A0A3Q0KFW8_SCHMA Loading...

Nanos-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KFW8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 234 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M23.6Very low25.1Very low251 Ų251152.4 Ų152.4100%1.23672%0.718SS**  0106.80-125.3178.3-176.800106.9
2M21.8Very low25.3Very low158 Ų158150.9 Ų150.978%0.77872%0.718SS**  trans-96.5118.1-179.7-155.7160.8114.600106.8D4M2-D4 PolarHBondContact O-N 3.49Å
3L23Very low25.3Very low128 Ų128148.9 Ų148.967%0.6771%0.714SS**  trans-72.4112.2179.2-90.1147.5000108.7F5L3-F5 HydrophobicContact CB-CD2 4.01Å; L3-F5 HydrophobicContact CB-CE2 3.5Å; L3-F5 HydrophobicContact CB-CZ 3.86Å; L3-F5 HydrophobicContact CD1-CZ 4.15Å; L3-F5 HydrophobicContact CG-CZ 4.44Å; L3-F5 VanDerWaalsContact O-CD2 3.29Å; L3-F5 WeakPolarHBondContact O-CD2 3.47Å; L3-F5 PolarHBondContact O-N 3.04Å
4D25.2Very low25.6Very low80 Ų80152.9 Ų152.943%0.42872%0.718SS.*  trans-81.289.8170.8-169.91.8000109.2M2 R6 R7M2-D4 PolarHBondContact O-N 3.49Å; D4-R6 PolarHBondContact O-N 2.83Å; D4-R6 VanDerWaalsContact O-N 3.16Å; D4-R6 WeakPolarHBondContact OD1-CB 3.32Å; D4-R6 PolarHBondContact OD1-N 2.91Å; D4-R6 VanDerWaalsContact OD1-N 3.17Å; D4-R7 PolarHBondContact O-N 3.26Å; D4-R7 WeakPolarHBondContact OD2-CD 3.49Å
5F27.3Very low25.7Very low163 Ų163148.6 Ų148.672%0.71571%0.711SS**THydrogen-bonded Turntrans-67-7.8177.7-69.4-84.7000113.1L3 R7L3-F5 HydrophobicContact CB-CD2 4.01Å; L3-F5 HydrophobicContact CB-CE2 3.5Å; L3-F5 HydrophobicContact CB-CZ 3.86Å; L3-F5 HydrophobicContact CD1-CZ 4.15Å; L3-F5 HydrophobicContact CG-CZ 4.44Å; L3-F5 VanDerWaalsContact O-CD2 3.29Å; L3-F5 WeakPolarHBondContact O-CD2 3.47Å; L3-F5 PolarHBondContact O-N 3.04Å; F5-R7 VanDerWaalsContact C-N 3.31Å
6R26.7Very low25.7Very low232 Ų232146.5 Ų146.588%0.87571%0.711SS**THydrogen-bonded Turntrans-83.2-8.3177.8-57.2-177.7-179.9179-0.5113.3D4D4-R6 PolarHBondContact O-N 2.83Å; D4-R6 VanDerWaalsContact O-N 3.16Å; D4-R6 WeakPolarHBondContact OD1-CB 3.32Å; D4-R6 PolarHBondContact OD1-N 2.91Å; D4-R6 VanDerWaalsContact OD1-N 3.17Å
7R25.3Very low25.7Very low208 Ų208149.1 Ų149.179%0.78572%0.721SS**SBendtrans-119.65-176-78.8-174.1164.5-176.1-2.6114.4D4 F5 P9D4-R7 PolarHBondContact O-N 3.26Å; D4-R7 WeakPolarHBondContact OD2-CD 3.49Å; F5-R7 VanDerWaalsContact C-N 3.31Å; R7-P9 WeakPolarHBondContact O-CD 3.32Å
8T26.4Very low25.7Very low68 Ų68151.5 Ų151.542%0.41773%0.728SS.*  trans-95.996.6175.8-27.40000108.4C10T8-C10 PolarHBondContact O-N 3.07Å
9P24.8Very low25.8Very low66 Ų66148.7 Ų148.743%0.42973%0.726SS.*  trans-56.7136.6166.325.3-31.6000107.1R7 Y11 D12R7-P9 WeakPolarHBondContact O-CD 3.32Å; P9-Y11 HydrophobicContact CB-CD2 4.29Å; P9-Y11 PolarHBondContact O-N 3.01Å; P9-D12 PolarHBondContact O-N 2.91Å
10C26.8Very low25.7Very low107 Ų107150 Ų15072%0.72373%0.73SS**THydrogen-bonded Turntrans-56.83.9172.9-61.50000113.7T8T8-C10 PolarHBondContact O-N 3.07Å
11Y25.8Very low25.6Very low215 Ų215148.3 Ų148.384%0.84373%0.728SS**THydrogen-bonded Turntrans-99.4-7.9-172.6-70.7-82.4000114.7P9P9-Y11 HydrophobicContact CB-CD2 4.29Å; P9-Y11 PolarHBondContact O-N 3.01Å
12D26.6Very low25.5Very low135 Ų135141.9 Ų141.972%0.72271%0.708SS**SBendtrans-103.55.8-177.8-88.7-28000115.1P9P9-D12 PolarHBondContact O-N 2.91Å
13L26.4Very low25.6Very low125 Ų125141.1 Ų141.165%0.65471%0.707SS**SBendtrans-109.792.8174.2-73.4162.4000109.3
14W28.9Very low25.6Very low205 Ų205143.8 Ų143.878%0.77772%0.716SS**  trans108.979.7170.1-68.9-68.6000118.6T16W14-T16 PolarHBondContact O-N 3Å
15S27.2Very low25.5Very low88 Ų88147.1 Ų147.162%0.61573%0.734SS**  9.497.7118.1166.70000116.9Q17S15-Q17 PolarHBondContact O-N 2.81Å
16T24.9Very low25.2Very low115 Ų115144.5 Ų144.571%0.70673%0.731SS**  trans13.592.4142.858.60000117.3W14W14-T16 PolarHBondContact O-N 3Å
17Q27.2Very low24.9Very low190 Ų190139.1 Ų139.189%0.88873%0.729SS**  trans-129.696.9150.4-135.3178.714.300107.4S15 S19S15-Q17 PolarHBondContact O-N 2.81Å; Q17-S19 PolarHBondContact O-N 3.21Å; Q17-S19 VanDerWaalsContact O-N 3.11Å
18K25.2Very low24.8Very low193 Ų193138.9 Ų138.984%0.83973%0.73SS**  trans-63.4108.4168.2-82.9-174171-166.50107.1
19S26.7Very low24.6Very low98 Ų98143 Ų14369%0.68576%0.755SS**  trans-10889.3164.9169.10000106.1Q17 V21Q17-S19 PolarHBondContact O-N 3.21Å; Q17-S19 VanDerWaalsContact O-N 3.11Å; S19-V21 PolarHBondContact O-N 3.33Å
20E23.7Very low24.5Very low174 Ų174142.3 Ų142.381%0.81376%0.759SS**  trans-69.3103.5166.6-77.6169.8-17500107.3
21V24.4Very low24.4Very low115 Ų115141.4 Ų141.470%0.69775%0.753SS**  trans-104.7105.7164-176.90000105.5S19 D23S19-V21 PolarHBondContact O-N 3.33Å; V21-D23 PolarHBondContact O-N 3.16Å
22S22.3Very low24.3Very low116 Ų116136.5 Ų136.581%0.81176%0.757SS**  trans-78.5109.7171.566.20000108.3
23D24.1Very low24.2Very low142 Ų142133.9 Ų133.976%0.75976%0.762SS**  trans-121.3132.9151.9-100.6-37.3000107.6V21 N25V21-D23 PolarHBondContact O-N 3.16Å; D23-N25 PolarHBondContact O-N 3.2Å
24E22.7Very low24.2Very low185 Ų185133.6 Ų133.686%0.86475%0.753SS**SBendtrans-61.4118.9-174.4-62.9175.5162.700109.2
25N22.2Very low24Very low150 Ų150127 Ų12780%0.80273%0.732SS**SBendtrans88.8104.6-176.3-50.8-45.9000115.1D23D23-N25 PolarHBondContact O-N 3.2Å
26V22Very low24Very low107 Ų107127.2 Ų127.265%0.64873%0.732SS**  trans88.292.1168.4-157.30000115.5Y28V26-Y28 HydrophobicContact CB-CD2 4.2Å; V26-Y28 HydrophobicContact CB-CE2 4.12Å; V26-Y28 HydrophobicContact CG1-CD2 3.45Å; V26-Y28 VanDerWaalsContact CG1-CD2 3.45Å; V26-Y28 HydrophobicContact CG1-CE2 3.25Å; V26-Y28 HydrophobicContact CG1-CG 4.39Å; V26-Y28 PolarHBondContact O-N 2.97Å
27S19.8Very low24.1Very low120 Ų120125.4 Ų125.484%0.83972%0.724SS**  trans-71.387.6165.831.40000110.9V29S27-V29 PolarHBondContact O-N 2.85Å
28Y22.4Very low24.1Very low202 Ų202119.2 Ų119.279%0.79270%0.696SS**  trans-76.6109.7165.6-84.5-84.2000110V26 G30V26-Y28 HydrophobicContact CB-CD2 4.2Å; V26-Y28 HydrophobicContact CB-CE2 4.12Å; V26-Y28 HydrophobicContact CG1-CD2 3.45Å; V26-Y28 VanDerWaalsContact CG1-CD2 3.45Å; V26-Y28 HydrophobicContact CG1-CE2 3.25Å; V26-Y28 HydrophobicContact CG1-CG 4.39Å; V26-Y28 PolarHBondContact O-N 2.97Å; Y28-G30 PolarHBondContact O-N 2.99Å
29V21.8Very low24.2Very low155 Ų155112.5 Ų112.594%0.93967%0.673SS**  trans-76.867.3158.6-173.50000106.9S27S27-V29 PolarHBondContact O-N 2.85Å
30G23.9Very low24.3Very low51 Ų51112.8 Ų112.853%0.52667%0.667SS.*  trans-100.8132.4-179.300000109.8Y28 A32Y28-G30 PolarHBondContact O-N 2.99Å; G30-A32 PolarHBondContact O-N 3.15Å
31C24.9Very low24.6Very low88 Ų88108.2 Ų108.260%0.59565%0.653SS**  trans-49.7101174.5-66.70000110.5G33 Y34C31-G33 PolarHBondContact O-N 3.2Å; C31-Y34 HydrophobicContact CB-CD2 3.28Å; C31-Y34 HydrophobicContact CB-CE2 3.77Å; C31-Y34 HydrophobicContact CB-CG 4.08Å; C31-Y34 PolarHBondContact O-N 3.04Å
32A22.6Very low24.9Very low113 Ų113106 Ų10693%0.93464%0.637SS**THydrogen-bonded Turntrans-63103.4175.500000108.4G30G30-A32 PolarHBondContact O-N 3.15Å
33G24.5Very low25.4Very low79 Ų79104.6 Ų104.681%0.81462%0.619SS**THydrogen-bonded Turntrans127.7-2.9-175.600000115C31 I35C31-G33 PolarHBondContact O-N 3.2Å; G33-I35 PolarHBondContact O-N 3.48Å
34Y26Very low25.9Very low119 Ų119101.2 Ų101.247%0.46760%0.601SS.*  trans-68.1118.1173.4-112.6-115.3000110.9C31 P36 C39C31-Y34 HydrophobicContact CB-CD2 3.28Å; C31-Y34 HydrophobicContact CB-CE2 3.77Å; C31-Y34 HydrophobicContact CB-CG 4.08Å; C31-Y34 PolarHBondContact O-N 3.04Å; Y34-P36 VanDerWaalsContact O-CD 3.27Å; Y34-P36 WeakPolarHBondContact O-CD 3.45Å; Y34-C39 HydrophobicContact CE1-CB 3.87Å
35I26.5Very low26.3Very low67 Ų6792.9 Ų92.934%0.34456%0.564SS.*  trans-82.1104.1146.6-63.5172.8000104.4G33 S37 L38G33-I35 PolarHBondContact O-N 3.48Å; I35-S37 WeakPolarHBondContact CG2-OG 3.36Å; I35-S37 PolarHBondContact O-N 3.43Å; I35-L38 HydrophobicContact CB-CD1 4.22Å; I35-L38 HydrophobicContact CD1-CD1 3.95Å; I35-L38 HydrophobicContact CG2-CB 4.44Å; I35-L38 HydrophobicContact CG2-CD1 3.91Å; I35-L38 HydrophobicContact CG2-CG 4.31Å; I35-L38 PolarHBondContact O-N 3.3Å
36P26.4Very low26.7Very low93 Ų9390.4 Ų90.460%0.60455%0.55SS**Hα-helixtrans-60.3-18.1-174.7-20.934.1000113.2Y34Y34-P36 VanDerWaalsContact O-CD 3.27Å; Y34-P36 WeakPolarHBondContact O-CD 3.45Å
37S26Very low27.1Very low77 Ų7790.3 Ų90.354%0.53855%0.546SS..Hα-helixtrans-84.7-8.7-177.660.60000115.8I35I35-S37 WeakPolarHBondContact CG2-OG 3.36Å; I35-S37 PolarHBondContact O-N 3.43Å
38L26.9Very low27.7Very low59 Ų5991.7 Ų91.731%0.30954%0.537SS..Hα-helixtrans-109.9-16-173.8-84.1160.9000114.6I35 L42 I178I35-L38 HydrophobicContact CB-CD1 4.22Å; I35-L38 HydrophobicContact CD1-CD1 3.95Å; I35-L38 HydrophobicContact CG2-CB 4.44Å; I35-L38 HydrophobicContact CG2-CD1 3.91Å; I35-L38 HydrophobicContact CG2-CG 4.31Å; I35-L38 PolarHBondContact O-N 3.3Å; L38-L42 WeakPolarHBondContact O-CB 3.18Å; L38-I178 HydrophobicContact CD1-CD1 4.18Å
39C27.9Very low28Very low53 Ų5387 Ų8736%0.35853%0.525SS..Hα-helixtrans-97.9-31.5-177-71.40000112.8Y34 L43Y34-C39 HydrophobicContact CE1-CB 3.87Å; C39-L43 WeakPolarHBondContact O-CB 3.16Å; C39-L43 PolarHBondContact O-N 3.4Å
40D30.2Very low28.2Very low103 Ų10383.4 Ų83.455%0.55151%0.507SS*.Hα-helixtrans-73.8-43.8-178.4-68.6-20.7000113.2L42 D44D40-L42 VanDerWaalsContact C-N 3.34Å; D40-L42 PolarHBondContact O-N 3.29Å; D40-D44 WeakPolarHBondContact O-CB 3.38Å; D40-D44 PolarHBondContact O-N 3.31Å
41P29.3Very low28.2Very low79 Ų7987.9 Ų87.951%0.51352%0.517SS..Hα-helixtrans-71.6-29.8179-16.330.4000112.9A45P41-A45 WeakPolarHBondContact O-CA 3.46Å; P41-A45 WeakPolarHBondContact O-CB 3.43Å; P41-A45 PolarHBondContact O-N 3.13Å
42L31Very low28.2Very low69 Ų6988.1 Ų88.136%0.36152%0.52SS..Hα-helixtrans-80.6-39.8-178.6-117.7149000111.2L38 D40 L46L38-L42 WeakPolarHBondContact O-CB 3.18Å; D40-L42 VanDerWaalsContact C-N 3.34Å; D40-L42 PolarHBondContact O-N 3.29Å; L42-L46 HydrophobicContact CD2-CD1 4.17Å; L42-L46 WeakPolarHBondContact O-CB 3.42Å; L42-L46 VanDerWaalsContact O-CD1 3.31Å; L42-L46 WeakPolarHBondContact O-CD1 3.34Å; L42-L46 WeakPolarHBondContact O-CG 3.27Å; L42-L46 PolarHBondContact O-N 2.96Å
43L33.2Very low28.3Very low86 Ų8688 Ų8845%0.4551%0.51SS..Hα-helixtrans-71.7-37.1173.6-15875.6000110.9C39 L46 N47C39-L43 WeakPolarHBondContact O-CB 3.16Å; C39-L43 PolarHBondContact O-N 3.4Å; L43-L46 PolarHBondContact O-N 3.01Å; L43-N47 WeakPolarHBondContact O-CB 3.29Å; L43-N47 PolarHBondContact O-N 2.68Å; L43-N47 PolarHBondContact O-ND2 2.83Å
44D33.3Very low28.3Very low70 Ų7090.5 Ų90.537%0.37451%0.509SS..Hα-helixtrans-71.5-37.7174.3-165.741.3000111.9D40 N47 K48D40-D44 WeakPolarHBondContact O-CB 3.38Å; D40-D44 PolarHBondContact O-N 3.31Å; D44-N47 PolarHBondContact O-N 3.35Å; D44-K48 VanDerWaalsContact O-CB 3.22Å; D44-K48 WeakPolarHBondContact O-CB 3.45Å; D44-K48 WeakPolarHBondContact O-CD 3.35Å; D44-K48 WeakPolarHBondContact O-CG 3.44Å; D44-K48 PolarHBondContact O-N 2.87Å; D44-K48 WeakPolarHBondContact OD1-CE 3.23Å; D44-K48 IonicContact OD1-NZ 3.67Å; D44-K48 VanDerWaalsContact OD2-CE 3.24Å; D44-K48 WeakPolarHBondContact OD2-CE 3.36Å; D44-K48 IonicContact OD2-NZ 2.65Å; D44-K48 PolarHBondContact OD2-NZ 3.34Å
45A30.6Very low28.1Very low10 Ų1088.5 Ų88.58%0.08351%0.512CS..Hα-helixtrans-65.9-39170.600000112.7P41 K48 L49 L188P41-A45 WeakPolarHBondContact O-CA 3.46Å; P41-A45 WeakPolarHBondContact O-CB 3.43Å; P41-A45 PolarHBondContact O-N 3.13Å; A45-K48 PolarHBondContact O-N 3.35Å; A45-L49 WeakPolarHBondContact O-CB 3.49Å; A45-L49 WeakPolarHBondContact O-CD1 3.46Å; A45-L49 VanDerWaalsContact O-CG 3.28Å; A45-L49 WeakPolarHBondContact O-CG 3.19Å; A45-L49 PolarHBondContact O-N 2.97Å; A45-L188 HydrophobicContact CB-CD1 3.77Å; A45-L188 HydrophobicContact CB-CD2 3.93Å; A45-L188 HydrophobicContact CB-CG 4.4Å
46L31.7Very low28.1Very low98 Ų9891.1 Ų91.151%0.51353%0.534SS..Hα-helixtrans-71.5-33.7175.4-72.7166.6000111.9L42 L43 S50L42-L46 HydrophobicContact CD2-CD1 4.17Å; L42-L46 WeakPolarHBondContact O-CB 3.42Å; L42-L46 VanDerWaalsContact O-CD1 3.31Å; L42-L46 WeakPolarHBondContact O-CD1 3.34Å; L42-L46 WeakPolarHBondContact O-CG 3.27Å; L42-L46 PolarHBondContact O-N 2.96Å; L43-L46 PolarHBondContact O-N 3.01Å; L46-S50 PolarHBondContact O-N 3.03Å
47N30.4Very low28Very low105 Ų10593.7 Ų93.756%0.56154%0.542SS*.Hα-helixtrans-73.3-29.5172.6-75.8-22.3000112.7L43 D44 S50L43-N47 WeakPolarHBondContact O-CB 3.29Å; L43-N47 PolarHBondContact O-N 2.68Å; L43-N47 PolarHBondContact O-ND2 2.83Å; D44-N47 PolarHBondContact O-N 3.35Å; N47-S50 WeakPolarHBondContact O-CB 3.29Å
48K32.6Very low28Very low149 Ų149100.9 Ų100.965%0.64856%0.557SS**Hα-helixtrans-83.7-25.4174.2-72.7169177.1170.50113.2D44 A45 S50D44-K48 VanDerWaalsContact O-CB 3.22Å; D44-K48 WeakPolarHBondContact O-CB 3.45Å; D44-K48 WeakPolarHBondContact O-CD 3.35Å; D44-K48 WeakPolarHBondContact O-CG 3.44Å; D44-K48 PolarHBondContact O-N 2.87Å; D44-K48 WeakPolarHBondContact OD1-CE 3.23Å; D44-K48 IonicContact OD1-NZ 3.67Å; D44-K48 VanDerWaalsContact OD2-CE 3.24Å; D44-K48 WeakPolarHBondContact OD2-CE 3.36Å; D44-K48 IonicContact OD2-NZ 2.65Å; D44-K48 PolarHBondContact OD2-NZ 3.34Å; A45-K48 PolarHBondContact O-N 3.35Å; K48-S50 VanDerWaalsContact C-N 3.33Å
49L27.7Very low28Very low104 Ų104105.9 Ų105.955%0.54558%0.584SS.*SBendtrans-82.3-11.2169.1-78.8160.5000112.8A45 I51 L188 I192A45-L49 WeakPolarHBondContact O-CB 3.49Å; A45-L49 WeakPolarHBondContact O-CD1 3.46Å; A45-L49 VanDerWaalsContact O-CG 3.28Å; A45-L49 WeakPolarHBondContact O-CG 3.19Å; A45-L49 PolarHBondContact O-N 2.97Å; L49-I51 PolarHBondContact O-N 2.99Å; L49-L188 HydrophobicContact CD1-CD2 4.24Å; L49-I192 HydrophobicContact CD1-CD1 4.22Å
50S25.9Very low27.7Very low79 Ų79109.4 Ų109.455%0.55261%0.609SS**SBendtrans-67.686.8162.2156.10000108.2L46 N47 K48 S52L46-S50 PolarHBondContact O-N 3.03Å; N47-S50 WeakPolarHBondContact O-CB 3.29Å; K48-S50 VanDerWaalsContact C-N 3.33Å; S50-S52 PolarHBondContact O-N 2.87Å; S50-S52 VanDerWaalsContact O-N 3.13Å
51I25.6Very low27.4Very low146 Ų146107.2 Ų107.275%0.74961%0.61SS**  trans-26113.6164.3-60.2161.8000109.5L49L49-I51 PolarHBondContact O-N 2.99Å
52S23.8Very low27.1Very low93 Ų93110.7 Ų110.765%0.6562%0.623SS**  trans-38128170.8-177.20000109.7S50 V54S50-S52 PolarHBondContact O-N 2.87Å; S50-S52 VanDerWaalsContact O-N 3.13Å; S52-V54 PolarHBondContact O-N 2.93Å
53P23.9Very low26.8Very low111 Ų111110.3 Ų110.372%0.72164%0.636SS**  trans-60.3109.7168.625.9-29.4000105.4S55P53-S55 PolarHBondContact O-N 3.07Å
54V24.5Very low26.4Very low130 Ų130115.6 Ų115.679%0.78865%0.651SS**  trans-45.8115.9161.3174.60000105.1S52S52-V54 PolarHBondContact O-N 2.93Å
55S23.6Very low25.9Very low78 Ų78119.5 Ų119.555%0.54567%0.667SS.*  trans-34.1128.9-179.149.30000111.4P53 D57P53-S55 PolarHBondContact O-N 3.07Å; S55-D57 PolarHBondContact O-N 2.1Å
56P25.4Very low25.6Very low122 Ų122125.5 Ų125.579%0.79270%0.703SS**G310 helixtrans-68.36.3-174.725.9-31.8000114.8R58P56-R58 PolarHBondContact O-N 3.47Å
57D25.4Very low25.3Very low147 Ų147124.3 Ų124.379%0.78671%0.714SS**G310 helixtrans-89.79.2-171.5-73.2-25.4000116S55S55-D57 PolarHBondContact O-N 2.1Å
58R25.2Very low24.9Very low227 Ų227123.2 Ų123.286%0.85771%0.708SS**G310 helixtrans-13613.3-176.7-80.5-161.9166.3-167.1-3.3118.7P56P56-R58 PolarHBondContact O-N 3.47Å
59L26Very low24.5Very low165 Ų165123.8 Ų123.886%0.86472%0.718SS**  trans-122.566.6166-71.9166.4000109.6G61L59-G61 PolarHBondContact O-N 2.89Å
60S23.2Very low24.4Very low127 Ų127126.1 Ų126.189%0.88873%0.73SS**  trans-66.3117.5154.366.30000107.1
61G22.6Very low24.2Very low56 Ų56127.9 Ų127.958%0.57774%0.737SS**SBendtrans134.9104.9176.100000112.2L59L59-G61 PolarHBondContact O-N 2.89Å
62I24.7Very low24.2Very low152 Ų152125.4 Ų125.478%0.77973%0.731SS**  trans81.592.4154.8-43162.5000112.3
63G23.6Very low24.1Very low61 Ų61126.9 Ų126.963%0.62974%0.736SS**  trans-59.4138.8-179.300000113.3
64Y24.4Very low24.1Very low198 Ų198126.6 Ų126.678%0.77673%0.731SS**  trans-108.6121.9161.3-67.5-83.5000106.8D68Y64-D68 VanDerWaalsContact CA-OD2 3.29Å; Y64-D68 WeakPolarHBondContact CA-OD2 3.21Å
65H23.9Very low24Very low152 Ų152130.9 Ų130.970%0.70473%0.734SS**  trans-89.9146.4-177.2-74.8-79.8000109.7G67 D68H65-G67 PolarHBondContact O-N 3.5Å; H65-D68 PolarHBondContact N-OD2 3.21Å; H65-D68 PolarHBondContact O-N 2.67Å
66T24.2Very low23.9Very low135 Ų135132.2 Ų132.283%0.82874%0.735SS**THydrogen-bonded Turntrans-57101169.2-34.90000108.7W232T66-W232 HydrophobicContact CG2-CZ3 4.17Å
67G24.2Very low23.9Very low73 Ų73132 Ų13275%0.75373%0.733SS**THydrogen-bonded Turntrans140.5-14.6-168.200000113.7H65 N69H65-G67 PolarHBondContact O-N 3.5Å; G67-N69 PolarHBondContact O-N 2.95Å
68D23.4Very low23.7Very low83 Ų83131.6 Ų131.644%0.44473%0.731SS.*  trans-70.4118.3176.9-68.4-29.1000111.1Y64 H65 I70Y64-D68 VanDerWaalsContact CA-OD2 3.29Å; Y64-D68 WeakPolarHBondContact CA-OD2 3.21Å; H65-D68 PolarHBondContact N-OD2 3.21Å; H65-D68 PolarHBondContact O-N 2.67Å; D68-I70 VanDerWaalsContact C-N 3.33Å; D68-I70 PolarHBondContact O-N 2.89Å
69N23.6Very low23.7Very low161 Ų161124.3 Ų124.386%0.86172%0.715SS**  trans-63.287.4175.8-98.2-25.8000110.2G67 T71G67-N69 PolarHBondContact O-N 2.95Å; N69-T71 VanDerWaalsContact C-N 3.34Å; N69-T71 PolarHBondContact O-N 3.09Å
70I25.4Very low23.6Very low152 Ų152126.1 Ų126.178%0.77972%0.719SS**  trans-77.890.9168.7-51.5176.3000107.3D68 P72D68-I70 VanDerWaalsContact C-N 3.33Å; D68-I70 PolarHBondContact O-N 2.89Å; I70-P72 WeakPolarHBondContact O-CD 3.44Å
71T22.1Very low23.7Very low116 Ų116125.5 Ų125.571%0.71271%0.71SS**  trans-61.3114.81669.20000109N69 V73N69-T71 VanDerWaalsContact C-N 3.34Å; N69-T71 PolarHBondContact O-N 3.09Å; T71-V73 PolarHBondContact O-N 3.38Å; T71-V73 VanDerWaalsContact O-N 3.09Å
72P24.4Very low23.8Very low94 Ų94134.4 Ų134.461%0.6173%0.726SS**  trans-68113.417027-30.2000108I70 V74I70-P72 WeakPolarHBondContact O-CD 3.44Å; P72-V74 VanDerWaalsContact C-N 3.25Å; P72-V74 HydrophobicContact CB-CG2 4.39Å; P72-V74 PolarHBondContact O-N 3.47Å
73V22.5Very low23.6Very low124 Ų124138.2 Ų138.275%0.75273%0.732SS**  trans-68.688.1169.1179.80000107.4T71 R75T71-V73 PolarHBondContact O-N 3.38Å; T71-V73 VanDerWaalsContact O-N 3.09Å; V73-R75 HydrophobicContact CG1-CG 4.24Å; V73-R75 PolarHBondContact O-N 2.94Å
74V24.2Very low23.7Very low105 Ų105141.1 Ų141.164%0.63674%0.74SS**  trans-81100.8171.2-178.70000107.2P72 N76P72-V74 VanDerWaalsContact C-N 3.25Å; P72-V74 HydrophobicContact CB-CG2 4.39Å; P72-V74 PolarHBondContact O-N 3.47Å; V74-N76 PolarHBondContact O-N 2.71Å
75R21.8Very low23.6Very low221 Ų221140.5 Ų140.583%0.83474%0.741SS**  trans-70.8116.4172-68.1-174.6-175.41791.8108.6V73V73-R75 HydrophobicContact CG1-CG 4.24Å; V73-R75 PolarHBondContact O-N 2.94Å
76N22.2Very low23.5Very low106 Ų106141.8 Ų141.857%0.56775%0.747SS**  trans-67.8127.5173.1-166.519.8000109.4V74 D78V74-N76 PolarHBondContact O-N 2.71Å; N76-D78 PolarHBondContact O-N 2.87Å
77P24.2Very low23.6Very low118 Ų118141.2 Ų141.277%0.76675%0.749SS**SBendtrans-69.9-13.2175.9-16.430.4000114
78D22.5Very low23.6Very low138 Ų138147.5 Ų147.574%0.73876%0.756SS**  trans-120.854.6-166.4-68.2-38.4000114.3N76N76-D78 PolarHBondContact O-N 2.87Å
79S25Very low23.6Very low73 Ų73149 Ų14951%0.5177%0.773SS.*  trans-137.4110.4163670000111.9T81S79-T81 VanDerWaalsContact C-N 3.35Å; S79-T81 PolarHBondContact O-N 3.4Å; S79-T81 PolarHBondContact O-OG1 2.91Å; S79-T81 PolarHBondContact OG-OG1 3.26Å
80H24.1Very low23.6Very low204 Ų204147 Ų14794%0.94477%0.766SS**  trans-4591.1162.5-63-86.9000111.3
81T25.2Very low23.5Very low114 Ų114147.9 Ų147.970%0.69977%0.767SS**  trans-141.2105.6173.318.30000110.6S79S79-T81 VanDerWaalsContact C-N 3.35Å; S79-T81 PolarHBondContact O-N 3.4Å; S79-T81 PolarHBondContact O-OG1 2.91Å; S79-T81 PolarHBondContact OG-OG1 3.26Å
82R23.8Very low23.6Very low243 Ų243149.6 Ų149.692%0.91777%0.771SS**  trans-24.1121.9172-68.3171-177178.40.3114.8P84R82-P84 WeakPolarHBondContact O-CD 3.35Å
83Y21.7Very low23.6Very low231 Ų231149.9 Ų149.991%0.90677%0.767SS**PPolyproline II helixtrans-59.5128.1160.7-68.5-89.9000110.9
84P24Very low23.7Very low123 Ų123154 Ų15480%0.79978%0.775SS**PPolyproline II helixtrans-84.2134.4153.45.114.1000109.1R82R82-P84 WeakPolarHBondContact O-CD 3.35Å
85K22.5Very low23.8Very low185 Ų185155.5 Ų155.580%0.80478%0.78SS**PPolyproline II helixtrans-57144.6179.7-76.3173.3168.2-179.30113.4
86E23.4Very low24Very low178 Ų178149.1 Ų149.183%0.83278%0.775SS**  trans50.797.4138.8-61.3175.6-152.700118
87S25.3Very low24.2Very low123 Ų123149.5 Ų149.586%0.8678%0.781SS**  trans-148.3125.4139.460.70000110.8
88K23.7Very low24.1Very low206 Ų206154.6 Ų154.690%0.89678%0.784SS**  trans-65.9160.1-174.8-67.8166.1171.3173.50113.7
89S23.5Very low24.2Very low115 Ų115155 Ų15580%0.80479%0.786SS**  trans81.8120.5161.8-158.70000114.5
90T23.9Very low24.2Very low119 Ų119157.6 Ų157.673%0.7379%0.794SS**  cis-139.613738.839.80000112.3L92T90-L92 PolarHBondContact O-N 3.3Å
91H23.6Very low24.2Very low169 Ų169153.2 Ų153.278%0.78278%0.784SS**  trans-47116164-93.7-105.6000111.1D93H91-D93 IonicContact CE1-OD1 3.84Å; H91-D93 IonicContact CG-OD1 3.97Å; H91-D93 IonicContact ND1-OD1 2.95Å; H91-D93 PolarHBondContact ND1-OD1 2.93Å
92L23.7Very low24Very low153 Ų153156 Ų15680%0.80179%0.786SS**  trans-113.296.9148.1-96.4159.4000105T90 F94T90-L92 PolarHBondContact O-N 3.3Å; L92-F94 PolarHBondContact O-N 3.48Å; L92-F94 VanDerWaalsContact O-N 3.09Å
93D23.8Very low24Very low100 Ų100148 Ų14854%0.53578%0.779SS.*  trans-54.9111.9176.1-72.3-27.4000109.1H91 D95 A96H91-D93 IonicContact CE1-OD1 3.84Å; H91-D93 IonicContact CG-OD1 3.97Å; H91-D93 IonicContact ND1-OD1 2.95Å; H91-D93 PolarHBondContact ND1-OD1 2.93Å; D93-D95 HydrophobicContact CB-CB 4.39Å; D93-D95 PolarHBondContact O-N 2.84Å; D93-A96 PolarHBondContact O-N 3.4Å
94F25.8Very low24.1Very low210 Ų210142.8 Ų142.892%0.92177%0.771SS**THydrogen-bonded Turntrans-67.67.7166.2-91.5-90.8000112.5L92L92-F94 PolarHBondContact O-N 3.48Å; L92-F94 VanDerWaalsContact O-N 3.09Å
95D25.7Very low24.1Very low136 Ų136140 Ų14073%0.72775%0.754SS**THydrogen-bonded Turntrans-85.9-3.7173.6-73.3-35.6000113.9D93D93-D95 HydrophobicContact CB-CB 4.39Å; D93-D95 PolarHBondContact O-N 2.84Å
96A25.7Very low24.2Very low88 Ų88136.5 Ų136.573%0.72775%0.75SS**SBendtrans-904.1-176.300000116D93D93-A96 PolarHBondContact O-N 3.4Å
97V26.3Very low24.3Very low114 Ų114133 Ų13369%0.69174%0.737SS**  trans-115.853.3166.7-1690000109.2L99V97-L99 HydrophobicContact CG1-CD1 4Å; V97-L99 HydrophobicContact CG1-CD2 4.4Å; V97-L99 HydrophobicContact CG1-CG 3.64Å; V97-L99 PolarHBondContact O-N 3.39Å
98R23.9Very low24.3Very low225 Ų225134.7 Ų134.785%0.84973%0.726SS**  trans-63.983.4145-75.7-173.9171.6-165.7-1.4106.5N100R98-N100 VanDerWaalsContact C-N 3.28Å; R98-N100 PolarHBondContact O-N 3.3Å
99L24.6Very low24.3Very low146 Ų146131.4 Ų131.476%0.76472%0.716SS**  trans-57.3103.4162.1-80.9162.4000105.6V97 P101V97-L99 HydrophobicContact CG1-CD1 4Å; V97-L99 HydrophobicContact CG1-CD2 4.4Å; V97-L99 HydrophobicContact CG1-CG 3.64Å; V97-L99 PolarHBondContact O-N 3.39Å; L99-P101 VanDerWaalsContact O-CD 3.28Å; L99-P101 WeakPolarHBondContact O-CD 3.24Å; L99-P101 VanDerWaalsContact O-N 3.1Å
100N23.1Very low24.4Very low128 Ų128131.6 Ų131.668%0.68470%0.704SS**  trans-49.3115.4-177.1-1419.4000108R98 F102R98-N100 VanDerWaalsContact C-N 3.28Å; R98-N100 PolarHBondContact O-N 3.3Å; N100-F102 PolarHBondContact ND2-O 3.02Å; N100-F102 PolarHBondContact O-N 2.91Å
101P24.5Very low24.4Very low112 Ų112129.5 Ų129.573%0.72769%0.691SS**SBendtrans-68.1-0.5177.8-11.725.2000112.6L99L99-P101 VanDerWaalsContact O-CD 3.28Å; L99-P101 WeakPolarHBondContact O-CD 3.24Å; L99-P101 VanDerWaalsContact O-N 3.1Å
102F21.7Very low24.5Very low173 Ų173128.1 Ų128.176%0.75968%0.683SS**SBendtrans-140.295-171.2-63.1-81.3000109.1N100N100-F102 PolarHBondContact ND2-O 3.02Å; N100-F102 PolarHBondContact O-N 2.91Å
103G22.9Very low24.5Very low73 Ų73126.3 Ų126.375%0.75367%0.67SS**  trans-173.70.1177.200000115.9
104V25.1Very low24.6Very low123 Ų123128.1 Ų128.175%0.74568%0.68SS**SBendtrans-103124.3-179.8-165.70000108.8Y108V104-Y108 HydrophobicContact CG1-CD2 3.92Å; V104-Y108 HydrophobicContact CG1-CG 4.26Å
105S23.1Very low24.6Very low63 Ų63124.9 Ų124.944%0.44167%0.672SS.*  trans-36.5140.4179.2174.20000114.1N107 Y108S105-N107 PolarHBondContact O-N 2.88Å; S105-Y108 PolarHBondContact O-N 3.33Å
106P24.6Very low24.5Very low112 Ų112122.1 Ų122.173%0.72766%0.662SS**G310 helixtrans-54.7-19.1-177.7-22.832.1000115.1Y108P106-Y108 VanDerWaalsContact C-N 3.35Å; P106-Y108 PolarHBondContact O-N 3.05Å
107N25.2Very low24.3Very low105 Ų105121.9 Ų121.956%0.56167%0.668SS**G310 helixtrans-81.9-4.1-172-69.96.3000115.1S105 T111S105-N107 PolarHBondContact O-N 2.88Å; N107-T111 PolarHBondContact O-OG1 2.74Å
108Y24.8Very low24.1Very low158 Ų158121.6 Ų121.662%0.6267%0.67SS**G310 helixtrans-91.9-23.7-177.7-80.9-84.3000114.6V104 S105 P106V104-Y108 HydrophobicContact CG1-CD2 3.92Å; V104-Y108 HydrophobicContact CG1-CG 4.26Å; S105-Y108 PolarHBondContact O-N 3.33Å; P106-Y108 VanDerWaalsContact C-N 3.35Å; P106-Y108 PolarHBondContact O-N 3.05Å
109M25.4Very low24.1Very low138 Ų138113.8 Ų113.868%0.6866%0.659SS**Hα-helixtrans-73.5-35.7171.5-89.5-89.7158.100111T111 F112 E113M109-T111 VanDerWaalsContact C-N 3.29Å; M109-T111 PolarHBondContact O-N 2.71Å; M109-F112 PolarHBondContact O-N 3.04Å; M109-E113 WeakPolarHBondContact O-CG 3.29Å; M109-E113 PolarHBondContact O-N 3.3Å
110E23.9Very low24.1Very low118 Ų118115 Ų11555%0.55166%0.661SS**Hα-helixtrans-66.6-26.5179.3-134.2176.8-16600113.4N114E110-N114 WeakPolarHBondContact O-CB 3.44Å; E110-N114 PolarHBondContact O-N 3.09Å; E110-N114 PolarHBondContact O-ND2 3.43Å
111T25.4Very low24.1Very low75 Ų75116.3 Ų116.346%0.4667%0.668SS.*Hα-helixtrans-80.9-29.2176.70.40000112.3N107 M109 L115N107-T111 PolarHBondContact O-OG1 2.74Å; M109-T111 VanDerWaalsContact C-N 3.29Å; M109-T111 PolarHBondContact O-N 2.71Å; T111-L115 WeakPolarHBondContact O-CD1 3.28Å; T111-L115 WeakPolarHBondContact O-CG 3.01Å; T111-L115 PolarHBondContact O-N 3.19Å
112F25.6Very low24Very low141 Ų141117.5 Ų117.562%0.61867%0.673SS**Hα-helixtrans-79.2-37.3176.9-116.9-91000111.9M109 N114 L115 C116M109-F112 PolarHBondContact O-N 3.04Å; F112-N114 VanDerWaalsContact C-N 3.3Å; F112-N114 PolarHBondContact O-N 3.03Å; F112-L115 PolarHBondContact O-N 2.89Å; F112-C116 PolarHBondContact O-N 3.39Å
113E24.2Very low24Very low115 Ų115118.3 Ų118.354%0.53768%0.679SS.*Hα-helixtrans-69-25.8176.1-72.4-179.9160.100113M109M109-E113 WeakPolarHBondContact O-CG 3.29Å; M109-E113 PolarHBondContact O-N 3.3Å
114N25.4Very low24.1Very low138 Ų138119.9 Ų119.974%0.73868%0.679SS**THydrogen-bonded Turntrans-85.5-15.4174.3-79.8-46.2000114.3E110 F112E110-N114 WeakPolarHBondContact O-CB 3.44Å; E110-N114 PolarHBondContact O-N 3.09Å; E110-N114 PolarHBondContact O-ND2 3.43Å; F112-N114 VanDerWaalsContact C-N 3.3Å; F112-N114 PolarHBondContact O-N 3.03Å
115L25Very low24Very low142 Ų142122.8 Ų122.874%0.74368%0.684SS**THydrogen-bonded Turntrans-97.1-14.2177.5-80.4163.4000113T111 F112T111-L115 WeakPolarHBondContact O-CD1 3.28Å; T111-L115 WeakPolarHBondContact O-CG 3.01Å; T111-L115 PolarHBondContact O-N 3.19Å; F112-L115 PolarHBondContact O-N 2.89Å
116C23.5Very low24Very low77 Ų77125.2 Ų125.252%0.5269%0.691SS.*SBendtrans-128.194176.9-77.50000107.9F112 C118F112-C116 PolarHBondContact O-N 3.39Å; C116-C118 PolarHBondContact O-N 3.05Å
117G21.4Very low23.8Very low83 Ų83131 Ų13186%0.85670%0.698SS**  trans-65.951.5-170.800000116.9
118C23.6Very low23.8Very low109 Ų109132.1 Ų132.174%0.73670%0.703SS**  trans-146.592.7177.9-69.30000109.3C116C116-C118 PolarHBondContact O-N 3.05Å
119G22Very low23.6Very low60 Ų60129.9 Ų129.962%0.61971%0.708SS**  trans-75.8121.3172.600000111
120H25.5Very low23.5Very low172 Ų172134.5 Ų134.580%0.79672%0.718SS**  trans-152.2113.2169.5-82.4-73.5000113.7
121N23.1Very low23.5Very low156 Ų156133.6 Ų133.683%0.83473%0.725SS**  trans29.1103.5147.3-66.4-10.9000119.4Q123N121-Q123 PolarHBondContact O-N 3.47Å
122T22.2Very low23.3Very low137 Ų137136.8 Ų136.884%0.8474%0.739SS**  trans-64.2103.6161.240.10000111.7
123Q21.7Very low23.2Very low190 Ų190136.5 Ų136.589%0.88874%0.744SS**  trans-168.9118.3153.1-110167.539.500111.3N121N121-Q123 PolarHBondContact O-N 3.47Å
124S24.7Very low23.1Very low106 Ų106138 Ų13874%0.74175%0.754SS**  trans126.5105.8152.2680000115.6
125E22.8Very low23Very low184 Ų184140.2 Ų140.286%0.8676%0.758SS**  trans-63.5123.9162.6-69.7177.5135.600109.8
126I23.8Very low22.9Very low113 Ų113138.5 Ų138.558%0.57976%0.757SS**  trans-110.7108170.4-61.7174.7000108.6L128I126-L128 HydrophobicContact CG2-CG 4.22Å
127R20.8Very low22.9Very low235 Ų235143 Ų14389%0.88777%0.771SS**  trans-80.8114.4166.9-69.6-177.1177.6-178.20.2108.9
128L24.2Very low22.9Very low127 Ų127143.4 Ų143.467%0.66576%0.76SS**  trans-94.4139.1171.7-82.7154.9000111.3I126I126-L128 HydrophobicContact CG2-CG 4.22Å
129P22.3Very low23Very low112 Ų112144.1 Ų144.173%0.72776%0.763SS**  trans-74146.3-17329-32.6000112.8S131P129-S131 PolarHBondContact O-N 2.76Å
130R21.5Very low23.2Very low234 Ų234146.8 Ų146.888%0.88377%0.767SS**  trans-56.4113.3170.6-81.6178.7161.4131.8-4.6110.1
131S24.7Very low23.1Very low100 Ų100143.2 Ų143.270%0.69976%0.758SS**  trans-102.790.4167.463.10000110P129 N133P129-S131 PolarHBondContact O-N 2.76Å; S131-N133 PolarHBondContact O-N 2.96Å; S131-N133 VanDerWaalsContact O-N 3.16Å
132D22.2Very low23.3Very low142 Ų142139 Ų13976%0.75974%0.74SS**  trans-7518.8173.3-74.3-40.2000113.8
133N21.7Very low23.4Very low134 Ų134135.4 Ų135.472%0.71773%0.73SS**  trans-147.8151.4179.9-75.4-48.9000108.9S131S131-N133 PolarHBondContact O-N 2.96Å; S131-N133 VanDerWaalsContact O-N 3.16Å
134I23.6Very low23.6Very low147 Ų147132.6 Ų132.675%0.75472%0.721SS**  trans97.763.8172.9-40.2147.8000115.1
135F23.7Very low23.9Very low185 Ų185129.7 Ų129.781%0.81170%0.699SS**  trans-135.473.6147.8-84.7-78.4000109.5H137F135-H137 PolarHBondContact O-N 3.42Å
136S21.4Very low24.1Very low105 Ų105128.5 Ų128.573%0.73470%0.698SS**  trans-76.6101.3161.559.50000107.9S138S136-S138 VanDerWaalsContact C-N 3.29Å; S136-S138 PolarHBondContact O-N 3.12Å
137H24.7Very low24.4Very low173 Ų173131.6 Ų131.680%0.80171%0.708SS**  trans-69.880.5175.2-68.8-76.2000111F135F135-H137 PolarHBondContact O-N 3.42Å
138S21Very low24.9Very low91 Ų91122.1 Ų122.164%0.63668%0.68SS**  trans-91.7131163.4-69.30000109.5S136 V140S136-S138 VanDerWaalsContact C-N 3.29Å; S136-S138 PolarHBondContact O-N 3.12Å; S138-V140 PolarHBondContact O-N 2.91Å
139P25.2Very low25.1Very low123 Ų123122.9 Ų122.980%0.79968%0.68SS**  trans-66.7106.7178.426.3-30.3000109T141P139-T141 PolarHBondContact O-N 3.37Å; P139-T141 VanDerWaalsContact O-N 3.07Å
140V25.5Very low25.6Very low116 Ų116122.9 Ų122.970%0.70367%0.669SS**  trans-68.6105.5174.3179.50000108.2S138 V145S138-V140 PolarHBondContact O-N 2.91Å; V140-V145 HydrophobicContact CG1-CG2 3.72Å
141T23.9Very low25.9Very low97 Ų97116.9 Ų116.960%0.59566%0.658SS**  trans-64.2138.8170.235.70000109.9P139 G143P139-T141 PolarHBondContact O-N 3.37Å; P139-T141 VanDerWaalsContact O-N 3.07Å; T141-G143 PolarHBondContact O-N 3.16Å
142C27.4Very low26.3Very low69 Ų69116 Ų11647%0.46665%0.646SS.*THydrogen-bonded Turntrans-637-172.6-122.50000115.9P166C142-P166 HydrophobicContact CB-CG 4.38Å
143G24.2Very low26.8Very low61 Ų61116.2 Ų116.263%0.62964%0.642SS**THydrogen-bonded Turntrans-96.7-20.8-175.600000115.9T141T141-G143 PolarHBondContact O-N 3.16Å
144D26.2Very low27.3Very low131 Ų131113.8 Ų113.870%0.70163%0.632SS**SBendtrans-113.55-164-70.2-46.6000115.4N146D144-N146 PolarHBondContact O-N 3.32Å
145V30.2Very low27.6Very low44 Ų44113.4 Ų113.427%0.26763%0.632SS.*G310 helixtrans-84.38.1-170.3-151.30000113.8V140 K147 A148V140-V145 HydrophobicContact CG1-CG2 3.72Å; V145-K147 PolarHBondContact O-N 3Å; V145-A148 HydrophobicContact CG1-CB 4.08Å
146N28Very low27.9Very low160 Ų160110.4 Ų110.486%0.85662%0.62SS**G310 helixtrans-69.16.1172.1-83.1-23.2000113.9D144D144-N146 PolarHBondContact O-N 3.32Å
147K29.8Very low28.1Very low177 Ų177110.8 Ų110.877%0.7761%0.613SS**G310 helixtrans-145.329.3179.3-63.7-173.1179.7176.60115V145 Q149V145-K147 PolarHBondContact O-N 3Å; K147-Q149 VanDerWaalsContact C-N 3.26Å; K147-Q149 PolarHBondContact O-N 3.21Å
148A30.6Very low28.3Very low37 Ų37105.8 Ų105.831%0.30660%0.595SS.*  trans-74.487.5166.800000109.1V145 F150V145-A148 HydrophobicContact CG1-CB 4.08Å; A148-F150 HydrophobicContact CB-CE2 3.71Å; A148-F150 HydrophobicContact CB-CZ 4.19Å
149Q29.9Very low28.6Very low142 Ų142105.9 Ų105.966%0.66460%0.595SS**EExtended strand (participates in β ladder)trans-84.6116.6175.2-68.6-177.8-6.100108.5K147 L157K147-Q149 VanDerWaalsContact C-N 3.26Å; K147-Q149 PolarHBondContact O-N 3.21Å; Q149-L157 HydrophobicContact CB-CD2 3.84Å; Q149-L157 VanDerWaalsContact CD-CD2 3.49Å; Q149-L157 HydrophobicContact CG-CD2 3.62Å
150F32.6Very low28.9Very low113 Ų113104.4 Ų104.450%0.49658%0.58SS.*EExtended strand (participates in β ladder)trans-104.6123.8169.5-59.4-88.6000108.1A148 V158 I160A148-F150 HydrophobicContact CB-CE2 3.71Å; A148-F150 HydrophobicContact CB-CZ 4.19Å; F150-V158 HydrophobicContact CB-CB 4.48Å; F150-V158 PolarHBondContact O-N 3.4Å; F150-I160 HydrophobicContact CD2-CD1 3.74Å; F150-I160 HydrophobicContact CD2-CG1 4.12Å; F150-I160 HydrophobicContact CE2-CD1 3.46Å; F150-I160 VanDerWaalsContact CE2-CD1 3.46Å; F150-I160 HydrophobicContact CE2-CG1 4.14Å; F150-I160 HydrophobicContact CZ-CD1 4.35Å
151T27.4Very low29Very low107 Ų107109.1 Ų109.166%0.65659%0.585SS**EExtended strand (participates in β ladder)trans-86.1115170.144.10000108.8
152N32.4Very low29.5Very low82 Ų82110.6 Ų110.644%0.43958%0.583SS.*  trans-69.4164.9165.3-166.8-8.5000109.7T154 N155 Q156N152-T154 PolarHBondContact O-N 3.24Å; N152-N155 WeakPolarHBondContact O-CA 3.37Å; N152-N155 PolarHBondContact O-N 2.83Å; N152-Q156 HydrophobicContact CB-CB 4.49Å; N152-Q156 PolarHBondContact N-O 2.95Å; N152-Q156 VanDerWaalsContact N-O 3.15Å
153Q32.8Very low29.6Very low146 Ų146114.2 Ų114.268%0.68260%0.598SS**THydrogen-bonded Turntrans-54.4-17.9173.4-65-177.2-0.300113.3N155Q153-N155 VanDerWaalsContact C-N 3.34Å
154T31.9Very low30Very low83 Ų83115.8 Ų115.851%0.50959%0.592SS.*THydrogen-bonded Turntrans-87.89.1174.150.90000114.2N152 Q156N152-T154 PolarHBondContact O-N 3.24Å; T154-Q156 PolarHBondContact O-N 3.06Å; T154-Q156 WeakPolarHBondContact OG1-CB 3.28Å; T154-Q156 VanDerWaalsContact OG1-CG 3.32Å; T154-Q156 WeakPolarHBondContact OG1-CG 3.21Å; T154-Q156 PolarHBondContact OG1-OE1 3.29Å
155N31.7Very low30.1Very low140 Ų140113.2 Ų113.275%0.74958%0.584SS**  trans52.820.7-168.1-77.7-24.2000113.6N152 Q153 L157N152-N155 WeakPolarHBondContact O-CA 3.37Å; N152-N155 PolarHBondContact O-N 2.83Å; Q153-N155 VanDerWaalsContact C-N 3.34Å; N155-L157 PolarHBondContact O-N 3.17Å
156Q28.4Very low30.2Very low121 Ų121115 Ų11557%0.56560%0.596SS**  trans-78.7125.2175-72.1176.8-5.800109.4N152 T154 V158N152-Q156 HydrophobicContact CB-CB 4.49Å; N152-Q156 PolarHBondContact N-O 2.95Å; N152-Q156 VanDerWaalsContact N-O 3.15Å; T154-Q156 PolarHBondContact O-N 3.06Å; T154-Q156 WeakPolarHBondContact OG1-CB 3.28Å; T154-Q156 VanDerWaalsContact OG1-CG 3.32Å; T154-Q156 WeakPolarHBondContact OG1-CG 3.21Å; T154-Q156 PolarHBondContact OG1-OE1 3.29Å; Q156-V158 PolarHBondContact O-N 2.92Å
157L27.1Very low30.2Very low113 Ų113111.9 Ų111.959%0.59258%0.579SS**EExtended strand (participates in β ladder)trans-68.9103.9170.9-87.7144.1000109.2Q149 N155 S159Q149-L157 HydrophobicContact CB-CD2 3.84Å; Q149-L157 VanDerWaalsContact CD-CD2 3.49Å; Q149-L157 HydrophobicContact CG-CD2 3.62Å; N155-L157 PolarHBondContact O-N 3.17Å; L157-S159 PolarHBondContact O-N 2.85Å
158V28.5Very low30Very low69 Ų69107.8 Ų107.842%0.41857%0.57SS.*EExtended strand (participates in β ladder)trans-84.7103.4169.6-176.60000107.8F150 Q156 I160F150-V158 HydrophobicContact CB-CB 4.48Å; F150-V158 PolarHBondContact O-N 3.4Å; Q156-V158 PolarHBondContact O-N 2.92Å; V158-I160 HydrophobicContact CG1-CG1 4.43Å; V158-I160 PolarHBondContact O-N 2.92Å
159S26.5Very low30Very low92 Ų92109.6 Ų109.664%0.64358%0.58SS**EExtended strand (participates in β ladder)trans-83.2104.8172.5-177.90000109.3L157 R161L157-S159 PolarHBondContact O-N 2.85Å; S159-R161 VanDerWaalsContact C-N 3.28Å; S159-R161 PolarHBondContact O-N 3.26Å
160I31.5Very low29.9Very low92 Ų92110 Ų11047%0.47259%0.586SS.*  trans-78.685.1169.3-53.3-176.2000107.3F150 V158 K162F150-I160 HydrophobicContact CD2-CD1 3.74Å; F150-I160 HydrophobicContact CD2-CG1 4.12Å; F150-I160 HydrophobicContact CE2-CD1 3.46Å; F150-I160 VanDerWaalsContact CE2-CD1 3.46Å; F150-I160 HydrophobicContact CE2-CG1 4.14Å; F150-I160 HydrophobicContact CZ-CD1 4.35Å; V158-I160 HydrophobicContact CG1-CG1 4.43Å; V158-I160 PolarHBondContact O-N 2.92Å; I160-K162 VanDerWaalsContact C-N 3.35Å; I160-K162 PolarHBondContact O-N 3.25Å
161R27.9Very low29.6Very low215 Ų215111.5 Ų111.581%0.81160%0.595SS**  trans-66.496.7164.9-78.7-171.8179.6-175.90.8108S159 N163S159-R161 VanDerWaalsContact C-N 3.28Å; S159-R161 PolarHBondContact O-N 3.26Å; R161-N163 PolarHBondContact O-N 3.17Å
162K33.5Very low29.7Very low129 Ų129112.6 Ų112.656%0.56159%0.588SS**  trans-69.999.8164.3-97.5-174.9174.6179.90108I160 N164I160-K162 VanDerWaalsContact C-N 3.35Å; I160-K162 PolarHBondContact O-N 3.25Å; K162-N164 PolarHBondContact O-N 3.32Å
163N31.3Very low29.4Very low144 Ų144113 Ų11377%0.7760%0.596SS**  trans-64.917.2156.8-77.30.1000112.5R161R161-N163 PolarHBondContact O-N 3.17Å
164N32.1Very low29.1Very low94 Ų94111 Ų11150%0.50360%0.604SS.*  trans-129.848.9-166.9-72.6-19.2000110.8K162K162-N164 PolarHBondContact O-N 3.32Å
165C27.5Very low28.8Very low78 Ų78113.1 Ų113.153%0.52761%0.612SS.*SBendtrans-67.9147.4148.8-860000108L167C165-L167 PolarHBondContact O-N 3.16Å
166P32.6Very low28.6Very low81 Ų81109.9 Ų109.953%0.52659%0.594SS.*  trans-67.3104.6-173.4-0.617.5000107.5C142C142-P166 HydrophobicContact CB-CG 4.38Å
167L27.8Very low28.6Very low94 Ų94110.1 Ų110.149%0.49260%0.603SS.*  trans-59.8143.3162-79156.2000107.3C165 C169C165-L167 PolarHBondContact O-N 3.16Å; L167-C169 PolarHBondContact O-N 2.81Å
168P26.9Very low28.8Very low91 Ų91107.7 Ų107.759%0.59159%0.59SS**  trans-46.6141.5173.518.9-30.3000110.1D170 E171P168-D170 PolarHBondContact O-N 2.88Å; P168-E171 PolarHBondContact O-N 2.9Å
169C28.9Very low28.9Very low75 Ų75110.6 Ų110.651%0.50760%0.603SS.*THydrogen-bonded Turntrans-55.75.5-166.9-86.90000115.9L167 C208L167-C169 PolarHBondContact O-N 2.81Å; C169-C208 WeakPolarHBondContact CB-SG 3.49Å; C169-C208 WeakPolarHBondContact SG-CB 3.33Å; C169-C208 CovalentContact SG-SG 2.1Å; C169-C208 PolarHBondContact SG-SG 2.92Å
170D27.8Very low29Very low151 Ų151108.1 Ų108.181%0.80759%0.592SS**THydrogen-bonded Turntrans-103-9.3-170.8-62-39.2000114.8P168P168-D170 PolarHBondContact O-N 2.88Å
171E27.9Very low28.8Very low144 Ų144106.1 Ų106.167%0.67359%0.594SS**  trans-134.735.4-174.4-74-172.9159.500115P168 P173P168-E171 PolarHBondContact O-N 2.9Å; E171-P173 WeakPolarHBondContact O-CD 3.49Å
172Y28.1Very low28.9Very low130 Ų13099.4 Ų99.451%0.5159%0.585SS.*  trans-73.6110.9170.8-89.7-82.7000110.6A174Y172-A174 PolarHBondContact O-N 3.18Å
173P25.9Very low29.2Very low92 Ų9296 Ų9660%0.59757%0.568SS**  trans-61.1129.9168.426.3-32.9000108.3E171 N175E171-P173 WeakPolarHBondContact O-CD 3.49Å; P173-N175 PolarHBondContact O-N 2.87Å
174A26.6Very low29.3Very low103 Ų10395.9 Ų95.985%0.85157%0.568SS**SBendtrans-59.7-9.2-177.600000114.1Y172Y172-A174 PolarHBondContact O-N 3.18Å
175N25.9Very low29.4Very low127 Ų12795 Ų9568%0.67958%0.58SS**  trans-118.386.4-176.9-73-18000111.1P173 V177P173-N175 PolarHBondContact O-N 2.87Å; N175-V177 VanDerWaalsContact C-N 3.34Å; N175-V177 PolarHBondContact O-N 3.41Å; N175-V177 VanDerWaalsContact O-N 3.17Å
176I28.5Very low29.7Very low73 Ų7395 Ų9537%0.37458%0.575SS.*  trans-76.198.9154.1-60.8174.5000105.3I178I176-I178 HydrophobicContact CG2-CG1 3.83Å; I176-I178 PolarHBondContact O-N 2.92Å
177V27.8Very low29.9Very low125 Ų12594.6 Ų94.676%0.75857%0.572SS**  trans-62.895.9161.7179.60000105.8N175 D179N175-V177 VanDerWaalsContact C-N 3.34Å; N175-V177 PolarHBondContact O-N 3.41Å; N175-V177 VanDerWaalsContact O-N 3.17Å; V177-D179 PolarHBondContact O-N 2.87Å
178I31.8Very low30.6Very low63 Ų6394.5 Ų94.532%0.32357%0.572SS.*  trans-74.4107.7167.1-59.9177.4000104.2L38 I176 G180 W183L38-I178 HydrophobicContact CD1-CD1 4.18Å; I176-I178 HydrophobicContact CG2-CG1 3.83Å; I176-I178 PolarHBondContact O-N 2.92Å; I178-G180 PolarHBondContact O-N 2.88Å; I178-W183 HydrophobicContact CG2-CZ2 4.37Å
179D30.2Very low31.1Very low130 Ų130100 Ų10070%0.69558%0.581SS**  trans-57.2103.9175.9-158.4-5.9000108.3V177 G181 A182V177-D179 PolarHBondContact O-N 2.87Å; D179-G181 PolarHBondContact O-N 3Å; D179-A182 PolarHBondContact O-N 3.01Å
180G28.2Very low31.6Very low39 Ų39100 Ų10040%0.40258%0.576SS.*G310 helixtrans-61.1-14-171.500000113I178 A182I178-G180 PolarHBondContact O-N 2.88Å; G180-A182 VanDerWaalsContact C-N 3.31Å; G180-A182 PolarHBondContact O-N 3.13Å
181G27Very low32.2Very low50 Ų5093.6 Ų93.652%0.51554%0.544SS..G310 helixtrans-67.9-23.2177.200000114.8D179 W183D179-G181 PolarHBondContact O-N 3Å; G181-W183 VanDerWaalsContact C-N 3.26Å; G181-W183 PolarHBondContact O-N 2.87Å
182A31.6Very low32.9Very low75 Ų7588.9 Ų88.962%0.6252%0.523SS*.G310 helixtrans-75.5-12.7-176.600000114.1D179 G180D179-A182 PolarHBondContact O-N 3.01Å; G180-A182 VanDerWaalsContact C-N 3.31Å; G180-A182 PolarHBondContact O-N 3.13Å
183W39.2Very low33.5Very low57 Ų5784.2 Ų84.222%0.21651%0.514CS..G310 helixtrans-96-19.4-174.7-61.287.2000113.2I178 G181 G185 L186 A191 A194 A195 I198I178-W183 HydrophobicContact CG2-CZ2 4.37Å; G181-W183 VanDerWaalsContact C-N 3.26Å; G181-W183 PolarHBondContact O-N 2.87Å; W183-G185 PolarHBondContact O-N 3.03Å; W183-G185 VanDerWaalsContact O-N 3.16Å; W183-L186 HydrophobicContact CE3-CD1 4.32Å; W183-L186 PolarHBondContact O-N 2.85Å; W183-L186 VanDerWaalsContact O-N 3.12Å; W183-A191 HydrophobicContact CE3-CB 3.71Å; W183-A191 HydrophobicContact CZ3-CB 4.08Å; W183-A191 VanDerWaalsContact CZ3-O 3.24Å; W183-A191 WeakPolarHBondContact CZ3-O 3.29Å; W183-A194 HydrophobicContact CH2-CB 3.84Å; W183-A194 HydrophobicContact CZ3-CB 3.73Å; W183-A195 HydrophobicContact CH2-CB 4.5Å; W183-I198 HydrophobicContact CH2-CD1 3.98Å; W183-I198 HydrophobicContact CZ2-CD1 4.09Å
184N33.5Very low34.2Very low142 Ų14281.5 Ų81.576%0.75950%0.499SS*.THydrogen-bonded Turntrans-69-14.9-173.1-65-12.8000113.5
185G34.6Very low34.9Very low74 Ų7477.6 Ų77.676%0.76347%0.467SS*.THydrogen-bonded Turntrans-99.6-2.2175.600000114.9W183W183-G185 PolarHBondContact O-N 3.03Å; W183-G185 VanDerWaalsContact O-N 3.16Å
186L34.2Very low35.6Very low78 Ų7876.3 Ų76.341%0.40846%0.46SS..SBendtrans-97.6133.5-178.5-72.7168.6000110.3W183 L188 D190 A191W183-L186 HydrophobicContact CE3-CD1 4.32Å; W183-L186 PolarHBondContact O-N 2.85Å; W183-L186 VanDerWaalsContact O-N 3.12Å; L186-L188 PolarHBondContact O-N 3.45Å; L186-D190 HydrophobicContact CB-CB 4.36Å; L186-D190 HydrophobicContact CD2-CB 4.1Å; L186-A191 HydrophobicContact CB-CB 4.48Å
187P36.3Very low36.1Very low74 Ų7477.2 Ų77.248%0.48147%0.469SS..  trans-50.7140164.4-22.831.8000109.7R189 D190 A191P187-R189 PolarHBondContact O-N 2.82Å; P187-D190 WeakPolarHBondContact CD-OD2 3.49Å; P187-D190 WeakPolarHBondContact CG-OD2 3.31Å; P187-D190 WeakPolarHBondContact O-CA 3.07Å; P187-D190 WeakPolarHBondContact O-CB 2.97Å; P187-D190 PolarHBondContact O-N 3.42Å; P187-A191 PolarHBondContact O-N 3.46Å
188L42Very low36.6Very low92 Ų9274.5 Ų74.548%0.48245%0.449SS..Hα-helixtrans-48-36.3-178.2-178.469.4000113A45 L49 L186 D190 A191 I192A45-L188 HydrophobicContact CB-CD1 3.77Å; A45-L188 HydrophobicContact CB-CD2 3.93Å; A45-L188 HydrophobicContact CB-CG 4.4Å; L49-L188 HydrophobicContact CD1-CD2 4.24Å; L186-L188 PolarHBondContact O-N 3.45Å; L188-D190 VanDerWaalsContact C-N 3.34Å; L188-D190 PolarHBondContact O-N 2.81Å; L188-A191 PolarHBondContact O-N 2.89Å; L188-I192 HydrophobicContact CD1-CD1 4.31Å; L188-I192 HydrophobicContact CD2-CD1 4.48Å; L188-I192 HydrophobicContact CG-CD1 3.9Å; L188-I192 WeakPolarHBondContact O-CB 3.38Å; L188-I192 WeakPolarHBondContact O-CG1 3.17Å; L188-I192 PolarHBondContact O-N 2.84Å
189R37.1Very low37Very low207 Ų20776.9 Ų76.978%0.78146%0.462SS*.Hα-helixtrans-59.6-41.7175.2-175.2175.4-176.9-113.33.9112.8P187 G193P187-R189 PolarHBondContact O-N 2.82Å; R189-G193 PolarHBondContact O-N 2.89Å
190D39.3Very low37Very low73 Ų7373.9 Ų73.939%0.3945%0.448SS..Hα-helixtrans-78.7-33.1-178.7-61.3-18000110.8L186 P187 L188 G193 A194L186-D190 HydrophobicContact CB-CB 4.36Å; L186-D190 HydrophobicContact CD2-CB 4.1Å; P187-D190 WeakPolarHBondContact CD-OD2 3.49Å; P187-D190 WeakPolarHBondContact CG-OD2 3.31Å; P187-D190 WeakPolarHBondContact O-CA 3.07Å; P187-D190 WeakPolarHBondContact O-CB 2.97Å; P187-D190 PolarHBondContact O-N 3.42Å; L188-D190 VanDerWaalsContact C-N 3.34Å; L188-D190 PolarHBondContact O-N 2.81Å; D190-G193 PolarHBondContact O-N 3.21Å; D190-A194 WeakPolarHBondContact O-CB 3.22Å; D190-A194 PolarHBondContact O-N 2.98Å
191A40.5Very low37.1Very low18 Ų1874.8 Ų74.815%0.14945%0.448CS..Hα-helixtrans-63.2-46.5170.200000111.7W183 L186 P187 L188 G193 A194 A195W183-A191 HydrophobicContact CE3-CB 3.71Å; W183-A191 HydrophobicContact CZ3-CB 4.08Å; W183-A191 VanDerWaalsContact CZ3-O 3.24Å; W183-A191 WeakPolarHBondContact CZ3-O 3.29Å; L186-A191 HydrophobicContact CB-CB 4.48Å; P187-A191 PolarHBondContact O-N 3.46Å; L188-A191 PolarHBondContact O-N 2.89Å; A191-G193 VanDerWaalsContact C-N 3.33Å; A191-G193 PolarHBondContact O-N 3.33Å; A191-A194 PolarHBondContact O-N 3.42Å; A191-A195 WeakPolarHBondContact O-CB 3.21Å; A191-A195 PolarHBondContact O-N 2.71Å
192I43.8Very low37.3Very low45 Ų4578.2 Ų78.223%0.23145%0.449CS..Hα-helixtrans-62.3-43.6174.7-68.9166.4000110.3L49 L188 A195 L196L49-I192 HydrophobicContact CD1-CD1 4.22Å; L188-I192 HydrophobicContact CD1-CD1 4.31Å; L188-I192 HydrophobicContact CD2-CD1 4.48Å; L188-I192 HydrophobicContact CG-CD1 3.9Å; L188-I192 WeakPolarHBondContact O-CB 3.38Å; L188-I192 WeakPolarHBondContact O-CG1 3.17Å; L188-I192 PolarHBondContact O-N 2.84Å; I192-A195 PolarHBondContact O-N 3.37Å; I192-L196 HydrophobicContact CG2-CD1 3.75Å; I192-L196 WeakPolarHBondContact O-CB 3.49Å; I192-L196 PolarHBondContact O-N 2.73Å
193G39.6Very low37.2Very low31 Ų3178.6 Ų78.632%0.3245%0.447SS..Hα-helixtrans-58.7-48.7176.500000112.7R189 D190 A191 L196 V197R189-G193 PolarHBondContact O-N 2.89Å; D190-G193 PolarHBondContact O-N 3.21Å; A191-G193 VanDerWaalsContact C-N 3.33Å; A191-G193 PolarHBondContact O-N 3.33Å; G193-L196 PolarHBondContact O-N 3.24Å; G193-V197 WeakPolarHBondContact O-CG2 3.04Å; G193-V197 PolarHBondContact O-N 3.18Å
194A40.1Very low36.7Very low35 Ų3584.7 Ų84.729%0.28948%0.475SS..Hα-helixtrans-65.5-39.8177.900000112.2W183 D190 A191 L196 V197 I198W183-A194 HydrophobicContact CH2-CB 3.84Å; W183-A194 HydrophobicContact CZ3-CB 3.73Å; D190-A194 WeakPolarHBondContact O-CB 3.22Å; D190-A194 PolarHBondContact O-N 2.98Å; A191-A194 PolarHBondContact O-N 3.42Å; A194-L196 PolarHBondContact O-N 3Å; A194-V197 PolarHBondContact O-N 3.42Å; A194-I198 WeakPolarHBondContact O-CD1 3.48Å; A194-I198 VanDerWaalsContact O-CG1 3.23Å; A194-I198 WeakPolarHBondContact O-CG1 3.27Å; A194-I198 PolarHBondContact O-N 3.37Å
195A42.2Very low36.4Very low21 Ų2182 Ų8217%0.17447%0.473CS..Hα-helixtrans-60.7-43.4173.600000112W183 A191 I192 I198 L199W183-A195 HydrophobicContact CH2-CB 4.5Å; A191-A195 WeakPolarHBondContact O-CB 3.21Å; A191-A195 PolarHBondContact O-N 2.71Å; I192-A195 PolarHBondContact O-N 3.37Å; A195-I198 PolarHBondContact O-N 3.43Å; A195-L199 WeakPolarHBondContact O-CB 3.24Å; A195-L199 VanDerWaalsContact O-CG 3.29Å; A195-L199 WeakPolarHBondContact O-CG 3.36Å; A195-L199 PolarHBondContact O-N 2.93Å
196L40.7Very low36.1Very low100 Ų10080.8 Ų80.852%0.52445%0.452SS..Hα-helixtrans-64-40.4174.3-100.5131.1000112.4I192 G193 A194 L199 T200I192-L196 HydrophobicContact CG2-CD1 3.75Å; I192-L196 WeakPolarHBondContact O-CB 3.49Å; I192-L196 PolarHBondContact O-N 2.73Å; G193-L196 PolarHBondContact O-N 3.24Å; A194-L196 PolarHBondContact O-N 3Å; L196-L199 PolarHBondContact O-N 3.32Å; L196-T200 WeakPolarHBondContact O-CB 3.19Å; L196-T200 VanDerWaalsContact O-CG2 3.27Å; L196-T200 WeakPolarHBondContact O-CG2 2.97Å; L196-T200 PolarHBondContact O-N 3.07Å; L196-T200 PolarHBondContact O-OG1 2.93Å
197V37.9Very low35.7Very low93 Ų9381 Ų8156%0.56447%0.474SS*.Hα-helixtrans-65.4-39.2175.4172.10000111G193 A194 T200 S201G193-V197 WeakPolarHBondContact O-CG2 3.04Å; G193-V197 PolarHBondContact O-N 3.18Å; A194-V197 PolarHBondContact O-N 3.42Å; V197-T200 WeakPolarHBondContact CA-OG1 3.02Å; V197-T200 PolarHBondContact O-OG1 3.21Å; V197-S201 WeakPolarHBondContact O-CB 3.42Å; V197-S201 PolarHBondContact O-N 3.3Å; V197-S201 PolarHBondContact O-OG 3.45Å
198I39.8Very low35.3Very low67 Ų6780.5 Ų80.534%0.34447%0.471SS..Hα-helixtrans-65.9-43.9175.5-67.8164.1000110.8W183 A194 A195 S201 K202W183-I198 HydrophobicContact CH2-CD1 3.98Å; W183-I198 HydrophobicContact CZ2-CD1 4.09Å; A194-I198 WeakPolarHBondContact O-CD1 3.48Å; A194-I198 VanDerWaalsContact O-CG1 3.23Å; A194-I198 WeakPolarHBondContact O-CG1 3.27Å; A194-I198 PolarHBondContact O-N 3.37Å; A195-I198 PolarHBondContact O-N 3.43Å; I198-S201 WeakPolarHBondContact CA-OG 3.5Å; I198-S201 PolarHBondContact O-OG 2.93Å; I198-K202 WeakPolarHBondContact O-CG 3.12Å; I198-K202 PolarHBondContact O-N 2.91Å
199L38.4Very low34.6Very low114 Ų11487 Ų8760%0.59749%0.489SS*.Hα-helixtrans-68.4-36.8178.8-72.3166.9000112.7A195 L196 S203A195-L199 WeakPolarHBondContact O-CB 3.24Å; A195-L199 VanDerWaalsContact O-CG 3.29Å; A195-L199 WeakPolarHBondContact O-CG 3.36Å; A195-L199 PolarHBondContact O-N 2.93Å; L196-L199 PolarHBondContact O-N 3.32Å; L199-S203 PolarHBondContact O-N 2.65Å
200T31.9Very low34.2Very low67 Ų6787.1 Ų87.141%0.41149%0.49SS..Hα-helixtrans-81.8-26.7178.2550000113.3L196 V197 S203 K204L196-T200 WeakPolarHBondContact O-CB 3.19Å; L196-T200 VanDerWaalsContact O-CG2 3.27Å; L196-T200 WeakPolarHBondContact O-CG2 2.97Å; L196-T200 PolarHBondContact O-N 3.07Å; L196-T200 PolarHBondContact O-OG1 2.93Å; V197-T200 WeakPolarHBondContact CA-OG1 3.02Å; V197-T200 PolarHBondContact O-OG1 3.21Å; T200-S203 PolarHBondContact O-N 3.03Å; T200-S203 PolarHBondContact O-OG 3.21Å; T200-K204 PolarHBondContact O-N 3.32Å; T200-K204 VanDerWaalsContact O-N 3.13Å
201S29Very low33.4Very low57 Ų5792.2 Ų92.240%0.39951%0.514SS..Hα-helixtrans-72.4-33.4169.355.40000111.5V197 I198 S203 K204 A205V197-S201 WeakPolarHBondContact O-CB 3.42Å; V197-S201 PolarHBondContact O-N 3.3Å; V197-S201 PolarHBondContact O-OG 3.45Å; I198-S201 WeakPolarHBondContact CA-OG 3.5Å; I198-S201 PolarHBondContact O-OG 2.93Å; S201-S203 PolarHBondContact O-N 3.49Å; S201-K204 PolarHBondContact O-N 3.29Å; S201-A205 WeakPolarHBondContact O-CB 3.36Å; S201-A205 PolarHBondContact O-N 2.83Å
202K31.9Very low32.8Very low122 Ų12298.1 Ų98.153%0.5354%0.541SS..Hα-helixtrans-58.5-34.5167.3-78.8-178.8178.3-175.60112.6I198 S206I198-K202 WeakPolarHBondContact O-CG 3.12Å; I198-K202 PolarHBondContact O-N 2.91Å; K202-S206 PolarHBondContact O-OG 3.34Å
203S28.6Very low31.9Very low83 Ų83100.1 Ų100.158%0.5856%0.559SS**Hα-helixtrans-85.3-19.1-179.775.50000115L199 T200 S201L199-S203 PolarHBondContact O-N 2.65Å; T200-S203 PolarHBondContact O-N 3.03Å; T200-S203 PolarHBondContact O-OG 3.21Å; S201-S203 PolarHBondContact O-N 3.49Å
204K28.6Very low31.1Very low186 Ų186110.8 Ų110.881%0.80959%0.59SS**Hα-helixtrans-104.4-27.9179.2-73.1-176.7177179.80114.6T200 S201T200-K204 PolarHBondContact O-N 3.32Å; T200-K204 VanDerWaalsContact O-N 3.13Å; S201-K204 PolarHBondContact O-N 3.29Å
205A28Very low30.4Very low85 Ų85112.7 Ų112.770%0.70260%0.601SS**Hα-helixtrans-85.7-14.3179.500000113.1S201S201-A205 WeakPolarHBondContact O-CB 3.36Å; S201-A205 PolarHBondContact O-N 2.83Å
206S28.7Very low29.6Very low48 Ų48116.8 Ų116.834%0.33663%0.628SS.*  trans-106.596.5173.771.60000109.4K202 C208K202-S206 PolarHBondContact O-OG 3.34Å; S206-C208 PolarHBondContact O-N 3.38Å
207G25.5Very low29.1Very low84 Ų84118.2 Ų118.287%0.86663%0.632SS**  trans-54.7-9154.600000112.3R209G207-R209 PolarHBondContact O-N 3.11Å
208C27.1Very low28.6Very low62 Ų62125.1 Ų125.142%0.41965%0.648SS.*  trans-67.277.7165.4-56.50000109.4C169 S206 R210C169-C208 WeakPolarHBondContact CB-SG 3.49Å; C169-C208 WeakPolarHBondContact SG-CB 3.33Å; C169-C208 CovalentContact SG-SG 2.1Å; C169-C208 PolarHBondContact SG-SG 2.92Å; S206-C208 PolarHBondContact O-N 3.38Å; C208-R210 PolarHBondContact O-N 3.39Å
209R27.1Very low28Very low229 Ų229129.4 Ų129.486%0.86467%0.672SS**  trans-42.3118.7151.6-109.2-176.8-178.2-170.21.6105.2G207 M211G207-R209 PolarHBondContact O-N 3.11Å; R209-M211 PolarHBondContact O-N 3.16Å
210R28.7Very low27.7Very low209 Ų209130.8 Ų130.879%0.78967%0.673SS**  trans-54.198160.9-86.6-178.8174.4166.3-3.9106C208 I212C208-R210 PolarHBondContact O-N 3.39Å; R210-I212 HydrophobicContact CB-CG1 4.33Å; R210-I212 PolarHBondContact O-N 2.97Å
211M24.3Very low27.5Very low181 Ų181137.6 Ų137.689%0.89270%0.697SS**  trans-6684.8156.9-82.7-160.9-85.400104.4R209 S213R209-M211 PolarHBondContact O-N 3.16Å; M211-S213 VanDerWaalsContact C-N 3.28Å; M211-S213 PolarHBondContact O-N 2.95Å
212I26.5Very low27.6Very low141 Ų141144.9 Ų144.972%0.72372%0.716SS**  trans-58.5108.3158-57.7174.3000103.2R210 R214R210-I212 HydrophobicContact CB-CG1 4.33Å; R210-I212 PolarHBondContact O-N 2.97Å; I212-R214 PolarHBondContact O-N 3.42Å
213S24.5Very low27.5Very low87 Ų87144.4 Ų144.461%0.60872%0.719SS**  trans-42.3118.3179.6-179.10000108.8M211 S215M211-S213 VanDerWaalsContact C-N 3.28Å; M211-S213 PolarHBondContact O-N 2.95Å; S213-S215 PolarHBondContact O-N 2.88Å
214R24.1Very low27.6Very low255 Ų255151.2 Ų151.296%0.96273%0.732SS**  trans-69.860.9163.8-78.1-178.6163.4-172-4.2107.9I212 S216I212-R214 PolarHBondContact O-N 3.42Å; R214-S216 PolarHBondContact O-N 3.5Å
215S25.4Very low27.7Very low75 Ų75148.7 Ų148.752%0.52472%0.723SS.*  trans-82.594.9173.953.80000108.8S213 H217S213-S215 PolarHBondContact O-N 2.88Å; S215-H217 PolarHBondContact O-N 3.3Å
216S26Very low27.9Very low108 Ų108150.2 Ų150.276%0.75572%0.723SS**  trans45.873.3138.3178.60000117.3R214R214-S216 PolarHBondContact O-N 3.5Å
217H29.1Very low27.9Very low130 Ų130154.3 Ų154.360%0.60274%0.741SS**  trans-102.136165.7-92-82.9000113.3S215 N219S215-H217 PolarHBondContact O-N 3.3Å; H217-N219 PolarHBondContact O-N 3.35Å
218R27.1Very low27.9Very low237 Ų237157 Ų15789%0.89473%0.729SS**THydrogen-bonded Turntrans-73.95.4176.3-115.9-173.9-172.4-167.92.4114.9
219N28.5Very low28Very low157 Ų157161.2 Ų161.284%0.8475%0.746SS**THydrogen-bonded Turntrans-147.739.5-168.3-100.3-11.3000115.8H217H217-N219 PolarHBondContact O-N 3.35Å
220K30.7Very low28Very low143 Ų143157.2 Ų157.262%0.62274%0.737SS**  trans-132.1104.3161-74.1-172.4179176.60109.2W222K220-W222 PolarHBondContact O-N 2.86Å
221K29.2Very low27.8Very low210 Ų210152 Ų15291%0.91373%0.733SS**  trans-46.9106.5158.6-78.4176.3174.2177.50106D223K221-D223 PolarHBondContact O-N 3.13Å
222W30.5Very low27.9Very low211 Ų211152.9 Ų152.980%0.79973%0.726SS**  trans-61.8111.3166.6-86.259.8000105.6K220 R224 L227K220-W222 PolarHBondContact O-N 2.86Å; W222-R224 PolarHBondContact O-N 3.06Å; W222-R224 VanDerWaalsContact O-N 3.13Å; W222-L227 HydrophobicContact CE3-CD1 4.22Å
223D29.1Very low27.8Very low111 Ų111154.4 Ų154.459%0.59473%0.73SS**  trans-59.8119.4179.3-127.8-23.5000107.2K221 E225 T226K221-D223 PolarHBondContact O-N 3.13Å; D223-E225 PolarHBondContact O-N 2.95Å; D223-T226 PolarHBondContact O-N 3.36Å; D223-T226 VanDerWaalsContact O-N 3.11Å; D223-T226 PolarHBondContact O-OG1 3.11Å
224R30.5Very low28Very low227 Ų227162.2 Ų162.286%0.85776%0.764SS**THydrogen-bonded Turntrans-63.30.3-177.1-132.6177.9-176.8-174.70.1112.3W222W222-R224 PolarHBondContact O-N 3.06Å; W222-R224 VanDerWaalsContact O-N 3.13Å
225E31.9Very low28.2Very low132 Ų132157.6 Ų157.662%0.61775%0.754SS**THydrogen-bonded Turntrans-103.1-20.3-179.4-55.5-150128.800113.5D223 L227 K228D223-E225 PolarHBondContact O-N 2.95Å; E225-L227 PolarHBondContact O-N 3.17Å; E225-K228 PolarHBondContact O-N 3.41Å; E225-K228 IonicContact OE1-NZ 3.41Å; E225-K228 PolarHBondContact OE1-NZ 3.35Å
226T30.5Very low28.3Very low117 Ų117161.9 Ų161.972%0.71877%0.766SS**THydrogen-bonded Turntrans-76.6-12.3175.3-18.90000112.5D223D223-T226 PolarHBondContact O-N 3.36Å; D223-T226 VanDerWaalsContact O-N 3.11Å; D223-T226 PolarHBondContact O-OG1 3.11Å
227L30.1Very low28.4Very low134 Ų134164.9 Ų164.970%0.70277%0.767SS**THydrogen-bonded Turntrans-95.111173.8-94151.1000113.5W222 E225W222-L227 HydrophobicContact CE3-CD1 4.22Å; E225-L227 PolarHBondContact O-N 3.17Å
228K25.8Very low28.4Very low142 Ų142166.9 Ų166.962%0.61778%0.776SS**  trans-92.55.6179.2-79.4-176.3179.7169.30115.4E225 H230E225-K228 PolarHBondContact O-N 3.41Å; E225-K228 IonicContact OE1-NZ 3.41Å; E225-K228 PolarHBondContact OE1-NZ 3.35Å; K228-H230 PolarHBondContact O-N 3.04Å
229L27.6Very low28.5Very low149 Ų149162.6 Ų162.678%0.7877%0.769SS**THydrogen-bonded Turntrans-92.9108.6173.8-87.4149.3000109.8
230H27.3Very low28.5Very low146 Ų146162.9 Ų162.968%0.67676%0.764SS**THydrogen-bonded Turntrans84.856.1176.4-61.5-70000116.5K228 W232K228-H230 PolarHBondContact O-N 3.04Å; H230-W232 AromaticContact CG-NE1 3.89Å; H230-W232 AromaticContact ND1-NE1 3.66Å; H230-W232 PolarHBondContact O-N 3.42Å
231S25.7Very low28.3Very low99 Ų99164.4 Ų164.469%0.69277%0.774SS**  trans-5892.6140.954.40000109Q233S231-Q233 VanDerWaalsContact C-N 3.28Å; S231-Q233 PolarHBondContact O-N 3.25Å; S231-Q233 VanDerWaalsContact O-N 3.16Å
232W25.9Very low28.3Very low200 Ų200160.8 Ų160.876%0.75876%0.764SS**  trans-76.489.5160.3-74.241.8000106T66 H230T66-W232 HydrophobicContact CG2-CZ3 4.17Å; H230-W232 AromaticContact CG-NE1 3.89Å; H230-W232 AromaticContact ND1-NE1 3.66Å; H230-W232 PolarHBondContact O-N 3.42Å
233Q25.2Very low28.1Very low172 Ų172156.7 Ų156.780%0.80476%0.761SS**  trans-96.1112.5162.1-98.1178.8-40.200107.2S231S231-Q233 VanDerWaalsContact C-N 3.28Å; S231-Q233 PolarHBondContact O-N 3.25Å; S231-Q233 VanDerWaalsContact O-N 3.16Å
234L27.3Very low28Very low251 Ų251160.8 Ų160.8100%1.31478%0.776SS**  trans77.60174.1-66.4157.4000116.7

Retrieved 234 of 234 residues in 36.1 ms (Link to these results)