N 3.15Å; G220-T222 PolarHBondContact O-N 3.27Å; G220-T222 VanDerWaalsContact O-N 3.12Å
221M56.5Low54.1Low151 Ų151118.6 Ų118.674%0.74468%0.68SS**  trans-72.2107.3169.2-83.8-173.779.800110Q218Q218-M221 HydrophobicContact CG-CB 4.32Å; Q218-M221 PolarHBondContact O-N 3.4Å
222T55.5Low53.8Low69 Ų69119.3 Ų119.342%0.42367%0.672SS.*PPolyproline II helixtrans-65.3133.1166-8.70000108.6G220G220-T222 PolarHBondContact O-N 3.27Å; G220-T222 VanDerWaalsContact O-N 3.12Å
223S56Low53.4Low78 Ų78125.1 Ų125.155%0.54569%0.691SS.*PPolyproline II helixtrans-58.9151.2178.4680000110.9G225 S226S223-G225 PolarHBondContact O-N 3.44Å; S223-S226 WeakPolarHBondContact O-CB 3.49Å; S223-S226 PolarHBondContact O-N 3.04Å; S223-S226 PolarHBondContact OG-OG 2.94Å
224F61.4Low52.9Low220 Ų220125.6 Ų125.697%0.96568%0.684SS**THydrogen-bonded Turntrans-56.2123.7172.9-175.1-97.6000109.7
225G52.6Low52.1Low75 Ų75125.9 Ų125.977%0.77369%0.685SS**THydrogen-bonded Turntrans92.3-5-177.700000115.8S223S223-G225 PolarHBondContact O-N 3.44Å
226S49.5Very low51.3Low47 Ų47122 Ų12233%0.32967%0.666SS.*  trans-69.7135.9172.1-75.80000111.3S223 R228S223-S226 WeakPolarHBondContact O-CB 3.49Å; S223-S226 PolarHBondContact O-N 3.04Å; S223-S226 PolarHBondContact OG-OG 2.94Å; S226-R228 PolarHBondContact O-N 3.24Å
227P50.8Low51.5Low108 Ų108124.5 Ų124.570%0.70168%0.679SS**  trans-61.7122176.522.9-30.2000110T229P227-T229 PolarHBondContact O-N 3.28Å
228R48.3Very low51.7Low191 Ų191128 Ų12872%0.72169%0.688SS**  trans-83.1109.2170.8-74-174.1160.6121.2-0.2108.2S226 N230S226-R228 PolarHBondContact O-N 3.24Å; R228-N230 PolarHBondContact O-N 3.05Å
229T49.3Very low51.2Low119 Ų119129.5 Ų129.573%0.7369%0.686SS**  trans-73.196.8165.750.80000107.3P227 V231P227-T229 PolarHBondContact O-N 3.28Å; T229-V231 PolarHBondContact O-N 2.7Å
230N49.6Very low51.2Low138 Ų138122.8 Ų122.874%0.73867%0.666SS**  trans-69.771.8166.2-78.7-17000107.9R228 T232R228-N230 PolarHBondContact O-N 3.05Å; N230-T232 PolarHBondContact O-N 3.33Å
231V49.5Very low50.9Low99 Ų99127 Ų12760%0.666%0.664SS**  trans-79.779168.9-160.30000105.8T229 K233T229-V231 PolarHBondContact O-N 2.7Å; V231-K233 VanDerWaalsContact C-N 3.34Å; V231-K233 HydrophobicContact CG1-CG 4.41Å; V231-K233 PolarHBondContact O-N 2.99Å
232T45Very low50.6Low75 Ų75124.1 Ų124.146%0.4665%0.65SS.*  trans-70.898.6174.6-34.70000107.2N230 Y234N230-T232 PolarHBondContact O-N 3.33Å; T232-Y234 VanDerWaalsContact C-N 3.3Å; T232-Y234 VanDerWaalsContact CB-CE2 3.47Å; T232-Y234 VanDerWaalsContact CB-OH 3.27Å; T232-Y234 WeakPolarHBondContact CB-OH 3.12Å; T232-Y234 HydrophobicContact CG2-CD1 3.78Å; T232-Y234 HydrophobicContact CG2-CD2 4.37Å; T232-Y234 HydrophobicContact CG2-CE1 3.14Å; T232-Y234 HydrophobicContact CG2-CE2 3.82Å; T232-Y234 HydrophobicContact CG2-CG 4.36Å; T232-Y234 VanDerWaalsContact CG2-OH 3.32Å; T232-Y234 WeakPolarHBondContact CG2-OH 3.44Å; T232-Y234 VanDerWaalsContact O-CD2 3.25Å; T232-Y234 WeakPolarHBondContact O-CD2 3.38Å; T232-Y234 WeakPolarHBondContact O-CE2 3.37Å; T232-Y234 PolarHBondContact O-N 3.13Å; T232-Y234 PolarHBondContact OG1-OH 3.45Å
233K44.8Very low50.4Low192 Ų192125.2 Ų125.284%0.83567%0.666SS**  trans-75.286.4173.9-61.7-174.2-177.4-172.10108V231V231-K233 VanDerWaalsContact C-N 3.34Å; V231-K233 HydrophobicContact CG1-CG 4.41Å; V231-K233 PolarHBondContact O-N 2.99Å
234Y46.3Very low50Low148 Ų148128.6 Ų128.658%0.5868%0.678SS**  trans-78.1123166.8-42.5-82000107.7T232 V248T232-Y234 VanDerWaalsContact C-N 3.3Å; T232-Y234 VanDerWaalsContact CB-CE2 3.47Å; T232-Y234 VanDerWaalsContact CB-OH 3.27Å; T232-Y234 WeakPolarHBondContact CB-OH 3.12Å; T232-Y234 HydrophobicContact CG2-CD1 3.78Å; T232-Y234 HydrophobicContact CG2-CD2 4.37Å; T232-Y234 HydrophobicContact CG2-CE1 3.14Å; T232-Y234 HydrophobicContact CG2-CE2 3.82Å; T232-Y234 HydrophobicContact CG2-CG 4.36Å; T232-Y234 VanDerWaalsContact CG2-OH 3.32Å; T232-Y234 WeakPolarHBondContact CG2-OH 3.44Å; T232-Y234 VanDerWaalsContact O-CD2 3.25Å; T232-Y234 WeakPolarHBondContact O-CD2 3.38Å; T232-Y234 WeakPolarHBondContact O-CE2 3.37Å; T232-Y234 PolarHBondContact O-N 3.13Å; T232-Y234 PolarHBondContact OG1-OH 3.45Å; Y234-V248 HydrophobicContact CD2-CG1 4.1Å; Y234-V248 HydrophobicContact CE2-CG1 3.47Å; Y234-V248 VanDerWaalsContact CE2-CG1 3.47Å
235K42.9Very low49.3Very low175 Ų175121.6 Ų121.676%0.76165%0.65SS**  trans-95.6102.7174-148.2178.1-169.9-179.90107.2
236D43.8Very low48.9Very low81 Ų81123.3 Ų123.343%0.43364%0.638SS.*BIsolated β-bridgetrans-80.4128.7171.5-172.85000108.9Q238 G240D236-Q238 PolarHBondContact O-N 2.98Å; D236-Q238 PolarHBondContact OD1-N 3.05Å; D236-G240 PolarHBondContact O-N 3.47Å
237S60.1Low48.9Very low121 Ų121125.5 Ų125.585%0.84665%0.653SS**THydrogen-bonded Turntrans-68.6-20.2-17550.40000113.1
238Q57Low48.7Very low183 Ų183124 Ų12486%0.85564%0.642SS**THydrogen-bonded Turntrans-98.4-31.1179.4-63.5-159.7-12.100114.1D236D236-Q238 PolarHBondContact O-N 2.98Å; D236-Q238 PolarHBondContact OD1-N 3.05Å
239R48.1Very low48.3Very low191 Ų191118.7 Ų118.772%0.72163%0.627SS**THydrogen-bonded Turntrans-107.30.1-171.4-115.1173.8179.5135.6-0.7115.5M242R239-M242 HydrophobicContact CB-CG 4.12Å; R239-M242 HydrophobicContact CB-SD 4.35Å; R239-M242 HydrophobicContact CG-SD 4.36Å
240G51.6Low47.9Very low39 Ų39116.8 Ų116.840%0.40262%0.617SS.*BIsolated β-bridgetrans68.1-162.1-178.700000112.2D236 M242D236-G240 PolarHBondContact O-N 3.47Å; G240-M242 PolarHBondContact O-N 3.36Å
241E50.6Low47.7Very low168 Ų168121.1 Ų121.179%0.78562%0.623SS**SBendtrans-6996.7174.6-66-174.8179.100108.9A243E241-A243 PolarHBondContact O-N 3.14Å; E241-A243 VanDerWaalsContact O-N 3.11Å
242M49.1Very low47.5Very low90 Ų90123.9 Ų123.944%0.44363%0.629SS.*  trans-64.1113.7174.8-80.1-101.7-79.400109R239 G240 N244 D245R239-M242 HydrophobicContact CB-CG 4.12Å; R239-M242 HydrophobicContact CB-SD 4.35Å; R239-M242 HydrophobicContact CG-SD 4.36Å; G240-M242 PolarHBondContact O-N 3.36Å; M242-N244 PolarHBondContact O-N 2.59Å; M242-D245 HydrophobicContact CE-CB 3.74Å; M242-D245 WeakPolarHBondContact CE-OD2 3.37Å
243A52.3Low47.4Very low92 Ų92124.4 Ų124.476%0.7663%0.633SS**  trans-61.8104.3171.700000108.8E241 D245E241-A243 PolarHBondContact O-N 3.14Å; E241-A243 VanDerWaalsContact O-N 3.11Å; A243-D245 VanDerWaalsContact C-N 3.34Å; A243-D245 PolarHBondContact O-N 3.31Å
244N47.6Very low47.2Very low148 Ų148117.9 Ų117.979%0.79161%0.609SS**  trans39.256163.3-54.6-41.2000114.2M242 E246M242-N244 PolarHBondContact O-N 2.59Å; N244-E246 PolarHBondContact O-N 3.32Å
245D46.6Very low46.8Very low73 Ų73112.3 Ų112.339%0.3960%0.596SS.*  trans-69.2100171.1-169.3-16000107.8M242 A243 S247 V248M242-D245 HydrophobicContact CE-CB 3.74Å; M242-D245 WeakPolarHBondContact CE-OD2 3.37Å; A243-D245 VanDerWaalsContact C-N 3.34Å; A243-D245 PolarHBondContact O-N 3.31Å; D245-S247 PolarHBondContact O-N 3.27Å; D245-S247 WeakPolarHBondContact OD1-CB 3.09Å; D245-S247 PolarHBondContact OD1-N 3.48Å; D245-S247 PolarHBondContact OD1-OG 2.98Å; D245-S247 PolarHBondContact OD2-OG 2.83Å; D245-V248 PolarHBondContact O-N 3.36Å; D245-V248 VanDerWaalsContact O-N 3.13Å
246E44.4Very low46.9Very low112 Ų112112.6 Ų112.652%0.52359%0.594SS.*G310 helixtrans-59.7-12.4-176.1-66.9-166.8160.800112.9N244 V248 I249 K257N244-E246 PolarHBondContact O-N 3.32Å; E246-V248 PolarHBondContact O-N 3.5Å; E246-I249 HydrophobicContact CB-CD1 4.17Å; E246-I249 HydrophobicContact CG-CD1 4.24Å; E246-I249 PolarHBondContact O-N 3Å; E246-K257 IonicContact OE1-NZ 3.2Å; E246-K257 IonicContact OE2-NZ 2.69Å; E246-K257 PolarHBondContact OE2-NZ 3.31Å
247S48.5Very low47Very low92 Ų92115.6 Ų115.664%0.64360%0.603SS**G310 helixtrans-66.2-19.1174.967.10000113.7D245D245-S247 PolarHBondContact O-N 3.27Å; D245-S247 WeakPolarHBondContact OD1-CB 3.09Å; D245-S247 PolarHBondContact OD1-N 3.48Å; D245-S247 PolarHBondContact OD1-OG 2.98Å; D245-S247 PolarHBondContact OD2-OG 2.83Å
248V46.6Very low46.4Very low78 Ų78119.3 Ų119.347%0.47361%0.607SS.*G310 helixtrans-93.8-3.2-179.6-166.10000112.2Y234 D245 E246 P250Y234-V248 HydrophobicContact CD2-CG1 4.1Å; Y234-V248 HydrophobicContact CE2-CG1 3.47Å; Y234-V248 VanDerWaalsContact CE2-CG1 3.47Å; D245-V248 PolarHBondContact O-N 3.36Å; D245-V248 VanDerWaalsContact O-N 3.13Å; E246-V248 PolarHBondContact O-N 3.5Å; V248-P250 VanDerWaalsContact O-CD 3.28Å; V248-P250 WeakPolarHBondContact O-CD 3.47Å
249I41.5Very low45.8Very low79 Ų79114.1 Ų114.141%0.40560%0.603SS.*SBendtrans-72.4116.5175.9-57.7174.8000107.5E246 R251 T253 T254E246-I249 HydrophobicContact CB-CD1 4.17Å; E246-I249 HydrophobicContact CG-CD1 4.24Å; E246-I249 PolarHBondContact O-N 3Å; I249-R251 PolarHBondContact O-N 2.69Å; I249-T253 WeakPolarHBondContact CG2-OG1 3.15Å; I249-T254 HydrophobicContact CB-CG2 3.82Å; I249-T254 HydrophobicContact CG2-CG2 3.58Å; I249-T254 WeakPolarHBondContact O-CG2 3.07Å
250P40.6Very low45.5Very low78 Ų78108.1 Ų108.151%0.50659%0.594SS.*  trans-57.4140.1-177.519.6-28.2000109.6V248 Q252 T253 T254V248-P250 VanDerWaalsContact O-CD 3.28Å; V248-P250 WeakPolarHBondContact O-CD 3.47Å; P250-Q252 PolarHBondContact O-N 3.4Å; P250-T253 WeakPolarHBondContact CG-OG1 3.49Å; P250-T253 PolarHBondContact O-N 2.97Å; P250-T253 PolarHBondContact O-OG1 3.02Å; P250-T254 PolarHBondContact O-N 2.82Å
251R45.4Very low45.1Very low229 Ų229111.2 Ų111.286%0.86460%0.601SS**THydrogen-bonded Turntrans-57-15.8179.9-74.8178.891.5-171.37.8114I249 T253 T254I249-R251 PolarHBondContact O-N 2.69Å; R251-T253 PolarHBondContact O-N 3.24Å; R251-T254 VanDerWaalsContact CA-OG1 3.31Å; R251-T254 WeakPolarHBondContact CA-OG1 3.41Å; R251-T254 PolarHBondContact O-N 3.39Å
252Q43.7Very low45Very low157 Ų157110.1 Ų110.173%0.73460%0.596SS**THydrogen-bonded Turntrans-65.3-23.6170.1-68.7-174.4-21.700113.4P250P250-Q252 PolarHBondContact O-N 3.4Å
253T43.9Very low44.8Very low87 Ų87108.7 Ų108.753%0.53460%0.598SS.*THydrogen-bonded Turntrans-103.8-19.5174.133.30000113.5I249 P250 R251 G255I249-T253 WeakPolarHBondContact CG2-OG1 3.15Å; P250-T253 WeakPolarHBondContact CG-OG1 3.49Å; P250-T253 PolarHBondContact O-N 2.97Å; P250-T253 PolarHBondContact O-OG1 3.02Å; R251-T253 PolarHBondContact O-N 3.24Å; T253-G255 PolarHBondContact O-N 3.21Å
254T40.1Very low44.5Very low55 Ų55105.9 Ų105.934%0.33758%0.579SS.*G310 helixtrans-83.114.9-179.571.90000114.8I249 P250 R251 Y256I249-T254 HydrophobicContact CB-CG2 3.82Å; I249-T254 HydrophobicContact CG2-CG2 3.58Å; I249-T254 WeakPolarHBondContact O-CG2 3.07Å; P250-T254 PolarHBondContact O-N 2.82Å; R251-T254 VanDerWaalsContact CA-OG1 3.31Å; R251-T254 WeakPolarHBondContact CA-OG1 3.41Å; R251-T254 PolarHBondContact O-N 3.39Å; T254-Y256 PolarHBondContact O-N 2.88Å
255G39.1Very low44.4Very low30 Ų30105.8 Ų105.831%0.30958%0.576SS.*G310 helixtrans-56.5-13.6162.500000112.8T253 K257 G259 A260T253-G255 PolarHBondContact O-N 3.21Å; G255-K257 PolarHBondContact O-N 2.63Å; G255-G259 PolarHBondContact O-N 3.22Å; G255-A260 CarbonylContact C-O 3.22Å; G255-A260 PolarHBondContact O-N 3.03Å
256Y44.8Very low44.5Very low182 Ų182104.7 Ų104.771%0.71457%0.572SS**G310 helixtrans-61-29.8-177.3-168.4-102.6000115.8T254T254-Y256 PolarHBondContact O-N 2.88Å
257K46.4Very low44.6Very low144 Ų144101.6 Ų101.663%0.62657%0.569SS**THydrogen-bonded Turntrans-90.4-28.3-174.9-69.8-170.4176.3178.90114.6E246 G255E246-K257 IonicContact OE1-NZ 3.2Å; E246-K257 IonicContact OE2-NZ 2.69Å; E246-K257 PolarHBondContact OE2-NZ 3.31Å; G255-K257 PolarHBondContact O-N 2.63Å
258E45.8Very low44.5Very low198 Ų198108.1 Ų108.193%0.92559%0.587SS**THydrogen-bonded Turntrans-138.9-1-172.7-72.4-180172.800117.2
259G45.5Very low44.3Very low75 Ų75108.1 Ų108.177%0.77360%0.602SS**THydrogen-bonded Turntrans-160.1-11.7-174.900000120G255G255-G259 PolarHBondContact O-N 3.22Å
260A42.3Very low44.5Very low65 Ų65110.3 Ų110.354%0.53761%0.612SS.*  trans-150.593.7178.600000109.9G255G255-A260 CarbonylContact C-O 3.22Å; G255-A260 PolarHBondContact O-N 3.03Å
261N41.7Very low44.8Very low104 Ų104111 Ų11156%0.55662%0.617SS**  trans-73139.8164.177.712.9000108.2A263N261-A263 HydrophobicContact CB-CB 4.19Å; N261-A263 PolarHBondContact O-N 3.4Å; N261-A263 PolarHBondContact OD1-O 3.39Å
262Q49.9Very low44.6Very low145 Ų145109.6 Ų109.668%0.67861%0.611SS**  trans-77.9-4167.1-163.9-179.35.600110.8G264 M265Q262-G264 PolarHBondContact O-N 3.35Å; Q262-M265 HydrophobicContact CG-CB 4.03Å; Q262-M265 HydrophobicContact CG-SD 4.49Å; Q262-M265 PolarHBondContact O-N 2.69Å
263A43.5Very low44.7Very low59 Ų59106.4 Ų106.449%0.48860%0.599SS.*THydrogen-bonded Turntrans-63.8105.8176.600000109.2N261N261-A263 HydrophobicContact CB-CB 4.19Å; N261-A263 PolarHBondContact O-N 3.4Å; N261-A263 PolarHBondContact OD1-O 3.39Å
264G47.3Very low44.8Very low34 Ų34107.4 Ų107.435%0.35161%0.605SS.*THydrogen-bonded Turntrans101.5-0.8-177.400000115.6Q262 T266Q262-G264 PolarHBondContact O-N 3.35Å; G264-T266 PolarHBondContact O-N 3.47Å; G264-T266 VanDerWaalsContact O-N 3.1Å
265M44.8Very low45Very low146 Ų146107.9 Ų107.972%0.71961%0.609SS**  trans-75.796.7166.8-86.4-175.268.600110.2Q262Q262-M265 HydrophobicContact CG-CB 4.03Å; Q262-M265 HydrophobicContact CG-SD 4.49Å; Q262-M265 PolarHBondContact O-N 2.69Å
266T48.9Very low45.2Very low50 Ų50110 Ų11031%0.30761%0.612SS.*PPolyproline II helixtrans-78.4146.4164.449.60000109.9G264 M270 P271G264-T266 PolarHBondContact O-N 3.47Å; G264-T266 VanDerWaalsContact O-N 3.1Å; T266-M270 HydrophobicContact CG2-CB 4.44Å; T266-M270 PolarHBondContact OG1-O 3.18Å; T266-M270 VanDerWaalsContact OG1-O 3.11Å; T266-P271 PolarHBondContact OG1-O 3.38Å
267G47.1Very low45Very low46 Ų46109.4 Ų109.447%0.47462%0.618SS.*PPolyproline II helixtrans-58.8161.5-178.900000113.1G269 M270G267-G269 PolarHBondContact O-N 3.45Å; G267-M270 WeakPolarHBondContact O-CB 3.47Å; G267-M270 PolarHBondContact O-N 3.1Å
268F46.8Very low44.8Very low230 Ų230108.6 Ų108.6100%1.00962%0.616SS**THydrogen-bonded Turntrans-51.7123.7177.7-174.5-97.6000111
269G42.1Very low44.6Very low78 Ų78102.1 Ų102.180%0.80459%0.588SS**THydrogen-bonded Turntrans89.9-5.9-176.700000115.7G267G267-G269 PolarHBondContact O-N 3.45Å
270M44.9Very low44.5Very low124 Ų124103.7 Ų103.761%0.61159%0.587SS**SBendtrans-91.4131.4174-65.7-158.59000110.9T266 G267 R272T266-M270 HydrophobicContact CG2-CB 4.44Å; T266-M270 PolarHBondContact OG1-O 3.18Å; T266-M270 VanDerWaalsContact OG1-O 3.11Å; G267-M270 WeakPolarHBondContact O-CB 3.47Å; G267-M270 PolarHBondContact O-N 3.1Å; M270-R272 PolarHBondContact O-N 3.26Å
271P46.4Very low44.4Very low92 Ų92110.3 Ų110.360%0.59760%0.598SS**PPolyproline II helixtrans-58.4132175.624.1-32.1000109.8T266 N273T266-P271 PolarHBondContact OG1-O 3.38Å; P271-N273 PolarHBondContact O-N 3.42Å
272R42.4Very low44.4Very low200 Ų200109.2 Ų109.276%0.75559%0.589SS**PPolyproline II helixtrans-62.7124.3173.8-70.1-176.3174.694.7-0.7107.6M270 T274M270-R272 PolarHBondContact O-N 3.26Å; R272-T274 HydrophobicContact CB-CG2 4.44Å; R272-T274 PolarHBondContact O-N 3.21Å
273N45Very low44Very low90 Ų90108.1 Ų108.148%0.48158%0.584SS.*  trans-71.782.6169.6-169.17.3000108.2P271 T275 I276P271-N273 PolarHBondContact O-N 3.42Å; N273-T275 PolarHBondContact ND2-OG1 2.98Å; N273-T275 PolarHBondContact O-N 3.29Å; N273-T275 WeakPolarHBondContact OD1-CB 3.26Å; N273-T275 PolarHBondContact OD1-N 3.36Å; N273-T275 PolarHBondContact OD1-OG1 3.03Å; N273-I276 PolarHBondContact O-N 3.46Å
274T47Very low44.2Very low108 Ų108113.6 Ų113.666%0.66360%0.599SS**THydrogen-bonded Turntrans-62.8-7.7179.340.80000112.6R272 I276 M277R272-T274 HydrophobicContact CB-CG2 4.44Å; R272-T274 PolarHBondContact O-N 3.21Å; T274-I276 PolarHBondContact O-N 2.72Å; T274-M277 PolarHBondContact O-N 2.81Å
275T43.7Very low44Very low66 Ų66119.7 Ų119.741%0.40562%0.616SS.*Hα-helixtrans-66.2-14173.167.80000113N273 M277 Q278 L279N273-T275 PolarHBondContact ND2-OG1 2.98Å; N273-T275 PolarHBondContact O-N 3.29Å; N273-T275 WeakPolarHBondContact OD1-CB 3.26Å; N273-T275 PolarHBondContact OD1-N 3.36Å; N273-T275 PolarHBondContact OD1-OG1 3.03Å; T275-M277 VanDerWaalsContact C-N 3.3Å; T275-M277 PolarHBondContact O-N 3.16Å; T275-Q278 CarbonylContact O-C 3.59Å; T275-Q278 WeakPolarHBondContact O-CA 3.23Å; T275-Q278 PolarHBondContact O-N 3.17Å; T275-L279 WeakPolarHBondContact O-CA 3.48Å; T275-L279 WeakPolarHBondContact O-CB 3.3Å; T275-L279 VanDerWaalsContact O-CG 3.27Å; T275-L279 WeakPolarHBondContact O-CG 3.1Å; T275-L279 PolarHBondContact O-N 3.03Å
276I43.4Very low43.8Very low75 Ų75114.3 Ų114.339%0.38559%0.593SS.*Hα-helixtrans-63.9-35.2171.5-61.1176.9000112N273 T274 Q278 L279N273-I276 PolarHBondContact O-N 3.46Å; T274-I276 PolarHBondContact O-N 2.72Å; I276-Q278 PolarHBondContact O-N 2.75Å; I276-L279 HydrophobicContact CB-CD1 4.23Å; I276-L279 HydrophobicContact CG1-CD1 3.74Å; I276-L279 PolarHBondContact O-N 2.8Å
277M39.5Very low43.3Very low168 Ų168118.4 Ų118.483%0.82861%0.609SS**Hα-helixtrans-70.1-18.7172.2-80.6-112.1-82.800112.9T274 T275T274-M277 PolarHBondContact O-N 2.81Å; T275-M277 VanDerWaalsContact C-N 3.3Å; T275-M277 PolarHBondContact O-N 3.16Å
278Q43.6Very low43Very low128 Ų128119.6 Ų119.660%0.59862%0.622SS**Hα-helixtrans-103.50.8172.3-62.4-158.9-22.800113T275 I276 S280 R281 Q282T275-Q278 CarbonylContact O-C 3.59Å; T275-Q278 WeakPolarHBondContact O-CA 3.23Å; T275-Q278 PolarHBondContact O-N 3.17Å; I276-Q278 PolarHBondContact O-N 2.75Å; Q278-S280 VanDerWaalsContact C-N 3.3Å; Q278-R281 CarbonylContact O-C 3.27Å; Q278-R281 VanDerWaalsContact O-C 3.27Å; Q278-R281 VanDerWaalsContact O-CA 3.23Å; Q278-R281 WeakPolarHBondContact O-CA 3.38Å; Q278-R281 VanDerWaalsContact O-CB 3.26Å; Q278-R281 WeakPolarHBondContact O-CB 3.46Å; Q278-R281 PolarHBondContact O-N 2.76Å; Q278-Q282 PolarHBondContact O-N 3.19Å
279L40Very low42.7Very low62 Ų62111.8 Ų111.833%0.32559%0.59SS.*Hα-helixtrans-74.9-25.9178.8-93.8154.8000111T275 I276 R281 Q282T275-L279 WeakPolarHBondContact O-CA 3.48Å; T275-L279 WeakPolarHBondContact O-CB 3.3Å; T275-L279 VanDerWaalsContact O-CG 3.27Å; T275-L279 WeakPolarHBondContact O-CG 3.1Å; T275-L279 PolarHBondContact O-N 3.03Å; I276-L279 HydrophobicContact CB-CD1 4.23Å; I276-L279 HydrophobicContact CG1-CD1 3.74Å; I276-L279 PolarHBondContact O-N 2.8Å; L279-R281 PolarHBondContact O-N 3.11Å; L279-Q282 HydrophobicContact CD2-CB 3.96Å; L279-Q282 VanDerWaalsContact CD2-CD 3.48Å; L279-Q282 HydrophobicContact CD2-CG 4.19Å; L279-Q282 WeakPolarHBondContact O-CB 3.25Å; L279-Q282 PolarHBondContact O-N 2.86Å
280S44.1Very low42.5Very low107 Ų107113.5 Ų113.575%0.74858%0.579SS**THydrogen-bonded Turntrans-66.4-19.4163.857.90000112.9Q278Q278-S280 VanDerWaalsContact C-N 3.3Å
281R41.4Very low42.3Very low205 Ų205111.7 Ų111.777%0.77458%0.577SS**THydrogen-bonded Turntrans-93.4-0.7167.3-60.3-175.4177.5-83.1-0.4112.9Q278 L279 E283Q278-R281 CarbonylContact O-C 3.27Å; Q278-R281 VanDerWaalsContact O-C 3.27Å; Q278-R281 VanDerWaalsContact O-CA 3.23Å; Q278-R281 WeakPolarHBondContact O-CA 3.38Å; Q278-R281 VanDerWaalsContact O-CB 3.26Å; Q278-R281 WeakPolarHBondContact O-CB 3.46Å; Q278-R281 PolarHBondContact O-N 2.76Å; L279-R281 PolarHBondContact O-N 3.11Å; R281-E283 PolarHBondContact O-N 3.06Å
282Q40.8Very low41.9Very low81 Ų81115.4 Ų115.438%0.37958%0.58SS.*SBendtrans-73.3114171-145.8-166.117.900106.5Q278 L279 Q284 S286Q278-Q282 PolarHBondContact O-N 3.19Å; L279-Q282 HydrophobicContact CD2-CB 3.96Å; L279-Q282 VanDerWaalsContact CD2-CD 3.48Å; L279-Q282 HydrophobicContact CD2-CG 4.19Å; L279-Q282 WeakPolarHBondContact O-CB 3.25Å; L279-Q282 PolarHBondContact O-N 2.86Å; Q282-Q284 PolarHBondContact O-N 3.26Å; Q282-S286 WeakPolarHBondContact CG-OG 3.21Å; Q282-S286 PolarHBondContact NE2-OG 3.49Å; Q282-S286 PolarHBondContact OE1-OG 3.38Å
283E41.2Very low41.7Very low121 Ų121112.2 Ų112.257%0.56557%0.574SS**  trans-51.6139.4177-70.3-157172.900109.4R281 K285 S286R281-E283 PolarHBondContact O-N 3.06Å; E283-K285 HydrophobicContact CB-CB 4.45Å; E283-K285 PolarHBondContact O-N 3.02Å; E283-K285 WeakPolarHBondContact OE2-CE 3.12Å; E283-K285 IonicContact OE2-NZ 3.51Å; E283-K285 PolarHBondContact OE2-NZ 3.13Å; E283-S286 PolarHBondContact O-N 3.42Å; E283-S286 PolarHBondContact O-OG 3.42Å
284Q47Very low41.3Very low174 Ų174114.8 Ų114.881%0.81359%0.585SS**G310 helixtrans-49.1-24.6176.8-73-162.21.900112.7Q282 S286 Q287Q282-Q284 PolarHBondContact O-N 3.26Å; Q284-S286 VanDerWaalsContact C-N 3.28Å; Q284-S286 PolarHBondContact O-N 3.35Å; Q284-Q287 VanDerWaalsContact O-CB 3.25Å; Q284-Q287 WeakPolarHBondContact O-CB 3.23Å; Q284-Q287 WeakPolarHBondContact O-CG 3.47Å; Q284-Q287 PolarHBondContact O-N 2.95Å; Q284-Q287 VanDerWaalsContact O-N 3.14Å
285K44.5Very low40.8Very low162 Ų162112.1 Ų112.170%0.70458%0.579SS**G310 helixtrans-64.2-20.8178.9-58.4-176.3-164.21360115.4E283E283-K285 HydrophobicContact CB-CB 4.45Å; E283-K285 PolarHBondContact O-N 3.02Å; E283-K285 WeakPolarHBondContact OE2-CE 3.12Å; E283-K285 IonicContact OE2-NZ 3.51Å; E283-K285 PolarHBondContact OE2-NZ 3.13Å
286S40.1Very low40.5Very low34 Ų34116 Ų11624%0.23860%0.596CS.*G310 helixtrans-96.9-1.2174.772.20000113.7Q282 E283 Q284 G288 L289Q282-S286 WeakPolarHBondContact CG-OG 3.21Å; Q282-S286 PolarHBondContact NE2-OG 3.49Å; Q282-S286 PolarHBondContact OE1-OG 3.38Å; E283-S286 PolarHBondContact O-N 3.42Å; E283-S286 PolarHBondContact O-OG 3.42Å; Q284-S286 VanDerWaalsContact C-N 3.28Å; Q284-S286 PolarHBondContact O-N 3.35Å; S286-G288 PolarHBondContact O-N 3.34Å; S286-G288 VanDerWaalsContact O-N 3.1Å; S286-L289 PolarHBondContact O-N 3.22Å
287Q38.1Very low40.5Very low135 Ų135118.2 Ų118.263%0.63161%0.609SS**THydrogen-bonded Turntrans-64.7110.3169.2-63.6-77.3-15.400107.6Q284Q284-Q287 VanDerWaalsContact O-CB 3.25Å; Q284-Q287 WeakPolarHBondContact O-CB 3.23Å; Q284-Q287 WeakPolarHBondContact O-CG 3.47Å; Q284-Q287 PolarHBondContact O-N 2.95Å; Q284-Q287 VanDerWaalsContact O-N 3.14Å
288G40.8Very low40.1Very low72 Ų72121.5 Ų121.574%0.74261%0.612SS**THydrogen-bonded Turntrans112.3-9.9179.200000115.6S286 I290S286-G288 PolarHBondContact O-N 3.34Å; S286-G288 VanDerWaalsContact O-N 3.1Å; G288-I290 PolarHBondContact O-N 3.03Å; G288-I290 VanDerWaalsContact O-N 3.15Å
289L41.7Very low40.1Very low65 Ų65119.2 Ų119.234%0.3462%0.623SS.*  trans-8096171.1-76.1163.1000109.4S286 P291 L365 R367S286-L289 PolarHBondContact O-N 3.22Å; L289-P291 WeakPolarHBondContact O-CD 3.49Å; L289-L365 HydrophobicContact CD2-CD2 4.3Å; L289-R367 HydrophobicContact CD2-CG 4.42Å
290I37.5Very low40Very low114 Ų114120.7 Ų120.759%0.58563%0.631SS**  trans-84.2121.3172.9-45.8174.4000108.4G288 Y292 M294G288-I290 PolarHBondContact O-N 3.03Å; G288-I290 VanDerWaalsContact O-N 3.15Å; I290-Y292 PolarHBondContact O-N 3.1Å; I290-M294 HydrophobicContact CB-CE 3.96Å; I290-M294 HydrophobicContact CD1-CE 3.69Å; I290-M294 HydrophobicContact CG1-CE 4.41Å; I290-M294 HydrophobicContact CG2-CE 3.35Å
291P40.5Very low39.8Very low87 Ų87117.7 Ų117.757%0.56561%0.61SS**  trans-56.6132170.6-20.231.5000109.3L289 Q293L289-P291 WeakPolarHBondContact O-CD 3.49Å; P291-Q293 PolarHBondContact O-N 3.38Å
292Y37.4Very low39.8Very low170 Ų170115 Ų11567%0.66761%0.606SS**SBendtrans-61.280.7172.1-84.8-88.4000110.1I290I290-Y292 PolarHBondContact O-N 3.1Å
293Q38.6Very low39.9Very low133 Ų133114 Ų11462%0.62161%0.612SS**  trans-1295172.1-142.5-167.1-65.500113P291P291-Q293 PolarHBondContact O-N 3.38Å
294M35.7Very low40.1Very low143 Ų143110 Ų11070%0.70460%0.602SS**  trans-104.44816953.7-172.2157.200110.7I290I290-M294 HydrophobicContact CB-CE 3.96Å; I290-M294 HydrophobicContact CD1-CE 3.69Å; I290-M294 HydrophobicContact CG1-CE 4.41Å; I290-M294 HydrophobicContact CG2-CE 3.35Å
295G38.3Very low39.9Very low53 Ų53104.4 Ų104.455%0.54658%0.576SS.*  trans-76.9130.7159.400000108.6N297G295-N297 PolarHBondContact O-N 3.38Å
296I37.5Very low40Very low147 Ų14797.7 Ų97.775%0.75455%0.548SS*.  trans-60.4123.3169.8-63.1170.3000107W298I296-W298 HydrophobicContact CG2-CE3 3.97Å; I296-W298 PolarHBondContact O-N 3.34Å
297N43Very low40.1Very low122 Ų12298.3 Ų98.365%0.65256%0.56SS**  trans-7241.7-170-62.7-67.4000114.4G295 G299G295-N297 PolarHBondContact O-N 3.38Å; N297-G299 PolarHBondContact O-N 3.09Å
298W30.5Very low40.3Very low237 Ų237102.8 Ų102.890%0.89858%0.578SS**SBendtrans-80.1116.4176.5-126.1-60.9000110.1I296 D300I296-W298 HydrophobicContact CG2-CE3 3.97Å; I296-W298 PolarHBondContact O-N 3.34Å; W298-D300 VanDerWaalsContact C-N 3.31Å; W298-D300 PolarHBondContact O-N 3.03Å
299G43.4Very low40.2Very low80 Ų80103 Ų10383%0.82558%0.579SS**SBendtrans79.64.6174.300000115.8N297 S301N297-G299 PolarHBondContact O-N 3.09Å; G299-S301 PolarHBondContact O-N 3.49Å
300D37.5Very low39.9Very low92 Ų92103.6 Ų103.649%0.49258%0.582SS.*  trans-76.8121-176.8-152.915.8000110.6W298 K305W298-D300 VanDerWaalsContact C-N 3.31Å; W298-D300 PolarHBondContact O-N 3.03Å; D300-K305 WeakPolarHBondContact OD2-CE 3.4Å; D300-K305 IonicContact OD2-NZ 3.54Å; D300-K305 PolarHBondContact OD2-NZ 3.2Å
301S40Very low40.1Very low44 Ų44102.9 Ų102.931%0.30858%0.584SS.*  trans-65.8136.9175.1178.30000109.3G299 A303G299-S301 PolarHBondContact O-N 3.49Å; S301-A303 PolarHBondContact O-N 2.88Å; S301-A303 WeakPolarHBondContact OG-CB 3.29Å; S301-A303 PolarHBondContact OG-N 2.58Å
302Q42.4Very low40.1Very low148 Ų148104.3 Ų104.369%0.69258%0.578SS**SBendtrans-65-7.4171.6-119.370-3200112.3G304 K305Q302-G304 PolarHBondContact O-N 2.89Å; Q302-K305 PolarHBondContact O-N 2.98Å
303A41.5Very low40.1Very low61 Ų61102.1 Ų102.150%0.50457%0.574SS.*THydrogen-bonded Turntrans-56.8130.1172.900000111.1S301 K305S301-A303 PolarHBondContact O-N 2.88Å; S301-A303 WeakPolarHBondContact OG-CB 3.29Å; S301-A303 PolarHBondContact OG-N 2.58Å; A303-K305 VanDerWaalsContact C-N 3.3Å; A303-K305 PolarHBondContact O-N 3.04Å
304G45.8Very low40.1Very low36 Ų3699.7 Ų99.737%0.37157%0.568SS.*THydrogen-bonded Turntrans82.3-12.6-179.600000115.9Q302 V360Q302-G304 PolarHBondContact O-N 2.89Å; G304-V360 VanDerWaalsContact O-CG2 3.23Å; G304-V360 WeakPolarHBondContact O-CG2 3.49Å
305K43.6Very low40.1Very low58 Ų5899.2 Ų99.225%0.25256%0.563SS.*PPolyproline II helixtrans-74.5134.4175.7-66.4-177.9-177.4172.90110.5D300 Q302 A303D300-K305 WeakPolarHBondContact OD2-CE 3.4Å; D300-K305 IonicContact OD2-NZ 3.54Å; D300-K305 PolarHBondContact OD2-NZ 3.2Å; Q302-K305 PolarHBondContact O-N 2.98Å; A303-K305 VanDerWaalsContact C-N 3.3Å; A303-K305 PolarHBondContact O-N 3.04Å
306T46.1Very low40Very low20 Ų20100.3 Ų100.312%0.12356%0.559CS.*PPolyproline II helixtrans-62.8141.3170.651.70000110R312T306-R312 HydrophobicContact CG2-CG 4.19Å; T306-R312 VanDerWaalsContact OG1-CG 3.25Å; T306-R312 WeakPolarHBondContact OG1-CG 3.44Å; T306-R312 PolarHBondContact OG1-NH1 3.45Å
307G41.7Very low39.9Very low47 Ų4799.8 Ų99.849%0.48556%0.557SS.*PPolyproline II helixtrans-55.8152.8177.500000112.1G309 M310G307-G309 PolarHBondContact O-N 2.85Å; G307-G309 VanDerWaalsContact O-N 3.17Å; G307-M310 PolarHBondContact O-N 3.21Å; G307-M310 VanDerWaalsContact O-N 3.16Å
308F42.5Very low39.4Very low230 Ų230104.4 Ų104.4100%1.00957%0.567SS**THydrogen-bonded Turntrans-52.5122177.1-176.7-99.1000110.3
309G39.4Very low39.7Very low75 Ų7597.9 Ų97.977%0.77355%0.554SS**THydrogen-bonded Turntrans98.1-7.3178.200000116.5G307G307-G309 PolarHBondContact O-N 2.85Å; G307-G309 VanDerWaalsContact O-N 3.17Å
310M35.4Very low39.4Very low79 Ų79100.2 Ų100.239%0.38955%0.547SS..PPolyproline II helixtrans-91.4139.4176.3-95.5162.870.800113.3G307 R312G307-M310 PolarHBondContact O-N 3.21Å; G307-M310 VanDerWaalsContact O-N 3.16Å; M310-R312 PolarHBondContact O-N 3.2Å
311P41.6Very low39.7Very low98 Ų98100.1 Ų100.164%0.63655%0.547SS*.PPolyproline II helixtrans-63.9131.1171.826.5-32000110.2Q313P311-Q313 PolarHBondContact O-N 2.83Å
312R39.9Very low39.7Very low118 Ų118104.3 Ų104.345%0.44556%0.564SS.*PPolyproline II helixtrans-76.9119170.9-71.2175.5-141.8-81.9-6.9108.2T306 M310 V314T306-R312 HydrophobicContact CG2-CG 4.19Å; T306-R312 VanDerWaalsContact OG1-CG 3.25Å; T306-R312 WeakPolarHBondContact OG1-CG 3.44Å; T306-R312 PolarHBondContact OG1-NH1 3.45Å; M310-R312 PolarHBondContact O-N 3.2Å; R312-V314 VanDerWaalsContact C-N 3.3Å; R312-V314 HydrophobicContact CB-CG2 4.2Å; R312-V314 PolarHBondContact O-N 3.38Å
313Q36.9Very low39.6Very low123 Ų123109.4 Ų109.458%0.57558%0.577SS**  trans-73.389.8165.5-69.5-80.8-1.300107.2P311 F315P311-Q313 PolarHBondContact O-N 2.83Å; Q313-F315 HydrophobicContact CB-CE2 4.19Å; Q313-F315 PolarHBondContact O-N 3.25Å
314V39.4Very low39.7Very low82 Ų82109.3 Ų109.350%0.49758%0.582SS.*  trans-83.997.3167.6-170.90000105.7R312 T316R312-V314 VanDerWaalsContact C-N 3.3Å; R312-V314 HydrophobicContact CB-CG2 4.2Å; R312-V314 PolarHBondContact O-N 3.38Å; V314-T316 HydrophobicContact CG1-CG2 3.71Å; V314-T316 PolarHBondContact O-N 3.14Å
315F36.6Very low39.7Very low134 Ų134116.8 Ų116.859%0.58861%0.607SS**  trans-69.885.2164.1-67.3-75.5000107.3Q313 N317Q313-F315 HydrophobicContact CB-CE2 4.19Å; Q313-F315 PolarHBondContact O-N 3.25Å; F315-N317 PolarHBondContact O-N 3.41Å; F315-N317 VanDerWaalsContact O-N 3.09Å
316T36.3Very low39.7Very low76 Ų76119.2 Ų119.247%0.46662%0.622SS.*  trans-70.199.7163.951.80000106.3V314 Y318V314-T316 HydrophobicContact CG1-CG2 3.71Å; V314-T316 PolarHBondContact O-N 3.14Å; T316-Y318 PolarHBondContact O-N 3.38Å
317N33.5Very low39.5Very low136 Ų136122.1 Ų122.173%0.72764%0.641SS**  trans-61.8108.4168.3-68.3-13.7000106.9F315 T319F315-N317 PolarHBondContact O-N 3.41Å; F315-N317 VanDerWaalsContact O-N 3.09Å; N317-T319 VanDerWaalsContact C-N 3.31Å; N317-T319 PolarHBondContact O-N 3.43Å; N317-T319 PolarHBondContact O-OG1 3.32Å
318Y34.4Very low39.7Very low218 Ų218127.3 Ų127.386%0.85565%0.653SS**  trans-60.799.4168.4-65-85.9000106.6T316T316-Y318 PolarHBondContact O-N 3.38Å
319T36.8Very low39.7Very low100 Ų100125.1 Ų125.161%0.61365%0.646SS**  trans-92.8106.1174.7-30.80000105.1N317 D321N317-T319 VanDerWaalsContact C-N 3.31Å; N317-T319 PolarHBondContact O-N 3.43Å; N317-T319 PolarHBondContact O-OG1 3.32Å; T319-D321 PolarHBondContact O-N 3.47Å
320D35.3Very low39.9Very low129 Ų129125.1 Ų125.169%0.6963%0.628SS**  trans-61.4101.2179.8-168.84.4000108.9I322D320-I322 PolarHBondContact O-N 3.49Å; D320-I322 WeakPolarHBondContact OD1-CG1 3.3Å
321D45Very low40.1Very low91 Ų91124.9 Ų124.949%0.48764%0.638SS.*  trans-84.560.7-178.754.4-18000110.5T319 R323 R367T319-D321 PolarHBondContact O-N 3.47Å; D321-R323 PolarHBondContact O-N 3.44Å; D321-R367 IonicContact OD2-CZ 2.7Å; D321-R367 IonicContact OD2-NH1 2.6Å; D321-R367 PolarHBondContact OD2-NH1 3.4Å; D321-R367 IonicContact OD2-NH2 2.7Å; D321-R367 PolarHBondContact OD2-NH2 3.15Å
322I40.2Very low39.8Very low132 Ų132129.5 Ų129.568%0.67764%0.643SS**  trans-69.176.8163.2-51.3177.5000107.9D320 G324D320-I322 PolarHBondContact O-N 3.49Å; D320-I322 WeakPolarHBondContact OD1-CG1 3.3Å; I322-G324 PolarHBondContact O-N 2.98Å
323R39.4Very low39.4Very low255 Ų255131 Ų13196%0.96266%0.657SS**SBendtrans42.89.6161.3-66.8-175.3176.4136.3-1.5118.7D321D321-R323 PolarHBondContact O-N 3.44Å
324G43.1Very low39.4Very low58 Ų58130 Ų13060%0.59866%0.661SS**PPolyproline II helixtrans-93.5135.7179.500000108.2I322 L326I322-G324 PolarHBondContact O-N 2.98Å; G324-L326 PolarHBondContact O-N 2.94Å
325E47.7Very low39.5Very low194 Ų194133.7 Ų133.791%0.90768%0.678SS**PPolyproline II helixtrans-47.6134.9166.1-64177.1171.300108.8
326L42.1Very low39.5Very low109 Ų109132.5 Ų132.557%0.57168%0.682SS**PPolyproline II helixtrans-48.2136.2176.3-89.8150.6000108.8G324 E328 L330G324-L326 PolarHBondContact O-N 2.94Å; L326-E328 PolarHBondContact O-N 3.32Å; L326-L330 HydrophobicContact CD2-CB 4.41Å; L326-L330 HydrophobicContact CD2-CD1 4.41Å
327P42.8Very low39.4Very low80 Ų80133.2 Ų133.252%0.51969%0.688SS.*PPolyproline II helixtrans-47.8132.6175.5-2632.6000110E329 L330 A331P327-E329 PolarHBondContact O-N 3.39Å; P327-L330 PolarHBondContact O-N 3.03Å; P327-A331 PolarHBondContact O-N 3.04Å
328E45.8Very low39.7Very low157 Ų157136 Ų13673%0.73469%0.693SS**Hα-helixtrans-53.1-25.9-174.1-70.6-176.4165.800112.7L326 L330 A331 R332L326-E328 PolarHBondContact O-N 3.32Å; E328-L330 PolarHBondContact O-N 3.22Å; E328-A331 PolarHBondContact O-N 3.44Å; E328-R332 VanDerWaalsContact O-CB 3.27Å; E328-R332 WeakPolarHBondContact O-CB 3.49Å; E328-R332 PolarHBondContact O-N 2.92Å
329E41.7Very low39.3Very low183 Ų183134.8 Ų134.886%0.85569%0.688SS**Hα-helixtrans-66.7-31.2176-62.2-179.5174.500113.7P327P327-E329 PolarHBondContact O-N 3.39Å
330L43.3Very low38.9Very low76 Ų76134 Ų13440%0.39869%0.686SS.*Hα-helixtrans-88.6-26.4176.6-75.2163.7000112.5L326 P327 E328 R332 Y364L326-L330 HydrophobicContact CD2-CB 4.41Å; L326-L330 HydrophobicContact CD2-CD1 4.41Å; P327-L330 PolarHBondContact O-N 3.03Å; E328-L330 PolarHBondContact O-N 3.22Å; L330-R332 PolarHBondContact O-N 2.83Å; L330-Y364 HydrophobicContact CD2-CE1 3.95Å; L330-Y364 VanDerWaalsContact CD2-OH 3.3Å; L330-Y364 WeakPolarHBondContact CD2-OH 3.45Å
331A41.1Very low39Very low73 Ų73131.2 Ų131.260%0.60369%0.688SS**Hα-helixtrans-72.9-17.7176.700000113P327 E328P327-A331 PolarHBondContact O-N 3.04Å; E328-A331 PolarHBondContact O-N 3.44Å
332R34Very low38.2Very low196 Ų196134.9 Ų134.974%0.7470%0.704SS**  trans-109.541.9-163.4-149.4-175.9-162147.44.2115.2E328 L330 P334E328-R332 VanDerWaalsContact O-CB 3.27Å; E328-R332 WeakPolarHBondContact O-CB 3.49Å; E328-R332 PolarHBondContact O-N 2.92Å; L330-R332 PolarHBondContact O-N 2.83Å; R332-P334 WeakPolarHBondContact O-CD 3.35Å
333M32.8Very low38.1Very low149 Ų149137.4 Ų137.473%0.73471%0.713SS**SBendtrans-86.5111.3154.1-74.1-162.5173.300108.3D335M333-D335 PolarHBondContact O-N 3.26Å
334P37.1Very low38Very low103 Ų103134.3 Ų134.367%0.66971%0.707SS**  trans-63.8130.7-17126.8-33.6000109.5R332 V336R332-P334 WeakPolarHBondContact O-CD 3.35Å; P334-V336 VanDerWaalsContact C-N 3.27Å; P334-V336 PolarHBondContact O-N 3.45Å
335D40Very low37.6Very low158 Ų158139.5 Ų139.585%0.84572%0.72SS**  trans11.368.3156-58.1-36.6000114.5M333 P337M333-D335 PolarHBondContact O-N 3.26Å; D335-P337 WeakPolarHBondContact O-CD 3.46Å; D335-P337 VanDerWaalsContact O-N 3.12Å
336V37.7Very low37.1Very low110 Ų110133.9 Ų133.967%0.66771%0.707SS**  trans-67.1113.8165.8-80.30000104.9P334 F338P334-V336 VanDerWaalsContact C-N 3.27Å; P334-V336 PolarHBondContact O-N 3.45Å; V336-F338 PolarHBondContact O-N 3.43Å
337P34.4Very low36.9Very low91 Ų91132.6 Ų132.659%0.59171%0.707SS**  trans-55.6141.6177.6-18.831000106.9D335 W339 S340D335-P337 WeakPolarHBondContact O-CD 3.46Å; D335-P337 VanDerWaalsContact O-N 3.12Å; P337-W339 PolarHBondContact O-N 3.04Å; P337-S340 PolarHBondContact O-N 2.88Å; P337-S340 VanDerWaalsContact O-N 3.11Å
338F38.2Very low36.5Very low193 Ų193136.4 Ų136.485%0.84672%0.718SS**THydrogen-bonded Turntrans-50.10.1177.9162.6-116.2000114.7V336V336-F338 PolarHBondContact O-N 3.43Å
339W27Very low36.1Very low194 Ų194132.9 Ų132.974%0.73572%0.716SS**THydrogen-bonded Turntrans-124.312.9-172.7-62.467.3000114.6P337 G341P337-W339 PolarHBondContact O-N 3.04Å; W339-G341 PolarHBondContact O-N 3.49Å
340S29.3Very low36.1Very low82 Ų82127.5 Ų127.557%0.57371%0.709SS**THydrogen-bonded Turntrans-74.126.9-174.374.40000116.1P337P337-S340 PolarHBondContact O-N 2.88Å; P337-S340 VanDerWaalsContact O-N 3.11Å
341G35.7Very low35.7Very low72 Ų72130 Ų13074%0.74272%0.72SS**THydrogen-bonded Turntrans-85.8-8.5175.700000115.2W339W339-G341 PolarHBondContact O-N 3.49Å
342M29.7Very low35.9Very low167 Ų167130 Ų13082%0.82371%0.713SS**SBendtrans-89.4-13-166.4-79.6173.27700116.5
343E36.9Very low36.3Very low186 Ų186124.6 Ų124.687%0.86971%0.711SS**SBendtrans-89.8-11.6-167.8-66.6-161.9168.200115.9
344K37.4Very low36.6Very low190 Ų190127 Ų12783%0.82672%0.722SS**SBendtrans-124.690.8179.5-65-175.7-176.8176.50110.2A346K344-A346 PolarHBondContact O-N 3.28Å
345L36.2Very low36.4Very low166 Ų166125 Ų12587%0.86972%0.721SS**  trans-39.9124.3162.1-69.3163000108.6S347L345-S347 PolarHBondContact O-N 3.41Å
346A37Very low36.1Very low77 Ų77123.7 Ų123.764%0.63671%0.711SS**  trans-46.9101.7-171.600000111.4K344K344-A346 PolarHBondContact O-N 3.28Å
347S36.4Very low36.1Very low82 Ų82123.2 Ų123.257%0.57371%0.71SS**  trans-88.1137.7174.875.20000108.9L345 A349L345-S347 PolarHBondContact O-N 3.41Å; S347-A349 PolarHBondContact O-N 3.04Å
348Q35.3Very low36.4Very low160 Ų160122.2 Ų122.275%0.74870%0.695SS**  trans-75.73.7177.3-143.216120.400112.1G350 M351Q348-G350 PolarHBondContact O-N 3.34Å; Q348-M351 HydrophobicContact CG-CG 4.23Å; Q348-M351 HydrophobicContact CG-SD 3.29Å; Q348-M351 WeakPolarHBondContact CG-SD 3.27Å; Q348-M351 WeakPolarHBondContact O-CG 3.44Å; Q348-M351 PolarHBondContact O-N 3.49Å
349A36.2Very low36.3Very low83 Ų83119 Ų11969%0.68669%0.686SS**THydrogen-bonded Turntrans-67.6124.6-178.800000110.4S347S347-A349 PolarHBondContact O-N 3.04Å
350G43Very low36.9Very low70 Ų70113.4 Ų113.472%0.72267%0.674SS**THydrogen-bonded Turntrans103.44.3-17800000115Q348 T352Q348-G350 PolarHBondContact O-N 3.34Å; G350-T352 PolarHBondContact O-N 2.9Å
351M35.3Very low37.1Very low127 Ų127118.8 Ų118.863%0.62669%0.687SS**  trans-70.197.7169.5-70.8-172.469.400111.1Q348Q348-M351 HydrophobicContact CG-CG 4.23Å; Q348-M351 HydrophobicContact CG-SD 3.29Å; Q348-M351 WeakPolarHBondContact CG-SD 3.27Å; Q348-M351 WeakPolarHBondContact O-CG 3.44Å; Q348-M351 PolarHBondContact O-N 3.49Å
352T43.9Very low37.2Very low73 Ų73118.4 Ų118.445%0.44868%0.682SS.*PPolyproline II helixtrans-72.6154.1158.952.50000110.8G350 R358G350-T352 PolarHBondContact O-N 2.9Å; T352-R358 VanDerWaalsContact N-NH2 3.13Å; T352-R358 PolarHBondContact O-NH2 3.05Å; T352-R358 PolarHBondContact OG1-NE 3.18Å; T352-R358 PolarHBondContact OG1-NH2 3.22Å
353A42.5Very low37.5Very low84 Ų84116.5 Ų116.569%0.69468%0.68SS**PPolyproline II helixtrans-51.8152.4-17600000113.6G355 M356A353-G355 PolarHBondContact O-N 3.05Å; A353-G355 VanDerWaalsContact O-N 3.14Å; A353-M356 PolarHBondContact O-N 3Å
354M39Very low37.5Very low198 Ų198114.1 Ų114.198%0.97566%0.664SS**THydrogen-bonded Turntrans-50.9118.8174.7-73.7-81.6-87.600110.1
355G33.9Very low37.5Very low63 Ų63110.1 Ų110.165%0.64965%0.652SS**THydrogen-bonded Turntrans116.6-8.417500000116.1A353A353-G355 PolarHBondContact O-N 3.05Å; A353-G355 VanDerWaalsContact O-N 3.14Å
356M33.6Very low37.4Very low129 Ų129112 Ų11264%0.63565%0.647SS**  trans-84.5132177.6-141.764.5144.500111.7A353A353-M356 PolarHBondContact O-N 3Å
357P37.1Very low37.2Very low100 Ų100116.2 Ų116.265%0.64965%0.646SS**  trans-60.9143.6171.624.4-31.8000110.8
358R40.5Very low37.1Very low71 Ų71117.8 Ų117.827%0.26865%0.648SS.*  trans-127.9133.1178.7-65.8-169.6-176.5153.44.5110.8T352 V360T352-R358 VanDerWaalsContact N-NH2 3.13Å; T352-R358 PolarHBondContact O-NH2 3.05Å; T352-R358 PolarHBondContact OG1-NE 3.18Å; T352-R358 PolarHBondContact OG1-NH2 3.22Å; R358-V360 PolarHBondContact O-N 3.33Å
359D36.4Very low37Very low125 Ų125124 Ų12467%0.66867%0.665SS**  trans-80.1112.6176.1-61.1-33000110
360V40.3Very low37.1Very low77 Ų77126.1 Ų126.147%0.46766%0.664SS.*  trans-92.8103.7167.3-176.10000106.6G304 R358 G362G304-V360 VanDerWaalsContact O-CG2 3.23Å; G304-V360 WeakPolarHBondContact O-CG2 3.49Å; R358-V360 PolarHBondContact O-N 3.33Å; V360-G362 PolarHBondContact O-N 3.37Å
361K33.8Very low36.8Very low195 Ų195129.1 Ų129.185%0.84866%0.661SS**  trans-64.5100.9171.1-68.9-176.1179.7-178.20108T363K361-T363 PolarHBondContact O-N 3.48Å
362G36.3Very low36.8Very low63 Ų63129.2 Ų129.265%0.64966%0.663SS**  trans-64.4123.7176.700000110.2V360V360-G362 PolarHBondContact O-N 3.37Å
363T36.1Very low36.4Very low127 Ų127132.5 Ų132.578%0.77968%0.675SS**  trans-82143.8175.345.20000110.8K361K361-T363 PolarHBondContact O-N 3.48Å
364Y37.5Very low36Very low136 Ų136135.5 Ų135.553%0.53367%0.674SS.*  trans-20.3135.8-172.7-56.5-84.7000120.7L330L330-Y364 HydrophobicContact CD2-CE1 3.95Å; L330-Y364 VanDerWaalsContact CD2-OH 3.3Å; L330-Y364 WeakPolarHBondContact CD2-OH 3.45Å
365L36.8Very low35.8Very low107 Ų107131.3 Ų131.356%0.5665%0.654SS**  trans-82.6125.3167-74153.8000110L289L289-L365 HydrophobicContact CD2-CD2 4.3Å
366R34.9Very low36Very low206 Ų206136.2 Ų136.278%0.77766%0.655SS**  trans-105.4133.7163.4-117.5-160.8-75.3-137.31.5109.2
367R32.7Very low36.2Very low164 Ų164136.8 Ų136.862%0.61966%0.656SS**  trans-67.1127.7170.3-102.8175.9-84.6-105.91.3109.6L289 D321L289-R367 HydrophobicContact CD2-CG 4.42Å; D321-R367 IonicContact OD2-CZ 2.7Å; D321-R367 IonicContact OD2-NH1 2.6Å; D321-R367 PolarHBondContact OD2-NH1 3.4Å; D321-R367 IonicContact OD2-NH2 2.7Å; D321-R367 PolarHBondContact OD2-NH2 3.15Å
368L33.6Very low36.1Very low116 Ų116139.8 Ų139.861%0.60766%0.657SS**  trans-95100.4163.3-73.3161.3000106.4
369W34.3Very low35.7Very low291 Ų291146.1 Ų146.1100%1.10269%0.692SS**  trans48.80170.838.781000118.9

Retrieved 369 of 369 residues in 166.6 ms (Link to these results)