A0A077Z6Y5_TRITR Loading...

ATP-dependent DNA helicase 2 subunit 1

AlphaFold DB , UniProt , Accession A0A077Z6Y5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 532 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
1M29.3Very low29.2Very low239 Ų239161.9 Ų161.9100%1.17779%0.789SS**  01050-84176.4177.300105.5
2D28.7Very low29.8Very low158 Ų158159.3 Ų159.385%0.84579%0.794SS**  trans25.691.4173.9-55.1-13.4000117.2
3R27.9Very low30.1Very low202 Ų202161.3 Ų161.376%0.76280%0.8SS**  trans-116101.2153.4-77-171.9175.9-178.6-2.2106.9V5 D165R3-V5 PolarHBondContact O-N 3.08Å; R3-V5 VanDerWaalsContact O-N 3.17Å; R3-D165 IonicContact NH1-OD2 3.99Å
4D30.9Very low30Very low126 Ų126158.3 Ų158.367%0.67480%0.802SS**  trans-55.1114.6170.4-69.5-45.8000108.7W6D4-W6 VanDerWaalsContact O-CD1 3.28Å; D4-W6 PolarHBondContact O-N 3.08Å
5V29.1Very low30.2Very low118 Ų118160.1 Ų160.172%0.71581%0.806SS**  trans-75.399.7171.41770000106.5R3 N7R3-V5 PolarHBondContact O-N 3.08Å; R3-V5 VanDerWaalsContact O-N 3.17Å; V5-N7 VanDerWaalsContact C-N 3.31Å; V5-N7 WeakPolarHBondContact CG1-OD1 3.17Å; V5-N7 PolarHBondContact O-N 2.74Å
6W29.6Very low30.1Very low203 Ų203163 Ų16377%0.76982%0.816SS**  trans-78.183.9172.5-68.188.9000109D4 F8D4-W6 VanDerWaalsContact O-CD1 3.28Å; D4-W6 PolarHBondContact O-N 3.08Å; W6-F8 HydrophobicContact CE3-CD2 4.17Å; W6-F8 AromaticContact CE3-CE2 3.81Å; W6-F8 HydrophobicContact CE3-CE2 3.81Å; W6-F8 HydrophobicContact CZ3-CE2 4.17Å
7N25.7Very low29.9Very low108 Ų108157.4 Ų157.458%0.57881%0.809SS**  trans-81.2111.1164.8-82.22.6000108.6V5V5-N7 VanDerWaalsContact C-N 3.31Å; V5-N7 WeakPolarHBondContact CG1-OD1 3.17Å; V5-N7 PolarHBondContact O-N 2.74Å
8F28.8Very low29.9Very low168 Ų168157.7 Ų157.774%0.73781%0.813SS**  trans-136.9102.9164-81.9-79.3000110.8W6W6-F8 HydrophobicContact CE3-CD2 4.17Å; W6-F8 AromaticContact CE3-CE2 3.81Å; W6-F8 HydrophobicContact CE3-CE2 3.81Å; W6-F8 HydrophobicContact CZ3-CE2 4.17Å
9T27.3Very low29.9Very low127 Ų127156.6 Ų156.678%0.77981%0.813SS**  trans-68.8117163.5-32.10000107.9
10L31Very low30.3Very low166 Ų166155.1 Ų155.187%0.86980%0.802SS**  trans-98.5104170.5-85.1161.1000108.8
11E32.9Very low30.6Very low166 Ų166155 Ų15578%0.77680%0.798SS**  trans-70.4138.4160.6-65.6-177161.700108.6E13E11-E13 PolarHBondContact O-N 3.15Å; E11-E13 VanDerWaalsContact O-N 3.14Å
12P36Very low31.4Very low131 Ų131149.3 Ų149.385%0.85177%0.769SS**  trans-80.2101.5178.231-29.5000109.5S14P12-S14 PolarHBondContact O-N 3.08Å
13E33.9Very low32.5Very low185 Ų185146 Ų14686%0.86475%0.747SS**  trans-70.2115.7159.4-77.6-171.8157.700108.8E11 E15E11-E13 PolarHBondContact O-N 3.15Å; E11-E13 VanDerWaalsContact O-N 3.14Å; E13-E15 PolarHBondContact O-N 3.27Å
14S29Very low33.8Very low119 Ų119142.5 Ų142.583%0.83274%0.74SS**  trans-73.9104.3172.354.60000110.3P12P12-S14 PolarHBondContact O-N 3.08Å
15E32.4Very low35.4Very low185 Ų185137.4 Ų137.486%0.86472%0.718SS**  trans-127127.8159.5-74.4-164.6157.900110.5E13E13-E15 PolarHBondContact O-N 3.27Å
16E28.3Very low37.6Very low207 Ų207132.8 Ų132.897%0.96769%0.689SS**  trans-69.2126.3-177.6-65.7172.1141.400111.2
17G27.8Very low39.7Very low67 Ų67129.9 Ų129.969%0.69168%0.684SS**  trans107.477.1149.300000116.4
18D29.1Very low42.1Very low164 Ų164128.5 Ų128.588%0.87767%0.674SS**  trans-143.1133.7145.2-89.8-39.8000109.3E20D18-E20 PolarHBondContact O-N 3.05Å; D18-E20 VanDerWaalsContact O-N 3.08Å
19V31.3Very low44.5Very low136 Ų136122.5 Ų122.582%0.82466%0.659SS**  trans-70.5102.8-172.1176.80000109.3Q21V19-Q21 PolarHBondContact O-N 3.45Å; V19-Q21 VanDerWaalsContact O-N 3.08Å
20E36Very low47.1Very low127 Ų127117.2 Ų117.259%0.59363%0.626SS**  trans-51.6111.3169.8-74.3-179.3171.800109.8D18 E22D18-E20 PolarHBondContact O-N 3.05Å; D18-E20 VanDerWaalsContact O-N 3.08Å; E20-E22 PolarHBondContact O-N 2.88Å; E20-E22 VanDerWaalsContact O-N 3.08Å
21Q38Very low49.6Very low152 Ų152112.9 Ų112.971%0.7160%0.603SS**  trans-77.193.4177.8-72.7-174.4-000110.1V19 K23V19-Q21 PolarHBondContact O-N 3.45Å; V19-Q21 VanDerWaalsContact O-N 3.08Å; Q21-K23 PolarHBondContact O-N 3.5Å; Q21-K23 VanDerWaalsContact O-N 3.15Å
22E46.6Very low51.9Low120 Ų120106.5 Ų106.556%0.56158%0.577SS**  trans-62.3109.7173.9-64.4-177.5168.200111.4E20E20-E22 PolarHBondContact O-N 2.88Å; E20-E22 VanDerWaalsContact O-N 3.08Å
23K50.1Low54.3Low88 Ų88101.1 Ų101.138%0.38354%0.541SS..  trans-97.2130.1174.7-70.4-176.9-172.1171.40111.4Q21 A63Q21-K23 PolarHBondContact O-N 3.5Å; Q21-K23 VanDerWaalsContact O-N 3.15Å; K23-A63 PolarHBondContact NZ-O 3.34Å
24M55.1Low56.9Low129 Ų12997.7 Ų97.764%0.63552%0.521SS*.  trans-88.8117.8173-62.7179.6-164.300110.1L31M24-L31 HydrophobicContact CE-CD2 3.86Å
25G64.5Low59.8Low20 Ų2093.4 Ų93.421%0.20649%0.49CS..BIsolated β-bridgetrans-12117.2-178.100000115.2V35G25-V35 PolarHBondContact O-N 3.31Å
26N76.6Confident62.5Low20 Ų2087.4 Ų87.411%0.10746%0.463CS..SBendtrans-133.6149.5-178.566.672.6000110.8H28 G29 F30 I33 V35 L77N26-H28 PolarHBondContact O-N 2.93Å; N26-H28 WeakPolarHBondContact OD1-CA 3.19Å; N26-H28 PolarHBondContact OD1-N 3.31Å; N26-H28 VanDerWaalsContact OD1-N 3.1Å; N26-G29 PolarHBondContact O-N 2.82Å; N26-G29 PolarHBondContact OD1-N 2.84Å; N26-F30 PolarHBondContact ND2-N 2.81Å; N26-F30 PolarHBondContact ND2-O 2.97Å; N26-F30 PolarHBondContact OD1-N 3.19Å; N26-I33 PolarHBondContact ND2-O 2.85Å; N26-V35 HydrophobicContact CB-CG2 4.25Å; N26-L77 HydrophobicContact CB-CD1 4.12Å; N26-L77 HydrophobicContact CB-CD2 3.9Å
27E73.9Confident65.4Low142 Ų14280.2 Ų80.266%0.66443%0.429SS*.THydrogen-bonded Turntrans-64-11.1-178.9-67.1176-134.600113.8K84E27-K84 IonicContact OE1-NZ 3.92Å; E27-K84 PolarHBondContact OE1-NZ 3.1Å; E27-K84 IonicContact OE2-NZ 3.37Å; E27-K84 PolarHBondContact OE2-NZ 3.06Å
28H75.4Confident68.2Low80 Ų8081.3 Ų81.337%0.3742%0.417SS..THydrogen-bonded Turntrans-105.2-2.9-171.3-65.1-71.6000113.7N26 F30 M80N26-H28 PolarHBondContact O-N 2.93Å; N26-H28 WeakPolarHBondContact OD1-CA 3.19Å; N26-H28 PolarHBondContact OD1-N 3.31Å; N26-H28 VanDerWaalsContact OD1-N 3.1Å; H28-F30 HydrophobicContact CB-CD2 3.97Å; H28-F30 HydrophobicContact CB-CE2 3.53Å; H28-F30 HydrophobicContact CB-CZ 3.9Å; H28-M80 PolarHBondContact CD2-SD 3.36Å; H28-M80 PolarHBondContact CE1-SD 3.14Å; H28-M80 PolarHBondContact NE2-SD 2.88Å
29G78.5Confident71Confident41 Ų4177.7 Ų77.742%0.42340%0.396SS..  trans72.720.717700000115.1N26N26-G29 PolarHBondContact O-N 2.82Å; N26-G29 PolarHBondContact OD1-N 2.84Å
30F83.6Confident73.6Confident17 Ų1773.3 Ų73.38%0.07538%0.379CS..  trans-68134.4172.7-55.2-56.6000110.4N26 H28 I33 E73 W76 L77N26-F30 PolarHBondContact ND2-N 2.81Å; N26-F30 PolarHBondContact ND2-O 2.97Å; N26-F30 PolarHBondContact OD1-N 3.19Å; H28-F30 HydrophobicContact CB-CD2 3.97Å; H28-F30 HydrophobicContact CB-CE2 3.53Å; H28-F30 HydrophobicContact CB-CZ 3.9Å; F30-I33 HydrophobicContact CB-CB 4.34Å; F30-I33 HydrophobicContact CB-CD1 3.84Å; F30-I33 HydrophobicContact CB-CG1 4.39Å; F30-I33 HydrophobicContact CG-CD1 4.45Å; F30-E73 HydrophobicContact CB-CB 4.29Å; F30-E73 HydrophobicContact CD1-CB 3.82Å; F30-E73 HydrophobicContact CD1-CG 3.73Å; F30-E73 HydrophobicContact CD2-CB 4.45Å; F30-E73 HydrophobicContact CE1-CB 4.31Å; F30-E73 HydrophobicContact CE1-CG 4.09Å; F30-E73 HydrophobicContact CG-CB 3.94Å; F30-E73 HydrophobicContact CG-CG 4.34Å; F30-W76 AromaticContact CE1-CE3 3.53Å; F30-W76 HydrophobicContact CE1-CE3 3.53Å; F30-W76 AromaticContact CE1-CZ3 3.46Å; F30-W76 HydrophobicContact CE1-CZ3 3.46Å; F30-W76 VanDerWaalsContact CE1-CZ3 3.46Å; F30-W76 HydrophobicContact CE2-CE3 4.22Å; F30-W76 AromaticContact CZ-CD2 3.96Å; F30-W76 HydrophobicContact CZ-CD2 3.96Å; F30-W76 AromaticContact CZ-CE3 3.16Å; F30-W76 HydrophobicContact CZ-CE3 3.16Å; F30-W76 HydrophobicContact CZ-CH2 4.2Å; F30-W76 AromaticContact CZ-CZ3 3.32Å; F30-W76 HydrophobicContact CZ-CZ3 3.32Å; F30-L77 HydrophobicContact CD2-CB 4.21Å; F30-L77 HydrophobicContact CD2-CD1 4.34Å; F30-L77 HydrophobicContact CE2-CB 4.17Å; F30-L77 HydrophobicContact CE2-CD1 4.28Å
31L81.8Confident75.9Confident74 Ų7473.7 Ų73.739%0.38738%0.384SS..THydrogen-bonded Turntrans-74.4143.6-179.1-61.9173.3000110.1M24 I33M24-L31 HydrophobicContact CE-CD2 3.86Å; L31-I33 PolarHBondContact O-N 3.48Å
32S81.8Confident78.2Confident33 Ų3372 Ų7223%0.23139%0.387CS..THydrogen-bonded Turntrans58.718.3176-490000115.5K68S32-K68 WeakPolarHBondContact CB-O 3.39Å; S32-K68 PolarHBondContact OG-O 2.83Å
33I87.3Confident80.1Confident17 Ų1771.2 Ų71.29%0.08739%0.386CS..  trans-119.5116.3176.1-56.3174000109.7N26 F30 L31 A69 E73 V74 L77N26-I33 PolarHBondContact ND2-O 2.85Å; F30-I33 HydrophobicContact CB-CB 4.34Å; F30-I33 HydrophobicContact CB-CD1 3.84Å; F30-I33 HydrophobicContact CB-CG1 4.39Å; F30-I33 HydrophobicContact CG-CD1 4.45Å; L31-I33 PolarHBondContact O-N 3.48Å; I33-A69 HydrophobicContact CG1-CB 4.13Å; I33-E73 HydrophobicContact CD1-CB 3.59Å; I33-V74 HydrophobicContact CD1-CB 4.35Å; I33-V74 HydrophobicContact CD1-CG2 3.57Å; I33-V74 HydrophobicContact CG1-CG2 3.96Å; I33-L77 HydrophobicContact CB-CD2 4.47Å; I33-L77 HydrophobicContact CG2-CD2 3.37Å
34Y88.4Confident81.9Confident113 Ų11367.9 Ų67.944%0.44338%0.375SS..BIsolated β-bridgetrans-114.3129.1-178.5-163.1-86.7000111.1L36 Y64Y34-L36 HydrophobicContact CD1-CB 4.45Å; Y34-L36 HydrophobicContact CE1-CD1 4.27Å; Y34-Y64 AromaticContact CD1-CD1 3.83Å; Y34-Y64 HydrophobicContact CD1-CD1 3.83Å; Y34-Y64 AromaticContact CD1-CE1 3.77Å; Y34-Y64 HydrophobicContact CD1-CE1 3.77Å; Y34-Y64 AromaticContact CD2-CD1 3.82Å; Y34-Y64 HydrophobicContact CD2-CD1 3.82Å; Y34-Y64 HydrophobicContact CD2-CE1 4.26Å; Y34-Y64 AromaticContact CE1-CD1 3.77Å; Y34-Y64 HydrophobicContact CE1-CD1 3.77Å; Y34-Y64 AromaticContact CE1-CE1 3.28Å; Y34-Y64 HydrophobicContact CE1-CE1 3.28Å; Y34-Y64 AromaticContact CE2-CD1 3.81Å; Y34-Y64 HydrophobicContact CE2-CD1 3.81Å; Y34-Y64 AromaticContact CE2-CE1 3.87Å; Y34-Y64 HydrophobicContact CE2-CE1 3.87Å; Y34-Y64 AromaticContact CG-CD1 3.87Å; Y34-Y64 HydrophobicContact CG-CD1 3.87Å; Y34-Y64 HydrophobicContact CG-CE1 4.25Å; Y34-Y64 AromaticContact CZ-CD1 3.79Å; Y34-Y64 AromaticContact CZ-CE1 3.36Å
35V88.7Confident83.5Confident30 Ų3063.7 Ų63.718%0.18237%0.365CS..  trans-9797.7172.6-175.10000108.9G25 N26 L77G25-V35 PolarHBondContact O-N 3.31Å; N26-V35 HydrophobicContact CB-CG2 4.25Å; V35-L77 HydrophobicContact CG2-CD2 3.59Å; V35-L77 HydrophobicContact CG2-CG 4.27Å
36L89.2Confident84.7Confident58 Ų5865.2 Ų65.230%0.30437%0.366SS..SBendtrans-60.6-56.7-178.9-175.664000111.7Y34 L50 L53 Y64Y34-L36 HydrophobicContact CD1-CB 4.45Å; Y34-L36 HydrophobicContact CE1-CD1 4.27Å; L36-L50 HydrophobicContact CD2-CD2 3.58Å; L36-L53 HydrophobicContact CD1-CD1 4.2Å; L36-L53 HydrophobicContact CD2-CD1 3.99Å; L36-Y64 HydrophobicContact CD1-CE2 4.25Å; L36-Y64 WeakPolarHBondContact CD1-OH 3.3Å
37H89.2Confident85.3Confident56 Ų5667.5 Ų67.526%0.25938%0.38SS..SBendtrans-128.3132.4176.6-59.7147.8000111.2K46 E49H37-K46 HydrophobicContact CB-CD 4.21Å; H37-K46 VanDerWaalsContact CE1-CB 3.43Å; H37-K46 WeakPolarHBondContact CE1-CB 3.11Å; H37-E49 IonicContact CD2-OE2 2.88Å; H37-E49 IonicContact CE1-OE2 3.56Å; H37-E49 IonicContact NE2-OE2 3.81Å; H37-E49 PolarHBondContact NE2-OE2 3.1Å
38Q87.6Confident86Confident91 Ų9164.4 Ų64.443%0.42536%0.364SS..  trans-68.1151.7168.9-65.8-65.1-23.300111G40Q38-G40 PolarHBondContact O-N 3.05Å
39L87.6Confident86.7Confident87 Ų8763.6 Ų63.646%0.45536%0.361SS..SBendtrans-56.3121.4175.1-72.6178.1000110.6V81 F82 C85L39-V81 HydrophobicContact CB-CG1 4.44Å; L39-V81 HydrophobicContact CD1-CG1 3.67Å; L39-V81 HydrophobicContact CG-CG1 3.64Å; L39-F82 HydrophobicContact CD1-CD1 3.73Å; L39-F82 HydrophobicContact CD1-CE1 3.82Å; L39-F82 HydrophobicContact CD1-CG 4.42Å; L39-C85 HydrophobicContact CD1-CB 4.41Å
40G85.2Confident87.3Confident44 Ų4465.7 Ų65.745%0.45436%0.362SS..SBendtrans-173.5-173-17900000110.9Q38Q38-G40 PolarHBondContact O-N 3.05Å
41L85.7Confident87.5Confident136 Ų13668.8 Ų68.871%0.71238%0.377SS*.  trans-65.9146.4172.9-63.9173000109.9K46L41-K46 PolarHBondContact O-NZ 3.47Å
42P85.4Confident87.8Confident117 Ų11772.1 Ų72.176%0.7638%0.384SS*.  trans-63.4142.6169.128.5-33.6000109
43D86.3Confident88.1Confident103 Ų10371 Ų7155%0.55138%0.376SS*.  trans-137.8152.5-178-177.425.1000109.6G45 K46 V47D43-G45 VanDerWaalsContact C-N 3.26Å; D43-G45 PolarHBondContact O-N 3.34Å; D43-K46 HydrophobicContact CB-CD 4.5Å; D43-K46 HydrophobicContact CB-CG 4.39Å; D43-K46 WeakPolarHBondContact O-CB 3.03Å; D43-K46 PolarHBondContact O-N 3.21Å; D43-K46 VanDerWaalsContact O-N 3.09Å; D43-V47 PolarHBondContact O-N 3.26Å; D43-V47 VanDerWaalsContact O-N 3.16Å
44A87.3Confident88Confident17 Ų1774.3 Ų74.314%0.1441%0.406CS..Hα-helixtrans-53.6-44.2-179.800000111.8K46 V47 K48 V425 L426A44-K46 VanDerWaalsContact C-N 3.31Å; A44-K46 PolarHBondContact O-N 3.45Å; A44-V47 PolarHBondContact O-N 3.01Å; A44-K48 WeakPolarHBondContact O-CG 3.45Å; A44-K48 PolarHBondContact O-N 3.44Å; A44-V425 HydrophobicContact CB-CG1 3.49Å; A44-V425 VanDerWaalsContact CB-CG1 3.49Å; A44-V425 VanDerWaalsContact CB-O 3.31Å; A44-V425 WeakPolarHBondContact CB-O 3.44Å; A44-L426 HydrophobicContact CB-CD2 4.38Å
45G89Confident87.8Confident41 Ų4175.7 Ų75.742%0.42342%0.416SS..Hα-helixtrans-60-40.7179.600000112.7D43 K48 E49D43-G45 VanDerWaalsContact C-N 3.26Å; D43-G45 PolarHBondContact O-N 3.34Å; G45-K48 PolarHBondContact O-N 3.27Å; G45-E49 WeakPolarHBondContact O-CB 3.25Å; G45-E49 PolarHBondContact O-N 3.2Å
46K91Very high87.5Confident53 Ų5378.4 Ų78.423%0.2343%0.43CS..Hα-helixtrans-64.9-40.4176.9-65.7-177179.11770111.8H37 L41 D43 A44 E49 L50H37-K46 HydrophobicContact CB-CD 4.21Å; H37-K46 VanDerWaalsContact CE1-CB 3.43Å; H37-K46 WeakPolarHBondContact CE1-CB 3.11Å; L41-K46 PolarHBondContact O-NZ 3.47Å; D43-K46 HydrophobicContact CB-CD 4.5Å; D43-K46 HydrophobicContact CB-CG 4.39Å; D43-K46 WeakPolarHBondContact O-CB 3.03Å; D43-K46 PolarHBondContact O-N 3.21Å; D43-K46 VanDerWaalsContact O-N 3.09Å; A44-K46 VanDerWaalsContact C-N 3.31Å; A44-K46 PolarHBondContact O-N 3.45Å; K46-E49 PolarHBondContact O-N 3.49Å; K46-L50 WeakPolarHBondContact O-CG 3.34Å; K46-L50 PolarHBondContact O-N 3.07Å
47V88.7Confident86.9Confident68 Ų6880.7 Ų80.741%0.41245%0.449SS..Hα-helixtrans-66.5-46.6177.81780000110.6D43 A44 E49 L50 E51 L426D43-V47 PolarHBondContact O-N 3.26Å; D43-V47 VanDerWaalsContact O-N 3.16Å; A44-V47 PolarHBondContact O-N 3.01Å; V47-E49 VanDerWaalsContact C-N 3.29Å; V47-E49 PolarHBondContact O-N 2.94Å; V47-L50 PolarHBondContact O-N 3.05Å; V47-E51 WeakPolarHBondContact O-CB 3.31Å; V47-E51 PolarHBondContact O-N 2.82Å; V47-L426 HydrophobicContact CB-CD2 4.32Å; V47-L426 HydrophobicContact CG1-CD2 4.22Å
48K89.5Confident86.5Confident76 Ų7679.6 Ų79.633%0.3345%0.449SS..Hα-helixtrans-60.1-38.5176.7-66.6-175.1-166.7-171.50112.1A44 G45 R52 L426 D427A44-K48 WeakPolarHBondContact O-CG 3.45Å; A44-K48 PolarHBondContact O-N 3.44Å; G45-K48 PolarHBondContact O-N 3.27Å; K48-R52 PolarHBondContact O-N 3.24Å; K48-L426 HydrophobicContact CD-CD2 4.4Å; K48-L426 VanDerWaalsContact CE-CA 3.43Å; K48-L426 WeakPolarHBondContact CE-O 3.41Å; K48-L426 HydrophobicContact CG-CD2 3.67Å; K48-L426 VanDerWaalsContact NZ-C 3.29Å; K48-L426 PolarHBondContact NZ-O 3.33Å; K48-D427 IonicContact NZ-OD2 3.41Å; K48-D427 PolarHBondContact NZ-OD2 2.88Å
49E89.9Confident86.2Confident63 Ų6377.7 Ų77.729%0.29444%0.442SS..Hα-helixtrans-65.6-44.8176.4-175.2176.7-164.600111.9H37 G45 K46 V47 R52 L53 Y64H37-E49 IonicContact CD2-OE2 2.88Å; H37-E49 IonicContact CE1-OE2 3.56Å; H37-E49 IonicContact NE2-OE2 3.81Å; H37-E49 PolarHBondContact NE2-OE2 3.1Å; G45-E49 WeakPolarHBondContact O-CB 3.25Å; G45-E49 PolarHBondContact O-N 3.2Å; K46-E49 PolarHBondContact O-N 3.49Å; V47-E49 VanDerWaalsContact C-N 3.29Å; V47-E49 PolarHBondContact O-N 2.94Å; E49-R52 PolarHBondContact O-N 2.8Å; E49-L53 HydrophobicContact CG-CD1 4.32Å; E49-L53 WeakPolarHBondContact O-CG 3.1Å; E49-L53 PolarHBondContact O-N 3.04Å; E49-L53 VanDerWaalsContact O-N 3.07Å; E49-Y64 PolarHBondContact OE1-OH 2.87Å
50L90.3Very high86Confident86 Ų8677.4 Ų77.445%0.4544%0.441SS..Hα-helixtrans-64.8-40.7176.1-72.4170000112L36 K46 V47 R52 L53 A54L36-L50 HydrophobicContact CD2-CD2 3.58Å; K46-L50 WeakPolarHBondContact O-CG 3.34Å; K46-L50 PolarHBondContact O-N 3.07Å; V47-L50 PolarHBondContact O-N 3.05Å; L50-R52 VanDerWaalsContact C-N 3.32Å; L50-R52 PolarHBondContact O-N 2.87Å; L50-L53 PolarHBondContact O-N 3.47Å; L50-A54 WeakPolarHBondContact O-CB 3.48Å; L50-A54 PolarHBondContact O-N 2.97Å
51E87.3Confident85.8Confident82 Ų8281.2 Ų81.238%0.38345%0.446SS..Hα-helixtrans-60.3-42.4175.5-173.1176.1-166.100111.2V47 L53 A54 Q55 R428V47-E51 WeakPolarHBondContact O-CB 3.31Å; V47-E51 PolarHBondContact O-N 2.82Å; E51-L53 PolarHBondContact O-N 3.09Å; E51-A54 PolarHBondContact O-N 3.43Å; E51-Q55 WeakPolarHBondContact O-CG 3.42Å; E51-Q55 PolarHBondContact O-N 2.84Å; E51-R428 VanDerWaalsContact CD-NH2 3.33Å; E51-R428 IonicContact OE1-CZ 3.75Å; E51-R428 IonicContact OE1-NH2 2.74Å; E51-R428 PolarHBondContact OE1-NH2 3.11Å; E51-R428 IonicContact OE2-NH2 2.71Å; E51-R428 PolarHBondContact OE2-NH2 3.46Å
52R87.7Confident85.7Confident143 Ų14380.7 Ų80.754%0.5444%0.444SS..Hα-helixtrans-63.3-40.1175.6-166-172.283.5-174.54.1112.3K48 E49 L50 N59K48-R52 PolarHBondContact O-N 3.24Å; E49-R52 PolarHBondContact O-N 2.8Å; L50-R52 VanDerWaalsContact C-N 3.32Å; L50-R52 PolarHBondContact O-N 2.87Å; R52-N59 PolarHBondContact O-ND2 3.37Å
53L88.1Confident85.5Confident11 Ų1176.4 Ų76.46%0.05842%0.419CS..Hα-helixtrans-72-30.8179.1-68.4171.4000112.2L36 E49 L50 E51 N59 I60 Y64L36-L53 HydrophobicContact CD1-CD1 4.2Å; L36-L53 HydrophobicContact CD2-CD1 3.99Å; E49-L53 HydrophobicContact CG-CD1 4.32Å; E49-L53 WeakPolarHBondContact O-CG 3.1Å; E49-L53 PolarHBondContact O-N 3.04Å; E49-L53 VanDerWaalsContact O-N 3.07Å; L50-L53 PolarHBondContact O-N 3.47Å; E51-L53 PolarHBondContact O-N 3.09Å; L53-N59 HydrophobicContact CD2-CB 4.43Å; L53-I60 HydrophobicContact CB-CG1 4.13Å; L53-I60 HydrophobicContact CD2-CG1 4.21Å; L53-Y64 HydrophobicContact CD1-CE2 3.91Å; L53-Y64 HydrophobicContact CD2-CE2 3.84Å
54A86.6Confident85.4Confident86 Ų8673.7 Ų73.771%0.71140%0.401SS*.Hα-helixtrans-78.7-17.8-179.800000114.1L50 E51 D56L50-A54 WeakPolarHBondContact O-CB 3.48Å; L50-A54 PolarHBondContact O-N 2.97Å; E51-A54 PolarHBondContact O-N 3.43Å; A54-D56 VanDerWaalsContact C-N 3.35Å; A54-D56 PolarHBondContact O-N 2.93Å
55Q84.5Confident85.1Confident142 Ų14274.6 Ų74.666%0.66441%0.413SS*.SBendtrans-65.4-35.1-179.9-80.4171.33.800113.6E51E51-Q55 WeakPolarHBondContact O-CG 3.42Å; E51-Q55 PolarHBondContact O-N 2.84Å
56D80.9Confident84.8Confident87 Ų8776.6 Ų76.647%0.46542%0.42SS..  trans-150.9127.1-179.6-171.5-12.7000109.1A54 A58 N59A54-D56 VanDerWaalsContact C-N 3.35Å; A54-D56 PolarHBondContact O-N 2.93Å; D56-A58 PolarHBondContact O-N 3.44Å; D56-A58 WeakPolarHBondContact OD1-CB 3.46Å; D56-A58 PolarHBondContact OD1-N 3.17Å; D56-N59 VanDerWaalsContact O-CB 3.25Å; D56-N59 WeakPolarHBondContact O-CB 3.36Å; D56-N59 PolarHBondContact O-N 3.16Å
57C76.8Confident84.4Confident106 Ų10675.8 Ų75.872%0.71643%0.427SS*.Hα-helixtrans-56.4-31.8175.3-64.60000111.7N59 I60 E61C57-N59 PolarHBondContact O-N 3.29Å; C57-I60 WeakPolarHBondContact O-CB 3.43Å; C57-I60 PolarHBondContact O-N 2.74Å; C57-E61 PolarHBondContact O-N 3Å
58A80.3Confident84.1Confident32 Ų3281.7 Ų81.726%0.26445%0.447SS..Hα-helixtrans-61.3-25.817600000112.2D56 I60 N62D56-A58 PolarHBondContact O-N 3.44Å; D56-A58 WeakPolarHBondContact OD1-CB 3.46Å; D56-A58 PolarHBondContact OD1-N 3.17Å; A58-I60 VanDerWaalsContact C-N 3.28Å; A58-I60 PolarHBondContact O-N 3.47Å; A58-N62 WeakPolarHBondContact O-CB 3.28Å; A58-N62 PolarHBondContact O-N 3.06Å; A58-N62 PolarHBondContact O-ND2 3.23Å
59N82.1Confident83.8Confident52 Ų5280 Ų8028%0.27845%0.447SS..Hα-helixtrans-66.2-33.8175.4-69.4-27.4000111.8R52 L53 D56 C57 A63R52-N59 PolarHBondContact O-ND2 3.37Å; L53-N59 HydrophobicContact CD2-CB 4.43Å; D56-N59 VanDerWaalsContact O-CB 3.25Å; D56-N59 WeakPolarHBondContact O-CB 3.36Å; D56-N59 PolarHBondContact O-N 3.16Å; C57-N59 PolarHBondContact O-N 3.29Å; N59-A63 WeakPolarHBondContact O-CB 3.34Å; N59-A63 PolarHBondContact O-N 3.36Å
60I83Confident83.6Confident81 Ų8178.3 Ų78.342%0.41544%0.442SS..Hα-helixtrans-72.8-49178.3-59.8175.3000109.4L53 C57 A58 N62 A63 Y64L53-I60 HydrophobicContact CB-CG1 4.13Å; L53-I60 HydrophobicContact CD2-CG1 4.21Å; C57-I60 WeakPolarHBondContact O-CB 3.43Å; C57-I60 PolarHBondContact O-N 2.74Å; A58-I60 VanDerWaalsContact C-N 3.28Å; A58-I60 PolarHBondContact O-N 3.47Å; I60-N62 PolarHBondContact O-N 3.09Å; I60-A63 PolarHBondContact O-N 3.22Å; I60-Y64 HydrophobicContact CG2-CD2 4.31Å; I60-Y64 PolarHBondContact O-N 3.03Å
61E82.2Confident83.5Confident123 Ų12375 Ų7558%0.57543%0.425SS*.Hα-helixtrans-61.8-45.5179.6-170.3173.8-165.400111.5C57 A63 G65C57-E61 PolarHBondContact O-N 3Å; E61-A63 PolarHBondContact O-N 3.02Å; E61-G65 WeakPolarHBondContact O-CA 3.43Å; E61-G65 PolarHBondContact O-N 3.36Å
62N83.5Confident83.6Confident125 Ų12572.8 Ų72.867%0.66841%0.414SS*.Hα-helixtrans-66.2-37.2176.5-71.8-44.9000112.8A58 I60A58-N62 WeakPolarHBondContact O-CB 3.28Å; A58-N62 PolarHBondContact O-N 3.06Å; A58-N62 PolarHBondContact O-ND2 3.23Å; I60-N62 PolarHBondContact O-N 3.09Å
63A80.7Confident83.8Confident28 Ų2869 Ų6923%0.23140%0.403CS..Hα-helixtrans-76.1-43.2-178.300000112.5K23 N59 I60 E61K23-A63 PolarHBondContact NZ-O 3.34Å; N59-A63 WeakPolarHBondContact O-CB 3.34Å; N59-A63 PolarHBondContact O-N 3.36Å; I60-A63 PolarHBondContact O-N 3.22Å; E61-A63 PolarHBondContact O-N 3.02Å
64Y83.6Confident83.9Confident45 Ų4570.3 Ų70.318%0.17641%0.411CS..Hα-helixtrans-122.1-23.6-166.7-57.2-62.7000114.3Y34 L36 E49 L53 I60Y34-Y64 AromaticContact CD1-CD1 3.83Å; Y34-Y64 HydrophobicContact CD1-CD1 3.83Å; Y34-Y64 AromaticContact CD1-CE1 3.77Å; Y34-Y64 HydrophobicContact CD1-CE1 3.77Å; Y34-Y64 AromaticContact CD2-CD1 3.82Å; Y34-Y64 HydrophobicContact CD2-CD1 3.82Å; Y34-Y64 HydrophobicContact CD2-CE1 4.26Å; Y34-Y64 AromaticContact CE1-CD1 3.77Å; Y34-Y64 HydrophobicContact CE1-CD1 3.77Å; Y34-Y64 AromaticContact CE1-CE1 3.28Å; Y34-Y64 HydrophobicContact CE1-CE1 3.28Å; Y34-Y64 AromaticContact CE2-CD1 3.81Å; Y34-Y64 HydrophobicContact CE2-CD1 3.81Å; Y34-Y64 AromaticContact CE2-CE1 3.87Å; Y34-Y64 HydrophobicContact CE2-CE1 3.87Å; Y34-Y64 AromaticContact CG-CD1 3.87Å; Y34-Y64 HydrophobicContact CG-CD1 3.87Å; Y34-Y64 HydrophobicContact CG-CE1 4.25Å; Y34-Y64 AromaticContact CZ-CD1 3.79Å; Y34-Y64 AromaticContact CZ-CE1 3.36Å; L36-Y64 HydrophobicContact CD1-CE2 4.25Å; L36-Y64 WeakPolarHBondContact CD1-OH 3.3Å; E49-Y64 PolarHBondContact OE1-OH 2.87Å; L53-Y64 HydrophobicContact CD1-CE2 3.91Å; L53-Y64 HydrophobicContact CD2-CE2 3.84Å; I60-Y64 HydrophobicContact CG2-CD2 4.31Å; I60-Y64 PolarHBondContact O-N 3.03Å
65G81.7Confident84.2Confident37 Ų3766.3 Ų66.338%0.38138%0.378SS..  trans75173.8-172.600000113E61E61-G65 WeakPolarHBondContact O-CA 3.43Å; E61-G65 PolarHBondContact O-N 3.36Å
66S82Confident84.5Confident82 Ų8264.3 Ų64.357%0.57336%0.364SS*.  trans-116.5151.9166.458.30000108.3
67G82.3Confident85Confident36 Ų3660.8 Ų60.837%0.37135%0.345SS..  trans-174.4164.6-178.100000112.1A69G67-A69 PolarHBondContact O-N 2.9Å
68K82.9Confident85.7Confident192 Ų19257 Ų5784%0.83532%0.32SS*.  trans-74.1119.4-179-169.3174.1-177.4174.30110.7S32S32-K68 WeakPolarHBondContact CB-O 3.39Å; S32-K68 PolarHBondContact OG-O 2.83Å
69A83.2Confident86.1Confident40 Ų4056.3 Ų56.333%0.33131%0.313SS..  trans-113.6146.3177.500000111.8I33 G67I33-A69 HydrophobicContact CG1-CB 4.13Å; G67-A69 PolarHBondContact O-N 2.9Å
70S86.9Confident86.4Confident28 Ų2855.8 Ų55.820%0.19631%0.309CS..  trans-88121.3173.3-179.70000111.2E72 E73 V74S70-E72 PolarHBondContact O-N 3.22Å; S70-E72 VanDerWaalsContact O-N 3.09Å; S70-E73 PolarHBondContact O-N 3.37Å; S70-V74 PolarHBondContact O-N 2.93Å; S70-V74 VanDerWaalsContact O-N 3.12Å
71I88Confident86.8Confident17 Ų1753.1 Ų53.19%0.08730%0.297CS..Hα-helixtrans-53.7-31.1175.6-154.278.4000113V74 F75 P103 Q104 F143I71-V74 PolarHBondContact O-N 3.16Å; I71-F75 HydrophobicContact CD1-CE2 4.08Å; I71-F75 HydrophobicContact CG1-CD2 3.91Å; I71-F75 HydrophobicContact CG1-CE2 3.55Å; I71-F75 VanDerWaalsContact O-CD2 3.27Å; I71-F75 WeakPolarHBondContact O-CD2 3.44Å; I71-F75 PolarHBondContact O-N 3.37Å; I71-F75 VanDerWaalsContact O-N 3.15Å; I71-P103 HydrophobicContact CB-CB 4.38Å; I71-P103 HydrophobicContact CB-CG 4.36Å; I71-P103 HydrophobicContact CD1-CB 4.17Å; I71-P103 HydrophobicContact CD1-CG 4.22Å; I71-P103 HydrophobicContact CG1-CG 4.26Å; I71-Q104 HydrophobicContact CG2-CG 4Å; I71-Q104 VanDerWaalsContact CG2-NE2 3.33Å; I71-F143 HydrophobicContact CB-CZ 4.49Å; I71-F143 HydrophobicContact CG1-CE1 4.03Å; I71-F143 HydrophobicContact CG1-CZ 4.07Å; I71-F143 HydrophobicContact CG2-CE1 4.35Å; I71-F143 HydrophobicContact CG2-CE2 4.15Å; I71-F143 HydrophobicContact CG2-CZ 3.61Å
72E89.4Confident87.1Confident35 Ų3548.3 Ų48.316%0.16427%0.274CS..Hα-helixtrans-62.3-46.5176.4177.6-173.9175.900111.2S70 W76 R113 R117S70-E72 PolarHBondContact O-N 3.22Å; S70-E72 VanDerWaalsContact O-N 3.09Å; E72-W76 VanDerWaalsContact O-CB 3.29Å; E72-W76 WeakPolarHBondContact O-CB 3.35Å; E72-W76 PolarHBondContact O-N 3.2Å; E72-R113 VanDerWaalsContact CD-CB 3.49Å; E72-R113 HydrophobicContact CG-CB 4.1Å; E72-R113 IonicContact OE1-NE 3.98Å; E72-R113 VanDerWaalsContact OE2-CB 3.24Å; E72-R113 WeakPolarHBondContact OE2-CB 3.26Å; E72-R113 VanDerWaalsContact OE2-CD 3.26Å; E72-R113 WeakPolarHBondContact OE2-CD 3.24Å; E72-R113 IonicContact OE2-CZ 2.93Å; E72-R113 IonicContact OE2-NE 2.59Å; E72-R113 PolarHBondContact OE2-NE 2.75Å; E72-R113 IonicContact OE2-NH2 3.16Å; E72-R117 HydrophobicContact CG-CG 3.91Å
73E90.2Very high87.2Confident64 Ų6445.3 Ų45.330%0.29927%0.273SS..Hα-helixtrans-69.8-36.2-178.7-65.2-179.6163.600110.9F30 I33 S70 W76 L77F30-E73 HydrophobicContact CB-CB 4.29Å; F30-E73 HydrophobicContact CD1-CB 3.82Å; F30-E73 HydrophobicContact CD1-CG 3.73Å; F30-E73 HydrophobicContact CD2-CB 4.45Å; F30-E73 HydrophobicContact CE1-CB 4.31Å; F30-E73 HydrophobicContact CE1-CG 4.09Å; F30-E73 HydrophobicContact CG-CB 3.94Å; F30-E73 HydrophobicContact CG-CG 4.34Å; I33-E73 HydrophobicContact CD1-CB 3.59Å; S70-E73 PolarHBondContact O-N 3.37Å; E73-W76 PolarHBondContact O-N 3.05Å; E73-L77 WeakPolarHBondContact O-CB 3.47Å; E73-L77 PolarHBondContact O-N 3.2Å
74V91.3Very high87.5Confident38 Ų3848.5 Ų48.523%0.2328%0.281CS..Hα-helixtrans-58.2-56.5174.4175.90000110.7I33 S70 I71 W76 L77 C78I33-V74 HydrophobicContact CD1-CB 4.35Å; I33-V74 HydrophobicContact CD1-CG2 3.57Å; I33-V74 HydrophobicContact CG1-CG2 3.96Å; S70-V74 PolarHBondContact O-N 2.93Å; S70-V74 VanDerWaalsContact O-N 3.12Å; I71-V74 PolarHBondContact O-N 3.16Å; V74-W76 VanDerWaalsContact C-N 3.29Å; V74-W76 PolarHBondContact O-N 3.48Å; V74-L77 WeakPolarHBondContact O-CB 3.33Å; V74-L77 PolarHBondContact O-N 3.49Å; V74-C78 PolarHBondContact O-N 3.22Å; V74-C78 PolarHBondContact O-SG 3.1Å
75F92.1Very high87.5Confident2 Ų247.8 Ų47.81%0.00928%0.283CS..Hα-helixtrans-67.6-30.6-179.4-73.7-57.9000112.7I71 C78 S79 L96 R117 I118 L121 V128I71-F75 HydrophobicContact CD1-CE2 4.08Å; I71-F75 HydrophobicContact CG1-CD2 3.91Å; I71-F75 HydrophobicContact CG1-CE2 3.55Å; I71-F75 VanDerWaalsContact O-CD2 3.27Å; I71-F75 WeakPolarHBondContact O-CD2 3.44Å; I71-F75 PolarHBondContact O-N 3.37Å; I71-F75 VanDerWaalsContact O-N 3.15Å; F75-C78 PolarHBondContact O-N 3.04Å; F75-S79 PolarHBondContact O-N 3.17Å; F75-L96 HydrophobicContact CZ-CD2 4.13Å; F75-R117 HydrophobicContact CB-CB 3.89Å; F75-I118 HydrophobicContact CD1-CG1 4.48Å; F75-I118 HydrophobicContact CD2-CD1 4.2Å; F75-I118 HydrophobicContact CD2-CG1 3.69Å; F75-I118 HydrophobicContact CE1-CG1 4.36Å; F75-I118 HydrophobicContact CE2-CD1 3.62Å; F75-I118 HydrophobicContact CE2-CG1 3.53Å; F75-I118 HydrophobicContact CG-CG1 4.18Å; F75-I118 HydrophobicContact CZ-CD1 4.03Å; F75-I118 HydrophobicContact CZ-CG1 3.9Å; F75-L121 HydrophobicContact CB-CD1 3.94Å; F75-L121 HydrophobicContact CD1-CD1 3.57Å; F75-L121 HydrophobicContact CE1-CD1 4.47Å; F75-L121 HydrophobicContact CG-CD1 4.1Å; F75-V128 HydrophobicContact CE1-CG1 3.83Å; F75-V128 HydrophobicContact CE1-CG2 4.01Å; F75-V128 HydrophobicContact CZ-CG1 4.08Å
76W91.1Very high87.5Confident100 Ų10057.7 Ų57.738%0.37931%0.309SS..Hα-helixtrans-64.6-45.2173.5-169.925.5000111.3F30 E72 E73 V74 C78 S79 M80F30-W76 AromaticContact CE1-CE3 3.53Å; F30-W76 HydrophobicContact CE1-CE3 3.53Å; F30-W76 AromaticContact CE1-CZ3 3.46Å; F30-W76 HydrophobicContact CE1-CZ3 3.46Å; F30-W76 VanDerWaalsContact CE1-CZ3 3.46Å; F30-W76 HydrophobicContact CE2-CE3 4.22Å; F30-W76 AromaticContact CZ-CD2 3.96Å; F30-W76 HydrophobicContact CZ-CD2 3.96Å; F30-W76 AromaticContact CZ-CE3 3.16Å; F30-W76 HydrophobicContact CZ-CE3 3.16Å; F30-W76 HydrophobicContact CZ-CH2 4.2Å; F30-W76 AromaticContact CZ-CZ3 3.32Å; F30-W76 HydrophobicContact CZ-CZ3 3.32Å; E72-W76 VanDerWaalsContact O-CB 3.29Å; E72-W76 WeakPolarHBondContact O-CB 3.35Å; E72-W76 PolarHBondContact O-N 3.2Å; E73-W76 PolarHBondContact O-N 3.05Å; V74-W76 VanDerWaalsContact C-N 3.29Å; V74-W76 PolarHBondContact O-N 3.48Å; W76-C78 PolarHBondContact O-N 2.77Å; W76-S79 VanDerWaalsContact O-CB 3.3Å; W76-S79 WeakPolarHBondContact O-CB 3.43Å; W76-S79 PolarHBondContact O-N 2.71Å; W76-S79 VanDerWaalsContact O-N 3.17Å; W76-M80 HydrophobicContact CD2-CE 3.7Å; W76-M80 HydrophobicContact CE3-CE 4.39Å; W76-M80 HydrophobicContact CG-CE 4.1Å; W76-M80 HydrophobicContact CH2-CE 4.04Å; W76-M80 HydrophobicContact CZ2-CE 3.3Å; W76-M80 WeakPolarHBondContact O-CG 3.34Å; W76-M80 PolarHBondContact O-N 2.93Å; W76-M80 VanDerWaalsContact O-N 3.14Å
77L91.7Very high87.4Confident13 Ų1360 Ų607%0.06831%0.308CS..Hα-helixtrans-61.5-43.2174.6-174.864.8000111.6N26 F30 I33 V35 E73 V74 S79 M80 V81N26-L77 HydrophobicContact CB-CD1 4.12Å; N26-L77 HydrophobicContact CB-CD2 3.9Å; F30-L77 HydrophobicContact CD2-CB 4.21Å; F30-L77 HydrophobicContact CD2-CD1 4.34Å; F30-L77 HydrophobicContact CE2-CB 4.17Å; F30-L77 HydrophobicContact CE2-CD1 4.28Å; I33-L77 HydrophobicContact CB-CD2 4.47Å; I33-L77 HydrophobicContact CG2-CD2 3.37Å; V35-L77 HydrophobicContact CG2-CD2 3.59Å; V35-L77 HydrophobicContact CG2-CG 4.27Å; E73-L77 WeakPolarHBondContact O-CB 3.47Å; E73-L77 PolarHBondContact O-N 3.2Å; V74-L77 WeakPolarHBondContact O-CB 3.33Å; V74-L77 PolarHBondContact O-N 3.49Å; L77-S79 VanDerWaalsContact C-N 3.28Å; L77-S79 PolarHBondContact O-N 3.17Å; L77-M80 WeakPolarHBondContact O-CB 3.5Å; L77-M80 PolarHBondContact O-N 3.19Å; L77-V81 HydrophobicContact CG-CG2 4.44Å; L77-V81 WeakPolarHBondContact O-CG2 3.36Å; L77-V81 PolarHBondContact O-N 3.18Å
78C91.4Very high87.2Confident28 Ų2870 Ų7019%0.18934%0.335CS..Hα-helixtrans-54.7-45173.4-66.20000111.5V74 F75 W76 M80 V81 F82 V94V74-C78 PolarHBondContact O-N 3.22Å; V74-C78 PolarHBondContact O-SG 3.1Å; F75-C78 PolarHBondContact O-N 3.04Å; W76-C78 PolarHBondContact O-N 2.77Å; C78-M80 VanDerWaalsContact C-N 3.28Å; C78-M80 PolarHBondContact O-N 3.32Å; C78-V81 PolarHBondContact O-N 3.48Å; C78-F82 WeakPolarHBondContact O-CD2 3.38Å; C78-F82 PolarHBondContact O-N 3.23Å; C78-V94 HydrophobicContact CB-CG2 4.2Å
79S89.5Confident86.9Confident17 Ų1766 Ų6612%0.11932%0.315CS..Hα-helixtrans-58.7-40.1177.1-156.10000112.2F75 W76 L77 G83 K124F75-S79 PolarHBondContact O-N 3.17Å; W76-S79 VanDerWaalsContact O-CB 3.3Å; W76-S79 WeakPolarHBondContact O-CB 3.43Å; W76-S79 PolarHBondContact O-N 2.71Å; W76-S79 VanDerWaalsContact O-N 3.17Å; L77-S79 VanDerWaalsContact C-N 3.28Å; L77-S79 PolarHBondContact O-N 3.17Å; S79-G83 PolarHBondContact O-N 3.09Å; S79-K124 PolarHBondContact OG-NZ 2.59Å
80M88.7Confident86.6Confident41 Ų4175.8 Ų75.820%0.20234%0.343CS..Hα-helixtrans-71-41.1178-62.9-170.8-169.400112.6H28 W76 L77 C78 F82 G83 K84H28-M80 PolarHBondContact CD2-SD 3.36Å; H28-M80 PolarHBondContact CE1-SD 3.14Å; H28-M80 PolarHBondContact NE2-SD 2.88Å; W76-M80 HydrophobicContact CD2-CE 3.7Å; W76-M80 HydrophobicContact CE3-CE 4.39Å; W76-M80 HydrophobicContact CG-CE 4.1Å; W76-M80 HydrophobicContact CH2-CE 4.04Å; W76-M80 HydrophobicContact CZ2-CE 3.3Å; W76-M80 WeakPolarHBondContact O-CG 3.34Å; W76-M80 PolarHBondContact O-N 2.93Å; W76-M80 VanDerWaalsContact O-N 3.14Å; L77-M80 WeakPolarHBondContact O-CB 3.5Å; L77-M80 PolarHBondContact O-N 3.19Å; C78-M80 VanDerWaalsContact C-N 3.28Å; C78-M80 PolarHBondContact O-N 3.32Å; M80-F82 VanDerWaalsContact C-N 3.31Å; M80-F82 PolarHBondContact O-N 3.43Å; M80-G83 CarbonylContact O-C 3.56Å; M80-G83 WeakPolarHBondContact O-CA 3.32Å; M80-G83 PolarHBondContact O-N 3.23Å; M80-K84 PolarHBondContact O-N 3.47Å
81V89.4Confident86.3Confident24 Ų2478.2 Ų78.215%0.14535%0.348CS..Hα-helixtrans-59.5-44176.1170.70000110.3L39 L77 C78 G83 K84 C85L39-V81 HydrophobicContact CB-CG1 4.44Å; L39-V81 HydrophobicContact CD1-CG1 3.67Å; L39-V81 HydrophobicContact CG-CG1 3.64Å; L77-V81 HydrophobicContact CG-CG2 4.44Å; L77-V81 WeakPolarHBondContact O-CG2 3.36Å; L77-V81 PolarHBondContact O-N 3.18Å; C78-V81 PolarHBondContact O-N 3.48Å; V81-G83 VanDerWaalsContact C-N 3.33Å; V81-G83 PolarHBondContact O-N 3.12Å; V81-K84 PolarHBondContact O-N 2.91Å; V81-C85 PolarHBondContact O-N 2.8Å
82F88.8Confident86.2Confident23 Ų2377.8 Ų77.810%0.10135%0.347CS..Hα-helixtrans-65.1-35172-78.9-62000113.5L39 C78 M80 C85 S93 V94 V126L39-F82 HydrophobicContact CD1-CD1 3.73Å; L39-F82 HydrophobicContact CD1-CE1 3.82Å; L39-F82 HydrophobicContact CD1-CG 4.42Å; C78-F82 WeakPolarHBondContact O-CD2 3.38Å; C78-F82 PolarHBondContact O-N 3.23Å; M80-F82 VanDerWaalsContact C-N 3.31Å; M80-F82 PolarHBondContact O-N 3.43Å; F82-C85 WeakPolarHBondContact O-CB 3.42Å; F82-C85 PolarHBondContact O-N 3.34Å; F82-S93 WeakPolarHBondContact CZ-O 3.19Å; F82-V94 HydrophobicContact CE2-CG2 3.57Å; F82-V94 HydrophobicContact CZ-CG2 4.18Å; F82-V126 HydrophobicContact CD2-CG1 3.85Å; F82-V126 HydrophobicContact CD2-CG2 4.06Å; F82-V126 HydrophobicContact CE2-CG1 3.51Å; F82-V126 HydrophobicContact CE2-CG2 4.49Å; F82-V126 HydrophobicContact CG-CG2 4.28Å; F82-V126 HydrophobicContact CZ-CG1 4.07Å
83G86.1Confident86.1Confident62 Ų6277.2 Ų77.264%0.63935%0.347SS*.Hα-helixtrans-66.4-32.9176.300000113.8S79 M80 V81 C85S79-G83 PolarHBondContact O-N 3.09Å; M80-G83 CarbonylContact O-C 3.56Å; M80-G83 WeakPolarHBondContact O-CA 3.32Å; M80-G83 PolarHBondContact O-N 3.23Å; V81-G83 VanDerWaalsContact C-N 3.33Å; V81-G83 PolarHBondContact O-N 3.12Å; G83-C85 VanDerWaalsContact C-N 3.32Å
84K86.8Confident86.2Confident94 Ų9475.3 Ų75.341%0.40934%0.339SS..Hα-helixtrans-79.2-12.6176.7-72.2177.1174.4175.60113.6E27 M80 V81 R86E27-K84 IonicContact OE1-NZ 3.92Å; E27-K84 PolarHBondContact OE1-NZ 3.1Å; E27-K84 IonicContact OE2-NZ 3.37Å; E27-K84 PolarHBondContact OE2-NZ 3.06Å; M80-K84 PolarHBondContact O-N 3.47Å; V81-K84 PolarHBondContact O-N 2.91Å; K84-R86 PolarHBondContact O-N 2.78Å
85C83.8Confident86.1Confident31 Ų3176.1 Ų76.121%0.20934%0.34CS..  trans-66.4117.9-177.8-1730000111.3L39 V81 F82 G83 F87L39-C85 HydrophobicContact CD1-CB 4.41Å; V81-C85 PolarHBondContact O-N 2.8Å; F82-C85 WeakPolarHBondContact O-CB 3.42Å; F82-C85 PolarHBondContact O-N 3.34Å; G83-C85 VanDerWaalsContact C-N 3.32Å; C85-F87 VanDerWaalsContact C-N 3.31Å; C85-F87 PolarHBondContact O-N 3.11Å
86R81.6Confident86.1Confident245 Ų24577.4 Ų77.493%0.92535%0.347SS*.  trans-79.1-11.2-179-62.1-176.7-178.6-176.70.6113.9K84K84-R86 PolarHBondContact O-N 2.78Å
87F79.9Confident86.2Confident130 Ų13077.8 Ų77.857%0.5735%0.351SS*.SBendtrans-86.4147.5-175.7-61.2-77000111.7C85 R89C85-F87 VanDerWaalsContact C-N 3.31Å; C85-F87 PolarHBondContact O-N 3.11Å; F87-R89 PolarHBondContact O-N 3.03Å; F87-R89 VanDerWaalsContact O-N 3.13Å
88R78.4Confident86.2Confident247 Ų24778.2 Ų78.293%0.93236%0.355SS*.  trans-68.5111.4171.9-175.6177.7177.5178.50.4109.4
89R75.7Confident86.1Confident107 Ų10782.3 Ų82.340%0.40438%0.375SS..  trans-84.3124.7179.8-59.3177.8-69.4146.7-5.6109.6F87 S92F87-R89 PolarHBondContact O-N 3.03Å; F87-R89 VanDerWaalsContact O-N 3.13Å; R89-S92 PolarHBondContact NH1-OG 3.04Å
90R76.9Confident86.1Confident245 Ų24584 Ų8493%0.92539%0.386SS*.SBendtrans-85.9-29.6165.8-72.7-172.6179.9-178.20.1111.7
91Y80.7Confident86.1Confident80 Ų8083.4 Ų83.431%0.31438%0.383SS..  trans-154.2143.5-177-179.4-87.6000108.4H127 K178Y91-H127 AromaticContact CE2-CD2 3.27Å; Y91-H127 WeakPolarHBondContact CE2-CD2 3.28Å; Y91-H127 AromaticContact CE2-NE2 3.73Å; Y91-H127 AromaticContact CZ-CD2 3.59Å; Y91-K178 HydrophobicContact CD1-CD 3.83Å; Y91-K178 HydrophobicContact CD2-CD 4.28Å; Y91-K178 HydrophobicContact CD2-CG 4.38Å; Y91-K178 HydrophobicContact CE1-CD 4.21Å; Y91-K178 VanDerWaalsContact CE1-NZ 3.26Å; Y91-K178 HydrophobicContact CG-CD 3.81Å; Y91-K178 HydrophobicContact CG-CG 4.4Å
92S86.5Confident86Confident8 Ų885.6 Ų85.66%0.05639%0.392CS..EExtended strand (participates in β ladder)trans-130.9129.2176.4-50.50000108.3R89 V126 H127R89-S92 PolarHBondContact NH1-OG 3.04Å; S92-V126 WeakPolarHBondContact O-CA 3.4Å; S92-H127 PolarHBondContact O-N 3.4Å
93S88.2Confident85.8Confident23 Ų2386.1 Ų86.116%0.16140%0.397CS..EExtended strand (participates in β ladder)trans-139.1147.9174.4157.10000110.6F82 H127 D129F82-S93 WeakPolarHBondContact CZ-O 3.19Å; S93-H127 CarbonylContact C-O 3.58Å; S93-H127 WeakPolarHBondContact CA-O 3.28Å; S93-D129 WeakPolarHBondContact CB-OD2 3.38Å; S93-D129 PolarHBondContact OG-OD2 3.42Å
94V90.7Very high85.5Confident23 Ų2384.6 Ų84.614%0.13937%0.374CS..EExtended strand (participates in β ladder)trans-109.5115.6167.8179.90000107.6C78 F82 V126 H127 V128 D129C78-V94 HydrophobicContact CB-CG2 4.2Å; F82-V94 HydrophobicContact CE2-CG2 3.57Å; F82-V94 HydrophobicContact CZ-CG2 4.18Å; V94-V126 HydrophobicContact CG2-CG1 4.01Å; V94-H127 PolarHBondContact N-O 3.18Å; V94-V128 CarbonylContact O-C 3.31Å; V94-V128 WeakPolarHBondContact O-CA 3.3Å; V94-D129 PolarHBondContact O-N 2.94Å
95F91Very high84.7Confident56 Ų5683.5 Ų83.525%0.24639%0.389CS..EExtended strand (participates in β ladder)trans-84.7120.9167.3-69-84.2000109F97 D129 Q131 V171 N174F95-F97 HydrophobicContact CB-CE2 3.75Å; F95-F97 HydrophobicContact CB-CZ 4.18Å; F95-D129 WeakPolarHBondContact CA-O 3.21Å; F95-D129 HydrophobicContact CD1-CB 3.66Å; F95-D129 HydrophobicContact CE1-CB 3.77Å; F95-D129 HydrophobicContact CG-CB 4.42Å; F95-Q131 HydrophobicContact CD1-CG 4.42Å; F95-V171 HydrophobicContact CD1-CG1 4.46Å; F95-V171 HydrophobicContact CD1-CG2 4.23Å; F95-V171 HydrophobicContact CE1-CG1 4.24Å; F95-V171 HydrophobicContact CE1-CG2 4.45Å; F95-V171 HydrophobicContact CE2-CG1 4.41Å; F95-V171 HydrophobicContact CZ-CG1 4.21Å; F95-N174 HydrophobicContact CE1-CB 3.89Å; F95-N174 HydrophobicContact CZ-CB 4.15Å
96L92Very high84.3Confident29 Ų2984.2 Ų84.215%0.15240%0.402CS..EExtended strand (participates in β ladder)trans-107.3113.2178.1176.861.8000109.4F75 T98 D129 L130 Q131 Y144F75-L96 HydrophobicContact CZ-CD2 4.13Å; L96-T98 HydrophobicContact CD2-CG2 4.29Å; L96-T98 HydrophobicContact CG-CG2 4.07Å; L96-D129 PolarHBondContact N-O 3.13Å; L96-L130 HydrophobicContact CB-CD1 4.23Å; L96-L130 HydrophobicContact CD2-CD1 3.84Å; L96-L130 HydrophobicContact CG-CD1 3.96Å; L96-Q131 PolarHBondContact O-N 3.46Å; L96-Y144 HydrophobicContact CD2-CD1 4.44Å; L96-Y144 HydrophobicContact CD2-CE1 3.52Å
97F91.7Very high84.5Confident108 Ų10876.1 Ų76.147%0.47438%0.377SS..EExtended strand (participates in β ladder)trans-98.8120.3173.5-57.8-93.1000108.5F95 Q131 V133 V171F95-F97 HydrophobicContact CB-CE2 3.75Å; F95-F97 HydrophobicContact CB-CZ 4.18Å; F97-Q131 WeakPolarHBondContact CA-O 3.37Å; F97-Q131 HydrophobicContact CD1-CB 3.55Å; F97-Q131 HydrophobicContact CD1-CG 4.09Å; F97-Q131 HydrophobicContact CE1-CB 3.77Å; F97-Q131 HydrophobicContact CE1-CG 3.79Å; F97-Q131 HydrophobicContact CG-CB 4.24Å; F97-Q131 HydrophobicContact CZ-CG 4.26Å; F97-V133 HydrophobicContact CB-CG2 4.28Å; F97-V171 HydrophobicContact CE1-CG2 3.91Å; F97-V171 HydrophobicContact CZ-CG2 3.61Å
98T91.5Very high84.8Confident22 Ų2274 Ų7414%0.13538%0.375CS..EExtended strand (participates in β ladder)trans-159144.9-176.6-1770000110.6L96 C100 L130 Q131 P132 V133 F138 Y144L96-T98 HydrophobicContact CD2-CG2 4.29Å; L96-T98 HydrophobicContact CG-CG2 4.07Å; T98-C100 PolarHBondContact OG1-N 3.37Å; T98-C100 PolarHBondContact OG1-O 2.91Å; T98-L130 HydrophobicContact CG2-CD1 3.51Å; T98-Q131 PolarHBondContact N-O 2.66Å; T98-P132 WeakPolarHBondContact O-CA 3.21Å; T98-V133 PolarHBondContact O-N 3.23Å; T98-F138 HydrophobicContact CG2-CE2 4.25Å; T98-F138 HydrophobicContact CG2-CZ 4.21Å; T98-Y144 HydrophobicContact CG2-CE2 4.48Å
99D90.5Very high85.2Confident114 Ų11466.9 Ų66.961%0.6136%0.355SS*.SBendtrans-94.3-21.2168.361.3-13.1000112D101 V133D99-D101 PolarHBondContact O-N 3.4Å; D99-V133 VanDerWaalsContact CA-O 3.3Å; D99-V133 WeakPolarHBondContact CA-O 3.19Å; D99-V133 VanDerWaalsContact CB-O 3.27Å; D99-V133 WeakPolarHBondContact CB-O 3.27Å
100C89Confident85.7Confident52 Ų5262 Ų6235%0.35134%0.337SS..  trans-81.8116.2-179.2-172.50000113T98 E102 Y144T98-C100 PolarHBondContact OG1-N 3.37Å; T98-C100 PolarHBondContact OG1-O 2.91Å; C100-E102 VanDerWaalsContact SG-C 3.57Å; C100-Y144 WeakPolarHBondContact O-CE2 3.46Å
101D89.2Confident86.2Confident29 Ų2953.3 Ų53.316%0.15531%0.306CS..SBendtrans-81.4-25.4177.261.11.8000113.8D99 F138 K142D99-D101 PolarHBondContact O-N 3.4Å; D101-F138 HydrophobicContact CB-CD1 4.5Å; D101-F138 HydrophobicContact CB-CD2 4.15Å; D101-F138 HydrophobicContact CB-CE1 4.36Å; D101-F138 HydrophobicContact CB-CE2 4.04Å; D101-F138 HydrophobicContact CB-CG 4.4Å; D101-F138 HydrophobicContact CB-CZ 4.16Å; D101-K142 HydrophobicContact CB-CD 4.33Å; D101-K142 IonicContact OD1-NZ 3.88Å; D101-K142 WeakPolarHBondContact OD2-CD 3.35Å; D101-K142 WeakPolarHBondContact OD2-CE 3.32Å; D101-K142 IonicContact OD2-NZ 3.14Å; D101-K142 PolarHBondContact OD2-NZ 3.47Å
102E87.2Confident86.6Confident70 Ų7055.8 Ų55.833%0.32732%0.319SS..  trans-123.679.7177.2-165.5177.2-179.500112.8C100 Q104 G105 G106 K142C100-E102 VanDerWaalsContact SG-C 3.57Å; E102-Q104 PolarHBondContact O-N 3.03Å; E102-G105 PolarHBondContact O-N 3.27Å; E102-G106 WeakPolarHBondContact OE1-CA 3.36Å; E102-G106 PolarHBondContact OE1-N 3.06Å; E102-K142 HydrophobicContact CB-CB 4.44Å; E102-K142 HydrophobicContact CB-CD 4.28Å
103P84.5Confident86.8Confident33 Ų3360.9 Ų60.921%0.21434%0.337CS..THydrogen-bonded Turntrans-66.8-10.2-171.725.6-35.6000115.2I71 F143I71-P103 HydrophobicContact CB-CB 4.38Å; I71-P103 HydrophobicContact CB-CG 4.36Å; I71-P103 HydrophobicContact CD1-CB 4.17Å; I71-P103 HydrophobicContact CD1-CG 4.22Å; I71-P103 HydrophobicContact CG1-CG 4.26Å; P103-F143 HydrophobicContact CG-CD1 3.77Å; P103-F143 HydrophobicContact CG-CD2 4.38Å; P103-F143 HydrophobicContact CG-CE1 3.98Å; P103-F143 HydrophobicContact CG-CG 4.01Å; P103-F143 HydrophobicContact CG-CZ 4.4Å
104Q78.8Confident87Confident31 Ų3159.8 Ų59.815%0.14533%0.329CS..THydrogen-bonded Turntrans-114.97.6-174.4-66.3-68.1-17.600113.9I71 E102 G106 D107 A110I71-Q104 HydrophobicContact CG2-CG 4Å; I71-Q104 VanDerWaalsContact CG2-NE2 3.33Å; E102-Q104 PolarHBondContact O-N 3.03Å; Q104-G106 VanDerWaalsContact C-N 3.29Å; Q104-G106 PolarHBondContact O-N 3.44Å; Q104-G106 VanDerWaalsContact O-N 3.11Å; Q104-D107 PolarHBondContact O-N 2.89Å; Q104-A110 HydrophobicContact CB-CB 4.36Å; Q104-A110 HydrophobicContact CG-CB 4.09Å; Q104-A110 VanDerWaalsContact OE1-CB 3.27Å
105G70.4Confident86.9Confident71 Ų7160.4 Ų60.473%0.73233%0.331SS*.THydrogen-bonded Turntrans47.844.2170.100000115.1E102E102-G105 PolarHBondContact O-N 3.27Å
106G76.2Confident87Confident46 Ų4662 Ų6247%0.47434%0.34SS..THydrogen-bonded Turntrans87.5-8179.400000117.6E102 Q104 T108E102-G106 WeakPolarHBondContact OE1-CA 3.36Å; E102-G106 PolarHBondContact OE1-N 3.06Å; Q104-G106 VanDerWaalsContact C-N 3.29Å; Q104-G106 PolarHBondContact O-N 3.44Å; Q104-G106 VanDerWaalsContact O-N 3.11Å; G106-T108 PolarHBondContact O-N 3.14Å
107D85.3Confident87Confident74 Ų7463.8 Ų63.840%0.39634%0.344SS..  trans-69.4101.5175-177.45.3000110.8Q104 N109 A110 K111Q104-D107 PolarHBondContact O-N 2.89Å; D107-N109 PolarHBondContact O-N 3.33Å; D107-N109 WeakPolarHBondContact OD1-CB 3.3Å; D107-N109 PolarHBondContact OD1-N 3.17Å; D107-A110 HydrophobicContact CB-CB 4.02Å; D107-A110 PolarHBondContact O-N 3.42Å; D107-A110 PolarHBondContact OD1-N 2.93Å; D107-A110 VanDerWaalsContact OD2-CB 3.28Å; D107-A110 WeakPolarHBondContact OD2-CB 3.48Å; D107-A110 PolarHBondContact OD2-N 3.34Å; D107-K111 VanDerWaalsContact O-CB 3.29Å; D107-K111 WeakPolarHBondContact O-CB 3.47Å; D107-K111 PolarHBondContact O-N 3.37Å
108T85.5Confident86.9Confident86 Ų8658.6 Ų58.653%0.52832%0.322SS..Hα-helixtrans-61.8-31.9-177.8-38.40000111.9G106 K112G106-T108 PolarHBondContact O-N 3.14Å; T108-K112 VanDerWaalsContact O-CG 3.3Å; T108-K112 WeakPolarHBondContact O-CG 3.29Å; T108-K112 PolarHBondContact O-N 3.03Å; T108-K112 VanDerWaalsContact O-N 3.09Å
109N88Confident86.9Confident98 Ų9862.3 Ų62.352%0.52433%0.333SS..Hα-helixtrans-76.8-45.6-178.7-71.3-34.5000111.3D107 K111 K112 R113D107-N109 PolarHBondContact O-N 3.33Å; D107-N109 WeakPolarHBondContact OD1-CB 3.3Å; D107-N109 PolarHBondContact OD1-N 3.17Å; N109-K111 VanDerWaalsContact C-N 3.31Å; N109-K111 PolarHBondContact O-N 2.98Å; N109-K112 PolarHBondContact O-N 3.5Å; N109-R113 WeakPolarHBondContact O-CG 3.46Å; N109-R113 PolarHBondContact O-N 3.26Å
110A86.2Confident87Confident3 Ų358.6 Ų58.63%0.02531%0.313CS..Hα-helixtrans-62.5-39.817400000111.7Q104 D107 K112 R113 G114Q104-A110 HydrophobicContact CB-CB 4.36Å; Q104-A110 HydrophobicContact CG-CB 4.09Å; Q104-A110 VanDerWaalsContact OE1-CB 3.27Å; D107-A110 HydrophobicContact CB-CB 4.02Å; D107-A110 PolarHBondContact O-N 3.42Å; D107-A110 PolarHBondContact OD1-N 2.93Å; D107-A110 VanDerWaalsContact OD2-CB 3.28Å; D107-A110 WeakPolarHBondContact OD2-CB 3.48Å; D107-A110 PolarHBondContact OD2-N 3.34Å; A110-K112 PolarHBondContact O-N 3.22Å; A110-R113 PolarHBondContact O-N 2.86Å; A110-G114 PolarHBondContact O-N 3.37Å
111K87.5Confident87.1Confident64 Ų6456.1 Ų56.128%0.27830%0.297SS..Hα-helixtrans-55.6-50.2171.7174.2166.5-179.7-179.10112D107 N109 R113 G114 I115 K142 F143D107-K111 VanDerWaalsContact O-CB 3.29Å; D107-K111 WeakPolarHBondContact O-CB 3.47Å; D107-K111 PolarHBondContact O-N 3.37Å; N109-K111 VanDerWaalsContact C-N 3.31Å; N109-K111 PolarHBondContact O-N 2.98Å; K111-R113 VanDerWaalsContact C-N 3.35Å; K111-R113 PolarHBondContact O-N 3.15Å; K111-G114 PolarHBondContact O-N 3.49Å; K111-I115 HydrophobicContact CG-CD1 3.88Å; K111-I115 VanDerWaalsContact O-CG1 3.27Å; K111-I115 WeakPolarHBondContact O-CG1 3.24Å; K111-I115 PolarHBondContact O-N 2.92Å; K111-K142 WeakPolarHBondContact CE-O 3.15Å; K111-K142 PolarHBondContact NZ-O 3.41Å; K111-F143 HydrophobicContact CG-CD2 3.97Å; K111-F143 HydrophobicContact CG-CE2 4.33Å
112K89.4Confident87.1Confident132 Ų13257.4 Ų57.457%0.57430%0.301SS*.Hα-helixtrans-60.4-41.2177.4-76.2174.1-177.5176.90112.7T108 N109 A110 Q116T108-K112 VanDerWaalsContact O-CG 3.3Å; T108-K112 WeakPolarHBondContact O-CG 3.29Å; T108-K112 PolarHBondContact O-N 3.03Å; T108-K112 VanDerWaalsContact O-N 3.09Å; N109-K112 PolarHBondContact O-N 3.5Å; A110-K112 PolarHBondContact O-N 3.22Å; K112-Q116 PolarHBondContact O-N 3.26Å
113R91Very high87.1Confident114 Ų11461.5 Ų61.543%0.4332%0.32SS..Hα-helixtrans-67.1-41.8177.5-67.6-170.7-61-97.7-2.9112E72 N109 A110 K111 Q116 R117E72-R113 VanDerWaalsContact CD-CB 3.49Å; E72-R113 HydrophobicContact CG-CB 4.1Å; E72-R113 IonicContact OE1-NE 3.98Å; E72-R113 VanDerWaalsContact OE2-CB 3.24Å; E72-R113 WeakPolarHBondContact OE2-CB 3.26Å; E72-R113 VanDerWaalsContact OE2-CD 3.26Å; E72-R113 WeakPolarHBondContact OE2-CD 3.24Å; E72-R113 IonicContact OE2-CZ 2.93Å; E72-R113 IonicContact OE2-NE 2.59Å; E72-R113 PolarHBondContact OE2-NE 2.75Å; E72-R113 IonicContact OE2-NH2 3.16Å; N109-R113 WeakPolarHBondContact O-CG 3.46Å; N109-R113 PolarHBondContact O-N 3.26Å; A110-R113 PolarHBondContact O-N 2.86Å; K111-R113 VanDerWaalsContact C-N 3.35Å; K111-R113 PolarHBondContact O-N 3.15Å; R113-Q116 PolarHBondContact O-N 2.98Å; R113-R117 WeakPolarHBondContact O-CG 3.27Å; R113-R117 PolarHBondContact O-N 3.38Å
114G90.5Very high87.2Confident0 Ų065.8 Ų65.80%034%0.335CS..Hα-helixtrans-59.2-47.2173.900000112.7A110 K111 Q116 R117 I118A110-G114 PolarHBondContact O-N 3.37Å; K111-G114 PolarHBondContact O-N 3.49Å; G114-Q116 VanDerWaalsContact C-N 3.32Å; G114-Q116 PolarHBondContact O-N 3.47Å; G114-R117 PolarHBondContact O-N 3.46Å; G114-R117 VanDerWaalsContact O-N 3.13Å; G114-I118 PolarHBondContact O-N 3.25Å; G114-I118 VanDerWaalsContact O-N 3.11Å
115I90.5Very high87.6Confident36 Ų3668.2 Ų68.219%0.18536%0.355CS..Hα-helixtrans-58.4-44.2175.3-69.5169000111K111 R117 I118 R119 F143 V146K111-I115 HydrophobicContact CG-CD1 3.88Å; K111-I115 VanDerWaalsContact O-CG1 3.27Å; K111-I115 WeakPolarHBondContact O-CG1 3.24Å; K111-I115 PolarHBondContact O-N 2.92Å; I115-R117 VanDerWaalsContact C-N 3.32Å; I115-R117 PolarHBondContact O-N 3.03Å; I115-I118 PolarHBondContact O-N 3.35Å; I115-R119 PolarHBondContact O-N 2.9Å; I115-R119 VanDerWaalsContact O-N 3.09Å; I115-F143 HydrophobicContact CG1-CD2 4.47Å; I115-F143 HydrophobicContact CG1-CE2 4.1Å; I115-V146 HydrophobicContact CB-CG1 4.47Å; I115-V146 HydrophobicContact CG1-CG1 4.18Å; I115-V146 HydrophobicContact CG2-CB 4.13Å; I115-V146 HydrophobicContact CG2-CG1 4.25Å; I115-V146 HydrophobicContact CG2-CG2 3.88Å
116Q91.8Very high88.4Confident91 Ų9164.9 Ų64.943%0.42532%0.321SS..Hα-helixtrans-61.2-40.3176.8-174.559.242.700111.8K112 R113 G114 I118 R119 D120K112-Q116 PolarHBondContact O-N 3.26Å; R113-Q116 PolarHBondContact O-N 2.98Å; G114-Q116 VanDerWaalsContact C-N 3.32Å; G114-Q116 PolarHBondContact O-N 3.47Å; Q116-I118 PolarHBondContact O-N 2.88Å; Q116-R119 PolarHBondContact O-N 3.13Å; Q116-D120 PolarHBondContact NE2-OD1 3.13Å; Q116-D120 VanDerWaalsContact O-CG 3.24Å; Q116-D120 PolarHBondContact O-N 2.93Å
117R91.5Very high88.9Confident65 Ų6566.4 Ų66.425%0.24532%0.316CS..Hα-helixtrans-64.8-36.1177-69-57-172.2-168.53.5113.5E72 F75 R113 G114 I115 R119 D120 L121E72-R117 HydrophobicContact CG-CG 3.91Å; F75-R117 HydrophobicContact CB-CB 3.89Å; R113-R117 WeakPolarHBondContact O-CG 3.27Å; R113-R117 PolarHBondContact O-N 3.38Å; G114-R117 PolarHBondContact O-N 3.46Å; G114-R117 VanDerWaalsContact O-N 3.13Å; I115-R117 VanDerWaalsContact C-N 3.32Å; I115-R117 PolarHBondContact O-N 3.03Å; R117-R119 VanDerWaalsContact C-N 3.34Å; R117-D120 IonicContact NH1-OD2 3.03Å; R117-D120 PolarHBondContact NH1-OD2 3.25Å; R117-D120 PolarHBondContact O-N 3.27Å; R117-L121 WeakPolarHBondContact O-CG 3.5Å; R117-L121 PolarHBondContact O-N 2.92Å; R117-L121 VanDerWaalsContact O-N 3.08Å
118I91.4Very high89.1Confident0 Ų063.2 Ų63.20%030%0.299CS..Hα-helixtrans-65-42173.9-63.8168.3000110.1F75 G114 I115 Q116 L121 K122 V128 F143 V146 I147F75-I118 HydrophobicContact CD1-CG1 4.48Å; F75-I118 HydrophobicContact CD2-CD1 4.2Å; F75-I118 HydrophobicContact CD2-CG1 3.69Å; F75-I118 HydrophobicContact CE1-CG1 4.36Å; F75-I118 HydrophobicContact CE2-CD1 3.62Å; F75-I118 HydrophobicContact CE2-CG1 3.53Å; F75-I118 HydrophobicContact CG-CG1 4.18Å; F75-I118 HydrophobicContact CZ-CD1 4.03Å; F75-I118 HydrophobicContact CZ-CG1 3.9Å; G114-I118 PolarHBondContact O-N 3.25Å; G114-I118 VanDerWaalsContact O-N 3.11Å; I115-I118 PolarHBondContact O-N 3.35Å; Q116-I118 PolarHBondContact O-N 2.88Å; I118-L121 WeakPolarHBondContact O-CB 3.33Å; I118-L121 PolarHBondContact O-N 3.27Å; I118-K122 PolarHBondContact O-N 3.35Å; I118-V128 HydrophobicContact CG2-CG2 4.34Å; I118-F143 HydrophobicContact CD1-CE1 4Å; I118-F143 HydrophobicContact CD1-CZ 4.17Å; I118-V146 HydrophobicContact CB-CG1 4.14Å; I118-V146 HydrophobicContact CD1-CG1 3.65Å; I118-V146 HydrophobicContact CG2-CG1 4.04Å; I118-V146 HydrophobicContact CG2-CG2 4.4Å; I118-I147 HydrophobicContact CG2-CG1 4.41Å
119R91.3Very high89.2Confident99 Ų9960.7 Ų60.737%0.37428%0.282SS..Hα-helixtrans-63.2-43.7174.9-69.2178.3176.4167.3-3.8112.3I115 Q116 R117 L121 K122 E123 V146 D151I115-R119 PolarHBondContact O-N 2.9Å; I115-R119 VanDerWaalsContact O-N 3.09Å; Q116-R119 PolarHBondContact O-N 3.13Å; R117-R119 VanDerWaalsContact C-N 3.34Å; R119-L121 PolarHBondContact O-N 3.11Å; R119-K122 WeakPolarHBondContact O-CB 3.5Å; R119-K122 PolarHBondContact O-N 3.45Å; R119-K122 VanDerWaalsContact O-N 3.11Å; R119-E123 PolarHBondContact O-N 3.46Å; R119-V146 HydrophobicContact CG-CG2 3.71Å; R119-D151 IonicContact NH2-OD2 4Å; R119-D151 PolarHBondContact NH2-OD2 2.98Å
120D92Very high89.2Confident36 Ų3656.4 Ų56.419%0.19326%0.259CS..Hα-helixtrans-58.3-34.4174.8-65.4-5.6000111.9Q116 R117 K124Q116-D120 PolarHBondContact NE2-OD1 3.13Å; Q116-D120 VanDerWaalsContact O-CG 3.24Å; Q116-D120 PolarHBondContact O-N 2.93Å; R117-D120 IonicContact NH1-OD2 3.03Å; R117-D120 PolarHBondContact NH1-OD2 3.25Å; R117-D120 PolarHBondContact O-N 3.27Å; D120-K124 WeakPolarHBondContact O-CG 3.44Å; D120-K124 PolarHBondContact O-N 3.5Å
121L91.2Very high89.4Confident1 Ų156.3 Ų56.31%0.00526%0.258CS..Hα-helixtrans-70.1-44.3174.9-75.8173.9000111.7F75 R117 I118 R119 E123 K124 S125 V126 V128F75-L121 HydrophobicContact CB-CD1 3.94Å; F75-L121 HydrophobicContact CD1-CD1 3.57Å; F75-L121 HydrophobicContact CE1-CD1 4.47Å; F75-L121 HydrophobicContact CG-CD1 4.1Å; R117-L121 WeakPolarHBondContact O-CG 3.5Å; R117-L121 PolarHBondContact O-N 2.92Å; R117-L121 VanDerWaalsContact O-N 3.08Å; I118-L121 WeakPolarHBondContact O-CB 3.33Å; I118-L121 PolarHBondContact O-N 3.27Å; R119-L121 PolarHBondContact O-N 3.11Å; L121-E123 VanDerWaalsContact C-N 3.34Å; L121-E123 PolarHBondContact O-N 2.88Å; L121-K124 CarbonylContact O-C 3.57Å; L121-K124 WeakPolarHBondContact O-CA 3.29Å; L121-K124 WeakPolarHBondContact O-CB 3.25Å; L121-K124 PolarHBondContact O-N 3.07Å; L121-S125 PolarHBondContact O-N 2.91Å; L121-V126 CarbonylContact C-O 3.48Å; L121-V126 HydrophobicContact CB-CB 4.16Å; L121-V126 HydrophobicContact CD2-CB 4.13Å; L121-V126 HydrophobicContact CD2-CG1 4.21Å; L121-V126 HydrophobicContact CD2-CG2 4.33Å; L121-V126 WeakPolarHBondContact O-CB 3.46Å; L121-V126 PolarHBondContact O-N 3.47Å; L121-V128 HydrophobicContact CD1-CG2 4.22Å
122K87.9Confident89.5Confident56 Ų5653.3 Ų53.324%0.24325%0.245CC..Hα-helixtrans-59-43.7175.6-73.4-174.7169.2-166.90112I118 R119 K124 S125 V146 I147 F148 D149I118-K122 PolarHBondContact O-N 3.35Å; R119-K122 WeakPolarHBondContact O-CB 3.5Å; R119-K122 PolarHBondContact O-N 3.45Å; R119-K122 VanDerWaalsContact O-N 3.11Å; K122-K124 PolarHBondContact O-N 2.92Å; K122-S125 WeakPolarHBondContact O-CA 3.36Å; K122-S125 PolarHBondContact O-N 2.92Å; K122-V146 WeakPolarHBondContact CE-O 3.39Å; K122-V146 PolarHBondContact NZ-O 2.97Å; K122-I147 WeakPolarHBondContact CE-O 3.35Å; K122-I147 PolarHBondContact NZ-O 2.76Å; K122-F148 PolarHBondContact NZ-O 3.39Å; K122-D149 IonicContact NZ-OD1 2.71Å
123E89Confident89.6Confident156 Ų15649.3 Ų49.373%0.72923%0.231SC*.Hα-helixtrans-59.6-32.2175-72.9-177.5-176.900112.6R119 L121 S125R119-E123 PolarHBondContact O-N 3.46Å; L121-E123 VanDerWaalsContact C-N 3.34Å; L121-E123 PolarHBondContact O-N 2.88Å; E123-S125 PolarHBondContact O-N 3.17Å
124K86.8Confident89.3Confident122 Ų12244.5 Ų44.553%0.5322%0.218SC..THydrogen-bonded Turntrans-83.611174.1-68.9175.1-177.3175.30113.7S79 D120 L121 K122 V126S79-K124 PolarHBondContact OG-NZ 2.59Å; D120-K124 WeakPolarHBondContact O-CG 3.44Å; D120-K124 PolarHBondContact O-N 3.5Å; L121-K124 CarbonylContact O-C 3.57Å; L121-K124 WeakPolarHBondContact O-CA 3.29Å; L121-K124 WeakPolarHBondContact O-CB 3.25Å; L121-K124 PolarHBondContact O-N 3.07Å; K122-K124 PolarHBondContact O-N 2.92Å; K124-V126 VanDerWaalsContact C-N 3.25Å; K124-V126 HydrophobicContact CB-CG2 4.37Å; K124-V126 PolarHBondContact O-N 3.35Å
125S85.4Confident88.7Confident82 Ų8250.7 Ų50.757%0.57325%0.251SS*.THydrogen-bonded Turntrans56.338.9-175.8-460000112.9L121 K122 E123L121-S125 PolarHBondContact O-N 2.91Å; K122-S125 WeakPolarHBondContact O-CA 3.36Å; K122-S125 PolarHBondContact O-N 2.92Å; E123-S125 PolarHBondContact O-N 3.17Å
126V87.8Confident88.1Confident2 Ų252.1 Ų52.11%0.01226%0.264CS..EExtended strand (participates in β ladder)trans-107.1115.1168.8-175.90000107.8F82 S92 V94 L121 K124F82-V126 HydrophobicContact CD2-CG1 3.85Å; F82-V126 HydrophobicContact CD2-CG2 4.06Å; F82-V126 HydrophobicContact CE2-CG1 3.51Å; F82-V126 HydrophobicContact CE2-CG2 4.49Å; F82-V126 HydrophobicContact CG-CG2 4.28Å; F82-V126 HydrophobicContact CZ-CG1 4.07Å; S92-V126 WeakPolarHBondContact O-CA 3.4Å; V94-V126 HydrophobicContact CG2-CG1 4.01Å; L121-V126 CarbonylContact C-O 3.48Å; L121-V126 HydrophobicContact CB-CB 4.16Å; L121-V126 HydrophobicContact CD2-CB 4.13Å; L121-V126 HydrophobicContact CD2-CG1 4.21Å; L121-V126 HydrophobicContact CD2-CG2 4.33Å; L121-V126 WeakPolarHBondContact O-CB 3.46Å; L121-V126 PolarHBondContact O-N 3.47Å; K124-V126 VanDerWaalsContact C-N 3.25Å; K124-V126 HydrophobicContact CB-CG2 4.37Å; K124-V126 PolarHBondContact O-N 3.35Å
127H86.8Confident87.8Confident78 Ų7855.7 Ų55.736%0.36128%0.28SS..EExtended strand (participates in β ladder)trans-82.1148.8176.2-59.4-83.7000110Y91 S92 S93 V94Y91-H127 AromaticContact CE2-CD2 3.27Å; Y91-H127 WeakPolarHBondContact CE2-CD2 3.28Å; Y91-H127 AromaticContact CE2-NE2 3.73Å; Y91-H127 AromaticContact CZ-CD2 3.59Å; S92-H127 PolarHBondContact O-N 3.4Å; S93-H127 CarbonylContact C-O 3.58Å; S93-H127 WeakPolarHBondContact CA-O 3.28Å; V94-H127 PolarHBondContact N-O 3.18Å
128V89Confident87.6Confident6 Ų653.2 Ų53.24%0.03627%0.271CS..EExtended strand (participates in β ladder)trans-114.7120.9172.4-177.90000105.9F75 V94 I118 L121 I147F75-V128 HydrophobicContact CE1-CG1 3.83Å; F75-V128 HydrophobicContact CE1-CG2 4.01Å; F75-V128 HydrophobicContact CZ-CG1 4.08Å; V94-V128 CarbonylContact O-C 3.31Å; V94-V128 WeakPolarHBondContact O-CA 3.3Å; I118-V128 HydrophobicContact CG2-CG2 4.34Å; L121-V128 HydrophobicContact CD1-CG2 4.22Å; V128-I147 HydrophobicContact CB-CD1 4.41Å; V128-I147 HydrophobicContact CB-CG1 4.35Å; V128-I147 HydrophobicContact CG1-CD1 3.78Å; V128-I147 HydrophobicContact CG1-CG1 4.21Å; V128-I147 WeakPolarHBondContact O-CG2 3.39Å
129D87.7Confident87.4Confident33 Ų3355.4 Ų55.418%0.17628%0.283CS..EExtended strand (participates in β ladder)trans-110.7105.3-179.2-67.1-64.9000108S93 V94 F95 L96S93-D129 WeakPolarHBondContact CB-OD2 3.38Å; S93-D129 PolarHBondContact OG-OD2 3.42Å; V94-D129 PolarHBondContact O-N 2.94Å; F95-D129 WeakPolarHBondContact CA-O 3.21Å; F95-D129 HydrophobicContact CD1-CB 3.66Å; F95-D129 HydrophobicContact CE1-CB 3.77Å; F95-D129 HydrophobicContact CG-CB 4.42Å; L96-D129 PolarHBondContact N-O 3.13Å
130L89.6Confident87.2Confident8 Ų851.7 Ų51.74%0.04227%0.269CS..EExtended strand (participates in β ladder)trans-78133.2179-177.665.1000110.6L96 T98 P132 F138 Y140 Y144 I147 P158L96-L130 HydrophobicContact CB-CD1 4.23Å; L96-L130 HydrophobicContact CD2-CD1 3.84Å; L96-L130 HydrophobicContact CG-CD1 3.96Å; T98-L130 HydrophobicContact CG2-CD1 3.51Å; L130-P132 HydrophobicContact CD2-CG 4.23Å; L130-P132 HydrophobicContact CG-CG 4.12Å; L130-F138 HydrophobicContact CD1-CZ 4.36Å; L130-F138 HydrophobicContact CD2-CD1 4.38Å; L130-F138 HydrophobicContact CD2-CE1 3.42Å; L130-F138 VanDerWaalsContact CD2-CE1 3.42Å; L130-F138 HydrophobicContact CD2-CZ 3.78Å; L130-F138 HydrophobicContact CG-CE1 4.48Å; L130-Y140 HydrophobicContact CD2-CD1 3.95Å; L130-Y140 HydrophobicContact CD2-CE1 3.43Å; L130-Y140 VanDerWaalsContact CD2-CE1 3.43Å; L130-Y140 HydrophobicContact CG-CE1 4.47Å; L130-Y144 HydrophobicContact CD1-CD1 4.24Å; L130-Y144 HydrophobicContact CD1-CE1 4.16Å; L130-Y144 HydrophobicContact CD1-CG 4.49Å; L130-Y144 HydrophobicContact CD2-CD1 4.04Å; L130-Y144 HydrophobicContact CD2-CD2 3.93Å; L130-Y144 HydrophobicContact CD2-CG 3.6Å; L130-I147 HydrophobicContact CB-CD1 3.86Å; L130-P158 WeakPolarHBondContact O-CG 3.37Å
131Q89.7Confident86.9Confident2 Ų254.4 Ų54.41%0.00928%0.284CS..EExtended strand (participates in β ladder)trans-122.190.6173.8-59.7-55.8-50.200108F95 L96 F97 T98 V133 L167 V171F95-Q131 HydrophobicContact CD1-CG 4.42Å; L96-Q131 PolarHBondContact O-N 3.46Å; F97-Q131 WeakPolarHBondContact CA-O 3.37Å; F97-Q131 HydrophobicContact CD1-CB 3.55Å; F97-Q131 HydrophobicContact CD1-CG 4.09Å; F97-Q131 HydrophobicContact CE1-CB 3.77Å; F97-Q131 HydrophobicContact CE1-CG 3.79Å; F97-Q131 HydrophobicContact CG-CB 4.24Å; F97-Q131 HydrophobicContact CZ-CG 4.26Å; T98-Q131 PolarHBondContact N-O 2.66Å; Q131-V133 PolarHBondContact O-N 3.18Å; Q131-L167 HydrophobicContact CB-CD2 4.36Å; Q131-V171 HydrophobicContact CG-CG2 4.46Å
132P89.9Confident86.7Confident0 Ų057.9 Ų57.90%030%0.299CS..EExtended strand (participates in β ladder)trans-63.5131.7176.2-21.534.6000111T98 L130 F138 Y140 A160T98-P132 WeakPolarHBondContact O-CA 3.21Å; L130-P132 HydrophobicContact CD2-CG 4.23Å; L130-P132 HydrophobicContact CG-CG 4.12Å; P132-F138 HydrophobicContact CB-CB 3.95Å; P132-F138 HydrophobicContact CB-CD1 4.09Å; P132-F138 HydrophobicContact CB-CD2 3.73Å; P132-F138 HydrophobicContact CB-CE2 4.18Å; P132-F138 HydrophobicContact CB-CG 3.66Å; P132-F138 HydrophobicContact CG-CB 4.46Å; P132-F138 HydrophobicContact CG-CD1 3.9Å; P132-F138 HydrophobicContact CG-CD2 4.39Å; P132-F138 HydrophobicContact CG-CE1 4.2Å; P132-F138 HydrophobicContact CG-CG 4Å; P132-Y140 WeakPolarHBondContact CG-OH 3.3Å; P132-A160 HydrophobicContact CB-CB 4.04Å
133V90.1Very high86.7Confident48 Ų4855.5 Ų55.529%0.29129%0.289SS..BIsolated β-bridgetrans-114.6141.2179.9-176.40000109.3F97 T98 D99 Q131 L167F97-V133 HydrophobicContact CB-CG2 4.28Å; T98-V133 PolarHBondContact O-N 3.23Å; D99-V133 VanDerWaalsContact CA-O 3.3Å; D99-V133 WeakPolarHBondContact CA-O 3.19Å; D99-V133 VanDerWaalsContact CB-O 3.27Å; D99-V133 WeakPolarHBondContact CB-O 3.27Å; Q131-V133 PolarHBondContact O-N 3.18Å; V133-L167 HydrophobicContact CG1-CD1 4.49Å; V133-L167 HydrophobicContact CG2-CD1 4.04Å; V133-L167 HydrophobicContact CG2-CD2 4.46Å
134G85.5Confident86.7Confident14 Ų1448.1 Ų48.114%0.14425%0.254CS..SBendtrans119.2178.5175.200000114.4A160 T161G134-A160 CarbonylContact O-C 3.47Å; G134-A160 VanDerWaalsContact O-C 3.31Å; G134-A160 WeakPolarHBondContact O-CB 3.41Å; G134-T161 PolarHBondContact N-O 3.25Å; G134-T161 VanDerWaalsContact N-O 3.13Å; G134-T161 CarbonylContact O-C 3.54Å; G134-T161 PolarHBondContact O-N 3.02Å
135D78.6Confident86.8Confident130 Ų13047.5 Ų47.570%0.69525%0.248SC*.SBendtrans-87.6-20.7179.660.4-9.6000113.8E162D135-E162 HydrophobicContact CB-CG 4.45Å; D135-E162 WeakPolarHBondContact CB-OE1 3.45Å
136S77.4Confident86.8Confident66 Ų6643.9 Ų43.946%0.46222%0.223SC..SBendtrans-81157.9-171.573.30000113.9F138 A160S136-F138 PolarHBondContact O-N 3.2Å; S136-A160 VanDerWaalsContact O-CB 3.3Å; S136-A160 WeakPolarHBondContact O-CB 3.3Å
137H85.4Confident86.7Confident165 Ų16544.7 Ų44.776%0.76423%0.227SC*.  trans-67.4115.5173.9177.569.7000110.4
138F87.3Confident86.6Confident13 Ų1342.3 Ų42.36%0.05722%0.216CC..  trans-88.9114178.2-166.2-84.9000111.3T98 D101 L130 P132 S136 Y140 Y144 A160T98-F138 HydrophobicContact CG2-CE2 4.25Å; T98-F138 HydrophobicContact CG2-CZ 4.21Å; D101-F138 HydrophobicContact CB-CD1 4.5Å; D101-F138 HydrophobicContact CB-CD2 4.15Å; D101-F138 HydrophobicContact CB-CE1 4.36Å; D101-F138 HydrophobicContact CB-CE2 4.04Å; D101-F138 HydrophobicContact CB-CG 4.4Å; D101-F138 HydrophobicContact CB-CZ 4.16Å; L130-F138 HydrophobicContact CD1-CZ 4.36Å; L130-F138 HydrophobicContact CD2-CD1 4.38Å; L130-F138 HydrophobicContact CD2-CE1 3.42Å; L130-F138 VanDerWaalsContact CD2-CE1 3.42Å; L130-F138 HydrophobicContact CD2-CZ 3.78Å; L130-F138 HydrophobicContact CG-CE1 4.48Å; P132-F138 HydrophobicContact CB-CB 3.95Å; P132-F138 HydrophobicContact CB-CD1 4.09Å; P132-F138 HydrophobicContact CB-CD2 3.73Å; P132-F138 HydrophobicContact CB-CE2 4.18Å; P132-F138 HydrophobicContact CB-CG 3.66Å; P132-F138 HydrophobicContact CG-CB 4.46Å; P132-F138 HydrophobicContact CG-CD1 3.9Å; P132-F138 HydrophobicContact CG-CD2 4.39Å; P132-F138 HydrophobicContact CG-CE1 4.2Å; P132-F138 HydrophobicContact CG-CG 4Å; S136-F138 PolarHBondContact O-N 3.2Å; F138-Y140 HydrophobicContact CD1-CD2 4.42Å; F138-Y140 HydrophobicContact CD1-CE1 4.42Å; F138-Y140 HydrophobicContact CD1-CE2 4.31Å; F138-Y140 HydrophobicContact CE1-CD1 4.39Å; F138-Y140 HydrophobicContact CE1-CE1 4.37Å; F138-Y144 AromaticContact CE1-CD2 3.66Å; F138-Y144 HydrophobicContact CE1-CD2 3.66Å; F138-Y144 HydrophobicContact CE1-CE2 4.18Å; F138-Y144 HydrophobicContact CE1-CG 4.44Å; F138-Y144 AromaticContact CZ-CD2 3.56Å; F138-Y144 HydrophobicContact CZ-CD2 3.56Å; F138-Y144 AromaticContact CZ-CE2 3.57Å; F138-Y144 HydrophobicContact CZ-CE2 3.57Å; F138-A160 HydrophobicContact CB-CB 4.22Å
139D86.6Confident85.8Confident47 Ų4748 Ų4825%0.25125%0.246SC..  trans-91.8106.9-177.4-174.8-3.7000112.1D141 K142D139-D141 VanDerWaalsContact C-N 3.34Å; D139-D141 PolarHBondContact O-N 2.67Å; D139-D141 WeakPolarHBondContact OD1-CB 3.42Å; D139-D141 PolarHBondContact OD1-N 3.22Å; D139-K142 HydrophobicContact CB-CD 4.07Å; D139-K142 HydrophobicContact CB-CG 4.13Å; D139-K142 WeakPolarHBondContact OD2-CE 3.42Å
140Y86.8Confident85.2Confident21 Ų2153.5 Ų53.58%0.08228%0.275CS..G310 helixtrans-67.4-29.4178.2-73.3-84000114L130 P132 F138 K142 F143 Y144 R145 F148 I153 A157 P158L130-Y140 HydrophobicContact CD2-CD1 3.95Å; L130-Y140 HydrophobicContact CD2-CE1 3.43Å; L130-Y140 VanDerWaalsContact CD2-CE1 3.43Å; L130-Y140 HydrophobicContact CG-CE1 4.47Å; P132-Y140 WeakPolarHBondContact CG-OH 3.3Å; F138-Y140 HydrophobicContact CD1-CD2 4.42Å; F138-Y140 HydrophobicContact CD1-CE1 4.42Å; F138-Y140 HydrophobicContact CD1-CE2 4.31Å; F138-Y140 HydrophobicContact CE1-CD1 4.39Å; F138-Y140 HydrophobicContact CE1-CE1 4.37Å; Y140-K142 PolarHBondContact O-N 3.12Å; Y140-F143 PolarHBondContact O-N 3.44Å; Y140-Y144 PolarHBondContact O-N 3.3Å; Y140-Y144 VanDerWaalsContact O-N 3.12Å; Y140-R145 PolarHBondContact O-N 3.48Å; Y140-F148 AromaticContact CD1-CE2 3.51Å; Y140-F148 HydrophobicContact CD1-CE2 3.51Å; Y140-F148 AromaticContact CD1-CZ 3.81Å; Y140-F148 HydrophobicContact CD1-CZ 3.81Å; Y140-F148 AromaticContact CE1-CE2 3.83Å; Y140-F148 HydrophobicContact CE1-CE2 3.83Å; Y140-F148 AromaticContact CE1-CZ 3.6Å; Y140-F148 HydrophobicContact CE1-CZ 3.6Å; Y140-F148 HydrophobicContact CG-CE2 4.09Å; Y140-I153 HydrophobicContact CD2-CG2 4.46Å; Y140-A157 HydrophobicContact CE2-CB 4.11Å; Y140-P158 WeakPolarHBondContact OH-CD 3.45Å; Y140-P158 WeakPolarHBondContact OH-CG 3Å; Y140-P158 PolarHBondContact OH-O 3.27Å
141D86.5Confident84.3Confident92 Ų9255.6 Ų55.649%0.49229%0.287SS..G310 helixtrans-68.9-22.6-175.5-83.9-48.8000112D139 F143 R145D139-D141 VanDerWaalsContact C-N 3.34Å; D139-D141 PolarHBondContact O-N 2.67Å; D139-D141 WeakPolarHBondContact OD1-CB 3.42Å; D139-D141 PolarHBondContact OD1-N 3.22Å; D141-F143 PolarHBondContact O-N 3.22Å; D141-R145 WeakPolarHBondContact OD1-CD 3.32Å; D141-R145 IonicContact OD1-CZ 3.29Å; D141-R145 IonicContact OD1-NH1 3.02Å; D141-R145 PolarHBondContact OD1-NH1 3.2Å; D141-R145 VanDerWaalsContact OD1-NH1 3.14Å
142K86.2Confident83.7Confident74 Ų7461.9 Ų61.932%0.32232%0.316SS..G310 helixtrans-64.4-39.3178.1-69.5-178.2-171.5171.20113.1D101 E102 K111 D139 Y140D101-K142 HydrophobicContact CB-CD 4.33Å; D101-K142 IonicContact OD1-NZ 3.88Å; D101-K142 WeakPolarHBondContact OD2-CD 3.35Å; D101-K142 WeakPolarHBondContact OD2-CE 3.32Å; D101-K142 IonicContact OD2-NZ 3.14Å; D101-K142 PolarHBondContact OD2-NZ 3.47Å; E102-K142 HydrophobicContact CB-CB 4.44Å; E102-K142 HydrophobicContact CB-CD 4.28Å; K111-K142 WeakPolarHBondContact CE-O 3.15Å; K111-K142 PolarHBondContact NZ-O 3.41Å; D139-K142 HydrophobicContact CB-CD 4.07Å; D139-K142 HydrophobicContact CB-CG 4.13Å; D139-K142 WeakPolarHBondContact OD2-CE 3.42Å; Y140-K142 PolarHBondContact O-N 3.12Å
143F88.1Confident83.1Confident7 Ų764.8 Ų64.83%0.03133%0.331CS..THydrogen-bonded Turntrans-152.3-43.8-178.4-179.8-100.4000114I71 P103 K111 I115 I118 Y140 D141 R145I71-F143 HydrophobicContact CB-CZ 4.49Å; I71-F143 HydrophobicContact CG1-CE1 4.03Å; I71-F143 HydrophobicContact CG1-CZ 4.07Å; I71-F143 HydrophobicContact CG2-CE1 4.35Å; I71-F143 HydrophobicContact CG2-CE2 4.15Å; I71-F143 HydrophobicContact CG2-CZ 3.61Å; P103-F143 HydrophobicContact CG-CD1 3.77Å; P103-F143 HydrophobicContact CG-CD2 4.38Å; P103-F143 HydrophobicContact CG-CE1 3.98Å; P103-F143 HydrophobicContact CG-CG 4.01Å; P103-F143 HydrophobicContact CG-CZ 4.4Å; K111-F143 HydrophobicContact CG-CD2 3.97Å; K111-F143 HydrophobicContact CG-CE2 4.33Å; I115-F143 HydrophobicContact CG1-CD2 4.47Å; I115-F143 HydrophobicContact CG1-CE2 4.1Å; I118-F143 HydrophobicContact CD1-CE1 4Å; I118-F143 HydrophobicContact CD1-CZ 4.17Å; Y140-F143 PolarHBondContact O-N 3.44Å; D141-F143 PolarHBondContact O-N 3.22Å; F143-R145 VanDerWaalsContact C-N 3.35Å; F143-R145 PolarHBondContact O-N 3.01Å
144Y89.5Confident82.4Confident1 Ų164.8 Ų64.80%0.00433%0.332CS..G310 helixtrans-83.1-2.9-164.3-67.7-71.5000115.6L96 T98 C100 L130 F138 Y140 V146 I147L96-Y144 HydrophobicContact CD2-CD1 4.44Å; L96-Y144 HydrophobicContact CD2-CE1 3.52Å; T98-Y144 HydrophobicContact CG2-CE2 4.48Å; C100-Y144 WeakPolarHBondContact O-CE2 3.46Å; L130-Y144 HydrophobicContact CD1-CD1 4.24Å; L130-Y144 HydrophobicContact CD1-CE1 4.16Å; L130-Y144 HydrophobicContact CD1-CG 4.49Å; L130-Y144 HydrophobicContact CD2-CD1 4.04Å; L130-Y144 HydrophobicContact CD2-CD2 3.93Å; L130-Y144 HydrophobicContact CD2-CG 3.6Å; F138-Y144 AromaticContact CE1-CD2 3.66Å; F138-Y144 HydrophobicContact CE1-CD2 3.66Å; F138-Y144 HydrophobicContact CE1-CE2 4.18Å; F138-Y144 HydrophobicContact CE1-CG 4.44Å; F138-Y144 AromaticContact CZ-CD2 3.56Å; F138-Y144 HydrophobicContact CZ-CD2 3.56Å; F138-Y144 AromaticContact CZ-CE2 3.57Å; F138-Y144 HydrophobicContact CZ-CE2 3.57Å; Y140-Y144 PolarHBondContact O-N 3.3Å; Y140-Y144 VanDerWaalsContact O-N 3.12Å; Y144-V146 PolarHBondContact O-N 2.88Å; Y144-I147 HydrophobicContact CD1-CD1 3.57Å; Y144-I147 HydrophobicContact CD1-CG1 4.46Å; Y144-I147 HydrophobicContact CE1-CD1 4.44Å; Y144-I147 HydrophobicContact CG-CD1 4.3Å; Y144-I147 VanDerWaalsContact O-CB 3.24Å; Y144-I147 WeakPolarHBondContact O-CB 3.49Å; Y144-I147 WeakPolarHBondContact O-CG1 3.43Å; Y144-I147 PolarHBondContact O-N 3Å
145R88.2Confident81.7Confident108 Ų10872.6 Ų72.641%0.40837%0.37SS..G310 helixtrans-48.8-34175-177172.5172.1149.210.2114.3Y140 D141 F143 I147 F148 D151 I153Y140-R145 PolarHBondContact O-N 3.48Å; D141-R145 WeakPolarHBondContact OD1-CD 3.32Å; D141-R145 IonicContact OD1-CZ 3.29Å; D141-R145 IonicContact OD1-NH1 3.02Å; D141-R145 PolarHBondContact OD1-NH1 3.2Å; D141-R145 VanDerWaalsContact OD1-NH1 3.14Å; F143-R145 VanDerWaalsContact C-N 3.35Å; F143-R145 PolarHBondContact O-N 3.01Å; R145-I147 PolarHBondContact O-N 3.01Å; R145-I147 VanDerWaalsContact O-N 3.14Å; R145-F148 PolarHBondContact O-N 3.36Å; R145-D151 HydrophobicContact CG-CB 4.31Å; R145-D151 WeakPolarHBondContact CG-O 3.46Å; R145-D151 PolarHBondContact NE-O 3.43Å; R145-D151 PolarHBondContact NH2-O 3.02Å; R145-I153 HydrophobicContact CG-CG1 4.44Å
146V87.3Confident81.4Confident7 Ų769.8 Ų69.84%0.04236%0.355CS..G310 helixtrans-64.4-14.7177.665.70000114.1I115 I118 R119 K122 Y144 F148 D151I115-V146 HydrophobicContact CB-CG1 4.47Å; I115-V146 HydrophobicContact CG1-CG1 4.18Å; I115-V146 HydrophobicContact CG2-CB 4.13Å; I115-V146 HydrophobicContact CG2-CG1 4.25Å; I115-V146 HydrophobicContact CG2-CG2 3.88Å; I118-V146 HydrophobicContact CB-CG1 4.14Å; I118-V146 HydrophobicContact CD1-CG1 3.65Å; I118-V146 HydrophobicContact CG2-CG1 4.04Å; I118-V146 HydrophobicContact CG2-CG2 4.4Å; R119-V146 HydrophobicContact CG-CG2 3.71Å; K122-V146 WeakPolarHBondContact CE-O 3.39Å; K122-V146 PolarHBondContact NZ-O 2.97Å; Y144-V146 PolarHBondContact O-N 2.88Å; V146-F148 VanDerWaalsContact C-N 3.34Å; V146-D151 WeakPolarHBondContact CA-OD1 3.38Å
147I85.8Confident81.4Confident18 Ų1867.5 Ų67.59%0.09234%0.34CS..G310 helixtrans-68.6-35.3176.9-70-178.4000111.2I118 K122 V128 L130 Y144 R145I118-I147 HydrophobicContact CG2-CG1 4.41Å; K122-I147 WeakPolarHBondContact CE-O 3.35Å; K122-I147 PolarHBondContact NZ-O 2.76Å; V128-I147 HydrophobicContact CB-CD1 4.41Å; V128-I147 HydrophobicContact CB-CG1 4.35Å; V128-I147 HydrophobicContact CG1-CD1 3.78Å; V128-I147 HydrophobicContact CG1-CG1 4.21Å; V128-I147 WeakPolarHBondContact O-CG2 3.39Å; L130-I147 HydrophobicContact CB-CD1 3.86Å; Y144-I147 HydrophobicContact CD1-CD1 3.57Å; Y144-I147 HydrophobicContact CD1-CG1 4.46Å; Y144-I147 HydrophobicContact CE1-CD1 4.44Å; Y144-I147 HydrophobicContact CG-CD1 4.3Å; Y144-I147 VanDerWaalsContact O-CB 3.24Å; Y144-I147 WeakPolarHBondContact O-CB 3.49Å; Y144-I147 WeakPolarHBondContact O-CG1 3.43Å; Y144-I147 PolarHBondContact O-N 3Å; R145-I147 PolarHBondContact O-N 3.01Å; R145-I147 VanDerWaalsContact O-N 3.14Å
148F83.1Confident81.2Confident29 Ų2961.2 Ų61.213%0.12731%0.314CS..SBendtrans-78.1154.7-179-56.2-68.1000112.1K122 Y140 R145 V146 D151 E152 I153 P154 A157K122-F148 PolarHBondContact NZ-O 3.39Å; Y140-F148 AromaticContact CD1-CE2 3.51Å; Y140-F148 HydrophobicContact CD1-CE2 3.51Å; Y140-F148 AromaticContact CD1-CZ 3.81Å; Y140-F148 HydrophobicContact CD1-CZ 3.81Å; Y140-F148 AromaticContact CE1-CE2 3.83Å; Y140-F148 HydrophobicContact CE1-CE2 3.83Å; Y140-F148 AromaticContact CE1-CZ 3.6Å; Y140-F148 HydrophobicContact CE1-CZ 3.6Å; Y140-F148 HydrophobicContact CG-CE2 4.09Å; R145-F148 PolarHBondContact O-N 3.36Å; V146-F148 VanDerWaalsContact C-N 3.34Å; F148-D151 PolarHBondContact O-N 2.93Å; F148-E152 WeakPolarHBondContact CB-O 3.4Å; F148-I153 HydrophobicContact CD2-CB 4.37Å; F148-I153 HydrophobicContact CD2-CG1 4.03Å; F148-I153 HydrophobicContact CE2-CB 4.33Å; F148-I153 HydrophobicContact CE2-CG1 4.04Å; F148-I153 HydrophobicContact CE2-CG2 4.05Å; F148-I153 HydrophobicContact CZ-CG2 4.46Å; F148-P154 HydrophobicContact CD1-CG 3.77Å; F148-P154 HydrophobicContact CE1-CG 4.2Å; F148-P154 VanDerWaalsContact CG-CD 3.5Å; F148-P154 HydrophobicContact CG-CG 4.3Å; F148-A157 HydrophobicContact CE1-CB 4.31Å; F148-A157 HydrophobicContact CZ-CB 3.87Å
149D73.6Confident81Confident125 Ų12567 Ų6767%0.66834%0.339SS*.G310 helixtrans-68.9145.5173.1-68.2-27.6000109.2K122 D151 E152K122-D149 IonicContact NZ-OD1 2.71Å; D149-D151 PolarHBondContact O-N 3.08Å; D149-D151 VanDerWaalsContact O-N 3.08Å; D149-E152 PolarHBondContact O-N 3.19Å
150D73.4Confident81Confident149 Ų14966.1 Ų66.180%0.79734%0.338SS*.G310 helixtrans58.813-173-60.3-36.3000116.3E152D150-E152 PolarHBondContact O-N 3.49Å
151D72.4Confident80.9Confident52 Ų5265.9 Ų65.928%0.27834%0.339SS..G310 helixtrans52.334.7-172.5-62.8-23.5000110.5R119 R145 V146 F148 D149R119-D151 IonicContact NH2-OD2 4Å; R119-D151 PolarHBondContact NH2-OD2 2.98Å; R145-D151 HydrophobicContact CG-CB 4.31Å; R145-D151 WeakPolarHBondContact CG-O 3.46Å; R145-D151 PolarHBondContact NE-O 3.43Å; R145-D151 PolarHBondContact NH2-O 3.02Å; V146-D151 WeakPolarHBondContact CA-OD1 3.38Å; F148-D151 PolarHBondContact O-N 2.93Å; D149-D151 PolarHBondContact O-N 3.08Å; D149-D151 VanDerWaalsContact O-N 3.08Å
152E75.6Confident80.8Confident134 Ų13467.1 Ų67.163%0.62634%0.342SS*.  trans-113.4130.2175-69.3-170.917200109.9F148 D149 D150 P154F148-E152 WeakPolarHBondContact CB-O 3.4Å; D149-E152 PolarHBondContact O-N 3.19Å; D150-E152 PolarHBondContact O-N 3.49Å; E152-P154 VanDerWaalsContact O-CD 3.23Å; E152-P154 WeakPolarHBondContact O-CD 3.3Å
153I76.8Confident80.8Confident60 Ų6067.3 Ų67.331%0.30835%0.346SS..  trans-77.4117.5-179.5-59159.5000107.8Y140 R145 F148 A157Y140-I153 HydrophobicContact CD2-CG2 4.46Å; R145-I153 HydrophobicContact CG-CG1 4.44Å; F148-I153 HydrophobicContact CD2-CB 4.37Å; F148-I153 HydrophobicContact CD2-CG1 4.03Å; F148-I153 HydrophobicContact CE2-CB 4.33Å; F148-I153 HydrophobicContact CE2-CG1 4.04Å; F148-I153 HydrophobicContact CE2-CG2 4.05Å; F148-I153 HydrophobicContact CZ-CG2 4.46Å; I153-A157 HydrophobicContact CG2-CB 3.78Å
154P76.3Confident80.6Confident49 Ų4970.6 Ų70.632%0.31837%0.37SS..  trans-65.5150176.2-21.735.4000111.6F148 E152 D156 A157F148-P154 HydrophobicContact CD1-CG 3.77Å; F148-P154 HydrophobicContact CE1-CG 4.2Å; F148-P154 VanDerWaalsContact CG-CD 3.5Å; F148-P154 HydrophobicContact CG-CG 4.3Å; E152-P154 VanDerWaalsContact O-CD 3.23Å; E152-P154 WeakPolarHBondContact O-CD 3.3Å; P154-D156 WeakPolarHBondContact CB-OD1 3.27Å; P154-D156 PolarHBondContact O-N 3.42Å; P154-D156 VanDerWaalsContact O-N 3.17Å; P154-A157 VanDerWaalsContact O-CB 3.3Å; P154-A157 WeakPolarHBondContact O-CB 3.37Å; P154-A157 PolarHBondContact O-N 3.13Å
155D71.7Confident80.3Confident177 Ų17774.3 Ų74.395%0.94739%0.39SS*.THydrogen-bonded Turntrans-59.9-25.2174.6-70.5-28.8000112.3
156D70.9Confident80Confident72 Ų7272.7 Ų72.739%0.38539%0.387SS..THydrogen-bonded Turntrans-93.316.8177.973.3-35.1000113.8P154 R177P154-D156 WeakPolarHBondContact CB-OD1 3.27Å; P154-D156 PolarHBondContact O-N 3.42Å; P154-D156 VanDerWaalsContact O-N 3.17Å; D156-R177 IonicContact OD2-NH2 2.75Å
157A78.7Confident79.9Confident18 Ų1873.4 Ų73.415%0.14939%0.391CS..PPolyproline II helixtrans-57.8137.6176.400000111.6Y140 F148 I153 P154 K159Y140-A157 HydrophobicContact CE2-CB 4.11Å; F148-A157 HydrophobicContact CE1-CB 4.31Å; F148-A157 HydrophobicContact CZ-CB 3.87Å; I153-A157 HydrophobicContact CG2-CB 3.78Å; P154-A157 VanDerWaalsContact O-CB 3.3Å; P154-A157 WeakPolarHBondContact O-CB 3.37Å; P154-A157 PolarHBondContact O-N 3.13Å; A157-K159 PolarHBondContact O-N 2.84Å
158P79.9Confident79.8Confident32 Ų3278.7 Ų78.721%0.20841%0.413CS..PPolyproline II helixtrans-63.2134.2-173.820.2-27000111.5L130 Y140L130-P158 WeakPolarHBondContact O-CG 3.37Å; Y140-P158 WeakPolarHBondContact OH-CD 3.45Å; Y140-P158 WeakPolarHBondContact OH-CG 3Å; Y140-P158 PolarHBondContact OH-O 3.27Å
159K83.5Confident79.6Confident135 Ų13581.6 Ų81.659%0.58743%0.43SS*.PPolyproline II helixtrans-86153176.7-65.8172.8-175.6160.10110.3A157 T161 R170 T349A157-K159 PolarHBondContact O-N 2.84Å; K159-T161 PolarHBondContact O-N 3.27Å; K159-R170 PolarHBondContact O-NH1 3.49Å; K159-R170 PolarHBondContact O-NH2 3.11Å; K159-T349 PolarHBondContact NZ-O 3.41Å
160A86.4Confident80Confident28 Ų2877.5 Ų77.523%0.23141%0.405CS..PPolyproline II helixtrans-58136.3169.600000110.1P132 G134 S136 F138P132-A160 HydrophobicContact CB-CB 4.04Å; G134-A160 CarbonylContact O-C 3.47Å; G134-A160 VanDerWaalsContact O-C 3.31Å; G134-A160 WeakPolarHBondContact O-CB 3.41Å; S136-A160 VanDerWaalsContact O-CB 3.3Å; S136-A160 WeakPolarHBondContact O-CB 3.3Å; F138-A160 HydrophobicContact CB-CB 4.22Å
161T85.4Confident80.4Confident16 Ų1672.1 Ų72.110%0.09838%0.378CS..BIsolated β-bridgetrans-143.8146.5177.3-170.20000109.4G134 K159 D163 E166 L167G134-T161 PolarHBondContact N-O 3.25Å; G134-T161 VanDerWaalsContact N-O 3.13Å; G134-T161 CarbonylContact O-C 3.54Å; G134-T161 PolarHBondContact O-N 3.02Å; K159-T161 PolarHBondContact O-N 3.27Å; T161-D163 PolarHBondContact OG1-N 3.43Å; T161-E166 VanDerWaalsContact CB-OE2 3.23Å; T161-E166 WeakPolarHBondContact CB-OE2 3.48Å; T161-E166 HydrophobicContact CG2-CB 4.22Å; T161-E166 HydrophobicContact CG2-CG 4.33Å; T161-E166 PolarHBondContact OG1-OE2 2.97Å; T161-L167 HydrophobicContact CG2-CD2 3.63Å; T161-L167 HydrophobicContact CG2-CG 3.71Å
162E84.8Confident80.5Confident119 Ų11972.5 Ų72.556%0.55638%0.379SS*.  trans-92.3-13.6169.9-61.3-175.2150.700111.2D135 S164D135-E162 HydrophobicContact CB-CG 4.45Å; D135-E162 WeakPolarHBondContact CB-OE1 3.45Å; E162-S164 PolarHBondContact O-N 3.32Å
163D85.1Confident80.3Confident77 Ų7770 Ų7041%0.41237%0.373SS..  trans-74111.4-177.1-1768.2000111T161 D165 E166 L167T161-D163 PolarHBondContact OG1-N 3.43Å; D163-D165 VanDerWaalsContact C-N 3.25Å; D163-D165 PolarHBondContact O-N 3.36Å; D163-D165 PolarHBondContact OD1-N 3.47Å; D163-E166 HydrophobicContact CB-CB 3.87Å; D163-E166 PolarHBondContact O-N 3.09Å; D163-L167 PolarHBondContact O-N 3.09Å
164S84Confident79.9Confident76 Ų7668.6 Ų68.653%0.53137%0.366SS..Hα-helixtrans-60.5-34.6176.359.80000112.8E162 L167 F168E162-S164 PolarHBondContact O-N 3.32Å; S164-L167 PolarHBondContact O-N 2.78Å; S164-F168 VanDerWaalsContact O-CB 3.28Å; S164-F168 WeakPolarHBondContact O-CB 3.49Å; S164-F168 PolarHBondContact O-N 2.91Å
165D82.4Confident79.3Confident80 Ų8072.7 Ų72.743%0.42838%0.376SS..Hα-helixtrans-71.5-37.5-179.3-71.1-27.9000109.7R3 D163 F168 N169R3-D165 IonicContact NH1-OD2 3.99Å; D163-D165 VanDerWaalsContact C-N 3.25Å; D163-D165 PolarHBondContact O-N 3.36Å; D163-D165 PolarHBondContact OD1-N 3.47Å; D165-F168 PolarHBondContact O-N 2.9Å; D165-N169 VanDerWaalsContact O-CB 3.28Å; D165-N169 WeakPolarHBondContact O-CB 3.28Å; D165-N169 PolarHBondContact O-N 3.02Å; D165-N169 PolarHBondContact O-ND2 3.44Å
166E82.6Confident78.8Confident73 Ų7369.4 Ų69.434%0.34136%0.359SS..Hα-helixtrans-63.7-47.7172.5-166.2-173.5168.700111.9T161 D163 F168 N169 R170T161-E166 VanDerWaalsContact CB-OE2 3.23Å; T161-E166 WeakPolarHBondContact CB-OE2 3.48Å; T161-E166 HydrophobicContact CG2-CB 4.22Å; T161-E166 HydrophobicContact CG2-CG 4.33Å; T161-E166 PolarHBondContact OG1-OE2 2.97Å; D163-E166 HydrophobicContact CB-CB 3.87Å; D163-E166 PolarHBondContact O-N 3.09Å; E166-F168 VanDerWaalsContact C-N 3.32Å; E166-F168 PolarHBondContact O-N 3.34Å; E166-N169 PolarHBondContact O-N 3.49Å; E166-R170 VanDerWaalsContact O-CG 3.29Å; E166-R170 WeakPolarHBondContact O-CG 3.22Å; E166-R170 PolarHBondContact O-N 3.3Å; E166-R170 IonicContact OE1-CZ 3.84Å; E166-R170 VanDerWaalsContact OE1-CZ 3.3Å; E166-R170 IonicContact OE1-NE 3.56Å; E166-R170 PolarHBondContact OE1-NE 3.44Å; E166-R170 IonicContact OE1-NH2 3.79Å; E166-R170 PolarHBondContact OE1-NH2 2.59Å; E166-R170 IonicContact OE2-NH2 3.92Å
167L84.6Confident78Confident22 Ų2271.9 Ų71.912%0.11536%0.363CS..Hα-helixtrans-58.5-44.8175.9-70.6173.9000111.6Q131 V133 T161 D163 S164 R170 V171Q131-L167 HydrophobicContact CB-CD2 4.36Å; V133-L167 HydrophobicContact CG1-CD1 4.49Å; V133-L167 HydrophobicContact CG2-CD1 4.04Å; V133-L167 HydrophobicContact CG2-CD2 4.46Å; T161-L167 HydrophobicContact CG2-CD2 3.63Å; T161-L167 HydrophobicContact CG2-CG 3.71Å; D163-L167 PolarHBondContact O-N 3.09Å; S164-L167 PolarHBondContact O-N 2.78Å; L167-R170 PolarHBondContact O-N 3.03Å; L167-V171 VanDerWaalsContact O-CG2 3.3Å; L167-V171 WeakPolarHBondContact O-CG2 3.37Å; L167-V171 PolarHBondContact O-N 3.29Å
168F84.5Confident77.1Confident129 Ų12974.1 Ų74.157%0.56637%0.369SS*.Hα-helixtrans-62.6-44.9177.4-175.4-111.6000111.6S164 D165 E166 R170 V171 I172S164-F168 VanDerWaalsContact O-CB 3.28Å; S164-F168 WeakPolarHBondContact O-CB 3.49Å; S164-F168 PolarHBondContact O-N 2.91Å; D165-F168 PolarHBondContact O-N 2.9Å; E166-F168 VanDerWaalsContact C-N 3.32Å; E166-F168 PolarHBondContact O-N 3.34Å; F168-R170 VanDerWaalsContact C-N 3.34Å; F168-R170 PolarHBondContact O-N 3.25Å; F168-V171 PolarHBondContact O-N 3.07Å; F168-I172 HydrophobicContact CD1-CD1 3.57Å; F168-I172 HydrophobicContact CD1-CG1 4.44Å; F168-I172 HydrophobicContact CE1-CD1 3.13Å; F168-I172 HydrophobicContact CE1-CG1 4.22Å; F168-I172 HydrophobicContact CE2-CD1 4.14Å; F168-I172 HydrophobicContact CE2-CG1 4.49Å; F168-I172 HydrophobicContact CG-CD1 4.26Å; F168-I172 HydrophobicContact CZ-CD1 3.46Å; F168-I172 VanDerWaalsContact CZ-CD1 3.46Å; F168-I172 HydrophobicContact CZ-CG1 4.24Å; F168-I172 WeakPolarHBondContact O-CG1 3.45Å; F168-I172 PolarHBondContact O-N 3.2Å
169N79.9Confident76.5Confident91 Ų9180.6 Ų80.649%0.48739%0.389SS..Hα-helixtrans-60.6-41.6175.6-75.8-33.6000111.6D165 E166 V171 I172 V173D165-N169 VanDerWaalsContact O-CB 3.28Å; D165-N169 WeakPolarHBondContact O-CB 3.28Å; D165-N169 PolarHBondContact O-N 3.02Å; D165-N169 PolarHBondContact O-ND2 3.44Å; E166-N169 PolarHBondContact O-N 3.49Å; N169-V171 PolarHBondContact O-N 3.25Å; N169-I172 PolarHBondContact O-N 3.35Å; N169-V173 VanDerWaalsContact O-CB 3.29Å; N169-V173 WeakPolarHBondContact O-CB 3.46Å; N169-V173 WeakPolarHBondContact O-CG2 3.29Å; N169-V173 PolarHBondContact O-N 2.86Å
170R81.3Confident76.1Confident39 Ų3983.7 Ų83.715%0.14740%0.397CS..Hα-helixtrans-62-43.1175.7-71169.8-178.1-170.11.9112.2K159 E166 L167 F168 V173 N174K159-R170 PolarHBondContact O-NH1 3.49Å; K159-R170 PolarHBondContact O-NH2 3.11Å; E166-R170 VanDerWaalsContact O-CG 3.29Å; E166-R170 WeakPolarHBondContact O-CG 3.22Å; E166-R170 PolarHBondContact O-N 3.3Å; E166-R170 IonicContact OE1-CZ 3.84Å; E166-R170 VanDerWaalsContact OE1-CZ 3.3Å; E166-R170 IonicContact OE1-NE 3.56Å; E166-R170 PolarHBondContact OE1-NE 3.44Å; E166-R170 IonicContact OE1-NH2 3.79Å; E166-R170 PolarHBondContact OE1-NH2 2.59Å; E166-R170 IonicContact OE2-NH2 3.92Å; L167-R170 PolarHBondContact O-N 3.03Å; F168-R170 VanDerWaalsContact C-N 3.34Å; F168-R170 PolarHBondContact O-N 3.25Å; R170-V173 PolarHBondContact O-N 3.25Å; R170-N174 VanDerWaalsContact O-CB 3.28Å; R170-N174 WeakPolarHBondContact O-CB 3.31Å; R170-N174 PolarHBondContact O-N 2.86Å; R170-N174 PolarHBondContact O-ND2 3.12Å
171V80.8Confident76Confident35 Ų3585.2 Ų85.221%0.21240%0.404CS..Hα-helixtrans-64.5-44.4177.1175.20000110.7F95 F97 Q131 L167 F168 N169 N174 Y175F95-V171 HydrophobicContact CD1-CG1 4.46Å; F95-V171 HydrophobicContact CD1-CG2 4.23Å; F95-V171 HydrophobicContact CE1-CG1 4.24Å; F95-V171 HydrophobicContact CE1-CG2 4.45Å; F95-V171 HydrophobicContact CE2-CG1 4.41Å; F95-V171 HydrophobicContact CZ-CG1 4.21Å; F97-V171 HydrophobicContact CE1-CG2 3.91Å; F97-V171 HydrophobicContact CZ-CG2 3.61Å; Q131-V171 HydrophobicContact CG-CG2 4.46Å; L167-V171 VanDerWaalsContact O-CG2 3.3Å; L167-V171 WeakPolarHBondContact O-CG2 3.37Å; L167-V171 PolarHBondContact O-N 3.29Å; F168-V171 PolarHBondContact O-N 3.07Å; N169-V171 PolarHBondContact O-N 3.25Å; V171-N174 PolarHBondContact O-N 3.42Å; V171-Y175 WeakPolarHBondContact O-CB 3.23Å; V171-Y175 PolarHBondContact O-N 3.47Å
172I76.3Confident76Confident61 Ų6188.8 Ų88.831%0.31342%0.418SS..Hα-helixtrans-61.9-49.9175.8-71.8176.1000110.6F168 N169 N174 Y175 D176F168-I172 HydrophobicContact CD1-CD1 3.57Å; F168-I172 HydrophobicContact CD1-CG1 4.44Å; F168-I172 HydrophobicContact CE1-CD1 3.13Å; F168-I172 HydrophobicContact CE1-CG1 4.22Å; F168-I172 HydrophobicContact CE2-CD1 4.14Å; F168-I172 HydrophobicContact CE2-CG1 4.49Å; F168-I172 HydrophobicContact CG-CD1 4.26Å; F168-I172 HydrophobicContact CZ-CD1 3.46Å; F168-I172 VanDerWaalsContact CZ-CD1 3.46Å; F168-I172 HydrophobicContact CZ-CG1 4.24Å; F168-I172 WeakPolarHBondContact O-CG1 3.45Å; F168-I172 PolarHBondContact O-N 3.2Å; N169-I172 PolarHBondContact O-N 3.35Å; I172-N174 VanDerWaalsContact C-N 3.32Å; I172-N174 PolarHBondContact O-N 3.02Å; I172-Y175 CarbonylContact O-C 3.56Å; I172-Y175 WeakPolarHBondContact O-CB 3.33Å; I172-Y175 PolarHBondContact O-N 3.01Å; I172-Y175 VanDerWaalsContact O-N 3.11Å; I172-D176 WeakPolarHBondContact O-CB 3.45Å; I172-D176 PolarHBondContact O-N 2.69Å
173V71.2Confident76.3Confident82 Ų8284.9 Ų84.950%0.49740%0.403SS..Hα-helixtrans-61.2-42.3-179.3169.90000110.4N169 R170 D176 R177N169-V173 VanDerWaalsContact O-CB 3.29Å; N169-V173 WeakPolarHBondContact O-CB 3.46Å; N169-V173 WeakPolarHBondContact O-CG2 3.29Å; N169-V173 PolarHBondContact O-N 2.86Å; R170-V173 PolarHBondContact O-N 3.25Å; V173-D176 CarbonylContact O-C 3.59Å; V173-D176 PolarHBondContact O-N 3.26Å; V173-R177 HydrophobicContact CG1-CG 4.37Å; V173-R177 WeakPolarHBondContact O-CA 3.21Å; V173-R177 WeakPolarHBondContact O-CB 3.18Å; V173-R177 VanDerWaalsContact O-CG 3.29Å; V173-R177 WeakPolarHBondContact O-CG 3.35Å; V173-R177 PolarHBondContact O-N 2.84Å
174N67.4Low76.6Confident29 Ų2984 Ų8416%0.15540%0.402CS..Hα-helixtrans-68.3-35.4175-77.6-25.8000112.5F95 R170 V171 I172F95-N174 HydrophobicContact CE1-CB 3.89Å; F95-N174 HydrophobicContact CZ-CB 4.15Å; R170-N174 VanDerWaalsContact O-CB 3.28Å; R170-N174 WeakPolarHBondContact O-CB 3.31Å; R170-N174 PolarHBondContact O-N 2.86Å; R170-N174 PolarHBondContact O-ND2 3.12Å; V171-N174 PolarHBondContact O-N 3.42Å; I172-N174 VanDerWaalsContact C-N 3.32Å; I172-N174 PolarHBondContact O-N 3.02Å
175Y65Low77Confident135 Ų13580.9 Ų80.953%0.52938%0.38SS..Hα-helixtrans-66.3-40.7174.4-174.3-95000112V171 I172 K178V171-Y175 WeakPolarHBondContact O-CB 3.23Å; V171-Y175 PolarHBondContact O-N 3.47Å; I172-Y175 CarbonylContact O-C 3.56Å; I172-Y175 WeakPolarHBondContact O-CB 3.33Å; I172-Y175 PolarHBondContact O-N 3.01Å; I172-Y175 VanDerWaalsContact O-N 3.11Å; Y175-K178 WeakPolarHBondContact O-CD 3.38Å
176D59.6Low77.6Confident109 Ų10980.4 Ų80.458%0.58338%0.377SS*.Hα-helixtrans-83.5-21.3179.9-80.8-12.8000113.6I172 V173 K178I172-D176 WeakPolarHBondContact O-CB 3.45Å; I172-D176 PolarHBondContact O-N 2.69Å; V173-D176 CarbonylContact O-C 3.59Å; V173-D176 PolarHBondContact O-N 3.26Å; D176-K178 CarbonylContact O-C 3.58Å; D176-K178 PolarHBondContact O-N 3.4Å
177R55.2Low78.2Confident124 Ų12476.9 Ų76.947%0.46836%0.361SS..THydrogen-bonded Turntrans-55-12.9172.1-101.6-179.9147.7-178-4.2113D156 V173 W179D156-R177 IonicContact OD2-NH2 2.75Å; V173-R177 HydrophobicContact CG1-CG 4.37Å; V173-R177 WeakPolarHBondContact O-CA 3.21Å; V173-R177 WeakPolarHBondContact O-CB 3.18Å; V173-R177 VanDerWaalsContact O-CG 3.29Å; V173-R177 WeakPolarHBondContact O-CG 3.35Å; V173-R177 PolarHBondContact O-N 2.84Å; R177-W179 PolarHBondContact O-N 2.93Å
178K60.1Low78.8Confident65 Ų6577.4 Ų77.428%0.28336%0.363SS..SBendtrans-68.580.3168.1-64.2169.6-152.3174.40109.2Y91 Y175 D176 R180Y91-K178 HydrophobicContact CD1-CD 3.83Å; Y91-K178 HydrophobicContact CD2-CD 4.28Å; Y91-K178 HydrophobicContact CD2-CG 4.38Å; Y91-K178 HydrophobicContact CE1-CD 4.21Å; Y91-K178 VanDerWaalsContact CE1-NZ 3.26Å; Y91-K178 HydrophobicContact CG-CD 3.81Å; Y91-K178 HydrophobicContact CG-CG 4.4Å; Y175-K178 WeakPolarHBondContact O-CD 3.38Å; D176-K178 CarbonylContact O-C 3.58Å; D176-K178 PolarHBondContact O-N 3.4Å; K178-R180 PolarHBondContact O-N 3.46Å
179W65.4Low79.3Confident167 Ų16772.7 Ų72.763%0.63334%0.343SS*.  trans-52.8111.9179.5-60.8-21.5000110.2R177 T181 Y200R177-W179 PolarHBondContact O-N 2.93Å; W179-T181 PolarHBondContact O-N 2.97Å; W179-Y200 HydrophobicContact CB-CD1 3.88Å; W179-Y200 HydrophobicContact CB-CE1 3.48Å; W179-Y200 VanDerWaalsContact CB-CE1 3.48Å; W179-Y200 HydrophobicContact CG-CE1 4.38Å
180R76.4Confident79.9Confident200 Ų20073.2 Ų73.276%0.75535%0.345SS*.  trans-90104.3173.2-68.6-177.1-172.9162.35.3107.7K178 F182K178-R180 PolarHBondContact O-N 3.46Å; R180-F182 PolarHBondContact O-N 2.6Å
181T84.2Confident80.4Confident60 Ų6077 Ų7737%0.36837%0.374SS..EExtended strand (participates in β ladder)trans-58.2122.7173.6-47.40000109.6W179 F199 Y200W179-T181 PolarHBondContact O-N 2.97Å; T181-F199 CarbonylContact C-O 3.36Å; T181-Y200 HydrophobicContact CG2-CE1 4.45Å; T181-Y200 WeakPolarHBondContact OG1-CE1 3.3Å
182F85.9Confident80.8Confident91 Ų9179.2 Ų79.240%0.39941%0.405SS..EExtended strand (participates in β ladder)trans-65.9-47173.2177.2-97.6000110.3R180 F199 L292R180-F182 PolarHBondContact O-N 2.6Å; F182-F199 WeakPolarHBondContact CB-O 3.39Å; F182-F199 PolarHBondContact N-O 3.16Å; F182-L292 HydrophobicContact CD1-CD1 4.2Å; F182-L292 HydrophobicContact CE1-CD1 4.4Å
183T89.6Confident81.6Confident38 Ų3880.3 Ų80.323%0.23341%0.407CS..EExtended strand (participates in β ladder)trans-165.7148.6168.5-167.90000109.3V185 F199T183-V185 HydrophobicContact CG2-CG1 4.07Å; T183-F199 HydrophobicContact CG2-CD2 3.68Å; T183-F199 HydrophobicContact CG2-CE2 4.4Å; T183-F199 PolarHBondContact O-N 3.24Å
184S91.7Very high82.7Confident57 Ų5779.2 Ų79.240%0.39940%0.397SS..EExtended strand (participates in β ladder)trans-98.4141.9166.5-49.50000108.9V197 S198S184-V197 CarbonylContact C-O 3.59Å; S184-V197 WeakPolarHBondContact CA-O 3.46Å; S184-S198 PolarHBondContact OG-OG 2.84Å
185V93.4Very high84.1Confident11 Ų1178 Ų787%0.06739%0.391CS..EExtended strand (participates in β ladder)trans-142.3158.4176.7-55.60000111.1T183 V197 F199 M271T183-V185 HydrophobicContact CG2-CG1 4.07Å; V185-V197 HydrophobicContact CG2-CG2 3.83Å; V185-V197 PolarHBondContact N-O 2.87Å; V185-V197 WeakPolarHBondContact O-CG2 3.49Å; V185-V197 PolarHBondContact O-N 2.91Å; V185-F199 HydrophobicContact CB-CE2 4.26Å; V185-F199 HydrophobicContact CG1-CD2 4.49Å; V185-F199 HydrophobicContact CG1-CE2 3.96Å; V185-F199 HydrophobicContact CG2-CD2 4.3Å; V185-F199 HydrophobicContact CG2-CE2 3.3Å; V185-F199 HydrophobicContact CG2-CZ 3.71Å; V185-M271 HydrophobicContact CG2-CB 4.24Å
186D94.6Very high85.6Confident70 Ų7071.8 Ų71.837%0.37437%0.367SS..EExtended strand (participates in β ladder)trans-77.4126.9168.5-55.5-34.9000109.7G270 M271D186-G270 WeakPolarHBondContact O-CA 3.29Å; D186-M271 PolarHBondContact O-N 3.36Å
187F96.2Very high87.3Confident0 Ų066.6 Ų66.60%034%0.339CS..EExtended strand (participates in β ladder)trans-100.8101.4174-179.9-158.3000110.2I189 E194 I195 V197 M271 L273 L311 L339F187-I189 HydrophobicContact CD1-CD1 3.74Å; F187-I189 HydrophobicContact CD2-CD1 4.07Å; F187-I189 HydrophobicContact CE1-CD1 3.41Å; F187-I189 VanDerWaalsContact CE1-CD1 3.41Å; F187-I189 HydrophobicContact CE2-CD1 3.78Å; F187-I189 HydrophobicContact CG-CD1 4.06Å; F187-I189 HydrophobicContact CZ-CD1 3.43Å; F187-I189 VanDerWaalsContact CZ-CD1 3.43Å; F187-I189 PolarHBondContact O-N 2.84Å; F187-E194 WeakPolarHBondContact O-CA 3.46Å; F187-I195 HydrophobicContact CB-CG1 3.84Å; F187-I195 HydrophobicContact CD1-CD1 3.77Å; F187-I195 HydrophobicContact CD1-CG1 3.93Å; F187-I195 HydrophobicContact CE1-CD1 4.5Å; F187-I195 HydrophobicContact CG-CG1 4.26Å; F187-I195 PolarHBondContact N-O 2.67Å; F187-I195 PolarHBondContact O-N 3.47Å; F187-V197 HydrophobicContact CB-CG1 4.1Å; F187-V197 HydrophobicContact CB-CG2 3.87Å; F187-V197 HydrophobicContact CD1-CG1 4.29Å; F187-M271 CarbonylContact C-O 3.59Å; F187-M271 WeakPolarHBondContact CA-O 3.05Å; F187-M271 HydrophobicContact CB-CB 4.44Å; F187-M271 HydrophobicContact CB-CE 4.08Å; F187-M271 HydrophobicContact CD1-CE 3.66Å; F187-M271 HydrophobicContact CD2-CB 3.92Å; F187-M271 HydrophobicContact CD2-CE 3.46Å; F187-M271 VanDerWaalsContact CD2-CE 3.46Å; F187-M271 HydrophobicContact CD2-CG 3.91Å; F187-M271 HydrophobicContact CE1-CE 3.86Å; F187-M271 HydrophobicContact CE2-CE 3.66Å; F187-M271 HydrophobicContact CE2-CG 4.14Å; F187-M271 HydrophobicContact CG-CB 4.46Å; F187-M271 HydrophobicContact CG-CE 3.46Å; F187-M271 VanDerWaalsContact CG-CE 3.46Å; F187-M271 HydrophobicContact CZ-CE 3.85Å; F187-L273 HydrophobicContact CE2-CB 3.85Å; F187-L273 HydrophobicContact CZ-CB 4.23Å; F187-L273 HydrophobicContact CZ-CD1 4.41Å; F187-L311 HydrophobicContact CE1-CD2 4.16Å; F187-L339 HydrophobicContact CE1-CD1 4.23Å; F187-L339 HydrophobicContact CZ-CD1 3.99Å
188Q95.7Very high89.1Confident33 Ų3360.8 Ų60.815%0.15432%0.317CS..EExtended strand (participates in β ladder)trans-81.4112177.7-172.6-177.3-6.300110.8I190 E194 M271 V272 L273Q188-I190 WeakPolarHBondContact CG-O 3.44Å; Q188-E194 HydrophobicContact CB-CG 3.93Å; Q188-E194 HydrophobicContact CG-CG 4.03Å; Q188-M271 PolarHBondContact N-O 2.89Å; Q188-V272 HydrophobicContact CB-CG2 4.33Å; Q188-V272 WeakPolarHBondContact O-CA 3.09Å; Q188-L273 PolarHBondContact O-N 2.96Å
189I95.1Very high90.8Very high29 Ų2957.7 Ų57.715%0.14930%0.304CS..EExtended strand (participates in β ladder)trans-84.3-48.2176.4-53.3-59.8000109.8F187 F193 L273 F307F187-I189 HydrophobicContact CD1-CD1 3.74Å; F187-I189 HydrophobicContact CD2-CD1 4.07Å; F187-I189 HydrophobicContact CE1-CD1 3.41Å; F187-I189 VanDerWaalsContact CE1-CD1 3.41Å; F187-I189 HydrophobicContact CE2-CD1 3.78Å; F187-I189 HydrophobicContact CG-CD1 4.06Å; F187-I189 HydrophobicContact CZ-CD1 3.43Å; F187-I189 VanDerWaalsContact CZ-CD1 3.43Å; F187-I189 PolarHBondContact O-N 2.84Å; I189-F193 HydrophobicContact CB-CD1 3.9Å; I189-F193 HydrophobicContact CB-CE1 4.38Å; I189-F193 HydrophobicContact CG1-CD1 4.06Å; I189-F193 HydrophobicContact CG1-CE1 4.11Å; I189-F193 HydrophobicContact CG2-CD1 4.44Å; I189-F193 PolarHBondContact N-O 3.24Å; I189-F193 VanDerWaalsContact N-O 3.11Å; I189-L273 HydrophobicContact CD1-CD2 4.4Å; I189-L273 HydrophobicContact CG2-CD2 3.84Å; I189-F307 HydrophobicContact CD1-CE1 3.74Å; I189-F307 HydrophobicContact CD1-CZ 4.14Å; I189-F307 HydrophobicContact CG1-CE1 3.71Å; I189-F307 HydrophobicContact CG1-CZ 3.84Å; I189-F307 HydrophobicContact CG2-CZ 4.13Å
190I93.3Very high92Very high103 Ų10351.6 Ų51.653%0.52828%0.281SS..EExtended strand (participates in β ladder)trans-140.2158.6173.655.6173.8000108.6Q188 G192 F193Q188-I190 WeakPolarHBondContact CG-O 3.44Å; I190-G192 PolarHBondContact O-N 3.41Å; I190-G192 VanDerWaalsContact O-N 3.15Å; I190-F193 HydrophobicContact CD1-CB 4.18Å; I190-F193 HydrophobicContact CG1-CB 3.58Å; I190-F193 HydrophobicContact CG1-CD1 4.44Å; I190-F193 HydrophobicContact CG1-CG 4.46Å; I190-F193 PolarHBondContact O-N 2.71Å
191P90.4Very high92.7Very high117 Ų11744.8 Ų44.876%0.7626%0.264SS*.THydrogen-bonded Turntrans-52.3121.6173.4-25.435.4000111.9
192G90.7Very high92.8Very high83 Ų8346.1 Ų46.186%0.85627%0.272SS*.THydrogen-bonded Turntrans89.8-4.6-178.500000115.8I190I190-G192 PolarHBondContact O-N 3.41Å; I190-G192 VanDerWaalsContact O-N 3.15Å
193F93.5Very high92.9Very high84 Ų8446 Ų4637%0.36828%0.279SS..EExtended strand (participates in β ladder)trans-126.3107.7175-175.7-113.6000110.7I189 I190 I195 F307I189-F193 HydrophobicContact CB-CD1 3.9Å; I189-F193 HydrophobicContact CB-CE1 4.38Å; I189-F193 HydrophobicContact CG1-CD1 4.06Å; I189-F193 HydrophobicContact CG1-CE1 4.11Å; I189-F193 HydrophobicContact CG2-CD1 4.44Å; I189-F193 PolarHBondContact N-O 3.24Å; I189-F193 VanDerWaalsContact N-O 3.11Å; I190-F193 HydrophobicContact CD1-CB 4.18Å; I190-F193 HydrophobicContact CG1-CB 3.58Å; I190-F193 HydrophobicContact CG1-CD1 4.44Å; I190-F193 HydrophobicContact CG1-CG 4.46Å; I190-F193 PolarHBondContact O-N 2.71Å; F193-I195 HydrophobicContact CE1-CG2 4.44Å; F193-I195 HydrophobicContact CZ-CG2 4.2Å; F193-F307 HydrophobicContact CE1-CD1 4.46Å; F193-F307 AromaticContact CE1-CD2 3.75Å; F193-F307 HydrophobicContact CE1-CD2 3.75Å; F193-F307 HydrophobicContact CE1-CE1 4.3Å; F193-F307 AromaticContact CE1-CE2 3.57Å; F193-F307 HydrophobicContact CE1-CE2 3.57Å; F193-F307 HydrophobicContact CE1-CG 4.2Å; F193-F307 AromaticContact CE1-CZ 3.86Å; F193-F307 HydrophobicContact CE1-CZ 3.86Å; F193-F307 AromaticContact CZ-CD2 3.75Å; F193-F307 HydrophobicContact CZ-CD2 3.75Å; F193-F307 HydrophobicContact CZ-CE2 4.06Å; F193-F307 HydrophobicContact CZ-CG 4.09Å
194E94.2Very high92.8Very high59 Ų5948.9 Ų48.928%0.27630%0.301SS..EExtended strand (participates in β ladder)trans-129.1135.7-174.4-61.2178.2-172.400109F187 Q188 R268F187-E194 WeakPolarHBondContact O-CA 3.46Å; Q188-E194 HydrophobicContact CB-CG 3.93Å; Q188-E194 HydrophobicContact CG-CG 4.03Å; E194-R268 IonicContact OE1-CZ 3.26Å; E194-R268 IonicContact OE1-NH1 3.54Å; E194-R268 PolarHBondContact OE1-NH1 2.72Å; E194-R268 IonicContact OE1-NH2 2.87Å; E194-R268 PolarHBondContact OE1-NH2 3.29Å; E194-R268 IonicContact OE2-NH1 3.3Å
195I95.7Very high92.7Very high4 Ų451.2 Ų51.22%0.02131%0.312CS..EExtended strand (participates in β ladder)trans-112152.1171.268.2177.2000108.9F187 F193 V197 F307F187-I195 HydrophobicContact CB-CG1 3.84Å; F187-I195 HydrophobicContact CD1-CD1 3.77Å; F187-I195 HydrophobicContact CD1-CG1 3.93Å; F187-I195 HydrophobicContact CE1-CD1 4.5Å; F187-I195 HydrophobicContact CG-CG1 4.26Å; F187-I195 PolarHBondContact N-O 2.67Å; F187-I195 PolarHBondContact O-N 3.47Å; F193-I195 HydrophobicContact CE1-CG2 4.44Å; F193-I195 HydrophobicContact CZ-CG2 4.2Å; I195-V197 HydrophobicContact CD1-CG1 4.14Å; I195-V197 HydrophobicContact CG1-CG1 4.1Å; I195-F307 HydrophobicContact CD1-CD1 3.63Å; I195-F307 HydrophobicContact CD1-CE1 4.08Å; I195-F307 HydrophobicContact CG2-CB 4.31Å; I195-F307 HydrophobicContact CG2-CD1 3.9Å; I195-F307 HydrophobicContact CG2-CG 4.24Å
196A95.8Very high92.6Very high3 Ų353.6 Ų53.63%0.02533%0.333CS..EExtended strand (participates in β ladder)trans-88.6132175.600000110.3D297 V300 S304A196-D297 HydrophobicContact CB-CB 4.13Å; A196-D297 WeakPolarHBondContact CB-O 3.36Å; A196-D297 PolarHBondContact O-N 3.03Å; A196-V300 HydrophobicContact CB-CB 3.66Å; A196-V300 HydrophobicContact CB-CG1 3.94Å; A196-S304 PolarHBondContact N-OG 2.86Å; A196-S304 VanDerWaalsContact N-OG 3.11Å
197V95.3Very high92.4Very high0 Ų055.5 Ų55.50%035%0.347CS..EExtended strand (participates in β ladder)trans-132.3144.7177.4-62.30000111.1S184 V185 F187 I195 F199 M271 M294 C295 F308S184-V197 CarbonylContact C-O 3.59Å; S184-V197 WeakPolarHBondContact CA-O 3.46Å; V185-V197 HydrophobicContact CG2-CG2 3.83Å; V185-V197 PolarHBondContact N-O 2.87Å; V185-V197 WeakPolarHBondContact O-CG2 3.49Å; V185-V197 PolarHBondContact O-N 2.91Å; F187-V197 HydrophobicContact CB-CG1 4.1Å; F187-V197 HydrophobicContact CB-CG2 3.87Å; F187-V197 HydrophobicContact CD1-CG1 4.29Å; I195-V197 HydrophobicContact CD1-CG1 4.14Å; I195-V197 HydrophobicContact CG1-CG1 4.1Å; V197-F199 HydrophobicContact CG2-CZ 4.22Å; V197-M271 HydrophobicContact CG2-CE 4.45Å; V197-M294 HydrophobicContact CB-CG 3.82Å; V197-M294 HydrophobicContact CB-SD 3.86Å; V197-M294 HydrophobicContact CG1-CG 4.22Å; V197-M294 HydrophobicContact CG1-SD 3.88Å; V197-M294 HydrophobicContact CG2-CG 4.2Å; V197-M294 HydrophobicContact CG2-SD 3.81Å; V197-C295 WeakPolarHBondContact CA-O 3.31Å; V197-F308 HydrophobicContact CG1-CD2 4.24Å; V197-F308 HydrophobicContact CG1-CE2 4.42Å
198S94.5Very high92.2Very high2 Ų260.4 Ų60.41%0.01437%0.371CS..EExtended strand (participates in β ladder)trans-109.8135.3176-82.50000109.9S184 M294 C295 D297S184-S198 PolarHBondContact OG-OG 2.84Å; S198-M294 WeakPolarHBondContact O-CA 3.42Å; S198-C295 PolarHBondContact N-O 2.73Å; S198-C295 PolarHBondContact O-N 2.76Å; S198-D297 PolarHBondContact OG-OD2 3.2Å
199F94.2Very high91.9Very high1 Ų163 Ų630%0.00439%0.391CS..EExtended strand (participates in β ladder)trans-100.9141.4173.2-58.4-63.6000111.2T181 F182 T183 V185 V197 M271 L292 F293 M294 L326 V360T181-F199 CarbonylContact C-O 3.36Å; F182-F199 WeakPolarHBondContact CB-O 3.39Å; F182-F199 PolarHBondContact N-O 3.16Å; T183-F199 HydrophobicContact CG2-CD2 3.68Å; T183-F199 HydrophobicContact CG2-CE2 4.4Å; T183-F199 PolarHBondContact O-N 3.24Å; V185-F199 HydrophobicContact CB-CE2 4.26Å; V185-F199 HydrophobicContact CG1-CD2 4.49Å; V185-F199 HydrophobicContact CG1-CE2 3.96Å; V185-F199 HydrophobicContact CG2-CD2 4.3Å; V185-F199 HydrophobicContact CG2-CE2 3.3Å; V185-F199 HydrophobicContact CG2-CZ 3.71Å; V197-F199 HydrophobicContact CG2-CZ 4.22Å; F199-M271 HydrophobicContact CE1-SD 4.39Å; F199-M271 HydrophobicContact CZ-CE 4.38Å; F199-M271 HydrophobicContact CZ-SD 4.03Å; F199-L292 HydrophobicContact CB-CB 4.4Å; F199-L292 HydrophobicContact CB-CD1 4.16Å; F199-L292 HydrophobicContact CG-CD1 4.35Å; F199-F293 CarbonylContact C-O 3.56Å; F199-F293 WeakPolarHBondContact CA-O 3.48Å; F199-M294 HydrophobicContact CD1-CB 3.92Å; F199-M294 HydrophobicContact CD1-CG 4.01Å; F199-M294 HydrophobicContact CE1-CB 4Å; F199-M294 HydrophobicContact CE1-CG 3.8Å; F199-M294 HydrophobicContact CE1-SD 3.87Å; F199-L326 HydrophobicContact CE2-CD1 3.65Å; F199-L326 HydrophobicContact CZ-CD1 3.73Å; F199-V360 HydrophobicContact CD1-CG2 3.83Å; F199-V360 HydrophobicContact CE1-CG2 3.73Å
200Y92.5Very high91.8Very high38 Ų3866.6 Ų66.615%0.14942%0.419CS..EExtended strand (participates in β ladder)trans-124.5146.8177-58.3-81.8000110W179 T181 L292 F293 C295W179-Y200 HydrophobicContact CB-CD1 3.88Å; W179-Y200 HydrophobicContact CB-CE1 3.48Å; W179-Y200 VanDerWaalsContact CB-CE1 3.48Å; W179-Y200 HydrophobicContact CG-CE1 4.38Å; T181-Y200 HydrophobicContact CG2-CE1 4.45Å; T181-Y200 WeakPolarHBondContact OG1-CE1 3.3Å; Y200-L292 CarbonylContact O-C 3.49Å; Y200-L292 WeakPolarHBondContact O-CA 3.39Å; Y200-F293 PolarHBondContact N-O 3.02Å; Y200-F293 PolarHBondContact O-N 3.35Å; Y200-C295 HydrophobicContact CD2-CB 4.44Å; Y200-C295 HydrophobicContact CE2-CB 3.85Å
201S91.1Very high91.7Very high57 Ų5766.5 Ų66.540%0.39943%0.434SS..  trans-99.6102.1174.3-175.50000108.4V203S201-V203 PolarHBondContact OG-O 3.02Å
202T85.8Confident91.8Very high89 Ų8965.9 Ų65.955%0.54642%0.423SS..SBendtrans-73.7-33.1177.950.50000112.1F293T202-F293 HydrophobicContact CG2-CB 3.74Å; T202-F293 HydrophobicContact CG2-CG 4.38Å
203V87.8Confident92Very high88 Ų8868.5 Ų68.553%0.53341%0.411SS..  trans-125.7122.3178.8-176.70000110.1S201 N290S201-V203 PolarHBondContact OG-O 3.02Å; V203-N290 PolarHBondContact O-ND2 2.89Å
204S86.7Confident92.1Very high99 Ų9969 Ų6969%0.69242%0.416SS*.  trans-127146174.3-172.30000110.5A206S204-A206 PolarHBondContact O-N 2.92Å
205V90.5Very high92.1Very high105 Ų10569.2 Ų69.264%0.63642%0.419SS*.  trans-73.6112.6175.6-178.70000108.5T207V205-T207 HydrophobicContact CG1-CG2 4.17Å; V205-T207 PolarHBondContact O-N 3.49Å
206A90.6Very high92.1Very high61 Ų6172.6 Ų72.650%0.50446%0.455SS..  trans-66.9117.1169.200000108.8S204 L414S204-A206 PolarHBondContact O-N 2.92Å; A206-L414 HydrophobicContact CB-CD1 3.51Å
207T91.4Very high92Very high110 Ų11082.8 Ų82.868%0.67549%0.493SS*.  trans-108.1152.3179.151.60000110V205V205-T207 HydrophobicContact CG1-CG2 4.17Å; V205-T207 PolarHBondContact O-N 3.49Å
208M90.4Very high92Very high104 Ų10485.4 Ų85.451%0.51251%0.509SS..PPolyproline II helixtrans-62.2133.2174.3-172179.3-70.300108.8S210 L414 H417M208-S210 PolarHBondContact O-N 2.97Å; M208-L414 HydrophobicContact CB-CD2 4.13Å; M208-H417 HydrophobicContact CE-CB 4.03Å
209P90.8Very high91.8Very high87 Ų8791 Ų9157%0.56554%0.539SS*.PPolyproline II helixtrans-59.5136.9178.324.9-33.6000110.4H417P209-H417 WeakPolarHBondContact CG-NE2 3.21Å
210S91.7Very high91.7Very high105 Ų10596 Ų9673%0.73457%0.566SS**PPolyproline II helixtrans-67.8140.2177.5580000110.9M208 I212M208-S210 PolarHBondContact O-N 2.97Å; S210-I212 PolarHBondContact O-N 3.48Å
211A92.1Very high91.7Very high101 Ų101100.5 Ų100.584%0.83559%0.59SS**PPolyproline II helixtrans-57.3138176.100000112.1
212I93Very high91.9Very high104 Ų104100.9 Ų100.953%0.53359%0.589SS.*PPolyproline II helixtrans-99.1135.3177.4-62.9166.1000108.3S210 L214 M221S210-I212 PolarHBondContact O-N 3.48Å; I212-L214 HydrophobicContact CG2-CD2 4.05Å; I212-M221 HydrophobicContact CB-CE 4.47Å; I212-M221 HydrophobicContact CD1-CE 3.75Å; I212-M221 HydrophobicContact CG1-CE 4.23Å; I212-M221 HydrophobicContact CG2-CB 4.42Å; I212-M221 HydrophobicContact CG2-CE 3.46Å; I212-M221 VanDerWaalsContact CG2-CE 3.46Å; I212-M221 HydrophobicContact CG2-CG 3.73Å; I212-M221 HydrophobicContact CG2-SD 4.33Å
213K94.3Very high92.3Very high138 Ų138102.9 Ų102.960%0.660%0.602SS**PPolyproline II helixtrans-78.7129.7175.6-62.5-172.1-174.9-179.40110V222 V224K213-V222 HydrophobicContact CB-CB 4.28Å; K213-V222 PolarHBondContact O-N 3.33Å; K213-V224 HydrophobicContact CD-CG2 3.79Å
214L95.4Very high92.5Very high93 Ų93103.1 Ų103.149%0.48760%0.603SS.*BIsolated β-bridgetrans-117.7151.5178.5-54.7-180000110.6I212 G216 N220 M221I212-L214 HydrophobicContact CG2-CD2 4.05Å; L214-G216 PolarHBondContact O-N 2.79Å; L214-N220 CarbonylContact C-O 3.6Å; L214-N220 VanDerWaalsContact CA-O 3.32Å; L214-N220 WeakPolarHBondContact CA-O 3.18Å; L214-M221 HydrophobicContact CD2-CB 4.49Å
215D95.2Very high92.8Very high64 Ų64102.3 Ų102.334%0.34260%0.602SS.*  trans-73.4119.4167.1170.220.3000108.9R217 T218 N219 N220 V222D215-R217 PolarHBondContact O-N 3.49Å; D215-R217 PolarHBondContact OD1-N 2.9Å; D215-T218 WeakPolarHBondContact CB-OG1 3.45Å; D215-T218 PolarHBondContact O-N 3.13Å; D215-T218 VanDerWaalsContact O-N 3.17Å; D215-T218 WeakPolarHBondContact OD2-CG2 3.34Å; D215-T218 PolarHBondContact OD2-OG1 2.99Å; D215-N219 WeakPolarHBondContact O-CA 3.44Å; D215-N219 PolarHBondContact O-N 3.06Å; D215-N220 PolarHBondContact N-O 2.86Å; D215-V222 HydrophobicContact CB-CG2 4.18Å
216G94.2Very high93Very high75 Ų75102.9 Ų102.977%0.77361%0.607SS**THydrogen-bonded Turntrans-61.8-16.6-174.900000114.9L214L214-G216 PolarHBondContact O-N 2.79Å
217R95.2Very high93.1Very high218 Ų218103.4 Ų103.482%0.82360%0.601SS**THydrogen-bonded Turntrans-89.9-35.9176.2-170.6177.965.4117.72.3113.2D215D215-R217 PolarHBondContact O-N 3.49Å; D215-R217 PolarHBondContact OD1-N 2.9Å
218T94.2Very high93.2Very high55 Ų55103.8 Ų103.834%0.33759%0.593SS.*THydrogen-bonded Turntrans-113.3-11.5-170.662.70000114D215 N220D215-T218 WeakPolarHBondContact CB-OG1 3.45Å; D215-T218 PolarHBondContact O-N 3.13Å; D215-T218 VanDerWaalsContact O-N 3.17Å; D215-T218 WeakPolarHBondContact OD2-CG2 3.34Å; D215-T218 PolarHBondContact OD2-OG1 2.99Å; T218-N220 WeakPolarHBondContact CB-ND2 3.01Å; T218-N220 PolarHBondContact O-N 3.35Å; T218-N220 VanDerWaalsContact O-N 3.1Å; T218-N220 PolarHBondContact OG1-N 3.37Å; T218-N220 PolarHBondContact OG1-ND2 3.26Å
219N90.8Very high93.4Very high118 Ų118104.5 Ų104.563%0.63159%0.594SS**  trans55.216.9-170.5-65.4-33.4000114.4D215D215-N219 WeakPolarHBondContact O-CA 3.44Å; D215-N219 PolarHBondContact O-N 3.06Å
220N92.8Very high93.6Very high107 Ų107102.6 Ų102.657%0.57258%0.579SS**PPolyproline II helixtrans-77.7147.5174.5-70.3-42.9000111L214 D215 T218 V222L214-N220 CarbonylContact C-O 3.6Å; L214-N220 VanDerWaalsContact CA-O 3.32Å; L214-N220 WeakPolarHBondContact CA-O 3.18Å; D215-N220 PolarHBondContact N-O 2.86Å; T218-N220 WeakPolarHBondContact CB-ND2 3.01Å; T218-N220 PolarHBondContact O-N 3.35Å; T218-N220 VanDerWaalsContact O-N 3.1Å; T218-N220 PolarHBondContact OG1-N 3.37Å; T218-N220 PolarHBondContact OG1-ND2 3.26Å; N220-V222 PolarHBondContact O-N 2.91Å
221M92.8Very high93.7Very high132 Ų132104 Ų10465%0.6559%0.585SS**BIsolated β-bridgetrans-62132.2176.9-179-176.6-84.200111.5I212 L214I212-M221 HydrophobicContact CB-CE 4.47Å; I212-M221 HydrophobicContact CD1-CE 3.75Å; I212-M221 HydrophobicContact CG1-CE 4.23Å; I212-M221 HydrophobicContact CG2-CB 4.42Å; I212-M221 HydrophobicContact CG2-CE 3.46Å; I212-M221 VanDerWaalsContact CG2-CE 3.46Å; I212-M221 HydrophobicContact CG2-CG 3.73Å; I212-M221 HydrophobicContact CG2-SD 4.33Å; L214-M221 HydrophobicContact CD2-CB 4.49Å
222V94.3Very high93.8Very high65 Ų65103.5 Ų103.539%0.39458%0.581SS.*PPolyproline II helixtrans-96.5127.9177.11790000110.3K213 D215 N220K213-V222 HydrophobicContact CB-CB 4.28Å; K213-V222 PolarHBondContact O-N 3.33Å; D215-V222 HydrophobicContact CB-CG2 4.18Å; N220-V222 PolarHBondContact O-N 2.91Å
223T94.1Very high93.9Very high131 Ų131102.4 Ų102.480%0.80458%0.58SS**PPolyproline II helixtrans-79.8122.8171.655.80000110.6
224V92.7Very high93.8Very high93 Ų9398.2 Ų98.256%0.56458%0.576SS**PPolyproline II helixtrans-94.6123.1177.6-177.50000109.8K213K213-V224 HydrophobicContact CD-CG2 3.79Å
225A93.3Very high93.8Very high82 Ų82100.2 Ų100.268%0.67858%0.583SS**  trans-115.6126172.700000110.4
226T93.4Very high93.8Very high118 Ų118101.7 Ų101.772%0.72459%0.586SS**  trans-107121.2179.2-53.80000109.8
227N93.4Very high93.8Very high72 Ų72100.2 Ų100.239%0.38556%0.56SS.*  trans-121.8151176.4-63.6-58.9000109.9F229 K236N227-F229 HydrophobicContact CB-CD2 4.44Å; N227-F229 HydrophobicContact CB-CE2 3.66Å; N227-F229 HydrophobicContact CB-CZ 3.91Å; N227-K236 HydrophobicContact CB-CD 4.45Å; N227-K236 HydrophobicContact CB-CG 4.45Å; N227-K236 WeakPolarHBondContact OD1-CE 3.4Å; N227-K236 PolarHBondContact OD1-NZ 3.09Å
228F93.1Very high93.6Very high118 Ų11895.9 Ų95.952%0.51855%0.545SS..EExtended strand (participates in β ladder)trans-92.8143.8171.4-61.4-77.6000109.1K236 L237F228-K236 CarbonylContact O-C 3.27Å; F228-K236 WeakPolarHBondContact O-CA 3.16Å; F228-L237 HydrophobicContact CB-CB 3.95Å; F228-L237 PolarHBondContact O-N 3.2Å
229F95Very high93.4Very high118 Ų118102.8 Ų102.852%0.51856%0.564SS.*EExtended strand (participates in β ladder)trans-133.4145.4177.5-64.1-88.4000109.6N227 G234 E235 K236N227-F229 HydrophobicContact CB-CD2 4.44Å; N227-F229 HydrophobicContact CB-CE2 3.66Å; N227-F229 HydrophobicContact CB-CZ 3.91Å; F229-G234 WeakPolarHBondContact CD1-O 3.28Å; F229-E235 CarbonylContact C-O 3.58Å; F229-E235 VanDerWaalsContact CA-O 3.22Å; F229-E235 WeakPolarHBondContact CA-O 3.29Å; F229-K236 HydrophobicContact CD1-CB 4.09Å; F229-K236 HydrophobicContact CE1-CB 3.88Å; F229-K236 HydrophobicContact CE1-CG 4.38Å
230D94.4Very high93.3Very high48 Ų48105.1 Ų105.126%0.25757%0.569SS.*  trans-70.8124.7170.3-176.1-19.7000108.6A232 T233 G234 E235 L237D230-A232 PolarHBondContact O-N 3.11Å; D230-A232 PolarHBondContact OD1-N 3.03Å; D230-T233 VanDerWaalsContact CB-OG1 3.31Å; D230-T233 WeakPolarHBondContact CB-OG1 3.45Å; D230-T233 PolarHBondContact OD2-OG1 3.21Å; D230-G234 VanDerWaalsContact O-CA 3.31Å; D230-G234 WeakPolarHBondContact O-CA 3.36Å; D230-G234 PolarHBondContact O-N 2.87Å; D230-E235 PolarHBondContact N-O 3.45Å; D230-L237 HydrophobicContact CB-CD1 4.24Å; D230-L237 HydrophobicContact CB-CD2 4.15Å; D230-L237 HydrophobicContact CB-CG 4.2Å
231P94.4Very high93.2Very high133 Ų133105 Ų10586%0.86457%0.565SS**THydrogen-bonded Turntrans-61.8-23.4177.726-36000114.2
232A94.5Very high93.1Very high91 Ų91100.4 Ų100.475%0.75254%0.544SS*.THydrogen-bonded Turntrans-90.6-45.6-177.500000113D230D230-A232 PolarHBondContact O-N 3.11Å; D230-A232 PolarHBondContact OD1-N 3.03Å
233T94.1Very high93.1Very high82 Ų82100.9 Ų100.950%0.50355%0.55SS..THydrogen-bonded Turntrans-93.9-21.1-176.565.70000113.1D230 E235D230-T233 VanDerWaalsContact CB-OG1 3.31Å; D230-T233 WeakPolarHBondContact CB-OG1 3.45Å; D230-T233 PolarHBondContact OD2-OG1 3.21Å; T233-E235 PolarHBondContact O-N 3.26Å; T233-E235 WeakPolarHBondContact OG1-CB 3.24Å; T233-E235 PolarHBondContact OG1-N 2.96Å
234G93.5Very high93Very high50 Ų5099.2 Ų99.252%0.51553%0.531SS..  trans70.95.4-170.600000113.5F229 D230F229-G234 WeakPolarHBondContact CD1-O 3.28Å; D230-G234 VanDerWaalsContact O-CA 3.31Å; D230-G234 WeakPolarHBondContact O-CA 3.36Å; D230-G234 PolarHBondContact O-N 2.87Å
235E94.3Very high93.1Very high135 Ų135101.2 Ų101.263%0.63153%0.53SS*.PPolyproline II helixtrans-72.9145.8178.3-67.7-177.615700110.9F229 D230 T233 L237F229-E235 CarbonylContact C-O 3.58Å; F229-E235 VanDerWaalsContact CA-O 3.22Å; F229-E235 WeakPolarHBondContact CA-O 3.29Å; D230-E235 PolarHBondContact N-O 3.45Å; T233-E235 PolarHBondContact O-N 3.26Å; T233-E235 WeakPolarHBondContact OG1-CB 3.24Å; T233-E235 PolarHBondContact OG1-N 2.96Å; E235-L237 PolarHBondContact O-N 3.46Å
236K95.4Very high93.2Very high95 Ų95102 Ų10241%0.41352%0.519SS..EExtended strand (participates in β ladder)trans-72.5120177.6179.1179.1175.4171.50109.5N227 F228 F229N227-K236 HydrophobicContact CB-CD 4.45Å; N227-K236 HydrophobicContact CB-CG 4.45Å; N227-K236 WeakPolarHBondContact OD1-CE 3.4Å; N227-K236 PolarHBondContact OD1-NZ 3.09Å; F228-K236 CarbonylContact O-C 3.27Å; F228-K236 WeakPolarHBondContact O-CA 3.16Å; F229-K236 HydrophobicContact CD1-CB 4.09Å; F229-K236 HydrophobicContact CE1-CB 3.88Å; F229-K236 HydrophobicContact CE1-CG 4.38Å
237L94.1Very high93.4Very high43 Ų43100 Ų10023%0.22551%0.507CS..EExtended strand (participates in β ladder)trans-83.5134.1177.8-65.7172.9000111.7F228 D230 E235 E241 V242F228-L237 HydrophobicContact CB-CB 3.95Å; F228-L237 PolarHBondContact O-N 3.2Å; D230-L237 HydrophobicContact CB-CD1 4.24Å; D230-L237 HydrophobicContact CB-CD2 4.15Å; D230-L237 HydrophobicContact CB-CG 4.2Å; E235-L237 PolarHBondContact O-N 3.46Å; L237-E241 WeakPolarHBondContact CA-OE2 3.38Å; L237-E241 HydrophobicContact CD2-CB 4.23Å; L237-V242 HydrophobicContact CB-CG1 4.13Å; L237-V242 HydrophobicContact CD1-CG1 3.97Å
238Y91.5Very high93.4Very high128 Ų128102.9 Ų102.950%0.50251%0.514SS..PPolyproline II helixtrans-92.7161.8172.9-64.6-84.1000111.7F240 E241 V242Y238-F240 HydrophobicContact CD2-CE1 4.13Å; Y238-F240 HydrophobicContact CD2-CZ 4.17Å; Y238-F240 AromaticContact CG-CE1 3.75Å; Y238-F240 HydrophobicContact CG-CE1 3.75Å; Y238-F240 HydrophobicContact CG-CZ 4.25Å; Y238-F240 PolarHBondContact O-N 3.43Å; Y238-F240 VanDerWaalsContact O-N 3.08Å; Y238-E241 PolarHBondContact N-OE2 3.25Å; Y238-E241 PolarHBondContact O-N 2.95Å; Y238-V242 WeakPolarHBondContact O-CG2 3.3Å; Y238-V242 PolarHBondContact O-N 2.54Å
239R89Confident93.5Very high200 Ų200102.7 Ų102.776%0.75553%0.534SS*.THydrogen-bonded Turntrans-59.6-22.8-177.7-75.3-170.1176.2-174.1-0114.6
240F89.4Confident93.5Very high166 Ų166100.5 Ų100.573%0.72854%0.544SS*.THydrogen-bonded Turntrans-84.4-16.9178.264.9-94.5000113.1Y238Y238-F240 HydrophobicContact CD2-CE1 4.13Å; Y238-F240 HydrophobicContact CD2-CZ 4.17Å; Y238-F240 AromaticContact CG-CE1 3.75Å; Y238-F240 HydrophobicContact CG-CE1 3.75Å; Y238-F240 HydrophobicContact CG-CZ 4.25Å; Y238-F240 PolarHBondContact O-N 3.43Å; Y238-F240 VanDerWaalsContact O-N 3.08Å
241E90.6Very high93.6Very high104 Ų104107.7 Ų107.749%0.48657%0.568SS.*THydrogen-bonded Turntrans-90.2-15.4178.9-58.6174141.900111.8L237 Y238L237-E241 WeakPolarHBondContact CA-OE2 3.38Å; L237-E241 HydrophobicContact CD2-CB 4.23Å; Y238-E241 PolarHBondContact N-OE2 3.25Å; Y238-E241 PolarHBondContact O-N 2.95Å
242V91.7Very high93.7Very high36 Ų36110.3 Ų110.322%0.21856%0.561CS.*  trans-107.1141.4178.1-68.60000111.4L237 Y238 F257L237-V242 HydrophobicContact CB-CG1 4.13Å; L237-V242 HydrophobicContact CD1-CG1 3.97Å; Y238-V242 WeakPolarHBondContact O-CG2 3.3Å; Y238-V242 PolarHBondContact O-N 2.54Å; V242-F257 HydrophobicContact CB-CE2 4.39Å; V242-F257 HydrophobicContact CG2-CE2 3.61Å; V242-F257 HydrophobicContact CG2-CZ 4.18Å; V242-F257 WeakPolarHBondContact O-CE2 3.35Å
243C92.5Very high93.7Very high75 Ų75110.1 Ų110.151%0.50755%0.546SS..  trans-120.7159.1171.266.60000110.6
244K93.2Very high93.7Very high96 Ų96109.3 Ų109.342%0.41755%0.548SS..EExtended strand (participates in β ladder)trans-89.3148.4168.5-68.5-176.9179.3174.10108.3A254 M255 F257 V260K244-A254 CarbonylContact O-C 3.56Å; K244-A254 WeakPolarHBondContact O-CA 3.34Å; K244-M255 PolarHBondContact N-O 2.77Å; K244-M255 PolarHBondContact O-N 3.4Å; K244-F257 HydrophobicContact CD-CD1 4.47Å; K244-F257 HydrophobicContact CD-CE1 4.31Å; K244-F257 HydrophobicContact CG-CE1 4.26Å; K244-F257 HydrophobicContact CG-CZ 4.26Å; K244-V260 HydrophobicContact CD-CG2 4.2Å
245Y94.4Very high93.7Very high135 Ų135109 Ų10953%0.52953%0.533SS..EExtended strand (participates in β ladder)trans-137.7151.5169.774.2-86.2000111.3R252 I253Y245-R252 HydrophobicContact CD2-CB 4.26Å; Y245-R252 HydrophobicContact CD2-CG 4.07Å; Y245-R252 HydrophobicContact CE2-CG 4.32Å; Y245-I253 CarbonylContact C-O 3.5Å; Y245-I253 WeakPolarHBondContact CA-O 3.28Å; Y245-I253 WeakPolarHBondContact CB-O 3.43Å
246Q95.4Very high93.7Very high98 Ų98104.5 Ų104.546%0.45852%0.517SS..EExtended strand (participates in β ladder)trans-126.1140170.9-161.9168.511.100109.4Y248 I253Q246-Y248 HydrophobicContact CB-CD2 4.28Å; Q246-Y248 HydrophobicContact CB-CE2 3.93Å; Q246-Y248 VanDerWaalsContact CD-OH 3.28Å; Q246-Y248 HydrophobicContact CG-CD2 4.02Å; Q246-Y248 HydrophobicContact CG-CE2 3.45Å; Q246-Y248 VanDerWaalsContact CG-CE2 3.45Å; Q246-Y248 PolarHBondContact NE2-OH 3.11Å; Q246-Y248 PolarHBondContact OE1-OH 2.88Å; Q246-I253 PolarHBondContact N-O 2.82Å; Q246-I253 PolarHBondContact O-N 3.47Å
247T96.9Very high93.5Very high77 Ų77103 Ų10347%0.47251%0.51SS..EExtended strand (participates in β ladder)trans-99.7120.4-178.3-54.20000109.6R251T247-R251 WeakPolarHBondContact CA-O 3.45Å
248Y95.2Very high93.4Very high133 Ų133107.8 Ų107.852%0.52253%0.532SS..EExtended strand (participates in β ladder)trans-127.4125.1176.4-77.1-80.7000109.8Q246 G250 R251 I253Q246-Y248 HydrophobicContact CB-CD2 4.28Å; Q246-Y248 HydrophobicContact CB-CE2 3.93Å; Q246-Y248 VanDerWaalsContact CD-OH 3.28Å; Q246-Y248 HydrophobicContact CG-CD2 4.02Å; Q246-Y248 HydrophobicContact CG-CE2 3.45Å; Q246-Y248 VanDerWaalsContact CG-CE2 3.45Å; Q246-Y248 PolarHBondContact NE2-OH 3.11Å; Q246-Y248 PolarHBondContact OE1-OH 2.88Å; Y248-G250 PolarHBondContact O-N 3.14Å; Y248-G250 VanDerWaalsContact O-N 3.12Å; Y248-R251 PolarHBondContact N-O 3.41Å; Y248-R251 PolarHBondContact O-N 3.04Å; Y248-I253 HydrophobicContact CD2-CD1 4.11Å
249A95.2Very high93.4Very high114 Ų114106 Ų10694%0.94253%0.528SS*.THydrogen-bonded Turntrans47.840.6-179.100000113.7R251A249-R251 VanDerWaalsContact C-N 3.27Å; A249-R251 PolarHBondContact O-N 3.24Å
250G94.3Very high93.5Very high71 Ų7198.3 Ų98.373%0.73250%0.503SS*.THydrogen-bonded Turntrans79.2-4.6-179.300000115.7Y248Y248-G250 PolarHBondContact O-N 3.14Å; Y248-G250 VanDerWaalsContact O-N 3.12Å
251R95.8Very high93.6Very high199 Ų19994.2 Ų94.275%0.75149%0.489SS*.EExtended strand (participates in β ladder)trans-96.1133.6175-62.9-175.9-179.9-176.3-0110.5T247 Y248 A249T247-R251 WeakPolarHBondContact CA-O 3.45Å; Y248-R251 PolarHBondContact N-O 3.41Å; Y248-R251 PolarHBondContact O-N 3.04Å; A249-R251 VanDerWaalsContact C-N 3.27Å; A249-R251 PolarHBondContact O-N 3.24Å
252R96Very high93.6Very high189 Ų18995.4 Ų95.471%0.71349%0.494SS*.EExtended strand (participates in β ladder)trans-89.6120.7172.9-65.9-177.2-178.5176.90.2109.1Y245Y245-R252 HydrophobicContact CD2-CB 4.26Å; Y245-R252 HydrophobicContact CD2-CG 4.07Å; Y245-R252 HydrophobicContact CE2-CG 4.32Å
253I95.2Very high93.6Very high86 Ų8699 Ų9944%0.44151%0.511SS..EExtended strand (participates in β ladder)trans-102.2108174.6-55.7174.9000106.6Y245 Q246 Y248Y245-I253 CarbonylContact C-O 3.5Å; Y245-I253 WeakPolarHBondContact CA-O 3.28Å; Y245-I253 WeakPolarHBondContact CB-O 3.43Å; Q246-I253 PolarHBondContact N-O 2.82Å; Q246-I253 PolarHBondContact O-N 3.47Å; Y248-I253 HydrophobicContact CD2-CD1 4.11Å
254A94.4Very high93.3Very high66 Ų6697 Ų9755%0.54550%0.5SS..EExtended strand (participates in β ladder)trans-88.4139.7177.300000110.3K244K244-A254 CarbonylContact O-C 3.56Å; K244-A254 WeakPolarHBondContact O-CA 3.34Å
255M94.2Very high93.2Very high43 Ų4397 Ų9721%0.21250%0.501CS..EExtended strand (participates in β ladder)trans-140.1136.6177.5-64.7176.3-71.700109K244 E259 V260 I263K244-M255 PolarHBondContact N-O 2.77Å; K244-M255 PolarHBondContact O-N 3.4Å; M255-E259 WeakPolarHBondContact CA-OE2 3.47Å; M255-E259 HydrophobicContact CB-CB 4.36Å; M255-V260 HydrophobicContact CB-CG2 3.89Å; M255-V260 HydrophobicContact CE-CG2 4.29Å; M255-V260 HydrophobicContact SD-CG2 4.41Å; M255-I263 HydrophobicContact SD-CD1 3.52Å; M255-I263 VanDerWaalsContact SD-CD1 3.52Å
256S92.8Very high92.9Very high41 Ų4196.8 Ų96.829%0.28750%0.504SS..  trans-65.6160.7168.466.50000111.1Q258 E259 V260S256-Q258 PolarHBondContact O-N 3.37Å; S256-E259 WeakPolarHBondContact CB-OE2 3.27Å; S256-E259 PolarHBondContact N-OE2 3.43Å; S256-E259 PolarHBondContact O-N 2.54Å; S256-E259 WeakPolarHBondContact OG-CB 3.31Å; S256-E259 VanDerWaalsContact OG-CG 3.24Å; S256-E259 WeakPolarHBondContact OG-CG 3.37Å; S256-E259 PolarHBondContact OG-N 3.01Å; S256-E259 VanDerWaalsContact OG-N 3.12Å; S256-E259 PolarHBondContact OG-OE2 2.96Å; S256-V260 WeakPolarHBondContact O-CG2 3.34Å; S256-V260 PolarHBondContact O-N 2.85Å; S256-V260 VanDerWaalsContact O-N 3.13Å
257F91.6Very high92.6Very high62 Ų6293.4 Ų93.427%0.27249%0.49SS..Hα-helixtrans-59.4-35.2173.9-72.8-94.2000112.1V242 K244 V260 D261V242-F257 HydrophobicContact CB-CE2 4.39Å; V242-F257 HydrophobicContact CG2-CE2 3.61Å; V242-F257 HydrophobicContact CG2-CZ 4.18Å; V242-F257 WeakPolarHBondContact O-CE2 3.35Å; K244-F257 HydrophobicContact CD-CD1 4.47Å; K244-F257 HydrophobicContact CD-CE1 4.31Å; K244-F257 HydrophobicContact CG-CE1 4.26Å; K244-F257 HydrophobicContact CG-CZ 4.26Å; F257-V260 PolarHBondContact O-N 3.45Å; F257-D261 PolarHBondContact O-N 2.79Å; F257-D261 VanDerWaalsContact O-N 3.1Å
258Q91.4Very high92.3Very high144 Ų14496.1 Ų96.167%0.67349%0.492SS*.Hα-helixtrans-67.2-42.4177.8-67.7-179.7-2.900112.1S256 V260 D261 Q262S256-Q258 PolarHBondContact O-N 3.37Å; Q258-V260 VanDerWaalsContact C-N 3.32Å; Q258-V260 PolarHBondContact O-N 2.96Å; Q258-D261 PolarHBondContact O-N 3.14Å; Q258-Q262 WeakPolarHBondContact O-CB 3.3Å; Q258-Q262 VanDerWaalsContact O-CG 3.29Å; Q258-Q262 WeakPolarHBondContact O-CG 3.4Å; Q258-Q262 PolarHBondContact O-N 3.4Å
259E92.6Very high92.2Very high92 Ų9292 Ų9243%0.4348%0.481SS..Hα-helixtrans-63.5-40176.2-74.4164.2140.800111.4M255 S256 D261 Q262 I263M255-E259 WeakPolarHBondContact CA-OE2 3.47Å; M255-E259 HydrophobicContact CB-CB 4.36Å; S256-E259 WeakPolarHBondContact CB-OE2 3.27Å; S256-E259 PolarHBondContact N-OE2 3.43Å; S256-E259 PolarHBondContact O-N 2.54Å; S256-E259 WeakPolarHBondContact OG-CB 3.31Å; S256-E259 VanDerWaalsContact OG-CG 3.24Å; S256-E259 WeakPolarHBondContact OG-CG 3.37Å; S256-E259 PolarHBondContact OG-N 3.01Å; S256-E259 VanDerWaalsContact OG-N 3.12Å; S256-E259 PolarHBondContact OG-OE2 2.96Å; E259-D261 VanDerWaalsContact C-N 3.31Å; E259-D261 PolarHBondContact O-N 3.14Å; E259-Q262 PolarHBondContact O-N 2.9Å; E259-I263 WeakPolarHBondContact O-CD1 3.43Å; E259-I263 VanDerWaalsContact O-CG1 3.23Å; E259-I263 WeakPolarHBondContact O-CG1 3.48Å; E259-I263 PolarHBondContact O-N 2.7Å
260V91.5Very high92.1Very high37 Ų3786.9 Ų86.922%0.22444%0.439CS..Hα-helixtrans-61.8-41175.7173.80000111.4K244 M255 S256 F257 Q258 A264K244-V260 HydrophobicContact CD-CG2 4.2Å; M255-V260 HydrophobicContact CB-CG2 3.89Å; M255-V260 HydrophobicContact CE-CG2 4.29Å; M255-V260 HydrophobicContact SD-CG2 4.41Å; S256-V260 WeakPolarHBondContact O-CG2 3.34Å; S256-V260 PolarHBondContact O-N 2.85Å; S256-V260 VanDerWaalsContact O-N 3.13Å; F257-V260 PolarHBondContact O-N 3.45Å; Q258-V260 VanDerWaalsContact C-N 3.32Å; Q258-V260 PolarHBondContact O-N 2.96Å; V260-A264 PolarHBondContact O-N 2.99Å
261D90.6Very high92.2Very high80 Ų8083.5 Ų83.543%0.42841%0.405SS..Hα-helixtrans-68.3-37.4175.9-70.8-12.3000112F257 Q258 E259 A264 H265 N331F257-D261 PolarHBondContact O-N 2.79Å; F257-D261 VanDerWaalsContact O-N 3.1Å; Q258-D261 PolarHBondContact O-N 3.14Å; E259-D261 VanDerWaalsContact C-N 3.31Å; E259-D261 PolarHBondContact O-N 3.14Å; D261-A264 PolarHBondContact O-N 3.1Å; D261-H265 PolarHBondContact O-N 3.49Å; D261-N331 HydrophobicContact CB-CB 4.33Å; D261-N331 WeakPolarHBondContact O-CB 3.09Å
262Q91.5Very high92.2Very high130 Ų13075.5 Ų75.561%0.60738%0.378SS*.Hα-helixtrans-66.8-37.8175.9-74.7174.15.400112.6Q258 E259 A264 H265Q258-Q262 WeakPolarHBondContact O-CB 3.3Å; Q258-Q262 VanDerWaalsContact O-CG 3.29Å; Q258-Q262 WeakPolarHBondContact O-CG 3.4Å; Q258-Q262 PolarHBondContact O-N 3.4Å; E259-Q262 PolarHBondContact O-N 2.9Å; Q262-A264 PolarHBondContact O-N 3.12Å; Q262-H265 WeakPolarHBondContact O-CB 3.19Å; Q262-H265 PolarHBondContact O-N 2.84Å
263I90.8Very high92.3Very high111 Ų11167.8 Ų67.857%0.56935%0.351SS*.Hα-helixtrans-61.4-34.9175.1-69.5162000110.8M255 E259 H265M255-I263 HydrophobicContact SD-CD1 3.52Å; M255-I263 VanDerWaalsContact SD-CD1 3.52Å; E259-I263 WeakPolarHBondContact O-CD1 3.43Å; E259-I263 VanDerWaalsContact O-CG1 3.23Å; E259-I263 WeakPolarHBondContact O-CG1 3.48Å; E259-I263 PolarHBondContact O-N 2.7Å; I263-H265 VanDerWaalsContact C-N 3.3Å
264A87.4Confident92.3Very high34 Ų3468.7 Ų68.728%0.28136%0.356SS..THydrogen-bonded Turntrans-81.5-8.6176.200000113.4V260 D261 Q262 F266 N331 T332V260-A264 PolarHBondContact O-N 2.99Å; D261-A264 PolarHBondContact O-N 3.1Å; Q262-A264 PolarHBondContact O-N 3.12Å; A264-F266 WeakPolarHBondContact O-CD2 3.18Å; A264-N331 VanDerWaalsContact CB-O 3.25Å; A264-N331 WeakPolarHBondContact CB-O 3.16Å; A264-N331 CarbonylContact O-C 3.57Å; A264-T332 CarbonylContact O-C 3.38Å; A264-T332 VanDerWaalsContact O-C 3.27Å; A264-T332 PolarHBondContact O-N 3.32Å
265H90.2Very high92.4Very high94 Ų9466.8 Ų66.844%0.43534%0.343SS..  trans-84.9113.2-180-17392.5000111.3D261 Q262 I263 N331D261-H265 PolarHBondContact O-N 3.49Å; Q262-H265 WeakPolarHBondContact O-CB 3.19Å; Q262-H265 PolarHBondContact O-N 2.84Å; I263-H265 VanDerWaalsContact C-N 3.3Å; H265-N331 PolarHBondContact ND1-OD1 3.31Å; H265-N331 VanDerWaalsContact ND1-OD1 3.12Å
266F88Confident92.6Very high132 Ų13269.1 Ų69.158%0.57935%0.352SS*.  trans-113.9-44.7177-76.6-97000112.8A264 P334A264-F266 WeakPolarHBondContact O-CD2 3.18Å; F266-P334 HydrophobicContact CB-CG 4.32Å
267C89.2Confident92.7Very high26 Ų2670 Ų7018%0.17635%0.353CS..SBendtrans-147.1161.1-172.7-67.30000110.3R325C267-R325 PolarHBondContact SG-NH1 3.12Å
268R90.5Very high93Very high135 Ų13569.3 Ų69.351%0.50936%0.355SS..  trans-59.5146.7167.767.2175175.7162.1-0.4110.7E194E194-R268 IonicContact OE1-CZ 3.26Å; E194-R268 IonicContact OE1-NH1 3.54Å; E194-R268 PolarHBondContact OE1-NH1 2.72Å; E194-R268 IonicContact OE1-NH2 2.87Å; E194-R268 PolarHBondContact OE1-NH2 3.29Å; E194-R268 IonicContact OE2-NH1 3.3Å
269P92.4Very high93Very high45 Ų4564 Ų6429%0.29233%0.334SS..SBendtrans-55.9142.4169.1-20.732.1000110.6T327 Q330P269-T327 CarbonylContact C-O 3.52Å; P269-T327 VanDerWaalsContact CA-O 3.24Å; P269-T327 WeakPolarHBondContact CA-O 3.44Å; P269-Q330 HydrophobicContact CG-CB 4.26Å; P269-Q330 HydrophobicContact CG-CG 3.38Å
270G93.9Very high93Very high7 Ų764.8 Ų64.87%0.07235%0.349CS..EExtended strand (participates in β ladder)trans148.2170.8-171.100000112.2D186 T327D186-G270 WeakPolarHBondContact O-CA 3.29Å; G270-T327 PolarHBondContact N-O 2.97Å; G270-T327 PolarHBondContact O-N 3.44Å
271M95.8Very high93.1Very high1 Ų171 Ų711%0.00537%0.369CS..EExtended strand (participates in β ladder)trans-115.5134.9169.2-168.7164.168.200109.4V185 D186 F187 Q188 V197 F199 M294 C324 R325 L326 V337 L339V185-M271 HydrophobicContact CG2-CB 4.24Å; D186-M271 PolarHBondContact O-N 3.36Å; F187-M271 CarbonylContact C-O 3.59Å; F187-M271 WeakPolarHBondContact CA-O 3.05Å; F187-M271 HydrophobicContact CB-CB 4.44Å; F187-M271 HydrophobicContact CB-CE 4.08Å; F187-M271 HydrophobicContact CD1-CE 3.66Å; F187-M271 HydrophobicContact CD2-CB 3.92Å; F187-M271 HydrophobicContact CD2-CE 3.46Å; F187-M271 VanDerWaalsContact CD2-CE 3.46Å; F187-M271 HydrophobicContact CD2-CG 3.91Å; F187-M271 HydrophobicContact CE1-CE 3.86Å; F187-M271 HydrophobicContact CE2-CE 3.66Å; F187-M271 HydrophobicContact CE2-CG 4.14Å; F187-M271 HydrophobicContact CG-CB 4.46Å; F187-M271 HydrophobicContact CG-CE 3.46Å; F187-M271 VanDerWaalsContact CG-CE 3.46Å; F187-M271 HydrophobicContact CZ-CE 3.85Å; Q188-M271 PolarHBondContact N-O 2.89Å; V197-M271 HydrophobicContact CG2-CE 4.45Å; F199-M271 HydrophobicContact CE1-SD 4.39Å; F199-M271 HydrophobicContact CZ-CE 4.38Å; F199-M271 HydrophobicContact CZ-SD 4.03Å; M271-M294 HydrophobicContact CE-CE 4.18Å; M271-M294 HydrophobicContact CE-SD 3.39Å; M271-M294 WeakPolarHBondContact CE-SD 3.23Å; M271-C324 HydrophobicContact CG-CB 3.57Å; M271-C324 HydrophobicContact SD-CB 3.83Å; M271-R325 WeakPolarHBondContact CA-O 3.41Å; M271-L326 HydrophobicContact CB-CD1 4.21Å; M271-L326 HydrophobicContact CG-CD1 4.48Å; M271-V337 HydrophobicContact SD-CG2 4.29Å; M271-L339 HydrophobicContact CE-CD1 3.84Å; M271-L339 HydrophobicContact CE-CD2 4.35Å; M271-L339 HydrophobicContact SD-CD1 4.37Å; M271-L339 HydrophobicContact SD-CD2 4.13Å
272V96.3Very high93.3Very high30 Ų3069.2 Ų69.218%0.18236%0.359CS..EExtended strand (participates in β ladder)trans-121.7125.5178.6-177.20000109.3Q188 C324 R325Q188-V272 HydrophobicContact CB-CG2 4.33Å; Q188-V272 WeakPolarHBondContact O-CA 3.09Å; V272-C324 CarbonylContact O-C 3.59Å; V272-C324 WeakPolarHBondContact O-CA 3.39Å; V272-C324 WeakPolarHBondContact O-CB 3.39Å; V272-R325 PolarHBondContact N-O 3.21Å; V272-R325 PolarHBondContact O-N 2.8Å
273L97.3Very high93.4Very high28 Ų2868.2 Ų68.215%0.14735%0.352CS..EExtended strand (participates in β ladder)trans-69127.9174.5-178.163.7000110.2F187 Q188 I189 F276 A322F187-L273 HydrophobicContact CE2-CB 3.85Å; F187-L273 HydrophobicContact CZ-CB 4.23Å; F187-L273 HydrophobicContact CZ-CD1 4.41Å; Q188-L273 PolarHBondContact O-N 2.96Å; I189-L273 HydrophobicContact CD1-CD2 4.4Å; I189-L273 HydrophobicContact CG2-CD2 3.84Å; L273-F276 HydrophobicContact CD1-CE2 4.47Å; L273-F276 HydrophobicContact CD1-CZ 4.33Å; L273-F276 HydrophobicContact CD2-CE2 3.94Å; L273-F276 HydrophobicContact CD2-CZ 3.98Å; L273-A322 HydrophobicContact CD1-CB 3.76Å
274L96.4Very high93.5Very high104 Ų10467.6 Ų67.655%0.54536%0.364SS..EExtended strand (participates in β ladder)trans-101.5-33.5175.6-58.6-179.7000112I323 R325 L336L274-I323 WeakPolarHBondContact CB-O 3.44Å; L274-I323 HydrophobicContact CD1-CG2 4.33Å; L274-I323 PolarHBondContact N-O 2.9Å; L274-R325 HydrophobicContact CD1-CB 4.34Å; L274-L336 HydrophobicContact CD1-CD2 3.56Å
275G96.5Very high93.7Very high26 Ų2672.8 Ų72.827%0.26838%0.382SS..EExtended strand (participates in β ladder)trans162.5-168.3179.700000112.3I323G275-I323 PolarHBondContact N-O 3.35Å; G275-I323 PolarHBondContact O-N 2.92Å
276F97.1Very high93.9Very high92 Ų9271 Ų7140%0.40437%0.374SS..EExtended strand (participates in β ladder)trans-121.8138.7-178.7-62.3-92.8000110.8L273 L311 M320 M321 A322L273-F276 HydrophobicContact CD1-CE2 4.47Å; L273-F276 HydrophobicContact CD1-CZ 4.33Å; L273-F276 HydrophobicContact CD2-CE2 3.94Å; L273-F276 HydrophobicContact CD2-CZ 3.98Å; F276-L311 HydrophobicContact CE1-CD1 3.8Å; F276-L311 HydrophobicContact CZ-CD1 3.79Å; F276-M320 HydrophobicContact CB-CE 3.79Å; F276-M321 CarbonylContact C-O 3.54Å; F276-M321 VanDerWaalsContact CA-O 3.32Å; F276-M321 WeakPolarHBondContact CA-O 3.22Å; F276-A322 HydrophobicContact CD1-CB 3.89Å; F276-A322 HydrophobicContact CE1-CB 3.72Å
277L96.5Very high94.2Very high59 Ų5971.1 Ų71.131%0.30937%0.374SS..EExtended strand (participates in β ladder)trans-126.2152.3174.4-72-179.1000110.2M320 M321 I323L277-M320 CarbonylContact O-C 3.58Å; L277-M320 WeakPolarHBondContact O-CA 3.33Å; L277-M321 HydrophobicContact CB-CE 3.77Å; L277-M321 HydrophobicContact CB-CG 4.26Å; L277-M321 HydrophobicContact CD1-CE 4.37Å; L277-M321 PolarHBondContact N-O 3.24Å; L277-M321 WeakPolarHBondContact O-CG 3.37Å; L277-M321 PolarHBondContact O-N 2.83Å; L277-I323 HydrophobicContact CB-CD1 4.49Å; L277-I323 HydrophobicContact CB-CG1 4.21Å; L277-I323 HydrophobicContact CD1-CD1 4.01Å; L277-I323 HydrophobicContact CD1-CG1 3.65Å; L277-I323 HydrophobicContact CG-CD1 4.46Å; L277-I323 HydrophobicContact CG-CG1 3.82Å
278P96.8Very high94.4Very high48 Ų4873.3 Ų73.331%0.31238%0.383SS..EExtended strand (participates in β ladder)trans-62.6139.6172.2-21.633.1000111.5S280 R281 M320P278-S280 PolarHBondContact O-N 3.12Å; P278-S280 VanDerWaalsContact O-N 3.08Å; P278-R281 PolarHBondContact O-N 3.31Å; P278-M320 HydrophobicContact CB-SD 4.21Å; P278-M320 HydrophobicContact CG-CE 4.46Å; P278-M320 HydrophobicContact CG-SD 4.02Å
279S91.6Very high94.5Very high33 Ų3373.6 Ų73.623%0.23138%0.384CS..G310 helixtrans-59.3-25-178.7-54.60000113.2R281 L282 K319S279-R281 PolarHBondContact O-N 3Å; S279-L282 WeakPolarHBondContact O-CB 3.48Å; S279-L282 PolarHBondContact O-N 3.32Å; S279-L282 VanDerWaalsContact O-N 3.12Å; S279-K319 PolarHBondContact N-O 3.1Å; S279-K319 PolarHBondContact OG-O 3.39Å
280S93.1Very high94.5Very high108 Ų10874 Ų7476%0.75538%0.384SS*.G310 helixtrans-64-17.2175.959.70000114.6P278 L282P278-S280 PolarHBondContact O-N 3.12Å; P278-S280 VanDerWaalsContact O-N 3.08Å; S280-L282 VanDerWaalsContact C-N 3.31Å
281R94.1Very high94.5Very high168 Ų16874.9 Ų74.963%0.63439%0.391SS*.G310 helixtrans-78.6-16.4175.4-70.9-165.2171.9-169.4-1113.1P278 S279 M321P278-R281 PolarHBondContact O-N 3.31Å; S279-R281 PolarHBondContact O-N 3Å; R281-M321 HydrophobicContact CB-CE 4.06Å
282L93.6Very high94.5Very high42 Ų4275.4 Ų75.422%0.2239%0.393CS..  trans-77.7122.6176.2-169.568.4000109.6S279 S280 M321 A338 I361 L363S279-L282 WeakPolarHBondContact O-CB 3.48Å; S279-L282 PolarHBondContact O-N 3.32Å; S279-L282 VanDerWaalsContact O-N 3.12Å; S280-L282 VanDerWaalsContact C-N 3.31Å; L282-M321 HydrophobicContact CB-CE 4.04Å; L282-M321 HydrophobicContact CB-SD 3.88Å; L282-M321 HydrophobicContact CD1-SD 4.43Å; L282-M321 HydrophobicContact CD2-SD 4.49Å; L282-A338 HydrophobicContact CD1-CB 4.22Å; L282-I361 HydrophobicContact CD1-CG2 4.3Å; L282-I361 HydrophobicContact CD2-CD1 3.5Å; L282-I361 VanDerWaalsContact CD2-CD1 3.5Å; L282-L363 HydrophobicContact CD1-CD2 3.74Å
283K94Very high94.5Very high109 Ų10974.6 Ų74.647%0.47439%0.388SS..  trans-106.9133-178.1-56.1-173.8-171.1175.80110.1H285 H286K283-H285 VanDerWaalsContact C-N 3.26Å; K283-H285 VanDerWaalsContact CD-CE1 3.47Å; K283-H285 WeakPolarHBondContact CD-CE1 3.37Å; K283-H285 VanDerWaalsContact CD-NE2 3.35Å; K283-H285 WeakPolarHBondContact CD-NE2 3.15Å; K283-H285 PolarHBondContact O-N 2.84Å; K283-H286 WeakPolarHBondContact O-CB 3.32Å; K283-H286 PolarHBondContact O-N 2.86Å; K283-H286 VanDerWaalsContact O-N 3.08Å
284A92.4Very high94.4Very high98 Ų9873.3 Ų73.381%0.8138%0.381SS*.G310 helixtrans-58.4-35.4-179.700000113.4H286 F287A284-H286 PolarHBondContact O-N 3.31Å; A284-F287 PolarHBondContact O-N 2.91Å
285H92.8Very high94.2Very high143 Ų14369.2 Ų69.266%0.66236%0.361SS*.G310 helixtrans-76.3-0.3179.556.9-97000114.6K283K283-H285 VanDerWaalsContact C-N 3.26Å; K283-H285 VanDerWaalsContact CD-CE1 3.47Å; K283-H285 WeakPolarHBondContact CD-CE1 3.37Å; K283-H285 VanDerWaalsContact CD-NE2 3.35Å; K283-H285 WeakPolarHBondContact CD-NE2 3.15Å; K283-H285 PolarHBondContact O-N 2.84Å
286H93.7Very high94.1Very high57 Ų5769.2 Ų69.226%0.26436%0.356SS..G310 helixtrans-88.716.1170.9-68.6178.2000112.4K283 A284 P364K283-H286 WeakPolarHBondContact O-CB 3.32Å; K283-H286 PolarHBondContact O-N 2.86Å; K283-H286 VanDerWaalsContact O-N 3.08Å; A284-H286 PolarHBondContact O-N 3.31Å; H286-P364 HydrophobicContact CB-CG 3.93Å; H286-P364 WeakPolarHBondContact O-CD 3.45Å
287F94.2Very high93.9Very high134 Ų13465.7 Ų65.759%0.58834%0.341SS*.  trans-64.2131.5175.9176.9-97.1000111.8A284 R289A284-F287 PolarHBondContact O-N 2.91Å; F287-R289 WeakPolarHBondContact CE2-O 3.4Å; F287-R289 VanDerWaalsContact CZ-C 3.46Å
288I92.5Very high93.6Very high72 Ų7266.4 Ų66.437%0.36934%0.343SS..  trans-115.7-46.1174.7-53.3170.5000111.3P364I288-P364 HydrophobicContact CD1-CB 3.67Å; I288-P364 HydrophobicContact CD1-CG 4.47Å; I288-P364 HydrophobicContact CG1-CB 3.98Å
289R92.6Very high93.2Very high141 Ų14170.2 Ų70.253%0.53237%0.366SS..SBendtrans-155.7163.2-173.665.9177.5-66.1162.34109.9F287 A291 F362F287-R289 WeakPolarHBondContact CE2-O 3.4Å; F287-R289 VanDerWaalsContact CZ-C 3.46Å; R289-A291 PolarHBondContact O-N 3.38Å; R289-F362 HydrophobicContact CG-CB 3.94Å; R289-F362 HydrophobicContact CG-CD1 4.49Å; R289-F362 HydrophobicContact CG-CD2 3.44Å; R289-F362 VanDerWaalsContact CG-CD2 3.44Å; R289-F362 HydrophobicContact CG-CE2 4.04Å; R289-F362 HydrophobicContact CG-CG 3.7Å
290N93.5Very high93.1Very high54 Ų5472.9 Ų72.929%0.28938%0.38SS..PPolyproline II helixtrans-52.3135.9178.9-60.44.3000111.6V203 F362V203-N290 PolarHBondContact O-ND2 2.89Å; N290-F362 WeakPolarHBondContact O-CE2 3.49Å
291A94.2Very high93Very high25 Ų2570 Ų7021%0.20736%0.359CS..PPolyproline II helixtrans-67.4153.3173.500000110.5R289 V360 I361R289-A291 PolarHBondContact O-N 3.38Å; A291-V360 VanDerWaalsContact CA-O 3.28Å; A291-V360 WeakPolarHBondContact CA-O 3.46Å; A291-V360 WeakPolarHBondContact CB-O 3.18Å; A291-I361 HydrophobicContact CB-CG1 4.13Å
292L95.2Very high92.9Very high12 Ų1271 Ų716%0.06337%0.367CS..EExtended strand (participates in β ladder)trans-99.5160.1166.4-53.7174.6000108.9F182 F199 Y200 H359 V360 F362F182-L292 HydrophobicContact CD1-CD1 4.2Å; F182-L292 HydrophobicContact CE1-CD1 4.4Å; F199-L292 HydrophobicContact CB-CB 4.4Å; F199-L292 HydrophobicContact CB-CD1 4.16Å; F199-L292 HydrophobicContact CG-CD1 4.35Å; Y200-L292 CarbonylContact O-C 3.49Å; Y200-L292 WeakPolarHBondContact O-CA 3.39Å; L292-H359 CarbonylContact O-C 3.45Å; L292-V360 HydrophobicContact CB-CB 4.06Å; L292-V360 HydrophobicContact CB-CG2 4.32Å; L292-V360 PolarHBondContact N-O 2.79Å; L292-V360 VanDerWaalsContact N-O 3.11Å; L292-V360 PolarHBondContact O-N 3.33Å; L292-F362 HydrophobicContact CD1-CE2 4.36Å; L292-F362 HydrophobicContact CD1-CZ 4Å; L292-F362 HydrophobicContact CG-CE2 4.08Å; L292-F362 HydrophobicContact CG-CZ 4.23Å
293F95.5Very high92.8Very high14 Ų1470.8 Ų70.86%0.06138%0.375CS..EExtended strand (participates in β ladder)trans-107.3130.5171.5-171-109.4000109.6F199 Y200 T202 C295 S355F199-F293 CarbonylContact C-O 3.56Å; F199-F293 WeakPolarHBondContact CA-O 3.48Å; Y200-F293 PolarHBondContact N-O 3.02Å; Y200-F293 PolarHBondContact O-N 3.35Å; T202-F293 HydrophobicContact CG2-CB 3.74Å; T202-F293 HydrophobicContact CG2-CG 4.38Å; F293-C295 VanDerWaalsContact CD1-SG 3.52Å; F293-C295 WeakPolarHBondContact CE1-SG 3.39Å; F293-S355 WeakPolarHBondContact CZ-O 3.42Å
294M95.7Very high92.8Very high0 Ų065.6 Ų65.60%035%0.352CS..EExtended strand (participates in β ladder)trans-106.5131.7-177.5-174.9-179.258.500110.6V197 S198 F199 M271 F308 L339 F358 V360V197-M294 HydrophobicContact CB-CG 3.82Å; V197-M294 HydrophobicContact CB-SD 3.86Å; V197-M294 HydrophobicContact CG1-CG 4.22Å; V197-M294 HydrophobicContact CG1-SD 3.88Å; V197-M294 HydrophobicContact CG2-CG 4.2Å; V197-M294 HydrophobicContact CG2-SD 3.81Å; S198-M294 WeakPolarHBondContact O-CA 3.42Å; F199-M294 HydrophobicContact CD1-CB 3.92Å; F199-M294 HydrophobicContact CD1-CG 4.01Å; F199-M294 HydrophobicContact CE1-CB 4Å; F199-M294 HydrophobicContact CE1-CG 3.8Å; F199-M294 HydrophobicContact CE1-SD 3.87Å; M271-M294 HydrophobicContact CE-CE 4.18Å; M271-M294 HydrophobicContact CE-SD 3.39Å; M271-M294 WeakPolarHBondContact CE-SD 3.23Å; M294-F308 HydrophobicContact CE-CE2 3.67Å; M294-F308 HydrophobicContact CE-CZ 4.34Å; M294-F308 HydrophobicContact CG-CE2 4.03Å; M294-F308 VanDerWaalsContact O-CZ 3.32Å; M294-F308 WeakPolarHBondContact O-CZ 3.37Å; M294-F308 HydrophobicContact SD-CE2 4.3Å; M294-L339 HydrophobicContact CE-CD1 3.7Å; M294-L339 HydrophobicContact CE-CD2 4.14Å; M294-L339 HydrophobicContact CE-CG 4.45Å; M294-F358 HydrophobicContact CB-CB 4.35Å; M294-F358 HydrophobicContact CE-CB 3.7Å; M294-F358 HydrophobicContact CE-CD2 3.52Å; M294-F358 HydrophobicContact CE-CE2 4.37Å; M294-F358 HydrophobicContact CE-CG 3.82Å; M294-F358 PolarHBondContact N-O 2.68Å; M294-F358 PolarHBondContact O-N 3.12Å; M294-V360 HydrophobicContact CB-CG2 3.8Å
295C93.5Very high92.9Very high18 Ų1863.2 Ų63.212%0.12233%0.328CS..EExtended strand (participates in β ladder)trans-127.9156.2171.4-51.70000110.4V197 S198 Y200 F293V197-C295 WeakPolarHBondContact CA-O 3.31Å; S198-C295 PolarHBondContact N-O 2.73Å; S198-C295 PolarHBondContact O-N 2.76Å; Y200-C295 HydrophobicContact CD2-CB 4.44Å; Y200-C295 HydrophobicContact CE2-CB 3.85Å; F293-C295 VanDerWaalsContact CD1-SG 3.52Å; F293-C295 WeakPolarHBondContact CE1-SG 3.39Å
296P94.5Very high93Very high26 Ų2661.8 Ų61.817%0.16933%0.329CS..EExtended strand (participates in β ladder)trans-67.7148.5173.629-32.5000111.1T305 F308P296-T305 HydrophobicContact CG-CG2 4.11Å; P296-F308 HydrophobicContact CB-CB 3.84Å; P296-F308 HydrophobicContact CB-CD1 4.42Å; P296-F308 HydrophobicContact CB-CD2 4.07Å; P296-F308 HydrophobicContact CB-CG 3.88Å; P296-F308 HydrophobicContact CG-CB 4.18Å; P296-F308 HydrophobicContact CG-CD1 3.98Å; P296-F308 HydrophobicContact CG-CD2 4.42Å; P296-F308 HydrophobicContact CG-CE1 4.48Å; P296-F308 HydrophobicContact CG-CG 3.96Å
297D91.2Very high93.1Very high19 Ų1962 Ų6210%0.10233%0.329CS..  trans-118.595.6174.7-171.6-10.4000110.5A196 S198 T299A196-D297 HydrophobicContact CB-CB 4.13Å; A196-D297 WeakPolarHBondContact CB-O 3.36Å; A196-D297 PolarHBondContact O-N 3.03Å; S198-D297 PolarHBondContact OG-OD2 3.2Å; D297-T299 PolarHBondContact O-N 2.9Å; D297-T299 WeakPolarHBondContact OD1-CB 3.22Å; D297-T299 PolarHBondContact OD1-N 2.78Å; D297-T299 PolarHBondContact OD1-OG1 3.22Å
298E90.3Very high93.2Very high74 Ų7455.6 Ų55.635%0.34630%0.301SS..THydrogen-bonded Turntrans-73.4-15.6-179.1-155.669.3-170.400112.8V300 K302 G303 S304 T305E298-V300 VanDerWaalsContact C-N 3.32Å; E298-V300 PolarHBondContact O-N 2.64Å; E298-K302 WeakPolarHBondContact OE1-CA 3.1Å; E298-G303 PolarHBondContact OE1-N 3.06Å; E298-S304 PolarHBondContact OE2-N 2.71Å; E298-T305 WeakPolarHBondContact OE2-CB 3.43Å; E298-T305 PolarHBondContact OE2-N 3.49Å; E298-T305 PolarHBondContact OE2-OG1 3.08Å
299T88.4Confident93.3Very high128 Ų12855.6 Ų55.679%0.78530%0.3SS*.THydrogen-bonded Turntrans-71-30.8-177.371.80000112.1D297D297-T299 PolarHBondContact O-N 2.9Å; D297-T299 WeakPolarHBondContact OD1-CB 3.22Å; D297-T299 PolarHBondContact OD1-N 2.78Å; D297-T299 PolarHBondContact OD1-OG1 3.22Å
300V89.7Confident93.5Very high89 Ų8951.5 Ų51.554%0.53930%0.297SS..THydrogen-bonded Turntrans-89.8-51.7179.7179.90000110.8A196 E298A196-V300 HydrophobicContact CB-CB 3.66Å; A196-V300 HydrophobicContact CB-CG1 3.94Å; E298-V300 VanDerWaalsContact C-N 3.32Å; E298-V300 PolarHBondContact O-N 2.64Å
301T91Very high93.6Very high48 Ų4849.9 Ų49.929%0.29429%0.288SS..SBendtrans-130.8110.4-175.8-59.40000110.2S304T301-S304 WeakPolarHBondContact CB-OG 3.48Å; T301-S304 VanDerWaalsContact O-CB 3.31Å; T301-S304 WeakPolarHBondContact O-CB 3.38Å; T301-S304 PolarHBondContact O-N 2.98Å; T301-S304 PolarHBondContact O-OG 2.74Å
302K92.9Very high93.7Very high189 Ų18949 Ų4982%0.82228%0.28SS*.THydrogen-bonded Turntrans-64.9140.3174.4-63-175.1179.2-175.20110.9E298E298-K302 WeakPolarHBondContact OE1-CA 3.1Å
303G92Very high93.8Very high36 Ų3651.8 Ų51.837%0.37130%0.297SS..THydrogen-bonded Turntrans90-5.4-173.300000114.5E298 T305 V306 F307E298-G303 PolarHBondContact OE1-N 3.06Å; G303-T305 VanDerWaalsContact C-N 3.34Å; G303-T305 PolarHBondContact O-N 2.82Å; G303-V306 PolarHBondContact O-N 3.39Å; G303-F307 PolarHBondContact O-N 2.82Å
304S94Very high93.8Very high0 Ų056.1 Ų56.10%032%0.316CS..Hα-helixtrans-62.2-42.8-178.4-640000111.3A196 E298 T301 V306 F307 F308A196-S304 PolarHBondContact N-OG 2.86Å; A196-S304 VanDerWaalsContact N-OG 3.11Å; E298-S304 PolarHBondContact OE2-N 2.71Å; T301-S304 WeakPolarHBondContact CB-OG 3.48Å; T301-S304 VanDerWaalsContact O-CB 3.31Å; T301-S304 WeakPolarHBondContact O-CB 3.38Å; T301-S304 PolarHBondContact O-N 2.98Å; T301-S304 PolarHBondContact O-OG 2.74Å; S304-V306 PolarHBondContact O-N 3.17Å; S304-F307 PolarHBondContact O-N 3.11Å; S304-F308 WeakPolarHBondContact O-CB 3.36Å; S304-F308 PolarHBondContact O-N 3.22Å
305T94Very high93.9Very high48 Ų4856.3 Ų56.329%0.29432%0.317SS..Hα-helixtrans-61.1-44.2-179.4-54.30000111.9P296 E298 G303 F307 F308 M309P296-T305 HydrophobicContact CG-CG2 4.11Å; E298-T305 WeakPolarHBondContact OE2-CB 3.43Å; E298-T305 PolarHBondContact OE2-N 3.49Å; E298-T305 PolarHBondContact OE2-OG1 3.08Å; G303-T305 VanDerWaalsContact C-N 3.34Å; G303-T305 PolarHBondContact O-N 2.82Å; T305-F307 PolarHBondContact O-N 3.28Å; T305-F308 PolarHBondContact O-N 2.98Å; T305-M309 HydrophobicContact CG2-CE 4.47Å; T305-M309 HydrophobicContact CG2-CG 4.32Å; T305-M309 WeakPolarHBondContact O-CB 3.44Å; T305-M309 VanDerWaalsContact O-CG 3.26Å; T305-M309 WeakPolarHBondContact O-CG 3.5Å; T305-M309 PolarHBondContact O-N 2.82Å
306V95.5Very high94Very high114 Ų11458.5 Ų58.569%0.69133%0.328SS*.Hα-helixtrans-61.9-49-179.3179.80000111G303 S304 A310G303-V306 PolarHBondContact O-N 3.39Å; S304-V306 PolarHBondContact O-N 3.17Å; V306-A310 WeakPolarHBondContact O-CB 3.33Å; V306-A310 PolarHBondContact O-N 3.1Å; V306-A310 VanDerWaalsContact O-N 3.08Å
307F94.8Very high94.1Very high60 Ų6062.7 Ų62.726%0.26335%0.345SS..Hα-helixtrans-66.1-42.5178.4179.1-88.6000111.6I189 F193 I195 G303 S304 T305 M309 A310 L311I189-F307 HydrophobicContact CD1-CE1 3.74Å; I189-F307 HydrophobicContact CD1-CZ 4.14Å; I189-F307 HydrophobicContact CG1-CE1 3.71Å; I189-F307 HydrophobicContact CG1-CZ 3.84Å; I189-F307 HydrophobicContact CG2-CZ 4.13Å; F193-F307 HydrophobicContact CE1-CD1 4.46Å; F193-F307 AromaticContact CE1-CD2 3.75Å; F193-F307 HydrophobicContact CE1-CD2 3.75Å; F193-F307 HydrophobicContact CE1-CE1 4.3Å; F193-F307 AromaticContact CE1-CE2 3.57Å; F193-F307 HydrophobicContact CE1-CE2 3.57Å; F193-F307 HydrophobicContact CE1-CG 4.2Å; F193-F307 AromaticContact CE1-CZ 3.86Å; F193-F307 HydrophobicContact CE1-CZ 3.86Å; F193-F307 AromaticContact CZ-CD2 3.75Å; F193-F307 HydrophobicContact CZ-CD2 3.75Å; F193-F307 HydrophobicContact CZ-CE2 4.06Å; F193-F307 HydrophobicContact CZ-CG 4.09Å; I195-F307 HydrophobicContact CD1-CD1 3.63Å; I195-F307 HydrophobicContact CD1-CE1 4.08Å; I195-F307 HydrophobicContact CG2-CB 4.31Å; I195-F307 HydrophobicContact CG2-CD1 3.9Å; I195-F307 HydrophobicContact CG2-CG 4.24Å; G303-F307 PolarHBondContact O-N 2.82Å; S304-F307 PolarHBondContact O-N 3.11Å; T305-F307 PolarHBondContact O-N 3.28Å; F307-M309 PolarHBondContact O-N 3.41Å; F307-A310 PolarHBondContact O-N 3.18Å; F307-L311 HydrophobicContact CE1-CB 4.41Å; F307-L311 HydrophobicContact CE1-CD2 4.29Å; F307-L311 WeakPolarHBondContact O-CB 3.39Å; F307-L311 PolarHBondContact O-N 3.35Å
308F96.4Very high94.3Very high0 Ų070.8 Ų70.80%037%0.374CS..Hα-helixtrans-58.7-46.9179-176.5-79.1000111.7V197 M294 P296 S304 T305 L311 L312 F358V197-F308 HydrophobicContact CG1-CD2 4.24Å; V197-F308 HydrophobicContact CG1-CE2 4.42Å; M294-F308 HydrophobicContact CE-CE2 3.67Å; M294-F308 HydrophobicContact CE-CZ 4.34Å; M294-F308 HydrophobicContact CG-CE2 4.03Å; M294-F308 VanDerWaalsContact O-CZ 3.32Å; M294-F308 WeakPolarHBondContact O-CZ 3.37Å; M294-F308 HydrophobicContact SD-CE2 4.3Å; P296-F308 HydrophobicContact CB-CB 3.84Å; P296-F308 HydrophobicContact CB-CD1 4.42Å; P296-F308 HydrophobicContact CB-CD2 4.07Å; P296-F308 HydrophobicContact CB-CG 3.88Å; P296-F308 HydrophobicContact CG-CB 4.18Å; P296-F308 HydrophobicContact CG-CD1 3.98Å; P296-F308 HydrophobicContact CG-CD2 4.42Å; P296-F308 HydrophobicContact CG-CE1 4.48Å; P296-F308 HydrophobicContact CG-CG 3.96Å; S304-F308 WeakPolarHBondContact O-CB 3.36Å; S304-F308 PolarHBondContact O-N 3.22Å; T305-F308 PolarHBondContact O-N 2.98Å; F308-L311 WeakPolarHBondContact O-CB 3.37Å; F308-L311 PolarHBondContact O-N 3.11Å; F308-L312 WeakPolarHBondContact O-CB 3.37Å; F308-L312 PolarHBondContact O-N 3.21Å; F308-F358 HydrophobicContact CE1-CD2 4.06Å; F308-F358 HydrophobicContact CE1-CE2 4.13Å; F308-F358 AromaticContact CE2-CD2 3.84Å; F308-F358 HydrophobicContact CE2-CD2 3.84Å; F308-F358 HydrophobicContact CE2-CE2 4.19Å; F308-F358 AromaticContact CZ-CD2 3.48Å; F308-F358 HydrophobicContact CZ-CD2 3.48Å; F308-F358 VanDerWaalsContact CZ-CD2 3.48Å; F308-F358 AromaticContact CZ-CE2 3.93Å; F308-F358 HydrophobicContact CZ-CE2 3.93Å
309M95.6Very high94.5Very high72 Ų7275 Ų7536%0.35539%0.391SS..Hα-helixtrans-65.7-41.5178-67.7-56.9-178.900111.6T305 F307 L311 L312 T313T305-M309 HydrophobicContact CG2-CE 4.47Å; T305-M309 HydrophobicContact CG2-CG 4.32Å; T305-M309 WeakPolarHBondContact O-CB 3.44Å; T305-M309 VanDerWaalsContact O-CG 3.26Å; T305-M309 WeakPolarHBondContact O-CG 3.5Å; T305-M309 PolarHBondContact O-N 2.82Å; F307-M309 PolarHBondContact O-N 3.41Å; M309-L311 VanDerWaalsContact C-N 3.31Å; M309-L311 PolarHBondContact O-N 2.95Å; M309-L312 PolarHBondContact O-N 2.88Å; M309-L312 HydrophobicContact SD-CD2 4.25Å; M309-T313 PolarHBondContact O-N 2.93Å; M309-T313 PolarHBondContact O-OG1 3.04Å
310A96.1Very high94.9Very high55 Ų5571.2 Ų71.246%0.45537%0.365SS..Hα-helixtrans-59.7-41.317400000112.3V306 F307 K314V306-A310 WeakPolarHBondContact O-CB 3.33Å; V306-A310 PolarHBondContact O-N 3.1Å; V306-A310 VanDerWaalsContact O-N 3.08Å; F307-A310 PolarHBondContact O-N 3.18Å; A310-K314 WeakPolarHBondContact O-CB 3.33Å; A310-K314 WeakPolarHBondContact O-CG 3.28Å; A310-K314 PolarHBondContact O-N 3.27Å; A310-K314 VanDerWaalsContact O-N 3.14Å
311L95.8Very high95.2Very high20 Ų2067.2 Ų67.211%0.10534%0.341CS..Hα-helixtrans-64.2-45175.5-177.665000111.4F187 F276 F307 F308 M309 K314 C315 F358F187-L311 HydrophobicContact CE1-CD2 4.16Å; F276-L311 HydrophobicContact CE1-CD1 3.8Å; F276-L311 HydrophobicContact CZ-CD1 3.79Å; F307-L311 HydrophobicContact CE1-CB 4.41Å; F307-L311 HydrophobicContact CE1-CD2 4.29Å; F307-L311 WeakPolarHBondContact O-CB 3.39Å; F307-L311 PolarHBondContact O-N 3.35Å; F308-L311 WeakPolarHBondContact O-CB 3.37Å; F308-L311 PolarHBondContact O-N 3.11Å; M309-L311 VanDerWaalsContact C-N 3.31Å; M309-L311 PolarHBondContact O-N 2.95Å; L311-K314 PolarHBondContact O-N 3.45Å; L311-C315 WeakPolarHBondContact O-CB 3.32Å; L311-C315 PolarHBondContact O-N 3.44Å; L311-C315 PolarHBondContact O-SG 3.45Å; L311-F358 HydrophobicContact CD2-CE2 4.38Å; L311-F358 HydrophobicContact CD2-CZ 4.17Å; L311-F358 HydrophobicContact CG-CE2 4.48Å; L311-F358 HydrophobicContact CG-CZ 3.95Å
312L96.3Very high95.5Very high8 Ų864.9 Ų64.94%0.04233%0.327CS..Hα-helixtrans-59.3-53.8178.4179.458.6000111.3F308 M309 K314 C315 L316 P341 P356 G357 F358F308-L312 WeakPolarHBondContact O-CB 3.37Å; F308-L312 PolarHBondContact O-N 3.21Å; M309-L312 PolarHBondContact O-N 2.88Å; M309-L312 HydrophobicContact SD-CD2 4.25Å; L312-K314 VanDerWaalsContact C-N 3.31Å; L312-K314 PolarHBondContact O-N 3.17Å; L312-C315 PolarHBondContact O-N 3Å; L312-C315 VanDerWaalsContact O-N 3.16Å; L312-L316 HydrophobicContact CD1-CD1 4.14Å; L312-L316 HydrophobicContact CD1-CG 4.31Å; L312-L316 HydrophobicContact CG-CD1 4.11Å; L312-L316 WeakPolarHBondContact O-CG 3.42Å; L312-L316 PolarHBondContact O-N 2.81Å; L312-P341 HydrophobicContact CD1-CB 3.59Å; L312-P356 HydrophobicContact CD2-CB 4.09Å; L312-G357 VanDerWaalsContact CD1-O 3.24Å; L312-G357 WeakPolarHBondContact CD1-O 3.5Å; L312-F358 HydrophobicContact CB-CE2 3.96Å; L312-F358 HydrophobicContact CB-CZ 4.01Å; L312-F358 HydrophobicContact CD1-CD2 4.48Å; L312-F358 HydrophobicContact CD1-CE1 4.24Å; L312-F358 HydrophobicContact CD1-CE2 4.1Å; L312-F358 HydrophobicContact CD1-CZ 3.98Å
313T96.6Very high95.7Very high70 Ų7056.9 Ų56.943%0.42929%0.293SS..Hα-helixtrans-55.9-45.3179.1-57.60000111.4M309 L316 E317M309-T313 PolarHBondContact O-N 2.93Å; M309-T313 PolarHBondContact O-OG1 3.04Å; T313-L316 PolarHBondContact O-N 2.92Å; T313-E317 WeakPolarHBondContact O-CG 3.27Å; T313-E317 PolarHBondContact O-N 3.03Å
314K96.7Very high95.9Very high104 Ų10455.2 Ų55.245%0.45228%0.275SS..Hα-helixtrans-71.1-32.4179.8-69.3-67.4167.4-136.10113.8A310 L311 L312 E317 R318A310-K314 WeakPolarHBondContact O-CB 3.33Å; A310-K314 WeakPolarHBondContact O-CG 3.28Å; A310-K314 PolarHBondContact O-N 3.27Å; A310-K314 VanDerWaalsContact O-N 3.14Å; L311-K314 PolarHBondContact O-N 3.45Å; L312-K314 VanDerWaalsContact C-N 3.31Å; L312-K314 PolarHBondContact O-N 3.17Å; K314-E317 WeakPolarHBondContact CD-OE2 3.48Å; K314-E317 IonicContact NZ-OE1 2.66Å; K314-E317 PolarHBondContact NZ-OE1 3.44Å; K314-E317 IonicContact NZ-OE2 3.42Å; K314-E317 PolarHBondContact NZ-OE2 3.31Å; K314-R318 WeakPolarHBondContact O-CB 3.2Å; K314-R318 WeakPolarHBondContact O-CG 3.17Å; K314-R318 PolarHBondContact O-N 3.27Å
315C96.7Very high96Very high4 Ų459.1 Ų59.13%0.02729%0.29CS..Hα-helixtrans-68.4-39.7174-70.50000111.6L311 L312 K319 M320 P341 F358L311-C315 WeakPolarHBondContact O-CB 3.32Å; L311-C315 PolarHBondContact O-N 3.44Å; L311-C315 PolarHBondContact O-SG 3.45Å; L312-C315 PolarHBondContact O-N 3Å; L312-C315 VanDerWaalsContact O-N 3.16Å; C315-K319 WeakPolarHBondContact O-CA 3.5Å; C315-K319 PolarHBondContact O-N 3.42Å; C315-M320 WeakPolarHBondContact CB-O 3.36Å; C315-M320 PolarHBondContact O-N 3.19Å; C315-P341 HydrophobicContact CB-CB 3.93Å; C315-P341 HydrophobicContact CB-CG 3.88Å; C315-F358 HydrophobicContact CB-CE1 4.18Å
316L95.7Very high96.1Very high65 Ų6557.2 Ų57.234%0.3428%0.278SS..Hα-helixtrans-63.8-52.5174.8-71.1169.8000111.7L312 T313 R318 K319 P341 A343L312-L316 HydrophobicContact CD1-CD1 4.14Å; L312-L316 HydrophobicContact CD1-CG 4.31Å; L312-L316 HydrophobicContact CG-CD1 4.11Å; L312-L316 WeakPolarHBondContact O-CG 3.42Å; L312-L316 PolarHBondContact O-N 2.81Å; T313-L316 PolarHBondContact O-N 2.92Å; L316-R318 VanDerWaalsContact C-N 3.26Å; L316-R318 PolarHBondContact O-N 3.17Å; L316-K319 PolarHBondContact O-N 3.16Å; L316-K319 VanDerWaalsContact O-N 3.16Å; L316-P341 HydrophobicContact CD2-CB 3.77Å; L316-P341 HydrophobicContact CD2-CG 4.03Å; L316-P341 HydrophobicContact CG-CB 3.91Å; L316-P341 HydrophobicContact CG-CG 4.42Å; L316-A343 HydrophobicContact CD1-CB 3.91Å; L316-A343 HydrophobicContact CD2-CB 4.33Å
317E96Very high96.1Very high113 Ų11351.9 Ų51.953%0.52825%0.246SC..Hα-helixtrans-54.1-43178.9-77.2175-157.500112.1T313 K314T313-E317 WeakPolarHBondContact O-CG 3.27Å; T313-E317 PolarHBondContact O-N 3.03Å; K314-E317 WeakPolarHBondContact CD-OE2 3.48Å; K314-E317 IonicContact NZ-OE1 2.66Å; K314-E317 PolarHBondContact NZ-OE1 3.44Å; K314-E317 IonicContact NZ-OE2 3.42Å; K314-E317 PolarHBondContact NZ-OE2 3.31Å
318R95.8Very high95.7Very high189 Ų18950.6 Ų50.671%0.71325%0.246SC*.Hα-helixtrans-90.7-3.1-175.6-63.5-174.8176.1-164.4-0.5114K314 L316 M320K314-R318 WeakPolarHBondContact O-CB 3.2Å; K314-R318 WeakPolarHBondContact O-CG 3.17Å; K314-R318 PolarHBondContact O-N 3.27Å; L316-R318 VanDerWaalsContact C-N 3.26Å; L316-R318 PolarHBondContact O-N 3.17Å; R318-M320 VanDerWaalsContact C-N 3.27Å; R318-M320 HydrophobicContact CB-CB 4.44Å; R318-M320 HydrophobicContact CB-CG 3.64Å; R318-M320 WeakPolarHBondContact O-CG 3.36Å; R318-M320 PolarHBondContact O-N 3.47Å
319K94.9Very high95.3Very high164 Ų16458.3 Ų58.371%0.71328%0.275SS*.THydrogen-bonded Turntrans51.746-172.7-58.4-177.8178.5-178.70112.4S279 C315 L316S279-K319 PolarHBondContact N-O 3.1Å; S279-K319 PolarHBondContact OG-O 3.39Å; C315-K319 WeakPolarHBondContact O-CA 3.5Å; C315-K319 PolarHBondContact O-N 3.42Å; L316-K319 PolarHBondContact O-N 3.16Å; L316-K319 VanDerWaalsContact O-N 3.16Å
320M96.2Very high95Very high47 Ų4761.6 Ų61.623%0.23229%0.289CS..EExtended strand (participates in β ladder)trans-113150.8-178.6-61.1-67.9-74.200110.5F276 L277 P278 C315 R318 P341F276-M320 HydrophobicContact CB-CE 3.79Å; L277-M320 CarbonylContact O-C 3.58Å; L277-M320 WeakPolarHBondContact O-CA 3.33Å; P278-M320 HydrophobicContact CB-SD 4.21Å; P278-M320 HydrophobicContact CG-CE 4.46Å; P278-M320 HydrophobicContact CG-SD 4.02Å; C315-M320 WeakPolarHBondContact CB-O 3.36Å; C315-M320 PolarHBondContact O-N 3.19Å; R318-M320 VanDerWaalsContact C-N 3.27Å; R318-M320 HydrophobicContact CB-CB 4.44Å; R318-M320 HydrophobicContact CB-CG 3.64Å; R318-M320 WeakPolarHBondContact O-CG 3.36Å; R318-M320 PolarHBondContact O-N 3.47Å; M320-P341 WeakPolarHBondContact O-CD 3.44Å; M320-P341 WeakPolarHBondContact O-CG 3.41Å
321M96Very high94.7Very high5 Ų561.9 Ų61.93%0.02528%0.283CS..EExtended strand (participates in β ladder)trans-114.6146.7168.957.2175.4179.800109.7F276 L277 R281 L282 I323 A338 L339F276-M321 CarbonylContact C-O 3.54Å; F276-M321 VanDerWaalsContact CA-O 3.32Å; F276-M321 WeakPolarHBondContact CA-O 3.22Å; L277-M321 HydrophobicContact CB-CE 3.77Å; L277-M321 HydrophobicContact CB-CG 4.26Å; L277-M321 HydrophobicContact CD1-CE 4.37Å; L277-M321 PolarHBondContact N-O 3.24Å; L277-M321 WeakPolarHBondContact O-CG 3.37Å; L277-M321 PolarHBondContact O-N 2.83Å; R281-M321 HydrophobicContact CB-CE 4.06Å; L282-M321 HydrophobicContact CB-CE 4.04Å; L282-M321 HydrophobicContact CB-SD 3.88Å; L282-M321 HydrophobicContact CD1-SD 4.43Å; L282-M321 HydrophobicContact CD2-SD 4.49Å; M321-I323 HydrophobicContact CE-CD1 4.16Å; M321-I323 HydrophobicContact CG-CD1 4.41Å; M321-I323 HydrophobicContact SD-CD1 4.28Å; M321-A338 HydrophobicContact SD-CB 3.81Å; M321-L339 VanDerWaalsContact CA-O 3.31Å; M321-L339 WeakPolarHBondContact CA-O 3.37Å; M321-L339 VanDerWaalsContact CB-O 3.29Å; M321-L339 WeakPolarHBondContact CB-O 3.34Å
322A97Very high94.4Very high0 Ų063.7 Ų63.70%030%0.295CS..EExtended strand (participates in β ladder)trans-91.1131.7174.400000110.3L273 F276 A338 L339L273-A322 HydrophobicContact CD1-CB 3.76Å; F276-A322 HydrophobicContact CD1-CB 3.89Å; F276-A322 HydrophobicContact CE1-CB 3.72Å; A322-A338 CarbonylContact O-C 3.57Å; A322-L339 HydrophobicContact CB-CB 4.1Å; A322-L339 HydrophobicContact CB-CD1 4.08Å; A322-L339 HydrophobicContact CB-CG 4.36Å; A322-L339 PolarHBondContact N-O 3.43Å; A322-L339 PolarHBondContact O-N 2.84Å
323I97.7Very high94.2Very high21 Ų2165.7 Ų65.711%0.10831%0.31CS..EExtended strand (participates in β ladder)trans-96.1125.4175-56.3-55000108.3L274 G275 L277 M321 A338 L363L274-I323 WeakPolarHBondContact CB-O 3.44Å; L274-I323 HydrophobicContact CD1-CG2 4.33Å; L274-I323 PolarHBondContact N-O 2.9Å; G275-I323 PolarHBondContact N-O 3.35Å; G275-I323 PolarHBondContact O-N 2.92Å; L277-I323 HydrophobicContact CB-CD1 4.49Å; L277-I323 HydrophobicContact CB-CG1 4.21Å; L277-I323 HydrophobicContact CD1-CD1 4.01Å; L277-I323 HydrophobicContact CD1-CG1 3.65Å; L277-I323 HydrophobicContact CG-CD1 4.46Å; L277-I323 HydrophobicContact CG-CG1 3.82Å; M321-I323 HydrophobicContact CE-CD1 4.16Å; M321-I323 HydrophobicContact CG-CD1 4.41Å; M321-I323 HydrophobicContact SD-CD1 4.28Å; I323-A338 HydrophobicContact CD1-CB 3.83Å; I323-L363 HydrophobicContact CD1-CD1 4.16Å
324C97.2Very high94Very high0 Ų063.4 Ų63.40%030%0.296CS..EExtended strand (participates in β ladder)trans-129.7157-177.2-57.30000111.6M271 V272 V337 L339M271-C324 HydrophobicContact CG-CB 3.57Å; M271-C324 HydrophobicContact SD-CB 3.83Å; V272-C324 CarbonylContact O-C 3.59Å; V272-C324 WeakPolarHBondContact O-CA 3.39Å; V272-C324 WeakPolarHBondContact O-CB 3.39Å; C324-V337 HydrophobicContact CB-CG2 3.84Å; C324-V337 PolarHBondContact N-O 3.32Å; C324-V337 PolarHBondContact O-N 2.85Å; C324-L339 VanDerWaalsContact SG-CD1 3.5Å
325R96.2Very high93.9Very high82 Ų8263.5 Ų63.531%0.30929%0.294SS..EExtended strand (participates in β ladder)trans-99.3117.5165.8-175.1-173.968.1-1720.6108.5C267 M271 V272 L274 P334C267-R325 PolarHBondContact SG-NH1 3.12Å; M271-R325 WeakPolarHBondContact CA-O 3.41Å; V272-R325 PolarHBondContact N-O 3.21Å; V272-R325 PolarHBondContact O-N 2.8Å; L274-R325 HydrophobicContact CD1-CB 4.34Å; R325-P334 HydrophobicContact CG-CB 3.54Å
326L95.4Very high93.9Very high8 Ų866 Ų664%0.04231%0.306CS..EExtended strand (participates in β ladder)trans-104127.3179.1178.662.5000110.9F199 M271 R335 V337 V360 F362F199-L326 HydrophobicContact CE2-CD1 3.65Å; F199-L326 HydrophobicContact CZ-CD1 3.73Å; M271-L326 HydrophobicContact CB-CD1 4.21Å; M271-L326 HydrophobicContact CG-CD1 4.48Å; L326-R335 PolarHBondContact N-O 3.3Å; L326-R335 PolarHBondContact O-N 3.3Å; L326-V337 HydrophobicContact CB-CG1 3.91Å; L326-V337 HydrophobicContact CB-CG2 4Å; L326-V337 HydrophobicContact CD2-CG1 4.1Å; L326-V360 HydrophobicContact CD2-CG1 4.32Å; L326-F362 HydrophobicContact CD2-CE1 4.17Å; L326-F362 HydrophobicContact CD2-CZ 4.39Å
327T94Very high94Very high3 Ų362.9 Ų62.92%0.01829%0.29CS..EExtended strand (participates in β ladder)trans-123.199.3169.2-51.80000108P269 G270P269-T327 CarbonylContact C-O 3.52Å; P269-T327 VanDerWaalsContact CA-O 3.24Å; P269-T327 WeakPolarHBondContact CA-O 3.44Å; G270-T327 PolarHBondContact N-O 2.97Å; G270-T327 PolarHBondContact O-N 3.44Å
328A87.7Confident94Very high32 Ų3257.5 Ų57.526%0.26427%0.265SS..  trans-74.3-30-17000000113.9
329R88.5Confident94.1Very high162 Ų16248.5 Ų48.561%0.61123%0.231SC*.SBendtrans-141.9160.2-175.2-62.4-177-176.3-177.40.6110.2
330Q89.3Confident94.2Very high142 Ų14243.1 Ų43.166%0.66421%0.21SC*.THydrogen-bonded Turntrans-62.4150.7171.6-65.2-172.68.200110P269 T332P269-Q330 HydrophobicContact CG-CB 4.26Å; P269-Q330 HydrophobicContact CG-CG 3.38Å; Q330-T332 VanDerWaalsContact C-N 3.26Å; Q330-T332 PolarHBondContact O-N 3.3Å; Q330-T332 PolarHBondContact O-OG1 3.24Å
331N88.8Confident94.2Very high60 Ų6041.7 Ų41.732%0.32120%0.204SC..THydrogen-bonded Turntrans57.437.8177.2-51.1-20.5000113D261 A264 H265D261-N331 HydrophobicContact CB-CB 4.33Å; D261-N331 WeakPolarHBondContact O-CB 3.09Å; A264-N331 VanDerWaalsContact CB-O 3.25Å; A264-N331 WeakPolarHBondContact CB-O 3.16Å; A264-N331 CarbonylContact O-C 3.57Å; H265-N331 PolarHBondContact ND1-OD1 3.31Å; H265-N331 VanDerWaalsContact ND1-OD1 3.12Å
332T89.9Confident94.2Very high59 Ų5943.1 Ų43.136%0.36221%0.211SC..  trans-127.4140175.7-55.50000109.4A264 Q330A264-T332 CarbonylContact O-C 3.38Å; A264-T332 VanDerWaalsContact O-C 3.27Å; A264-T332 PolarHBondContact O-N 3.32Å; Q330-T332 VanDerWaalsContact C-N 3.26Å; Q330-T332 PolarHBondContact O-N 3.3Å; Q330-T332 PolarHBondContact O-OG1 3.24Å
333S90.9Very high94Very high49 Ų4945.4 Ų45.434%0.34323%0.229SC..  trans-63.7138174.460.30000111.3
334P93.8Very high93.6Very high22 Ų2248.2 Ų48.214%0.14324%0.242CC..  trans-63.1151.7177.427.1-35.5000111.2F266 R325 Y365F266-P334 HydrophobicContact CB-CG 4.32Å; R325-P334 HydrophobicContact CG-CB 3.54Å; P334-Y365 PolarHBondContact O-OH 2.97Å
335R94.6Very high93.1Very high107 Ų10750.7 Ų50.740%0.40426%0.257SS..EExtended strand (participates in β ladder)trans-120.1143.1169.6-64.1-61.1-172.2171.7-1.8110.2L326 F362L326-R335 PolarHBondContact N-O 3.3Å; L326-R335 PolarHBondContact O-N 3.3Å; R335-F362 HydrophobicContact CB-CD1 4.29Å
336L96.2Very high92.2Very high55 Ų5553 Ų5329%0.28827%0.267SS..EExtended strand (participates in β ladder)trans-78.5134.6168.9-69.2174.8000109.3L274 L363 Y365L274-L336 HydrophobicContact CD1-CD2 3.56Å; L336-L363 HydrophobicContact CB-CB 4.13Å; L336-L363 HydrophobicContact CB-CD1 4.39Å; L336-L363 PolarHBondContact O-N 2.68Å; L336-Y365 HydrophobicContact CD1-CE1 4.06Å; L336-Y365 HydrophobicContact CG-CE1 4.26Å; L336-Y365 PolarHBondContact N-OH 3.01Å
337V97.1Very high91.3Very high0 Ų055.3 Ų55.30%028%0.279CS..EExtended strand (participates in β ladder)trans-133146.7178.9-59.20000110.3M271 C324 L326 L339 V360 I361 F362M271-V337 HydrophobicContact SD-CG2 4.29Å; C324-V337 HydrophobicContact CB-CG2 3.84Å; C324-V337 PolarHBondContact N-O 3.32Å; C324-V337 PolarHBondContact O-N 2.85Å; L326-V337 HydrophobicContact CB-CG1 3.91Å; L326-V337 HydrophobicContact CB-CG2 4Å; L326-V337 HydrophobicContact CD2-CG1 4.1Å; V337-L339 HydrophobicContact CG2-CD2 4.48Å; V337-V360 HydrophobicContact CB-CG1 3.76Å; V337-V360 HydrophobicContact CG1-CG1 3.9Å; V337-V360 HydrophobicContact CG2-CG1 3.91Å; V337-I361 CarbonylContact C-O 3.56Å; V337-I361 VanDerWaalsContact CA-O 3.23Å; V337-I361 WeakPolarHBondContact CA-O 3.26Å; V337-F362 HydrophobicContact CG1-CD1 3.81Å; V337-F362 HydrophobicContact CG1-CE1 4.05Å; V337-F362 HydrophobicContact CG1-CG 4.38Å
338A97.5Very high90.3Very high0 Ų060.6 Ų60.60%032%0.323CS..EExtended strand (participates in β ladder)trans-104.9128.7168.800000109L282 M321 A322 I323 I361 L363L282-A338 HydrophobicContact CD1-CB 4.22Å; M321-A338 HydrophobicContact SD-CB 3.81Å; A322-A338 CarbonylContact O-C 3.57Å; I323-A338 HydrophobicContact CD1-CB 3.83Å; A338-I361 PolarHBondContact N-O 3.02Å; A338-I361 PolarHBondContact O-N 3.38Å; A338-L363 HydrophobicContact CB-CD1 4.22Å; A338-L363 HydrophobicContact CB-CD2 4.07Å; A338-L363 HydrophobicContact CB-CG 4.27Å
339L97.4Very high89.1Confident0 Ų063 Ų630%034%0.335CS..EExtended strand (participates in β ladder)trans-92.799.8173.5-54.3-177.3000108.1F187 M271 M294 M321 A322 C324 V337 F358 H359 V360F187-L339 HydrophobicContact CE1-CD1 4.23Å; F187-L339 HydrophobicContact CZ-CD1 3.99Å; M271-L339 HydrophobicContact CE-CD1 3.84Å; M271-L339 HydrophobicContact CE-CD2 4.35Å; M271-L339 HydrophobicContact SD-CD1 4.37Å; M271-L339 HydrophobicContact SD-CD2 4.13Å; M294-L339 HydrophobicContact CE-CD1 3.7Å; M294-L339 HydrophobicContact CE-CD2 4.14Å; M294-L339 HydrophobicContact CE-CG 4.45Å; M321-L339 VanDerWaalsContact CA-O 3.31Å; M321-L339 WeakPolarHBondContact CA-O 3.37Å; M321-L339 VanDerWaalsContact CB-O 3.29Å; M321-L339 WeakPolarHBondContact CB-O 3.34Å; A322-L339 HydrophobicContact CB-CB 4.1Å; A322-L339 HydrophobicContact CB-CD1 4.08Å; A322-L339 HydrophobicContact CB-CG 4.36Å; A322-L339 PolarHBondContact N-O 3.43Å; A322-L339 PolarHBondContact O-N 2.84Å; C324-L339 VanDerWaalsContact SG-CD1 3.5Å; V337-L339 HydrophobicContact CG2-CD2 4.48Å; L339-F358 HydrophobicContact CB-CB 4.12Å; L339-F358 HydrophobicContact CB-CD1 3.75Å; L339-F358 HydrophobicContact CB-CE1 4.49Å; L339-F358 HydrophobicContact CB-CG 4.15Å; L339-H359 WeakPolarHBondContact CA-O 3.47Å; L339-V360 HydrophobicContact CD2-CB 4.24Å; L339-V360 HydrophobicContact CD2-CG1 4.13Å; L339-V360 HydrophobicContact CD2-CG2 3.79Å
340L96.3Very high88Confident51 Ų5156.6 Ų56.627%0.26732%0.319SS..EExtended strand (participates in β ladder)trans-86.7119.1176.1-179.574.9000108.7F358 H359 I361L340-F358 CarbonylContact O-C 3.57Å; L340-F358 WeakPolarHBondContact O-CA 3.38Å; L340-H359 HydrophobicContact CB-CB 4.23Å; L340-H359 PolarHBondContact N-O 3.18Å; L340-H359 PolarHBondContact O-N 2.9Å; L340-I361 HydrophobicContact CB-CD1 3.94Å; L340-I361 HydrophobicContact CD2-CD1 3.96Å
341P96.9Very high86.8Confident18 Ų1853.5 Ų53.512%0.11731%0.31CS..EExtended strand (participates in β ladder)trans-69.3137.2-179.130.2-37.1000111.4L312 C315 L316 M320 F358L312-P341 HydrophobicContact CD1-CB 3.59Å; C315-P341 HydrophobicContact CB-CB 3.93Å; C315-P341 HydrophobicContact CB-CG 3.88Å; L316-P341 HydrophobicContact CD2-CB 3.77Å; L316-P341 HydrophobicContact CD2-CG 4.03Å; L316-P341 HydrophobicContact CG-CB 3.91Å; L316-P341 HydrophobicContact CG-CG 4.42Å; M320-P341 WeakPolarHBondContact O-CD 3.44Å; M320-P341 WeakPolarHBondContact O-CG 3.41Å; P341-F358 HydrophobicContact CB-CD1 4.07Å; P341-F358 HydrophobicContact CB-CE1 3.8Å
342Q94.8Very high86Confident35 Ų3553.4 Ų53.416%0.16431%0.307CS..EExtended strand (participates in β ladder)trans-118.5126.4173176.4165.6-75.500109.7D354 S355 G357 H359Q342-D354 HydrophobicContact CG-CB 4.17Å; Q342-S355 PolarHBondContact NE2-O 3.37Å; Q342-G357 PolarHBondContact N-O 3.5Å; Q342-G357 PolarHBondContact O-N 2.85Å; Q342-H359 PolarHBondContact OE1-NE2 2.72Å
343A93.1Very high85.4Confident47 Ų4756.6 Ų56.639%0.38832%0.32SS..  trans-80.3152169.700000109.8L316L316-A343 HydrophobicContact CD1-CB 3.91Å; L316-A343 HydrophobicContact CD2-CB 4.33Å
344E90.1Very high85.1Confident80 Ų8057.4 Ų57.437%0.37432%0.32SS..  trans-69.6134.8173-174170.4-123.500110.7Y346 Q352 D354 P356E344-Y346 HydrophobicContact CG-CD2 4.42Å; E344-Y346 HydrophobicContact CG-CE2 3.66Å; E344-Y346 PolarHBondContact OE1-OH 3.47Å; E344-Y346 PolarHBondContact OE2-OH 2.96Å; E344-Q352 HydrophobicContact CG-CG 4.23Å; E344-Q352 PolarHBondContact OE1-NE2 3.48Å; E344-D354 VanDerWaalsContact CA-O 3.27Å; E344-D354 WeakPolarHBondContact CA-O 3.24Å; E344-P356 HydrophobicContact CB-CB 4.12Å; E344-P356 HydrophobicContact CB-CG 4.26Å; E344-P356 WeakPolarHBondContact OE1-CD 3.34Å
345T86.4Confident84.7Confident53 Ų5358.1 Ų58.133%0.32533%0.326SS..EExtended strand (participates in β ladder)trans-130.4146.4175.171.20000110.2M353 D354T345-M353 PolarHBondContact O-N 2.73Å; T345-D354 HydrophobicContact CG2-CB 4.24Å; T345-D354 PolarHBondContact N-O 3.46Å; T345-D354 VanDerWaalsContact N-O 3.12Å; T345-D354 PolarHBondContact O-N 2.82Å; T345-D354 WeakPolarHBondContact OG1-CB 3.34Å; T345-D354 VanDerWaalsContact OG1-CG 3.25Å; T345-D354 PolarHBondContact OG1-N 2.76Å; T345-D354 PolarHBondContact OG1-OD2 3.11Å
346Y78.5Confident84.6Confident131 Ų13154.6 Ų54.651%0.51432%0.317SS..EExtended strand (participates in β ladder)trans-118.7146.9178.2-62.1-92.2000108.8E344 G350 V351 Q352E344-Y346 HydrophobicContact CG-CD2 4.42Å; E344-Y346 HydrophobicContact CG-CE2 3.66Å; E344-Y346 PolarHBondContact OE1-OH 3.47Å; E344-Y346 PolarHBondContact OE2-OH 2.96Å; Y346-G350 WeakPolarHBondContact CD1-O 3.5Å; Y346-V351 CarbonylContact C-O 3.56Å; Y346-V351 WeakPolarHBondContact CA-O 3.37Å; Y346-Q352 HydrophobicContact CD1-CB 4.2Å; Y346-Q352 HydrophobicContact CE1-CB 4.09Å; Y346-Q352 HydrophobicContact CE1-CG 4.41Å
347D75.7Confident84.6Confident56 Ų5652 Ų5230%0.29930%0.303SS..  trans-75.5-178.3170.675.5-2.9000111.6T349 G350 V351 M353D347-T349 PolarHBondContact O-N 3.24Å; D347-T349 WeakPolarHBondContact OD1-CA 3.47Å; D347-T349 PolarHBondContact OD1-N 3.34Å; D347-T349 PolarHBondContact OD1-OG1 3.12Å; D347-T349 PolarHBondContact OD2-OG1 3.5Å; D347-G350 PolarHBondContact O-N 2.94Å; D347-G350 PolarHBondContact OD1-N 3.37Å; D347-V351 PolarHBondContact N-O 2.82Å; D347-V351 PolarHBondContact OD1-N 2.96Å; D347-M353 HydrophobicContact CB-CG 3.67Å; D347-M353 HydrophobicContact CB-SD 4Å
348A73.4Confident84.6Confident113 Ų11352 Ų5293%0.93430%0.303SS*.THydrogen-bonded Turntrans-67.5-16.6176.500000113.6
349T62.9Low84.5Confident83 Ų8354 Ų5451%0.50931%0.312SS..THydrogen-bonded Turntrans-92.5-10.3-178.773.50000113.2K159 D347 V351K159-T349 PolarHBondContact NZ-O 3.41Å; D347-T349 PolarHBondContact O-N 3.24Å; D347-T349 WeakPolarHBondContact OD1-CA 3.47Å; D347-T349 PolarHBondContact OD1-N 3.34Å; D347-T349 PolarHBondContact OD1-OG1 3.12Å; D347-T349 PolarHBondContact OD2-OG1 3.5Å; T349-V351 WeakPolarHBondContact OG1-CG2 3.32Å
350G63.8Low84.5Confident28 Ų2854 Ų5429%0.28931%0.312SS..SBendtrans95.82.9-176.400000113.4Y346 D347Y346-G350 WeakPolarHBondContact CD1-O 3.5Å; D347-G350 PolarHBondContact O-N 2.94Å; D347-G350 PolarHBondContact OD1-N 3.37Å
351V64.8Low84.5Confident76 Ų7653.4 Ų53.446%0.46131%0.309SS..  trans-79.6130.4177.8178.80000109.7Y346 D347 T349 M353Y346-V351 CarbonylContact C-O 3.56Å; Y346-V351 WeakPolarHBondContact CA-O 3.37Å; D347-V351 PolarHBondContact N-O 2.82Å; D347-V351 PolarHBondContact OD1-N 2.96Å; T349-V351 WeakPolarHBondContact OG1-CG2 3.32Å; V351-M353 PolarHBondContact O-N 3.08Å
352Q72.2Confident84.5Confident58 Ų5853.6 Ų53.627%0.27131%0.308SS..EExtended strand (participates in β ladder)trans-63.7116.5176.3-170.1-170.432.900110.5E344 Y346E344-Q352 HydrophobicContact CG-CG 4.23Å; E344-Q352 PolarHBondContact OE1-NE2 3.48Å; Y346-Q352 HydrophobicContact CD1-CB 4.2Å; Y346-Q352 HydrophobicContact CE1-CB 4.09Å; Y346-Q352 HydrophobicContact CE1-CG 4.41Å
353M76.6Confident84.5Confident127 Ų12753.6 Ų53.663%0.62631%0.309SS*.EExtended strand (participates in β ladder)trans-89.2-51.7177.4-69.8-65.3-68.400111.1T345 D347 V351T345-M353 PolarHBondContact O-N 2.73Å; D347-M353 HydrophobicContact CB-CG 3.67Å; D347-M353 HydrophobicContact CB-SD 4Å; V351-M353 PolarHBondContact O-N 3.08Å
354D84.7Confident84.7Confident66 Ų6652.6 Ų52.635%0.35330%0.299SS..EExtended strand (participates in β ladder)trans-112.5124.4178.1-66.1-52.1000109.9Q342 E344 T345Q342-D354 HydrophobicContact CG-CB 4.17Å; E344-D354 VanDerWaalsContact CA-O 3.27Å; E344-D354 WeakPolarHBondContact CA-O 3.24Å; T345-D354 HydrophobicContact CG2-CB 4.24Å; T345-D354 PolarHBondContact N-O 3.46Å; T345-D354 VanDerWaalsContact N-O 3.12Å; T345-D354 PolarHBondContact O-N 2.82Å; T345-D354 WeakPolarHBondContact OG1-CB 3.34Å; T345-D354 VanDerWaalsContact OG1-CG 3.25Å; T345-D354 PolarHBondContact OG1-N 2.76Å; T345-D354 PolarHBondContact OG1-OD2 3.11Å
355S86.9Confident84.9Confident37 Ų3752.2 Ų52.226%0.25929%0.294SS..  trans-76.5149.2173.6-53.60000112.1F293 Q342 G357F293-S355 WeakPolarHBondContact CZ-O 3.42Å; Q342-S355 PolarHBondContact NE2-O 3.37Å; S355-G357 PolarHBondContact O-N 2.65Å
356P92.3Very high85.3Confident33 Ų3353.7 Ų53.721%0.21431%0.311CS..SBendtrans-71.1129.4174.227.2-31.3000110.9L312 E344L312-P356 HydrophobicContact CD2-CB 4.09Å; E344-P356 HydrophobicContact CB-CB 4.12Å; E344-P356 HydrophobicContact CB-CG 4.26Å; E344-P356 WeakPolarHBondContact OE1-CD 3.34Å
357G95.2Very high86Confident0 Ų054.6 Ų54.60%033%0.325CS..EExtended strand (participates in β ladder)trans167.6-158.6-179.200000114.5L312 Q342 S355L312-G357 VanDerWaalsContact CD1-O 3.24Å; L312-G357 WeakPolarHBondContact CD1-O 3.5Å; Q342-G357 PolarHBondContact N-O 3.5Å; Q342-G357 PolarHBondContact O-N 2.85Å; S355-G357 PolarHBondContact O-N 2.65Å
358F96.9Very high86.9Confident0 Ų055 Ų550%033%0.328CS..EExtended strand (participates in β ladder)trans-124.4132.1175.4-67.9-91.4000111.6M294 F308 L311 L312 C315 L339 L340 P341 V360M294-F358 HydrophobicContact CB-CB 4.35Å; M294-F358 HydrophobicContact CE-CB 3.7Å; M294-F358 HydrophobicContact CE-CD2 3.52Å; M294-F358 HydrophobicContact CE-CE2 4.37Å; M294-F358 HydrophobicContact CE-CG 3.82Å; M294-F358 PolarHBondContact N-O 2.68Å; M294-F358 PolarHBondContact O-N 3.12Å; F308-F358 HydrophobicContact CE1-CD2 4.06Å; F308-F358 HydrophobicContact CE1-CE2 4.13Å; F308-F358 AromaticContact CE2-CD2 3.84Å; F308-F358 HydrophobicContact CE2-CD2 3.84Å; F308-F358 HydrophobicContact CE2-CE2 4.19Å; F308-F358 AromaticContact CZ-CD2 3.48Å; F308-F358 HydrophobicContact CZ-CD2 3.48Å; F308-F358 VanDerWaalsContact CZ-CD2 3.48Å; F308-F358 AromaticContact CZ-CE2 3.93Å; F308-F358 HydrophobicContact CZ-CE2 3.93Å; L311-F358 HydrophobicContact CD2-CE2 4.38Å; L311-F358 HydrophobicContact CD2-CZ 4.17Å; L311-F358 HydrophobicContact CG-CE2 4.48Å; L311-F358 HydrophobicContact CG-CZ 3.95Å; L312-F358 HydrophobicContact CB-CE2 3.96Å; L312-F358 HydrophobicContact CB-CZ 4.01Å; L312-F358 HydrophobicContact CD1-CD2 4.48Å; L312-F358 HydrophobicContact CD1-CE1 4.24Å; L312-F358 HydrophobicContact CD1-CE2 4.1Å; L312-F358 HydrophobicContact CD1-CZ 3.98Å; C315-F358 HydrophobicContact CB-CE1 4.18Å; L339-F358 HydrophobicContact CB-CB 4.12Å; L339-F358 HydrophobicContact CB-CD1 3.75Å; L339-F358 HydrophobicContact CB-CE1 4.49Å; L339-F358 HydrophobicContact CB-CG 4.15Å; L340-F358 CarbonylContact O-C 3.57Å; L340-F358 WeakPolarHBondContact O-CA 3.38Å; P341-F358 HydrophobicContact CB-CD1 4.07Å; P341-F358 HydrophobicContact CB-CE1 3.8Å; F358-V360 PolarHBondContact O-N 3.14Å
359H96.2Very high87.8Confident41 Ų4154.2 Ų54.219%0.1931%0.307CS..EExtended strand (participates in β ladder)trans-76.3121.7163.3-70.2-70.5000109.8L292 L339 L340 Q342 I361L292-H359 CarbonylContact O-C 3.45Å; L339-H359 WeakPolarHBondContact CA-O 3.47Å; L340-H359 HydrophobicContact CB-CB 4.23Å; L340-H359 PolarHBondContact N-O 3.18Å; L340-H359 PolarHBondContact O-N 2.9Å; Q342-H359 PolarHBondContact OE1-NE2 2.72Å; H359-I361 HydrophobicContact CB-CD1 4.37Å; H359-I361 HydrophobicContact CB-CG1 4.2Å; H359-I361 PolarHBondContact O-N 3.03Å
360V96.5Very high89.1Confident0 Ų060.8 Ų60.80%032%0.323CS..EExtended strand (participates in β ladder)trans-90.295.3176.1-171.10000108.4F199 A291 L292 M294 L326 V337 L339 F358F199-V360 HydrophobicContact CD1-CG2 3.83Å; F199-V360 HydrophobicContact CE1-CG2 3.73Å; A291-V360 VanDerWaalsContact CA-O 3.28Å; A291-V360 WeakPolarHBondContact CA-O 3.46Å; A291-V360 WeakPolarHBondContact CB-O 3.18Å; L292-V360 HydrophobicContact CB-CB 4.06Å; L292-V360 HydrophobicContact CB-CG2 4.32Å; L292-V360 PolarHBondContact N-O 2.79Å; L292-V360 VanDerWaalsContact N-O 3.11Å; L292-V360 PolarHBondContact O-N 3.33Å; M294-V360 HydrophobicContact CB-CG2 3.8Å; L326-V360 HydrophobicContact CD2-CG1 4.32Å; V337-V360 HydrophobicContact CB-CG1 3.76Å; V337-V360 HydrophobicContact CG1-CG1 3.9Å; V337-V360 HydrophobicContact CG2-CG1 3.91Å; L339-V360 HydrophobicContact CD2-CB 4.24Å; L339-V360 HydrophobicContact CD2-CG1 4.13Å; L339-V360 HydrophobicContact CD2-CG2 3.79Å; F358-V360 PolarHBondContact O-N 3.14Å
361I96.8Very high90.2Very high39 Ų3965.8 Ų65.820%0.234%0.343CS..EExtended strand (participates in β ladder)trans-95.8121.2-176.1-60.1173.5000109.1L282 A291 V337 A338 L340 H359 L363L282-I361 HydrophobicContact CD1-CG2 4.3Å; L282-I361 HydrophobicContact CD2-CD1 3.5Å; L282-I361 VanDerWaalsContact CD2-CD1 3.5Å; A291-I361 HydrophobicContact CB-CG1 4.13Å; V337-I361 CarbonylContact C-O 3.56Å; V337-I361 VanDerWaalsContact CA-O 3.23Å; V337-I361 WeakPolarHBondContact CA-O 3.26Å; A338-I361 PolarHBondContact N-O 3.02Å; A338-I361 PolarHBondContact O-N 3.38Å; L340-I361 HydrophobicContact CB-CD1 3.94Å; L340-I361 HydrophobicContact CD2-CD1 3.96Å; H359-I361 HydrophobicContact CB-CD1 4.37Å; H359-I361 HydrophobicContact CB-CG1 4.2Å; H359-I361 PolarHBondContact O-N 3.03Å; I361-L363 PolarHBondContact O-N 3.32Å
362F96.3Very high91.1Very high22 Ų2267.2 Ų67.210%0.09635%0.347CS..EExtended strand (participates in β ladder)trans-73127.3179.5-65.9-90.5000111.2R289 N290 L292 L326 R335 V337R289-F362 HydrophobicContact CG-CB 3.94Å; R289-F362 HydrophobicContact CG-CD1 4.49Å; R289-F362 HydrophobicContact CG-CD2 3.44Å; R289-F362 VanDerWaalsContact CG-CD2 3.44Å; R289-F362 HydrophobicContact CG-CE2 4.04Å; R289-F362 HydrophobicContact CG-CG 3.7Å; N290-F362 WeakPolarHBondContact O-CE2 3.49Å; L292-F362 HydrophobicContact CD1-CE2 4.36Å; L292-F362 HydrophobicContact CD1-CZ 4Å; L292-F362 HydrophobicContact CG-CE2 4.08Å; L292-F362 HydrophobicContact CG-CZ 4.23Å; L326-F362 HydrophobicContact CD2-CE1 4.17Å; L326-F362 HydrophobicContact CD2-CZ 4.39Å; R335-F362 HydrophobicContact CB-CD1 4.29Å; V337-F362 HydrophobicContact CG1-CD1 3.81Å; V337-F362 HydrophobicContact CG1-CE1 4.05Å; V337-F362 HydrophobicContact CG1-CG 4.38Å
363L96.4Very high91.5Very high35 Ų3565.7 Ų65.718%0.18335%0.347CS..PPolyproline II helixtrans-96.4139.1-179.6-61.1178.7000111.3L282 I323 L336 A338 I361L282-L363 HydrophobicContact CD1-CD2 3.74Å; I323-L363 HydrophobicContact CD1-CD1 4.16Å; L336-L363 HydrophobicContact CB-CB 4.13Å; L336-L363 HydrophobicContact CB-CD1 4.39Å; L336-L363 PolarHBondContact O-N 2.68Å; A338-L363 HydrophobicContact CB-CD1 4.22Å; A338-L363 HydrophobicContact CB-CD2 4.07Å; A338-L363 HydrophobicContact CB-CG 4.27Å; I361-L363 PolarHBondContact O-N 3.32Å
364P96.3Very high91.3Very high27 Ų2765 Ų6518%0.17536%0.355CS..PPolyproline II helixtrans-73.8141.1-178.226.4-32.2000111.3H286 I288 D368 L369H286-P364 HydrophobicContact CB-CG 3.93Å; H286-P364 WeakPolarHBondContact O-CD 3.45Å; I288-P364 HydrophobicContact CD1-CB 3.67Å; I288-P364 HydrophobicContact CD1-CG 4.47Å; I288-P364 HydrophobicContact CG1-CB 3.98Å; P364-D368 HydrophobicContact CB-CB 3.77Å; P364-L369 HydrophobicContact CB-CD2 4.12Å; P364-L369 HydrophobicContact CB-CG 4.46Å; P364-L369 HydrophobicContact CG-CD2 4.02Å
365Y95.1Very high90.7Very high72 Ų7266.2 Ų66.228%0.28236%0.36SS..PPolyproline II helixtrans-78.3169.8161.3-73.5-78.8000110.1P334 L336 D367 D368P334-Y365 PolarHBondContact O-OH 2.97Å; L336-Y365 HydrophobicContact CD1-CE1 4.06Å; L336-Y365 HydrophobicContact CG-CE1 4.26Å; L336-Y365 PolarHBondContact N-OH 3.01Å; Y365-D367 PolarHBondContact O-N 2.78Å; Y365-D368 PolarHBondContact N-OD2 3.04Å; Y365-D368 WeakPolarHBondContact O-CB 2.99Å; Y365-D368 PolarHBondContact O-N 2.84Å
366A94.5Very high89.5Confident83 Ų8371.8 Ų71.869%0.68638%0.38SS*.G310 helixtrans-56.1-36.2177.500000112.1D368 L369A366-D368 VanDerWaalsContact C-N 3.27Å; A366-D368 PolarHBondContact O-N 3.01Å; A366-L369 PolarHBondContact O-N 3.42Å
367D93.3Very high87.9Confident150 Ų15077.5 Ų77.580%0.80241%0.408SS*.G310 helixtrans-68.3-23.2179.7-53.8-61.7000113.7Y365 L369Y365-D367 PolarHBondContact O-N 2.78Å; D367-L369 VanDerWaalsContact C-N 3.33Å
368D93.5Very high86.4Confident65 Ų6583 Ų8335%0.34844%0.437SS..G310 helixtrans-79.7-19.7178.8-59.5-50.6000111.6P364 Y365 A366P364-D368 HydrophobicContact CB-CB 3.77Å; Y365-D368 PolarHBondContact N-OD2 3.04Å; Y365-D368 WeakPolarHBondContact O-CB 2.99Å; Y365-D368 PolarHBondContact O-N 2.84Å; A366-D368 VanDerWaalsContact C-N 3.27Å; A366-D368 PolarHBondContact O-N 3.01Å
369L92.3Very high84.6Confident97 Ų9792.2 Ų92.251%0.50848%0.477SS..SBendtrans-85.6122.3-178.8-60.6176.8000110.8P364 A366 D367P364-L369 HydrophobicContact CB-CD2 4.12Å; P364-L369 HydrophobicContact CB-CG 4.46Å; P364-L369 HydrophobicContact CG-CD2 4.02Å; A366-L369 PolarHBondContact O-N 3.42Å; D367-L369 VanDerWaalsContact C-N 3.33Å
370R90.4Very high83Confident221 Ų221100.7 Ų100.783%0.83451%0.507SS*.PPolyproline II helixtrans-85127.7177.8-60.2-64.2-174.4168.7-0.7110.9L372R370-L372 PolarHBondContact O-N 2.58Å
371D86.5Confident81.5Confident132 Ų132109.5 Ų109.571%0.70655%0.548SS*.PPolyproline II helixtrans-71.2127.5173.2-175.420000111G373D371-G373 PolarHBondContact OD1-N 3.48Å
372L84.4Confident79.9Confident107 Ų107113.6 Ų113.656%0.5658%0.575SS**  trans-105.521.7177.8-57.7178.1000111.7R370 S374 I375R370-L372 PolarHBondContact O-N 2.58Å; L372-S374 PolarHBondContact O-N 2.92Å; L372-S374 VanDerWaalsContact O-N 3.11Å; L372-I375 HydrophobicContact CB-CD1 4.45Å; L372-I375 HydrophobicContact CD2-CD1 4.22Å; L372-I375 PolarHBondContact O-N 3.01Å
373G79.8Confident78.4Confident26 Ų26114.9 Ų114.927%0.26859%0.59SS.*G310 helixtrans-50.4-34.5-176.700000115.1D371 I375 K376D371-G373 PolarHBondContact OD1-N 3.48Å; G373-I375 PolarHBondContact O-N 3.19Å; G373-K376 PolarHBondContact O-N 2.9Å
374S72.9Confident77Confident113 Ų113119.4 Ų119.479%0.7961%0.614SS**G310 helixtrans-65.7-21.4177.252.40000114.3L372L372-S374 PolarHBondContact O-N 2.92Å; L372-S374 VanDerWaalsContact O-N 3.11Å
375I72.5Confident75.5Confident90 Ų90123.3 Ų123.346%0.46263%0.634SS.*G310 helixtrans-94.3-13.6-176.8-53.8174.6000111.3L372 G373 N377 I378L372-I375 HydrophobicContact CB-CD1 4.45Å; L372-I375 HydrophobicContact CD2-CD1 4.22Å; L372-I375 PolarHBondContact O-N 3.01Å; G373-I375 PolarHBondContact O-N 3.19Å; I375-N377 PolarHBondContact O-N 3.06Å; I375-N377 VanDerWaalsContact O-N 3.1Å; I375-I378 HydrophobicContact CG2-CD1 4.04Å; I375-I378 PolarHBondContact O-N 3.37Å
376K61.5Low74Confident155 Ų155126.5 Ų126.567%0.67466%0.656SS**THydrogen-bonded Turntrans-64.3-19.2-172.7-69.3-179.3-177166.70114.7G373 I378G373-K376 PolarHBondContact O-N 2.9Å; K376-I378 VanDerWaalsContact C-N 3.27Å; K376-I378 PolarHBondContact O-N 2.93Å
377N58.5Low73.3Confident152 Ų152125.7 Ų125.781%0.81364%0.64SS**THydrogen-bonded Turntrans-81.7-4.6-178.9-66.3-12.4000113.7I375 K379I375-N377 PolarHBondContact O-N 3.06Å; I375-N377 VanDerWaalsContact O-N 3.1Å; N377-K379 PolarHBondContact O-N 2.96Å
378I63.9Low72.7Confident117 Ų117125.6 Ų125.660%0.663%0.633SS**SBendtrans-78.8104.4171.4-54.6177.3000106.9I375 K376 R380I375-I378 HydrophobicContact CG2-CD1 4.04Å; I375-I378 PolarHBondContact O-N 3.37Å; K376-I378 VanDerWaalsContact C-N 3.27Å; K376-I378 PolarHBondContact O-N 2.93Å; I378-R380 PolarHBondContact O-N 2.85Å
379K59.7Low72.3Confident193 Ų193124.7 Ų124.784%0.83963%0.627SS**  trans-55.7108164.6-76-176.1179.3179.30106.7N377 E381N377-K379 PolarHBondContact O-N 2.96Å; K379-E381 PolarHBondContact O-N 2.83Å
380R63Low71.9Confident218 Ų218121.7 Ų121.782%0.82361%0.613SS**  trans-69.1105.2169.9-68.1-178.4-178.9172.5-1.5105.9I378 T382I378-R380 PolarHBondContact O-N 2.85Å; R380-T382 PolarHBondContact O-N 3.5Å
381E63.1Low71.7Confident186 Ų186115.3 Ų115.387%0.86959%0.593SS**  trans-66.1104.4166-69178.8177.800106.5K379 A383K379-E381 PolarHBondContact O-N 2.83Å; E381-A383 PolarHBondContact O-N 3.41Å
382T64.4Low71.6Confident125 Ų125109.4 Ų109.477%0.76756%0.562SS**  trans-77.6108.8168.147.80000106.7R380R380-T382 PolarHBondContact O-N 3.5Å
383A63.6Low71.7Confident49 Ų49108 Ų10841%0.40555%0.553SS.*  trans-65.6134.6168.500000109.2E381 D387 V390E381-A383 PolarHBondContact O-N 3.41Å; A383-D387 HydrophobicContact CB-CB 3.94Å; A383-D387 WeakPolarHBondContact CB-OD2 3.37Å; A383-V390 HydrophobicContact CB-CG2 3.72Å
384D67.9Low72.1Confident129 Ų129111 Ų11169%0.6956%0.559SS**  trans-63.6153.7171.1-77.8-28000110N386 D387D384-N386 PolarHBondContact O-N 2.73Å; D384-D387 VanDerWaalsContact O-CB 3.22Å; D384-D387 WeakPolarHBondContact O-CB 3.4Å; D384-D387 PolarHBondContact O-N 2.84Å
385D63.6Low72.7Confident110 Ų110111.1 Ų111.159%0.58855%0.547SS*.THydrogen-bonded Turntrans-57.7-19.2177.3-87.7-33.2000113.9D387 K394D385-D387 VanDerWaalsContact C-N 3.31Å; D385-K394 IonicContact OD1-NZ 3.19Å; D385-K394 PolarHBondContact OD1-NZ 3.07Å
386N64.3Low73.4Confident139 Ų139109 Ų10974%0.74354%0.535SS*.THydrogen-bonded Turntrans-82.9-4.8175.9-74.8-22.3000113.7D384 K388D384-N386 PolarHBondContact O-N 2.73Å; N386-K388 PolarHBondContact O-N 3.3Å
387D79.2Confident74.7Confident66 Ų66105.8 Ų105.835%0.35353%0.527SS..  trans-64.4127.4175.3-166.4-9.6000109.6A383 D384 D385 L389 V390 Q391A383-D387 HydrophobicContact CB-CB 3.94Å; A383-D387 WeakPolarHBondContact CB-OD2 3.37Å; D384-D387 VanDerWaalsContact O-CB 3.22Å; D384-D387 WeakPolarHBondContact O-CB 3.4Å; D384-D387 PolarHBondContact O-N 2.84Å; D385-D387 VanDerWaalsContact C-N 3.31Å; D387-L389 PolarHBondContact O-N 2.86Å; D387-L389 VanDerWaalsContact O-N 3.12Å; D387-L389 PolarHBondContact OD1-N 2.86Å; D387-V390 HydrophobicContact CB-CB 4.37Å; D387-V390 HydrophobicContact CB-CG2 4.07Å; D387-V390 PolarHBondContact O-N 2.96Å; D387-Q391 PolarHBondContact O-N 3.14Å
388K82Confident76.1Confident148 Ų148105.2 Ų105.264%0.64352%0.524SS*.Hα-helixtrans-55.5-32.8179.4-68.3-178.6179.3178.70110.7N386 Q391 S392 L459N386-K388 PolarHBondContact O-N 3.3Å; K388-Q391 PolarHBondContact O-N 3.39Å; K388-S392 WeakPolarHBondContact O-CB 3.42Å; K388-S392 PolarHBondContact O-N 2.88Å; K388-L459 HydrophobicContact CB-CD1 4.37Å; K388-L459 HydrophobicContact CB-CD2 4.25Å
389L83.8Confident77.1Confident45 Ų45105.7 Ų105.724%0.23652%0.522CS..Hα-helixtrans-64.2-48.1177.1-167.180.2000112.1D387 Q391 S392 M393 F456 L459 M460D387-L389 PolarHBondContact O-N 2.86Å; D387-L389 VanDerWaalsContact O-N 3.12Å; D387-L389 PolarHBondContact OD1-N 2.86Å; L389-Q391 VanDerWaalsContact C-N 3.32Å; L389-Q391 PolarHBondContact O-N 3.26Å; L389-S392 PolarHBondContact O-N 3.21Å; L389-M393 PolarHBondContact O-N 2.69Å; L389-F456 HydrophobicContact CD1-CD2 3.99Å; L389-F456 HydrophobicContact CD1-CE2 3.47Å; L389-F456 VanDerWaalsContact CD1-CE2 3.47Å; L389-F456 HydrophobicContact CD1-CZ 3.87Å; L389-F456 HydrophobicContact CG-CE2 3.76Å; L389-F456 HydrophobicContact CG-CZ 4.25Å; L389-L459 HydrophobicContact CD1-CB 4.05Å; L389-M460 HydrophobicContact CD1-CG 3.57Å; L389-M460 HydrophobicContact CD1-SD 3.36Å; L389-M460 WeakPolarHBondContact CD1-SD 3.39Å; L389-M460 HydrophobicContact CD2-SD 3.57Å; L389-M460 VanDerWaalsContact CD2-SD 3.57Å; L389-M460 HydrophobicContact CG-SD 4.06Å
390V85.6Confident78.3Confident35 Ų35101.3 Ų101.321%0.21250%0.503CS..Hα-helixtrans-64-40.9178.6174.80000110.2A383 D387 M393 K394A383-V390 HydrophobicContact CB-CG2 3.72Å; D387-V390 HydrophobicContact CB-CB 4.37Å; D387-V390 HydrophobicContact CB-CG2 4.07Å; D387-V390 PolarHBondContact O-N 2.96Å; V390-M393 PolarHBondContact O-N 3.25Å; V390-K394 HydrophobicContact CG1-CD 4.14Å; V390-K394 HydrophobicContact CG1-CG 4.42Å; V390-K394 WeakPolarHBondContact O-CB 3.28Å; V390-K394 WeakPolarHBondContact O-CG 3.24Å; V390-K394 PolarHBondContact O-N 3.13Å
391Q84.5Confident79.2Confident86 Ų8695.2 Ų95.240%0.40249%0.494SS..Hα-helixtrans-64.7-42.8176.9-67.5-178.23.400112.4D387 K388 L389 M393 K394 Q395D387-Q391 PolarHBondContact O-N 3.14Å; K388-Q391 PolarHBondContact O-N 3.39Å; L389-Q391 VanDerWaalsContact C-N 3.32Å; L389-Q391 PolarHBondContact O-N 3.26Å; Q391-M393 VanDerWaalsContact C-N 3.35Å; Q391-K394 PolarHBondContact O-N 3.11Å; Q391-Q395 WeakPolarHBondContact O-CG 3.44Å; Q391-Q395 PolarHBondContact O-N 3.25Å
392S84.7Confident79.8Confident9 Ų990.3 Ų90.36%0.06348%0.478CS..Hα-helixtrans-61.3-43.7175.1-177.80000111.4K388 L389 Q395 F396K388-S392 WeakPolarHBondContact O-CB 3.42Å; K388-S392 PolarHBondContact O-N 2.88Å; L389-S392 PolarHBondContact O-N 3.21Å; S392-Q395 WeakPolarHBondContact O-CB 3.43Å; S392-Q395 PolarHBondContact O-N 3.08Å; S392-F396 PolarHBondContact O-N 3.41Å
393M87Confident80.3Confident76 Ų7689.6 Ų89.637%0.37448%0.479SS..Hα-helixtrans-66.1-40.3175.9-173.957.264.500112.4L389 V390 Q391 Q395 F396 V397 F456L389-M393 PolarHBondContact O-N 2.69Å; V390-M393 PolarHBondContact O-N 3.25Å; Q391-M393 VanDerWaalsContact C-N 3.35Å; M393-Q395 VanDerWaalsContact C-N 3.31Å; M393-Q395 PolarHBondContact O-N 2.91Å; M393-F396 WeakPolarHBondContact O-CB 3.45Å; M393-F396 PolarHBondContact O-N 2.7Å; M393-F396 VanDerWaalsContact O-N 3.17Å; M393-F396 HydrophobicContact SD-CD1 4.08Å; M393-V397 HydrophobicContact CG-CG2 4.48Å; M393-V397 WeakPolarHBondContact O-CG2 3.29Å; M393-V397 PolarHBondContact O-N 3.23Å; M393-V397 HydrophobicContact SD-CG2 4.38Å; M393-F456 HydrophobicContact CB-CE2 4.25Å; M393-F456 HydrophobicContact CE-CD2 4.06Å; M393-F456 HydrophobicContact CE-CE1 4.01Å; M393-F456 HydrophobicContact CE-CE2 3.44Å; M393-F456 VanDerWaalsContact CE-CE2 3.44Å; M393-F456 HydrophobicContact CE-CZ 3.42Å; M393-F456 VanDerWaalsContact CE-CZ 3.42Å
394K87.7Confident80.8Confident90 Ų9091.3 Ų91.339%0.39148%0.475SS..Hα-helixtrans-60-41.2173.3-77.2175.3-179172.80111.5D385 V390 Q391 F396 V397 N398D385-K394 IonicContact OD1-NZ 3.19Å; D385-K394 PolarHBondContact OD1-NZ 3.07Å; V390-K394 HydrophobicContact CG1-CD 4.14Å; V390-K394 HydrophobicContact CG1-CG 4.42Å; V390-K394 WeakPolarHBondContact O-CB 3.28Å; V390-K394 WeakPolarHBondContact O-CG 3.24Å; V390-K394 PolarHBondContact O-N 3.13Å; Q391-K394 PolarHBondContact O-N 3.11Å; K394-F396 VanDerWaalsContact C-N 3.34Å; K394-V397 PolarHBondContact O-N 2.94Å; K394-N398 WeakPolarHBondContact O-CB 3.47Å; K394-N398 PolarHBondContact O-N 3.45Å; K394-N398 PolarHBondContact O-ND2 3.47Å
395Q86.6Confident81.4Confident115 Ų11588.4 Ų88.454%0.53746%0.464SS..Hα-helixtrans-63.2-40174.6-72.2177.74.600112.1Q391 S392 M393 K399 L452Q391-Q395 WeakPolarHBondContact O-CG 3.44Å; Q391-Q395 PolarHBondContact O-N 3.25Å; S392-Q395 WeakPolarHBondContact O-CB 3.43Å; S392-Q395 PolarHBondContact O-N 3.08Å; M393-Q395 VanDerWaalsContact C-N 3.31Å; M393-Q395 PolarHBondContact O-N 2.91Å; Q395-K399 WeakPolarHBondContact O-CG 3.49Å; Q395-K399 PolarHBondContact O-N 2.98Å; Q395-L452 HydrophobicContact CB-CD2 4.12Å
396F87.3Confident82Confident47 Ų4790.8 Ų90.821%0.20648%0.475CS..Hα-helixtrans-62.6-51.9174.4177.1-96.4000111.4S392 M393 K394 N398 K399 F400 Y449 L453S392-F396 PolarHBondContact O-N 3.41Å; M393-F396 WeakPolarHBondContact O-CB 3.45Å; M393-F396 PolarHBondContact O-N 2.7Å; M393-F396 VanDerWaalsContact O-N 3.17Å; M393-F396 HydrophobicContact SD-CD1 4.08Å; K394-F396 VanDerWaalsContact C-N 3.34Å; F396-N398 VanDerWaalsContact C-N 3.32Å; F396-N398 PolarHBondContact O-N 3.06Å; F396-K399 CarbonylContact O-C 3.58Å; F396-K399 PolarHBondContact O-N 3.4Å; F396-K399 VanDerWaalsContact O-N 3.1Å; F396-F400 HydrophobicContact CE1-CB 4.49Å; F396-F400 HydrophobicContact CE1-CD2 4.33Å; F396-F400 HydrophobicContact CZ-CD2 4.12Å; F396-F400 WeakPolarHBondContact O-CB 3.35Å; F396-F400 PolarHBondContact O-N 3.07Å; F396-Y449 HydrophobicContact CD2-CD1 4.21Å; F396-Y449 HydrophobicContact CD2-CG 4.29Å; F396-Y449 HydrophobicContact CE2-CD1 4.06Å; F396-Y449 HydrophobicContact CE2-CD2 4.24Å; F396-Y449 AromaticContact CE2-CG 3.77Å; F396-Y449 HydrophobicContact CE2-CG 3.77Å; F396-L453 HydrophobicContact CD2-CD2 4.29Å; F396-L453 HydrophobicContact CE2-CD2 3.97Å; F396-L453 HydrophobicContact CE2-CG 4.39Å
397V87.7Confident82.7Confident86 Ų8688 Ų8852%0.52148%0.479SS..Hα-helixtrans-60-40.7-179.9173.70000111.9M393 K394 K399 F400M393-V397 HydrophobicContact CG-CG2 4.48Å; M393-V397 WeakPolarHBondContact O-CG2 3.29Å; M393-V397 PolarHBondContact O-N 3.23Å; M393-V397 HydrophobicContact SD-CG2 4.38Å; K394-V397 PolarHBondContact O-N 2.94Å; V397-K399 VanDerWaalsContact C-N 3.3Å; V397-K399 PolarHBondContact O-N 3.49Å; V397-F400 PolarHBondContact O-N 3.02Å
398N87.9Confident82.8Confident140 Ų14089.7 Ų89.775%0.74949%0.485SS*.Hα-helixtrans-68.1-28.5178.2-71.8-15000113.3K394 F396K394-N398 WeakPolarHBondContact O-CB 3.47Å; K394-N398 PolarHBondContact O-N 3.45Å; K394-N398 PolarHBondContact O-ND2 3.47Å; F396-N398 VanDerWaalsContact C-N 3.32Å; F396-N398 PolarHBondContact O-N 3.06Å
399K85.8Confident83.1Confident127 Ų12786 Ų8655%0.55247%0.472SS*.Hα-helixtrans-88.2-16.6174-70.9-173.6176.3-174.10112.8Q395 F396 V397 S401 Y449 L452Q395-K399 WeakPolarHBondContact O-CG 3.49Å; Q395-K399 PolarHBondContact O-N 2.98Å; F396-K399 CarbonylContact O-C 3.58Å; F396-K399 PolarHBondContact O-N 3.4Å; F396-K399 VanDerWaalsContact O-N 3.1Å; V397-K399 VanDerWaalsContact C-N 3.3Å; V397-K399 PolarHBondContact O-N 3.49Å; K399-S401 PolarHBondContact O-N 3.13Å; K399-S401 VanDerWaalsContact O-N 3.12Å; K399-Y449 HydrophobicContact CB-CD1 4.47Å; K399-Y449 HydrophobicContact CB-CE1 3.91Å; K399-Y449 WeakPolarHBondContact O-CE1 3.35Å; K399-Y449 PolarHBondContact O-OH 2.76Å; K399-L452 HydrophobicContact CD-CD1 4.14Å; K399-L452 HydrophobicContact CD-CD2 4.04Å
400F84.7Confident83.4Confident102 Ų10288.1 Ų88.145%0.44748%0.48SS..  trans-72106.4-178.6-176.8-99.9000109.1F396 V397 P402 Y449F396-F400 HydrophobicContact CE1-CB 4.49Å; F396-F400 HydrophobicContact CE1-CD2 4.33Å; F396-F400 HydrophobicContact CZ-CD2 4.12Å; F396-F400 WeakPolarHBondContact O-CB 3.35Å; F396-F400 PolarHBondContact O-N 3.07Å; V397-F400 PolarHBondContact O-N 3.02Å; F400-P402 HydrophobicContact CE1-CB 4.34Å; F400-Y449 WeakPolarHBondContact CA-OH 3.47Å; F400-Y449 HydrophobicContact CD2-CE2 4.32Å
401S80.8Confident83.7Confident89 Ų8990.1 Ų90.162%0.62249%0.49SS*.  trans-114.1112.8171.3-169.90000107.7K399 Y449K399-S401 PolarHBondContact O-N 3.13Å; K399-S401 VanDerWaalsContact O-N 3.12Å; S401-Y449 PolarHBondContact N-OH 2.92Å
402P76.8Confident84.1Confident83 Ų8387.7 Ų87.754%0.53948%0.481SS..  trans-62.3141.6172.627.2-32.2000109.2F400 R404F400-P402 HydrophobicContact CE1-CB 4.34Å; P402-R404 VanDerWaalsContact C-N 3.33Å
403S73.9Confident84.5Confident111 Ų11189.9 Ų89.978%0.77650%0.5SS*.SBendtrans-79.5-16.1179.555.60000113.7
404R75.3Confident84.9Confident85 Ų8587.1 Ų87.132%0.32149%0.487SS..SBendtrans-137.6145-174.3-61.3180-173.2-136.49.1110.5P402 I409 E437P402-R404 VanDerWaalsContact C-N 3.33Å; R404-I409 HydrophobicContact CB-CG1 4.35Å; R404-E437 IonicContact CZ-OE1 2.68Å; R404-E437 IonicContact NH1-OE1 3.35Å; R404-E437 PolarHBondContact NH1-OE1 2.81Å; R404-E437 IonicContact NH1-OE2 2.81Å; R404-E437 PolarHBondContact NH1-OE2 2.9Å
405S79.2Confident85.1Confident67 Ų6784.8 Ų84.847%0.46948%0.477SS..  trans-79.1153.1172.3-52.70000110.5G407 E408S405-G407 PolarHBondContact O-N 3.47Å; S405-G407 VanDerWaalsContact O-N 3.11Å; S405-E408 VanDerWaalsContact CB-OE1 3.28Å; S405-E408 WeakPolarHBondContact CB-OE1 3.49Å; S405-E408 PolarHBondContact N-OE2 3.34Å; S405-E408 PolarHBondContact O-N 3.05Å; S405-E408 PolarHBondContact OG-OE1 2.9Å
406I77.8Confident85.4Confident161 Ų16186 Ų8683%0.82648%0.481SS*.G310 helixtrans-57.6-31.1-178-63.2171.2000112.4
407G77.7Confident85.7Confident80 Ų8086.1 Ų86.183%0.82548%0.482SS*.G310 helixtrans-77-16.5178.900000115.1S405S405-G407 PolarHBondContact O-N 3.47Å; S405-G407 VanDerWaalsContact O-N 3.11Å
408E81.8Confident85.9Confident102 Ų10288.7 Ų88.748%0.47748%0.482SS..G310 helixtrans-90.7-9.8-177.9-66.6158.4-158.200112.4S405 H410S405-E408 VanDerWaalsContact CB-OE1 3.28Å; S405-E408 WeakPolarHBondContact CB-OE1 3.49Å; S405-E408 PolarHBondContact N-OE2 3.34Å; S405-E408 PolarHBondContact O-N 3.05Å; S405-E408 PolarHBondContact OG-OE1 2.9Å; E408-H410 PolarHBondContact O-CE1 3.38Å; E408-H410 PolarHBondContact O-N 3.06Å; E408-H410 PolarHBondContact O-ND1 3.05Å
409I88.9Confident86.1Confident71 Ų7183.2 Ų83.236%0.36445%0.453SS..  trans-84.3115.7-176.9-57.3171.5000109.3R404 E437 T438R404-I409 HydrophobicContact CB-CG1 4.35Å; I409-E437 HydrophobicContact CG2-CB 4.2Å; I409-T438 HydrophobicContact CG2-CG2 3.93Å
410H89.9Confident86.4Confident89 Ų8980.4 Ų80.441%0.41245%0.446SS..  trans-81.9152.6179.8-59.689.4000112.2E408 P412 Q415 E437E408-H410 PolarHBondContact O-CE1 3.38Å; E408-H410 PolarHBondContact O-N 3.06Å; E408-H410 PolarHBondContact O-ND1 3.05Å; H410-P412 WeakPolarHBondContact O-CD 3.25Å; H410-Q415 HydrophobicContact CB-CG 3.86Å; H410-Q415 PolarHBondContact CD2-NE2 3.29Å; H410-E437 WeakPolarHBondContact CB-OE2 3.23Å; H410-E437 IonicContact CG-OE2 2.93Å; H410-E437 PolarHBondContact N-OE2 3.15Å; H410-E437 IonicContact ND1-OE1 3.87Å; H410-E437 IonicContact ND1-OE2 3.54Å; H410-E437 PolarHBondContact ND1-OE2 2.87Å
411N92.3Very high86.7Confident77 Ų7779.2 Ų79.241%0.41244%0.444SS..  trans-76.2111.4172.4-178.2-25.3000110A413 L414 Q415N411-A413 VanDerWaalsContact C-N 3.27Å; N411-A413 PolarHBondContact O-N 2.86Å; N411-A413 WeakPolarHBondContact OD1-CB 3.44Å; N411-A413 PolarHBondContact OD1-N 2.98Å; N411-A413 VanDerWaalsContact OD1-N 3.07Å; N411-L414 HydrophobicContact CB-CB 4.15Å; N411-L414 HydrophobicContact CB-CD1 3.98Å; N411-L414 HydrophobicContact CB-CG 4.1Å; N411-L414 PolarHBondContact O-N 2.72Å; N411-L414 VanDerWaalsContact O-N 3.09Å; N411-L414 PolarHBondContact OD1-N 2.85Å; N411-Q415 PolarHBondContact O-N 3.12Å
412P93.4Very high87.2Confident34 Ų3478.7 Ų78.722%0.22143%0.432CS..Hα-helixtrans-63.2-33-173.725.8-36.1000112.5H410 K416 D436 T438H410-P412 WeakPolarHBondContact O-CD 3.25Å; P412-K416 VanDerWaalsContact O-CB 3.25Å; P412-K416 WeakPolarHBondContact O-CB 3.24Å; P412-K416 PolarHBondContact O-N 3.32Å; P412-D436 HydrophobicContact CB-CB 4.38Å; P412-D436 WeakPolarHBondContact CG-OD1 3.48Å; P412-T438 HydrophobicContact CG-CG2 4.24Å
413A93.1Very high87.9Confident56 Ų5675 Ų7546%0.46341%0.408SS..Hα-helixtrans-67.6-36.417800000112.1N411 H417N411-A413 VanDerWaalsContact C-N 3.27Å; N411-A413 PolarHBondContact O-N 2.86Å; N411-A413 WeakPolarHBondContact OD1-CB 3.44Å; N411-A413 PolarHBondContact OD1-N 2.98Å; N411-A413 VanDerWaalsContact OD1-N 3.07Å; A413-H417 WeakPolarHBondContact O-CB 3.42Å; A413-H417 PolarHBondContact O-N 3.1Å; A413-H417 VanDerWaalsContact O-N 3.13Å
414L93.8Very high88.6Confident18 Ų1877.9 Ų77.99%0.09441%0.407CS..Hα-helixtrans-73.6-42.9176.2-70.1-179.8000111.8A206 M208 N411 H417 R418A206-L414 HydrophobicContact CB-CD1 3.51Å; M208-L414 HydrophobicContact CB-CD2 4.13Å; N411-L414 HydrophobicContact CB-CB 4.15Å; N411-L414 HydrophobicContact CB-CD1 3.98Å; N411-L414 HydrophobicContact CB-CG 4.1Å; N411-L414 PolarHBondContact O-N 2.72Å; N411-L414 VanDerWaalsContact O-N 3.09Å; N411-L414 PolarHBondContact OD1-N 2.85Å; L414-H417 WeakPolarHBondContact O-CB 3.48Å; L414-H417 PolarHBondContact O-N 3.43Å; L414-R418 WeakPolarHBondContact O-CG 3.41Å; L414-R418 PolarHBondContact O-N 3.25Å
415Q92.8Very high89.2Confident41 Ų4177.1 Ų77.119%0.19241%0.411CS..Hα-helixtrans-63.3-46177.5-64.1-60.221.400110.9H410 N411 H417 R418 N419 V434H410-Q415 HydrophobicContact CB-CG 3.86Å; H410-Q415 PolarHBondContact CD2-NE2 3.29Å; N411-Q415 PolarHBondContact O-N 3.12Å; Q415-H417 VanDerWaalsContact C-N 3.27Å; Q415-H417 PolarHBondContact O-N 3.13Å; Q415-R418 PolarHBondContact O-N 3.47Å; Q415-R418 VanDerWaalsContact O-N 3.13Å; Q415-N419 PolarHBondContact O-N 2.9Å; Q415-N419 PolarHBondContact O-OD1 2.92Å; Q415-N419 VanDerWaalsContact O-OD1 3.11Å; Q415-V434 HydrophobicContact CB-CG1 3.71Å; Q415-V434 HydrophobicContact CB-CG2 4.01Å
416K93.3Very high89.7Confident140 Ų14074.6 Ų74.661%0.60939%0.393SS*.Hα-helixtrans-56.8-43174.3-176.6175.7-177.9174.30111.8P412 V420P412-K416 VanDerWaalsContact O-CB 3.25Å; P412-K416 WeakPolarHBondContact O-CB 3.24Å; P412-K416 PolarHBondContact O-N 3.32Å; K416-V420 WeakPolarHBondContact O-CG2 3.38Å; K416-V420 PolarHBondContact O-N 2.92Å
417H93Very high90.2Very high50 Ų5073 Ų7323%0.23139%0.386CS..Hα-helixtrans-63.7-42.8177.7179.672.2000112.6M208 P209 A413 L414 Q415 V420 I421M208-H417 HydrophobicContact CE-CB 4.03Å; P209-H417 WeakPolarHBondContact CG-NE2 3.21Å; A413-H417 WeakPolarHBondContact O-CB 3.42Å; A413-H417 PolarHBondContact O-N 3.1Å; A413-H417 VanDerWaalsContact O-N 3.13Å; L414-H417 WeakPolarHBondContact O-CB 3.48Å; L414-H417 PolarHBondContact O-N 3.43Å; Q415-H417 VanDerWaalsContact C-N 3.27Å; Q415-H417 PolarHBondContact O-N 3.13Å; H417-V420 PolarHBondContact O-N 2.88Å; H417-I421 WeakPolarHBondContact NE2-CD1 3.39Å; H417-I421 WeakPolarHBondContact O-CG1 3.33Å; H417-I421 PolarHBondContact O-N 3.43Å
418R91.5Very high90.7Very high139 Ų13972.7 Ų72.753%0.52536%0.36SS..Hα-helixtrans-62.5-48.5175.9-72.7170.3178.1173.4-4.5111.4L414 Q415 V420 I421 E422L414-R418 WeakPolarHBondContact O-CG 3.41Å; L414-R418 PolarHBondContact O-N 3.25Å; Q415-R418 PolarHBondContact O-N 3.47Å; Q415-R418 VanDerWaalsContact O-N 3.13Å; R418-V420 VanDerWaalsContact C-N 3.3Å; R418-V420 PolarHBondContact O-N 3.33Å; R418-I421 PolarHBondContact O-N 3.39Å; R418-I421 VanDerWaalsContact O-N 3.1Å; R418-E422 WeakPolarHBondContact O-CB 3.13Å; R418-E422 PolarHBondContact O-N 2.88Å
419N92.1Very high90.8Very high26 Ų2677.2 Ų77.214%0.13938%0.381CS..Hα-helixtrans-61-38.8179.1-70.225000112Q415 A423 V431 E432 V434Q415-N419 PolarHBondContact O-N 2.9Å; Q415-N419 PolarHBondContact O-OD1 2.92Å; Q415-N419 VanDerWaalsContact O-OD1 3.11Å; N419-A423 VanDerWaalsContact O-CB 3.28Å; N419-A423 WeakPolarHBondContact O-CB 3.49Å; N419-A423 PolarHBondContact O-N 3.22Å; N419-V431 HydrophobicContact CB-CG1 4.22Å; N419-E432 PolarHBondContact ND2-O 2.67Å; N419-V434 HydrophobicContact CB-CG2 4.42Å; N419-V434 WeakPolarHBondContact ND2-CG2 3.31Å
420V93Very high90.7Very high67 Ų6781.7 Ų81.741%0.40640%0.4SS..Hα-helixtrans-64.8-43.4174.8171.10000111.4K416 H417 R418 F424 V431K416-V420 WeakPolarHBondContact O-CG2 3.38Å; K416-V420 PolarHBondContact O-N 2.92Å; H417-V420 PolarHBondContact O-N 2.88Å; R418-V420 VanDerWaalsContact C-N 3.3Å; R418-V420 PolarHBondContact O-N 3.33Å; V420-F424 WeakPolarHBondContact O-CB 3.23Å; V420-F424 PolarHBondContact O-N 3.17Å; V420-V431 HydrophobicContact CG2-CG1 3.74Å; V420-V431 HydrophobicContact CG2-CG2 4.36Å
421I90.7Very high90.6Very high78 Ų7880.8 Ų80.840%0.440%0.401SS..Hα-helixtrans-65.9-45.3177.3-71.1173.8000110.5H417 R418 F424 V425H417-I421 WeakPolarHBondContact NE2-CD1 3.39Å; H417-I421 WeakPolarHBondContact O-CG1 3.33Å; H417-I421 PolarHBondContact O-N 3.43Å; R418-I421 PolarHBondContact O-N 3.39Å; R418-I421 VanDerWaalsContact O-N 3.1Å; I421-F424 PolarHBondContact O-N 3.29Å; I421-V425 HydrophobicContact CG2-CG2 3.94Å; I421-V425 WeakPolarHBondContact O-CB 3.47Å; I421-V425 WeakPolarHBondContact O-CG2 3.26Å; I421-V425 PolarHBondContact O-N 3.12Å
422E90.1Very high90.3Very high78 Ų7882.5 Ų82.536%0.36441%0.407SS..Hα-helixtrans-58.7-49.7178.1-179.7179.5168.600110.9R418 F424 V425 L426 R428R418-E422 WeakPolarHBondContact O-CB 3.13Å; R418-E422 PolarHBondContact O-N 2.88Å; E422-F424 VanDerWaalsContact C-N 3.29Å; E422-F424 PolarHBondContact O-N 3.12Å; E422-V425 PolarHBondContact O-N 3.33Å; E422-L426 HydrophobicContact CG-CD1 3.63Å; E422-L426 HydrophobicContact CG-CG 4.31Å; E422-L426 VanDerWaalsContact O-CB 3.3Å; E422-L426 WeakPolarHBondContact O-CB 3.45Å; E422-L426 WeakPolarHBondContact O-CG 3.29Å; E422-L426 PolarHBondContact O-N 3.32Å; E422-R428 IonicContact OE1-CZ 3.65Å; E422-R428 IonicContact OE1-NH1 3.03Å; E422-R428 PolarHBondContact OE1-NH1 2.77Å; E422-R428 VanDerWaalsContact OE1-NH1 3.16Å
423A91.9Very high90Very high6 Ų687.6 Ų87.65%0.0544%0.437CS..Hα-helixtrans-58.5-41.9176.300000111.9N419 D427 R428 V431N419-A423 VanDerWaalsContact O-CB 3.28Å; N419-A423 WeakPolarHBondContact O-CB 3.49Å; N419-A423 PolarHBondContact O-N 3.22Å; A423-D427 PolarHBondContact O-N 3.29Å; A423-D427 VanDerWaalsContact O-N 3.09Å; A423-R428 HydrophobicContact CB-CB 4.2Å; A423-R428 PolarHBondContact O-N 2.87Å; A423-V431 HydrophobicContact CB-CG2 3.98Å
424F89.8Confident89.8Confident171 Ų17187.5 Ų87.575%0.7543%0.431SS*.Hα-helixtrans-67.1-42.1177.2-176-97.1000112.9V420 I421 E422 D427V420-F424 WeakPolarHBondContact O-CB 3.23Å; V420-F424 PolarHBondContact O-N 3.17Å; I421-F424 PolarHBondContact O-N 3.29Å; E422-F424 VanDerWaalsContact C-N 3.29Å; E422-F424 PolarHBondContact O-N 3.12Å; F424-D427 PolarHBondContact O-N 2.92Å
425V87.7Confident89.5Confident68 Ų6893.7 Ų93.741%0.41246%0.459SS..Hα-helixtrans-71.5-32.3-179.41700000111.3A44 I421 E422A44-V425 HydrophobicContact CB-CG1 3.49Å; A44-V425 VanDerWaalsContact CB-CG1 3.49Å; A44-V425 VanDerWaalsContact CB-O 3.31Å; A44-V425 WeakPolarHBondContact CB-O 3.44Å; I421-V425 HydrophobicContact CG2-CG2 3.94Å; I421-V425 WeakPolarHBondContact O-CB 3.47Å; I421-V425 WeakPolarHBondContact O-CG2 3.26Å; I421-V425 PolarHBondContact O-N 3.12Å; E422-V425 PolarHBondContact O-N 3.33Å
426L89.3Confident89.4Confident14 Ų1494.3 Ų94.37%0.07346%0.464CS..THydrogen-bonded Turntrans-92.64.2179.2-61.8178.5000113.7A44 V47 K48 E422 R428A44-L426 HydrophobicContact CB-CD2 4.38Å; V47-L426 HydrophobicContact CB-CD2 4.32Å; V47-L426 HydrophobicContact CG1-CD2 4.22Å; K48-L426 HydrophobicContact CD-CD2 4.4Å; K48-L426 VanDerWaalsContact CE-CA 3.43Å; K48-L426 WeakPolarHBondContact CE-O 3.41Å; K48-L426 HydrophobicContact CG-CD2 3.67Å; K48-L426 VanDerWaalsContact NZ-C 3.29Å; K48-L426 PolarHBondContact NZ-O 3.33Å; E422-L426 HydrophobicContact CG-CD1 3.63Å; E422-L426 HydrophobicContact CG-CG 4.31Å; E422-L426 VanDerWaalsContact O-CB 3.3Å; E422-L426 WeakPolarHBondContact O-CB 3.45Å; E422-L426 WeakPolarHBondContact O-CG 3.29Å; E422-L426 PolarHBondContact O-N 3.32Å; L426-R428 HydrophobicContact CB-CG 4.03Å; L426-R428 PolarHBondContact O-N 3.06Å
427D87.6Confident89.2Confident129 Ų12990 Ų9069%0.6945%0.446SS*.THydrogen-bonded Turntrans53.735.7-176-48.6-70000113.3K48 A423 F424K48-D427 IonicContact NZ-OD2 3.41Å; K48-D427 PolarHBondContact NZ-OD2 2.88Å; A423-D427 PolarHBondContact O-N 3.29Å; A423-D427 VanDerWaalsContact O-N 3.09Å; F424-D427 PolarHBondContact O-N 2.92Å
428R88.2Confident89.1Confident73 Ų7391.4 Ų91.428%0.27546%0.458SS..  trans-81.8131.9175.2-63.7-179.2178.5161.65.3109.4E51 E422 A423 L426 Q430 E432E51-R428 VanDerWaalsContact CD-NH2 3.33Å; E51-R428 IonicContact OE1-CZ 3.75Å; E51-R428 IonicContact OE1-NH2 2.74Å; E51-R428 PolarHBondContact OE1-NH2 3.11Å; E51-R428 IonicContact OE2-NH2 2.71Å; E51-R428 PolarHBondContact OE2-NH2 3.46Å; E422-R428 IonicContact OE1-CZ 3.65Å; E422-R428 IonicContact OE1-NH1 3.03Å; E422-R428 PolarHBondContact OE1-NH1 2.77Å; E422-R428 VanDerWaalsContact OE1-NH1 3.16Å; A423-R428 HydrophobicContact CB-CB 4.2Å; A423-R428 PolarHBondContact O-N 2.87Å; L426-R428 HydrophobicContact CB-CG 4.03Å; L426-R428 PolarHBondContact O-N 3.06Å; R428-Q430 VanDerWaalsContact C-N 3.34Å; R428-E432 IonicContact NH1-OE1 3.98Å; R428-E432 PolarHBondContact NH1-OE1 3.35Å
429E85.3Confident89Confident197 Ų19790.4 Ų90.492%0.92146%0.462SS*.SBendtrans-70.6-31.4179.7-65.9-173.8168.500113
430Q86.5Confident88.8Confident164 Ų16492.9 Ų92.977%0.76648%0.48SS*.SBendtrans-107.8131.4-177.3-63.3-1768.300110.3R428R428-Q430 VanDerWaalsContact C-N 3.34Å
431V86.3Confident88.5Confident71 Ų7194.5 Ų94.543%0.4349%0.486SS..PPolyproline II helixtrans-87.3125.2171.1-178.60000108N419 V420 A423 T433N419-V431 HydrophobicContact CB-CG1 4.22Å; V420-V431 HydrophobicContact CG2-CG1 3.74Å; V420-V431 HydrophobicContact CG2-CG2 4.36Å; A423-V431 HydrophobicContact CB-CG2 3.98Å; V431-T433 PolarHBondContact O-N 2.66Å
432E86.2Confident88.4Confident113 Ų11395.6 Ų95.653%0.52849%0.493SS..PPolyproline II helixtrans-58.5129.7175.3-70.5174.2-158.800111.3N419 R428 V434N419-E432 PolarHBondContact ND2-O 2.67Å; R428-E432 IonicContact NH1-OE1 3.98Å; R428-E432 PolarHBondContact NH1-OE1 3.35Å; E432-V434 PolarHBondContact O-N 2.85Å
433T88.3Confident88.3Confident141 Ų14198.1 Ų98.187%0.86551%0.505SS*.PPolyproline II helixtrans-74120.3177.450.80000110.1V431V431-T433 PolarHBondContact O-N 2.66Å
434V87.4Confident88Confident53 Ų53102.2 Ų102.232%0.32152%0.523SS..PPolyproline II helixtrans-82.4125.1174.11790000109.6Q415 N419 E432Q415-V434 HydrophobicContact CB-CG1 3.71Å; Q415-V434 HydrophobicContact CB-CG2 4.01Å; N419-V434 HydrophobicContact CB-CG2 4.42Å; N419-V434 WeakPolarHBondContact ND2-CG2 3.31Å; E432-V434 PolarHBondContact O-N 2.85Å
435E88.8Confident87.9Confident148 Ų14896.2 Ų96.269%0.69250%0.498SS*.PPolyproline II helixtrans-69.7129.2168.4-171.2-176.816900109.9E437E435-E437 PolarHBondContact O-N 3.22Å
436D91.2Very high87.9Confident55 Ų5598.1 Ų98.129%0.29451%0.506SS..  trans-82.696.5177.6-169.6-12.3000110.8P412 T438 L439P412-D436 HydrophobicContact CB-CB 4.38Å; P412-D436 WeakPolarHBondContact CG-OD1 3.48Å; D436-T438 PolarHBondContact O-N 3.43Å; D436-T438 VanDerWaalsContact O-N 3.16Å; D436-T438 VanDerWaalsContact OD1-CB 3.31Å; D436-T438 WeakPolarHBondContact OD1-CB 3.31Å; D436-T438 PolarHBondContact OD1-N 3.45Å; D436-T438 PolarHBondContact OD1-OG1 3.4Å; D436-L439 HydrophobicContact CB-CD1 3.99Å; D436-L439 HydrophobicContact CB-CG 4.1Å; D436-L439 PolarHBondContact O-N 2.7Å
437E88.9Confident87.9Confident50 Ų50105.3 Ų105.323%0.23454%0.537CS..THydrogen-bonded Turntrans-66.8-11.5-180-47.8-176.5143.900113.4R404 I409 H410 E435R404-E437 IonicContact CZ-OE1 2.68Å; R404-E437 IonicContact NH1-OE1 3.35Å; R404-E437 PolarHBondContact NH1-OE1 2.81Å; R404-E437 IonicContact NH1-OE2 2.81Å; R404-E437 PolarHBondContact NH1-OE2 2.9Å; I409-E437 HydrophobicContact CG2-CB 4.2Å; H410-E437 WeakPolarHBondContact CB-OE2 3.23Å; H410-E437 IonicContact CG-OE2 2.93Å; H410-E437 PolarHBondContact N-OE2 3.15Å; H410-E437 IonicContact ND1-OE1 3.87Å; H410-E437 IonicContact ND1-OE2 3.54Å; H410-E437 PolarHBondContact ND1-OE2 2.87Å; E435-E437 PolarHBondContact O-N 3.22Å
438T89.8Confident87.8Confident79 Ų79102.2 Ų102.249%0.48552%0.523SS..THydrogen-bonded Turntrans-83.7-15.8178.774.80000112.8I409 P412 D436I409-T438 HydrophobicContact CG2-CG2 3.93Å; P412-T438 HydrophobicContact CG-CG2 4.24Å; D436-T438 PolarHBondContact O-N 3.43Å; D436-T438 VanDerWaalsContact O-N 3.16Å; D436-T438 VanDerWaalsContact OD1-CB 3.31Å; D436-T438 WeakPolarHBondContact OD1-CB 3.31Å; D436-T438 PolarHBondContact OD1-N 3.45Å; D436-T438 PolarHBondContact OD1-OG1 3.4Å
439L90.7Very high87.8Confident117 Ų11799.2 Ų99.261%0.61351%0.511SS*.SBendtrans-79.6137.8177.6-65.6178000110.8D436D436-L439 HydrophobicContact CB-CD1 3.99Å; D436-L439 HydrophobicContact CB-CG 4.1Å; D436-L439 PolarHBondContact O-N 2.7Å
440P87.1Confident87.8Confident79 Ų7991 Ų9151%0.51348%0.48SS..  trans-68137175.528-33.1000110.6N442 I445P440-N442 VanDerWaalsContact C-N 3.3Å; P440-N442 PolarHBondContact O-N 3.36Å; P440-I445 HydrophobicContact CB-CD1 3.87Å
441N86.8Confident87.8Confident101 Ų10187.6 Ų87.654%0.5447%0.474SS..  trans-74.785.1171.4-173.3-21.1000109.8E443 H444 I445N441-E443 VanDerWaalsContact C-N 3.26Å; N441-E443 PolarHBondContact O-N 3.23Å; N441-E443 PolarHBondContact OD1-N 3.44Å; N441-H444 HydrophobicContact CB-CB 4.17Å; N441-H444 PolarHBondContact O-N 2.9Å; N441-H444 PolarHBondContact OD1-N 3.07Å; N441-H444 VanDerWaalsContact OD1-N 3.12Å; N441-I445 WeakPolarHBondContact O-CG1 3.42Å; N441-I445 PolarHBondContact O-N 2.91Å
442N88.2Confident87.9Confident101 Ų10185 Ų8554%0.5446%0.457SS..Hα-helixtrans-57.2-38.5-177-65.3-33.5000112.2P440 H444 I445 D446P440-N442 VanDerWaalsContact C-N 3.3Å; P440-N442 PolarHBondContact O-N 3.36Å; N442-H444 PolarHBondContact O-N 3.5Å; N442-I445 PolarHBondContact O-N 3.28Å; N442-D446 WeakPolarHBondContact O-CB 3.41Å; N442-D446 PolarHBondContact O-N 3.35Å
443E88.2Confident87.9Confident130 Ų13082.1 Ų82.161%0.60745%0.445SS*.Hα-helixtrans-63-43.6179.6-63.2-169.4-17500112.4N441 I445 K447N441-E443 VanDerWaalsContact C-N 3.26Å; N441-E443 PolarHBondContact O-N 3.23Å; N441-E443 PolarHBondContact OD1-N 3.44Å; E443-I445 VanDerWaalsContact C-N 3.34Å; E443-K447 VanDerWaalsContact O-CB 3.32Å; E443-K447 WeakPolarHBondContact O-CB 3.46Å; E443-K447 WeakPolarHBondContact O-CD 3.47Å; E443-K447 WeakPolarHBondContact O-CG 3.42Å; E443-K447 PolarHBondContact O-N 2.85Å; E443-K447 IonicContact OE2-NZ 2.67Å
444H86Confident87.7Confident92 Ų9277.6 Ų77.643%0.42642%0.422SS..Hα-helixtrans-66.3-40175.9-179.8-94.5000110.9N441 N442 K447 T448N441-H444 HydrophobicContact CB-CB 4.17Å; N441-H444 PolarHBondContact O-N 2.9Å; N441-H444 PolarHBondContact OD1-N 3.07Å; N441-H444 VanDerWaalsContact OD1-N 3.12Å; N442-H444 PolarHBondContact O-N 3.5Å; H444-K447 PolarHBondContact O-N 2.82Å; H444-T448 PolarHBondContact NE2-OG1 3.47Å; H444-T448 WeakPolarHBondContact O-CB 3.5Å; H444-T448 PolarHBondContact O-N 2.87Å; H444-T448 PolarHBondContact O-OG1 2.86Å
445I87.2Confident87.6Confident45 Ų4577.6 Ų77.623%0.23142%0.424CS..Hα-helixtrans-62.5-46.7178.1-67.9165.9000110.8P440 N441 N442 E443 T448 Y449 G450 L453P440-I445 HydrophobicContact CB-CD1 3.87Å; N441-I445 WeakPolarHBondContact O-CG1 3.42Å; N441-I445 PolarHBondContact O-N 2.91Å; N442-I445 PolarHBondContact O-N 3.28Å; E443-I445 VanDerWaalsContact C-N 3.34Å; I445-T448 PolarHBondContact O-N 2.89Å; I445-Y449 HydrophobicContact CB-CD2 4.47Å; I445-Y449 HydrophobicContact CG2-CD2 4.23Å; I445-Y449 WeakPolarHBondContact O-CA 3.41Å; I445-Y449 WeakPolarHBondContact O-CB 3.24Å; I445-Y449 PolarHBondContact O-N 3.08Å; I445-G450 PolarHBondContact O-N 3.32Å; I445-L453 HydrophobicContact CG2-CD1 4.05Å
446D88.1Confident87.5Confident108 Ų10872.5 Ų72.558%0.57840%0.4SS*.Hα-helixtrans-67-41.5-179.5-71.2-24.3000111.6N442 G450N442-D446 WeakPolarHBondContact O-CB 3.41Å; N442-D446 PolarHBondContact O-N 3.35Å; D446-G450 WeakPolarHBondContact O-CA 3.46Å; D446-G450 PolarHBondContact O-N 3.16Å
447K88.8Confident87.2Confident166 Ų16674.7 Ų74.772%0.72241%0.412SS*.Hα-helixtrans-64.6-44.6176.6-74.1168.8-175.9163.40112.2E443 H444E443-K447 VanDerWaalsContact O-CB 3.32Å; E443-K447 WeakPolarHBondContact O-CB 3.46Å; E443-K447 WeakPolarHBondContact O-CD 3.47Å; E443-K447 WeakPolarHBondContact O-CG 3.42Å; E443-K447 PolarHBondContact O-N 2.85Å; E443-K447 IonicContact OE2-NZ 2.67Å; H444-K447 PolarHBondContact O-N 2.82Å
448T86.1Confident87Confident64 Ų6479.4 Ų79.439%0.39343%0.434SS..Hα-helixtrans-86.1-38.4-172-58.20000112.6H444 I445H444-T448 PolarHBondContact NE2-OG1 3.47Å; H444-T448 WeakPolarHBondContact O-CB 3.5Å; H444-T448 PolarHBondContact O-N 2.87Å; H444-T448 PolarHBondContact O-OG1 2.86Å; I445-T448 PolarHBondContact O-N 2.89Å
449Y87.9Confident86.5Confident9 Ų979 Ų794%0.03543%0.428CS..Hα-helixtrans-117.3-4-171.7-51.4-66.7000114.2F396 K399 F400 S401 I445 S451 L452 L453F396-Y449 HydrophobicContact CD2-CD1 4.21Å; F396-Y449 HydrophobicContact CD2-CG 4.29Å; F396-Y449 HydrophobicContact CE2-CD1 4.06Å; F396-Y449 HydrophobicContact CE2-CD2 4.24Å; F396-Y449 AromaticContact CE2-CG 3.77Å; F396-Y449 HydrophobicContact CE2-CG 3.77Å; K399-Y449 HydrophobicContact CB-CD1 4.47Å; K399-Y449 HydrophobicContact CB-CE1 3.91Å; K399-Y449 WeakPolarHBondContact O-CE1 3.35Å; K399-Y449 PolarHBondContact O-OH 2.76Å; F400-Y449 WeakPolarHBondContact CA-OH 3.47Å; F400-Y449 HydrophobicContact CD2-CE2 4.32Å; S401-Y449 PolarHBondContact N-OH 2.92Å; I445-Y449 HydrophobicContact CB-CD2 4.47Å; I445-Y449 HydrophobicContact CG2-CD2 4.23Å; I445-Y449 WeakPolarHBondContact O-CA 3.41Å; I445-Y449 WeakPolarHBondContact O-CB 3.24Å; I445-Y449 PolarHBondContact O-N 3.08Å; Y449-S451 VanDerWaalsContact C-N 3.25Å; Y449-S451 PolarHBondContact O-N 3.3Å; Y449-S451 VanDerWaalsContact O-N 3.12Å; Y449-L452 PolarHBondContact O-N 3.25Å; Y449-L453 WeakPolarHBondContact O-CG 3.43Å; Y449-L453 PolarHBondContact O-N 3.19Å
450G86Confident85.9Confident25 Ų2577.3 Ų77.326%0.25842%0.418SS..Hα-helixtrans-53.9-37.5-173.900000114.3I445 D446 A454I445-G450 PolarHBondContact O-N 3.32Å; D446-G450 WeakPolarHBondContact O-CA 3.46Å; D446-G450 PolarHBondContact O-N 3.16Å; G450-A454 VanDerWaalsContact O-CB 3.3Å; G450-A454 WeakPolarHBondContact O-CB 3.29Å; G450-A454 PolarHBondContact O-N 2.96Å
451S87Confident85Confident92 Ų9280.2 Ų80.264%0.64343%0.43SS*.Hα-helixtrans-69.3-38.4176.559.90000113.3Y449 S455Y449-S451 VanDerWaalsContact C-N 3.25Å; Y449-S451 PolarHBondContact O-N 3.3Å; Y449-S451 VanDerWaalsContact O-N 3.12Å; S451-S455 PolarHBondContact O-N 3.08Å; S451-S455 VanDerWaalsContact O-N 3.1Å
452L86.8Confident83.7Confident17 Ų1779.7 Ų79.79%0.08943%0.43CS..Hα-helixtrans-69.1-42.7175.3-76.593.8000110.9Q395 K399 Y449 S455 F456Q395-L452 HydrophobicContact CB-CD2 4.12Å; K399-L452 HydrophobicContact CD-CD1 4.14Å; K399-L452 HydrophobicContact CD-CD2 4.04Å; Y449-L452 PolarHBondContact O-N 3.25Å; L452-S455 PolarHBondContact O-N 3.29Å; L452-F456 WeakPolarHBondContact O-CB 3.33Å; L452-F456 PolarHBondContact O-N 3.23Å
453L86Confident81.8Confident53 Ų5381.4 Ų81.428%0.27744%0.435SS..Hα-helixtrans-63.7-41.3177.2-68.1173.8000111.4F396 I445 Y449 F456 N457F396-L453 HydrophobicContact CD2-CD2 4.29Å; F396-L453 HydrophobicContact CE2-CD2 3.97Å; F396-L453 HydrophobicContact CE2-CG 4.39Å; I445-L453 HydrophobicContact CG2-CD1 4.05Å; Y449-L453 WeakPolarHBondContact O-CG 3.43Å; Y449-L453 PolarHBondContact O-N 3.19Å; L453-F456 PolarHBondContact O-N 3.02Å; L453-N457 WeakPolarHBondContact O-CB 3.19Å; L453-N457 PolarHBondContact O-N 3.46Å; L453-N457 PolarHBondContact O-ND2 2.93Å
454A85.9Confident80Confident45 Ų4581.5 Ų81.537%0.37244%0.439SS..Hα-helixtrans-61.8-44.1174.600000112.1G450 N457 Q458G450-A454 VanDerWaalsContact O-CB 3.3Å; G450-A454 WeakPolarHBondContact O-CB 3.29Å; G450-A454 PolarHBondContact O-N 2.96Å; A454-N457 PolarHBondContact O-N 2.89Å; A454-Q458 VanDerWaalsContact O-CG 3.3Å; A454-Q458 WeakPolarHBondContact O-CG 3.36Å; A454-Q458 PolarHBondContact O-N 3.23Å
455S85.2Confident78.4Confident53 Ų5382 Ų8237%0.37145%0.449SS..Hα-helixtrans-62.6-43.3174.9-178.60000112S451 L452 Q458 L459S451-S455 PolarHBondContact O-N 3.08Å; S451-S455 VanDerWaalsContact O-N 3.1Å; L452-S455 PolarHBondContact O-N 3.29Å; S455-Q458 WeakPolarHBondContact O-CB 3.36Å; S455-Q458 PolarHBondContact O-N 3.49Å; S455-L459 WeakPolarHBondContact O-CG 3.42Å; S455-L459 PolarHBondContact O-N 3.12Å
456F85.9Confident76.4Confident41 Ų4184.3 Ų84.318%0.1847%0.468CS..Hα-helixtrans-62.7-43.9176.2-175.1-95.7000112L389 M393 L452 L453 Q458 L459 M460L389-F456 HydrophobicContact CD1-CD2 3.99Å; L389-F456 HydrophobicContact CD1-CE2 3.47Å; L389-F456 VanDerWaalsContact CD1-CE2 3.47Å; L389-F456 HydrophobicContact CD1-CZ 3.87Å; L389-F456 HydrophobicContact CG-CE2 3.76Å; L389-F456 HydrophobicContact CG-CZ 4.25Å; M393-F456 HydrophobicContact CB-CE2 4.25Å; M393-F456 HydrophobicContact CE-CD2 4.06Å; M393-F456 HydrophobicContact CE-CE1 4.01Å; M393-F456 HydrophobicContact CE-CE2 3.44Å; M393-F456 VanDerWaalsContact CE-CE2 3.44Å; M393-F456 HydrophobicContact CE-CZ 3.42Å; M393-F456 VanDerWaalsContact CE-CZ 3.42Å; L452-F456 WeakPolarHBondContact O-CB 3.33Å; L452-F456 PolarHBondContact O-N 3.23Å; L453-F456 PolarHBondContact O-N 3.02Å; F456-Q458 VanDerWaalsContact C-N 3.32Å; F456-Q458 PolarHBondContact O-N 2.93Å; F456-L459 PolarHBondContact O-N 3.24Å; F456-L459 VanDerWaalsContact O-N 3.16Å; F456-M460 HydrophobicContact CD1-CG 3.97Å; F456-M460 HydrophobicContact CE1-CG 3.49Å; F456-M460 VanDerWaalsContact CE1-CG 3.49Å; F456-M460 HydrophobicContact CE1-SD 4.27Å; F456-M460 HydrophobicContact CE2-CG 4.44Å; F456-M460 HydrophobicContact CZ-CG 3.75Å; F456-M460 HydrophobicContact CZ-SD 4.03Å; F456-M460 WeakPolarHBondContact O-CG 3.48Å; F456-M460 PolarHBondContact O-N 3.39Å
457N85.3Confident74.4Confident102 Ų10286.4 Ų86.455%0.54548%0.48SS..Hα-helixtrans-62.3-39.3176.6-73.2-19.2000112L453 A454 M460 N461L453-N457 WeakPolarHBondContact O-CB 3.19Å; L453-N457 PolarHBondContact O-N 3.46Å; L453-N457 PolarHBondContact O-ND2 2.93Å; A454-N457 PolarHBondContact O-N 2.89Å; N457-M460 PolarHBondContact O-N 2.92Å; N457-N461 PolarHBondContact O-N 3.46Å
458Q83.5Confident72.2Confident148 Ų14885.3 Ų85.369%0.69248%0.475SS*.Hα-helixtrans-62.8-40.4173.5-73.2172.45.200111.9A454 S455 F456 N461A454-Q458 VanDerWaalsContact O-CG 3.3Å; A454-Q458 WeakPolarHBondContact O-CG 3.36Å; A454-Q458 PolarHBondContact O-N 3.23Å; S455-Q458 WeakPolarHBondContact O-CB 3.36Å; S455-Q458 PolarHBondContact O-N 3.49Å; F456-Q458 VanDerWaalsContact C-N 3.32Å; F456-Q458 PolarHBondContact O-N 2.93Å; Q458-N461 PolarHBondContact O-N 3.04Å; Q458-N461 PolarHBondContact O-OD1 3.35Å
459L80.8Confident70.1Confident71 Ų7193.4 Ų93.437%0.37250%0.498SS..Hα-helixtrans-70.1-36.8178.3-70.9172.2000112.9K388 L389 S455 F456 N461K388-L459 HydrophobicContact CB-CD1 4.37Å; K388-L459 HydrophobicContact CB-CD2 4.25Å; L389-L459 HydrophobicContact CD1-CB 4.05Å; S455-L459 WeakPolarHBondContact O-CG 3.42Å; S455-L459 PolarHBondContact O-N 3.12Å; F456-L459 PolarHBondContact O-N 3.24Å; F456-L459 VanDerWaalsContact O-N 3.16Å; L459-N461 PolarHBondContact O-N 3.38Å
460M76.4Confident67.8Low82 Ų82102.9 Ų102.940%0.40454%0.54SS..Hα-helixtrans-68.5-14.9178.7-78.7-66.5-69.400113.2L389 F456 N457 V462L389-M460 HydrophobicContact CD1-CG 3.57Å; L389-M460 HydrophobicContact CD1-SD 3.36Å; L389-M460 WeakPolarHBondContact CD1-SD 3.39Å; L389-M460 HydrophobicContact CD2-SD 3.57Å; L389-M460 VanDerWaalsContact CD2-SD 3.57Å; L389-M460 HydrophobicContact CG-SD 4.06Å; F456-M460 HydrophobicContact CD1-CG 3.97Å; F456-M460 HydrophobicContact CE1-CG 3.49Å; F456-M460 VanDerWaalsContact CE1-CG 3.49Å; F456-M460 HydrophobicContact CE1-SD 4.27Å; F456-M460 HydrophobicContact CE2-CG 4.44Å; F456-M460 HydrophobicContact CZ-CG 3.75Å; F456-M460 HydrophobicContact CZ-SD 4.03Å; F456-M460 WeakPolarHBondContact O-CG 3.48Å; F456-M460 PolarHBondContact O-N 3.39Å; N457-M460 PolarHBondContact O-N 2.92Å; M460-V462 HydrophobicContact CB-CG2 3.9Å; M460-V462 HydrophobicContact CE-CG2 4.41Å; M460-V462 PolarHBondContact O-N 3.02Å
461N69.2Low65.5Low140 Ų140104.3 Ų104.375%0.74955%0.554SS**THydrogen-bonded Turntrans47.434.5-176.2-83.2-16.9000112.9N457 Q458 L459 E463N457-N461 PolarHBondContact O-N 3.46Å; Q458-N461 PolarHBondContact O-N 3.04Å; Q458-N461 PolarHBondContact O-OD1 3.35Å; L459-N461 PolarHBondContact O-N 3.38Å; N461-E463 VanDerWaalsContact C-N 3.28Å; N461-E463 PolarHBondContact O-N 2.71Å
462V58.4Low63Low89 Ų89109.9 Ų109.954%0.53957%0.567SS.*  trans-76.890.3174179.10000106M460 D464 V465M460-V462 HydrophobicContact CB-CG2 3.9Å; M460-V462 HydrophobicContact CE-CG2 4.41Å; M460-V462 PolarHBondContact O-N 3.02Å; V462-D464 PolarHBondContact O-N 3.28Å; V462-V465 HydrophobicContact CG1-CG2 4.32Å
463E49.7Very low60.6Low138 Ų138120.6 Ų120.665%0.64561%0.606SS**  trans-50.3129.1156.8-72.3-168.5177.500107N461 V465 K468N461-E463 VanDerWaalsContact C-N 3.28Å; N461-E463 PolarHBondContact O-N 2.71Å; E463-V465 WeakPolarHBondContact O-CG2 3.44Å; E463-V465 PolarHBondContact O-N 2.93Å; E463-K468 IonicContact OE2-NZ 2.66Å; E463-K468 PolarHBondContact OE2-NZ 3.33Å
464D49.8Very low58.1Low132 Ų132127.3 Ų127.371%0.70663%0.633SS**  trans-43.996.3176.5-85-47.3000111.4V462 S466V462-D464 PolarHBondContact O-N 3.28Å; D464-S466 PolarHBondContact O-N 3.11Å; D464-S466 VanDerWaalsContact O-N 3.12Å
465V51.5Low55.7Low103 Ų103129.8 Ų129.862%0.62465%0.654SS**THydrogen-bonded Turntrans-73.2-0.5178.7-170.50000110.4V462 E463V462-V465 HydrophobicContact CG1-CG2 4.32Å; E463-V465 WeakPolarHBondContact O-CG2 3.44Å; E463-V465 PolarHBondContact O-N 2.93Å
466S46.7Very low53.4Low92 Ų92133.5 Ų133.564%0.64367%0.669SS**THydrogen-bonded Turntrans-78.6-16.6-175.237.80000115D464D464-S466 PolarHBondContact O-N 3.11Å; D464-S466 VanDerWaalsContact O-N 3.12Å
467D45.1Very low51.4Low152 Ų152138.9 Ų138.981%0.81370%0.7SS**SBendtrans-111.8-8.3-179.7-90.9-27.8000116.4R469D467-R469 PolarHBondContact O-N 3.19Å
468K42Very low49.5Very low144 Ų144141.8 Ų141.863%0.62671%0.71SS**G310 helixtrans-88.53.8-176.3-73.8178.7-176.4167.10115.7E463 K470 G471E463-K468 IonicContact OE2-NZ 2.66Å; E463-K468 PolarHBondContact OE2-NZ 3.33Å; K468-K470 PolarHBondContact O-N 3.16Å; K468-K470 VanDerWaalsContact O-N 3.1Å; K468-G471 PolarHBondContact O-N 3.21Å; K468-G471 VanDerWaalsContact O-N 3.14Å
469R43.3Very low47.7Very low233 Ų233135.6 Ų135.688%0.87969%0.685SS**G310 helixtrans-72.94.1178.5-73.1-173.1-179.4177.51.9115.3D467D467-R469 PolarHBondContact O-N 3.19Å
470K40.1Very low46.4Very low209 Ų209137.1 Ų137.191%0.90970%0.701SS**G310 helixtrans-1055.3168-76.7-178.1178.5173.70114.5K468K468-K470 PolarHBondContact O-N 3.16Å; K468-K470 VanDerWaalsContact O-N 3.1Å
471G37.6Very low45.7Very low54 Ų54138.2 Ų138.256%0.55772%0.717SS**SBendtrans-85.7121.717600000113K468 R473K468-G471 PolarHBondContact O-N 3.21Å; K468-G471 VanDerWaalsContact O-N 3.14Å; G471-R473 PolarHBondContact O-N 3.36Å
472K33.1Very low45.5Very low209 Ų209132.6 Ų132.691%0.90969%0.687SS**  trans-50.1101.9173.7-157.4173.6-172176.10110.4K474K472-K474 PolarHBondContact O-N 2.87Å; K472-K474 VanDerWaalsContact O-N 3.11Å
473R37.4Very low46.4Very low242 Ų242132.5 Ų132.591%0.91368%0.683SS**  trans-58.4113.8175-82.1-180168.9170.2-5.4109.4G471G471-R473 PolarHBondContact O-N 3.36Å
474K33.9Very low47.9Very low194 Ų194125.9 Ų125.984%0.84365%0.652SS**  trans-64128.7159.4-84.9-178.2172-1780107.7K472K472-K474 PolarHBondContact O-N 2.87Å; K472-K474 VanDerWaalsContact O-N 3.11Å
475A35.7Very low49.4Very low98 Ų98126.2 Ų126.281%0.8164%0.644SS**  trans-104.155.3-17000000111.6
476D36.7Very low50.9Low130 Ų130124.6 Ų124.670%0.69563%0.634SS**  trans-113.4-0-165-87.3-20.9000118.3
477D42.4Very low52.6Low154 Ų154121.2 Ų121.282%0.82461%0.608SS**SBendtrans-121.44.9-173-83.5-32.6000118.2
478E46.8Very low54.4Low163 Ų163114.3 Ų114.376%0.76257%0.572SS**SBendtrans-97.12.5176.6-79.4-168.6170.600114.8
479A45Very low56.4Low19 Ų19113.8 Ų113.816%0.15757%0.57CS.*THydrogen-bonded Turntrans-84.9-9.5-169.300000115.3N503A479-N503 HydrophobicContact CB-CB 4.23Å
480S53.5Low58.2Low103 Ų103108.1 Ų108.172%0.7256%0.557SS**THydrogen-bonded Turntrans-91.50.3-165.350.70000116.3
481S60.9Low60.2Low105 Ų105101.2 Ų101.273%0.73455%0.545SS*.  trans-131.313.9-176.370.40000116.2D483S481-D483 PolarHBondContact O-N 3.44Å
482I66Low62.4Low22 Ų22101.7 Ų101.711%0.11354%0.535CS..  trans-77.4107.8-176.8-55.5173.4000110.4L484 E487 A504 N508I482-L484 HydrophobicContact CG2-CD2 4.27Å; I482-L484 PolarHBondContact O-N 3.21Å; I482-L484 VanDerWaalsContact O-N 3.14Å; I482-E487 HydrophobicContact CG2-CG 4.48Å; I482-A504 HydrophobicContact CB-CB 4.33Å; I482-N508 PolarHBondContact O-ND2 2.67Å
483D77.9Confident64.8Low86 Ų8692 Ų9246%0.4649%0.492SS..  trans-77.690.3167.8-174-6.9000110S481 R485 T486 E487S481-D483 PolarHBondContact O-N 3.44Å; D483-R485 PolarHBondContact O-N 2.98Å; D483-R485 VanDerWaalsContact O-N 3.08Å; D483-R485 WeakPolarHBondContact OD1-CB 3.32Å; D483-R485 PolarHBondContact OD1-N 3.22Å; D483-T486 HydrophobicContact CB-CG2 4.46Å; D483-T486 PolarHBondContact O-N 3.36Å; D483-T486 VanDerWaalsContact O-N 3.12Å; D483-T486 PolarHBondContact O-OG1 3.44Å; D483-T486 WeakPolarHBondContact OD2-CG2 3.44Å; D483-E487 PolarHBondContact O-N 2.99Å
484L80.5Confident67Low0 Ų082.6 Ų82.60%047%0.471CS..Hα-helixtrans-52.8-31.1-177.5-76178.5000113.3I482 T486 A488 L493 A504 N508 V510 I526 Y530I482-L484 HydrophobicContact CG2-CD2 4.27Å; I482-L484 PolarHBondContact O-N 3.21Å; I482-L484 VanDerWaalsContact O-N 3.14Å; L484-T486 PolarHBondContact O-N 3.1Å; L484-A488 VanDerWaalsContact O-CB 3.23Å; L484-A488 WeakPolarHBondContact O-CB 3.39Å; L484-A488 PolarHBondContact O-N 3.44Å; L484-L493 HydrophobicContact CD2-CD2 3.98Å; L484-A504 HydrophobicContact CD1-CB 4.1Å; L484-A504 HydrophobicContact CD2-CB 3.74Å; L484-A504 HydrophobicContact CG-CB 3.95Å; L484-N508 HydrophobicContact CD1-CB 3.85Å; L484-N508 WeakPolarHBondContact CD1-ND2 3.48Å; L484-V510 HydrophobicContact CD1-CG2 4.06Å; L484-I526 HydrophobicContact CB-CG2 4.28Å; L484-I526 HydrophobicContact CD1-CG1 4.48Å; L484-I526 HydrophobicContact CD2-CD1 4.04Å; L484-I526 HydrophobicContact CD2-CG2 4.37Å; L484-Y530 HydrophobicContact CB-CE2 3.62Å; L484-Y530 HydrophobicContact CD1-CE2 4.41Å
485R81.5Confident69.4Low139 Ų13981.6 Ų81.653%0.52547%0.467SS..Hα-helixtrans-66.8-39.3-177.5-169.2178.9-171.3-176.42.8111.8D483 K489 Y530D483-R485 PolarHBondContact O-N 2.98Å; D483-R485 VanDerWaalsContact O-N 3.08Å; D483-R485 WeakPolarHBondContact OD1-CB 3.32Å; D483-R485 PolarHBondContact OD1-N 3.22Å; R485-K489 WeakPolarHBondContact O-CG 3.37Å; R485-K489 PolarHBondContact O-N 2.78Å; R485-Y530 HydrophobicContact CB-CD1 4.01Å; R485-Y530 HydrophobicContact CB-CE1 3.96Å; R485-Y530 HydrophobicContact CB-CG 4.39Å; R485-Y530 HydrophobicContact CG-CD1 3.88Å; R485-Y530 HydrophobicContact CG-CE1 4.28Å; R485-Y530 HydrophobicContact CG-CG 4.31Å
486T82.5Confident71.7Confident69 Ų6981.3 Ų81.342%0.42345%0.445SS..Hα-helixtrans-75.2-40.8179.763.10000111.6D483 L484 A488 K489 N490D483-T486 HydrophobicContact CB-CG2 4.46Å; D483-T486 PolarHBondContact O-N 3.36Å; D483-T486 VanDerWaalsContact O-N 3.12Å; D483-T486 PolarHBondContact O-OG1 3.44Å; D483-T486 WeakPolarHBondContact OD2-CG2 3.44Å; L484-T486 PolarHBondContact O-N 3.1Å; T486-A488 VanDerWaalsContact C-N 3.34Å; T486-A488 PolarHBondContact O-N 3.34Å; T486-K489 PolarHBondContact O-N 3Å; T486-N490 WeakPolarHBondContact O-CB 3.49Å; T486-N490 PolarHBondContact O-N 3.47Å; T486-N490 VanDerWaalsContact O-N 3.12Å; T486-N490 PolarHBondContact O-ND2 2.94Å
487E83.1Confident74.1Confident20 Ų2079.1 Ų79.19%0.09344%0.436CS..Hα-helixtrans-67.8-34.2177.1-71.2-158.617100112.3I482 D483 N490 G491 L492 L493 R496I482-E487 HydrophobicContact CG2-CG 4.48Å; D483-E487 PolarHBondContact O-N 2.99Å; E487-N490 PolarHBondContact O-N 3.44Å; E487-G491 PolarHBondContact O-N 2.87Å; E487-L492 HydrophobicContact CB-CB 4.29Å; E487-L492 HydrophobicContact CG-CB 4.41Å; E487-L492 PolarHBondContact O-N 2.92Å; E487-L493 HydrophobicContact CB-CD2 3.75Å; E487-L493 HydrophobicContact CB-CG 4.28Å; E487-R496 IonicContact OE1-CZ 3.79Å; E487-R496 VanDerWaalsContact OE1-CZ 3.29Å; E487-R496 IonicContact OE1-NE 2.67Å; E487-R496 PolarHBondContact OE1-NE 3.22Å; E487-R496 IonicContact OE1-NH2 2.84Å; E487-R496 PolarHBondContact OE1-NH2 2.92Å; E487-R496 WeakPolarHBondContact OE2-CG 3.47Å; E487-R496 IonicContact OE2-NE 3.3Å; E487-R496 PolarHBondContact OE2-NE 3.01Å
488A82.9Confident76.2Confident7 Ų775.3 Ų75.36%0.05842%0.415CS..Hα-helixtrans-61.4-51.7172.600000111.1L484 T486 N490 G491 L493 I526 V532L484-A488 VanDerWaalsContact O-CB 3.23Å; L484-A488 WeakPolarHBondContact O-CB 3.39Å; L484-A488 PolarHBondContact O-N 3.44Å; T486-A488 VanDerWaalsContact C-N 3.34Å; T486-A488 PolarHBondContact O-N 3.34Å; A488-N490 PolarHBondContact O-N 3.3Å; A488-G491 PolarHBondContact O-N 3.31Å; A488-G491 VanDerWaalsContact O-N 3.11Å; A488-L493 HydrophobicContact CB-CD1 3.87Å; A488-I526 HydrophobicContact CB-CG2 4.37Å; A488-V532 HydrophobicContact CB-CB 4.27Å; A488-V532 HydrophobicContact CB-CG1 4.31Å; A488-V532 HydrophobicContact CB-CG2 4.33Å
489K83.1Confident78Confident133 Ų13370.7 Ų70.758%0.57841%0.405SS*.Hα-helixtrans-59.7-32.9179.5-77.1-174.6175.4-172.40113.7R485 T486 V532R485-K489 WeakPolarHBondContact O-CG 3.37Å; R485-K489 PolarHBondContact O-N 2.78Å; T486-K489 PolarHBondContact O-N 3Å; K489-V532 HydrophobicContact CB-CG1 4.47Å; K489-V532 HydrophobicContact CG-CG1 4.05Å; K489-V532 HydrophobicContact CG-CG2 3.87Å
490N82.6Confident79.9Confident114 Ų11471.4 Ų71.461%0.6141%0.407SS*.THydrogen-bonded Turntrans-91.81.6-178.1-66-24.2000113.4T486 E487 A488 L492T486-N490 WeakPolarHBondContact O-CB 3.49Å; T486-N490 PolarHBondContact O-N 3.47Å; T486-N490 VanDerWaalsContact O-N 3.12Å; T486-N490 PolarHBondContact O-ND2 2.94Å; E487-N490 PolarHBondContact O-N 3.44Å; A488-N490 PolarHBondContact O-N 3.3Å; N490-L492 HydrophobicContact CB-CD1 3.73Å; N490-L492 HydrophobicContact CB-CG 3.97Å; N490-L492 PolarHBondContact O-N 3.32Å
491G82.3Confident81.5Confident64 Ų6466.6 Ų66.666%0.6637%0.374SS*.THydrogen-bonded Turntrans65.122.6-178.300000114.3E487 A488E487-G491 PolarHBondContact O-N 2.87Å; A488-G491 PolarHBondContact O-N 3.31Å; A488-G491 VanDerWaalsContact O-N 3.11Å
492L83.4Confident82.6Confident65 Ų6566.1 Ų66.134%0.3436%0.355SS..  trans-88.5-12.4-173.2-71.5167.5000113.8E487 N490 G494 K495E487-L492 HydrophobicContact CB-CB 4.29Å; E487-L492 HydrophobicContact CG-CB 4.41Å; E487-L492 PolarHBondContact O-N 2.92Å; N490-L492 HydrophobicContact CB-CD1 3.73Å; N490-L492 HydrophobicContact CB-CG 3.97Å; N490-L492 PolarHBondContact O-N 3.32Å; L492-G494 PolarHBondContact O-N 3.38Å; L492-G494 VanDerWaalsContact O-N 3.08Å; L492-K495 HydrophobicContact CD2-CD 4.17Å; L492-K495 WeakPolarHBondContact O-CB 3.48Å; L492-K495 PolarHBondContact O-N 2.9Å
493L83.2Confident83.6Confident4 Ų469.2 Ų69.22%0.02137%0.372CS..G310 helixtrans-56.4-29.7-179.3-62.2173.7000112.8L484 E487 A488 K495 R496 L501 I523 I526L484-L493 HydrophobicContact CD2-CD2 3.98Å; E487-L493 HydrophobicContact CB-CD2 3.75Å; E487-L493 HydrophobicContact CB-CG 4.28Å; A488-L493 HydrophobicContact CB-CD1 3.87Å; L493-K495 PolarHBondContact O-N 3.39Å; L493-K495 VanDerWaalsContact O-N 3.14Å; L493-R496 PolarHBondContact O-N 3.5Å; L493-L501 HydrophobicContact CB-CD2 4.46Å; L493-L501 HydrophobicContact CD2-CD2 3.94Å; L493-I523 HydrophobicContact CB-CD1 4.36Å; L493-I523 HydrophobicContact CB-CG1 3.99Å; L493-I523 HydrophobicContact CB-CG2 4.17Å; L493-I523 HydrophobicContact CD1-CG2 4.1Å; L493-I526 HydrophobicContact CD1-CB 4.09Å; L493-I526 HydrophobicContact CD1-CD1 4.39Å; L493-I526 HydrophobicContact CD1-CG2 3.68Å; L493-I526 HydrophobicContact CD2-CD1 4.41Å; L493-I526 HydrophobicContact CD2-CG2 4.47Å
494G83.6Confident83.8Confident45 Ų4565.2 Ų65.246%0.46435%0.351SS..G310 helixtrans-62-17.8176.200000114.6L492 K519L492-G494 PolarHBondContact O-N 3.38Å; L492-G494 VanDerWaalsContact O-N 3.08Å; G494-K519 WeakPolarHBondContact O-CE 3.24Å; G494-K519 PolarHBondContact O-NZ 2.82Å
495K83.4Confident84.1Confident173 Ų17365.2 Ų65.275%0.75235%0.351SS*.G310 helixtrans-90.1-18179.3-66.5-178.1176.8176.80113.7L492 L493L492-K495 HydrophobicContact CD2-CD 4.17Å; L492-K495 WeakPolarHBondContact O-CB 3.48Å; L492-K495 PolarHBondContact O-N 2.9Å; L493-K495 PolarHBondContact O-N 3.39Å; L493-K495 VanDerWaalsContact O-N 3.14Å
496R84.2Confident84.2Confident92 Ų9262.4 Ų62.435%0.34736%0.358SS..SBendtrans-80.7156.2-177.1-62.3-59.6-175.5-177.20.7112E487 L493 L501 K519E487-R496 IonicContact OE1-CZ 3.79Å; E487-R496 VanDerWaalsContact OE1-CZ 3.29Å; E487-R496 IonicContact OE1-NE 2.67Å; E487-R496 PolarHBondContact OE1-NE 3.22Å; E487-R496 IonicContact OE1-NH2 2.84Å; E487-R496 PolarHBondContact OE1-NH2 2.92Å; E487-R496 WeakPolarHBondContact OE2-CG 3.47Å; E487-R496 IonicContact OE2-NE 3.3Å; E487-R496 PolarHBondContact OE2-NE 3.01Å; L493-R496 PolarHBondContact O-N 3.5Å; R496-L501 HydrophobicContact CB-CD1 4.49Å; R496-L501 HydrophobicContact CB-CD2 3.95Å; R496-L501 HydrophobicContact CB-CG 3.93Å; R496-K519 WeakPolarHBondContact O-CE 3.31Å; R496-K519 PolarHBondContact O-NZ 2.88Å
497T87.4Confident84.3Confident85 Ų8564.3 Ų64.352%0.52136%0.364SS..  trans-79.3160.4176.664.90000110.1A499 T500 L501T497-A499 PolarHBondContact O-N 3.44Å; T497-T500 PolarHBondContact N-OG1 3.34Å; T497-T500 VanDerWaalsContact N-OG1 3.13Å; T497-T500 PolarHBondContact O-N 3.14Å; T497-T500 PolarHBondContact O-OG1 3.11Å; T497-T500 PolarHBondContact OG1-N 2.79Å; T497-T500 PolarHBondContact OG1-OG1 2.88Å; T497-T500 VanDerWaalsContact OG1-OG1 3.14Å; T497-L501 WeakPolarHBondContact O-CG 3.46Å; T497-L501 PolarHBondContact O-N 3.23Å
498I85.9Confident84.3Confident74 Ų7466 Ų6638%0.37937%0.374SS..Hα-helixtrans-60.4-36.9178-65172.3000110.8L501 R502 K519 I522I498-L501 PolarHBondContact O-N 3.14Å; I498-R502 HydrophobicContact CG2-CG 4.43Å; I498-R502 WeakPolarHBondContact O-CG 3.42Å; I498-R502 PolarHBondContact O-N 3.12Å; I498-K519 HydrophobicContact CD1-CB 4.04Å; I498-K519 HydrophobicContact CG1-CB 3.78Å; I498-K519 HydrophobicContact CG1-CD 4.42Å; I498-K519 HydrophobicContact CG1-CG 4.11Å; I498-I522 HydrophobicContact CG2-CD1 3.82Å
499A84.6Confident84.2Confident66 Ų6668.2 Ų68.255%0.54540%0.397SS..Hα-helixtrans-65.1-44.917900000112.2T497 R502 N503T497-A499 PolarHBondContact O-N 3.44Å; A499-R502 PolarHBondContact O-N 3.27Å; A499-N503 PolarHBondContact O-N 3.39Å
500T85.5Confident84.3Confident34 Ų3462.2 Ų62.221%0.20937%0.372CS..Hα-helixtrans-67.8-38.4177.852.90000112T497 N503 A504T497-T500 PolarHBondContact N-OG1 3.34Å; T497-T500 VanDerWaalsContact N-OG1 3.13Å; T497-T500 PolarHBondContact O-N 3.14Å; T497-T500 PolarHBondContact O-OG1 3.11Å; T497-T500 PolarHBondContact OG1-N 2.79Å; T497-T500 PolarHBondContact OG1-OG1 2.88Å; T497-T500 VanDerWaalsContact OG1-OG1 3.14Å; T500-N503 PolarHBondContact O-N 3.28Å; T500-A504 VanDerWaalsContact O-CB 3.28Å; T500-A504 WeakPolarHBondContact O-CB 3.19Å; T500-A504 PolarHBondContact O-N 2.94Å
501L86.3Confident84.2Confident2 Ų261.3 Ų61.31%0.0137%0.372CS..Hα-helixtrans-63.3-43.1174.9-69.9172.2000111.9L493 R496 T497 I498 A504 C505 K519 I522 I523 I526L493-L501 HydrophobicContact CB-CD2 4.46Å; L493-L501 HydrophobicContact CD2-CD2 3.94Å; R496-L501 HydrophobicContact CB-CD1 4.49Å; R496-L501 HydrophobicContact CB-CD2 3.95Å; R496-L501 HydrophobicContact CB-CG 3.93Å; T497-L501 WeakPolarHBondContact O-CG 3.46Å; T497-L501 PolarHBondContact O-N 3.23Å; I498-L501 PolarHBondContact O-N 3.14Å; L501-A504 PolarHBondContact O-N 3.18Å; L501-C505 WeakPolarHBondContact O-CB 3.45Å; L501-C505 PolarHBondContact O-N 3.5Å; L501-C505 PolarHBondContact O-SG 3.01Å; L501-K519 HydrophobicContact CD1-CG 4.17Å; L501-I522 HydrophobicContact CB-CG2 3.85Å; L501-I522 HydrophobicContact CD1-CG2 4.41Å; L501-I523 HydrophobicContact CD1-CG1 4.12Å; L501-I526 HydrophobicContact CD2-CD1 3.94Å
502R86Confident84.2Confident94 Ų9460.8 Ų60.836%0.35535%0.354SS..Hα-helixtrans-64.1-43.4177.2-74.7-177.8179.9-159.1-3.5112.6I498 A499 C505 A506 L512 G515 M517 I522I498-R502 HydrophobicContact CG2-CG 4.43Å; I498-R502 WeakPolarHBondContact O-CG 3.42Å; I498-R502 PolarHBondContact O-N 3.12Å; A499-R502 PolarHBondContact O-N 3.27Å; R502-C505 PolarHBondContact O-N 2.77Å; R502-A506 PolarHBondContact O-N 3.18Å; R502-L512 HydrophobicContact CG-CD1 4.13Å; R502-G515 PolarHBondContact NH2-O 3.29Å; R502-M517 PolarHBondContact NH2-O 3Å; R502-I522 HydrophobicContact CG-CD1 3.97Å
503N85.1Confident83.8Confident87 Ų8767.1 Ų67.147%0.46538%0.375SS..Hα-helixtrans-63.4-43.6174.9-85.1-5.3000111.4A479 A499 T500 C505 A506 I507A479-N503 HydrophobicContact CB-CB 4.23Å; A499-N503 PolarHBondContact O-N 3.39Å; T500-N503 PolarHBondContact O-N 3.28Å; N503-C505 VanDerWaalsContact C-N 3.34Å; N503-C505 PolarHBondContact O-N 3.04Å; N503-A506 PolarHBondContact O-N 3.25Å; N503-I507 VanDerWaalsContact O-CG1 3.29Å; N503-I507 WeakPolarHBondContact O-CG1 3.46Å; N503-I507 PolarHBondContact O-N 3.02Å
504A83.8Confident82.8Confident2 Ų271.2 Ų71.22%0.01742%0.418CS..Hα-helixtrans-63-38.8176.600000112.2I482 L484 T500 L501 I507 N508I482-A504 HydrophobicContact CB-CB 4.33Å; L484-A504 HydrophobicContact CD1-CB 4.1Å; L484-A504 HydrophobicContact CD2-CB 3.74Å; L484-A504 HydrophobicContact CG-CB 3.95Å; T500-A504 VanDerWaalsContact O-CB 3.28Å; T500-A504 WeakPolarHBondContact O-CB 3.19Å; T500-A504 PolarHBondContact O-N 2.94Å; L501-A504 PolarHBondContact O-N 3.18Å; A504-I507 PolarHBondContact O-N 3.08Å; A504-N508 WeakPolarHBondContact O-CB 3.35Å; A504-N508 PolarHBondContact O-N 2.97Å; A504-N508 PolarHBondContact O-ND2 2.84Å
505C85.7Confident82.1Confident1 Ų171.6 Ų71.61%0.00742%0.421CS..Hα-helixtrans-64.5-40.6174-71.40000112.1L501 R502 N503 I507 N508 G509 V510 L512 I526L501-C505 WeakPolarHBondContact O-CB 3.45Å; L501-C505 PolarHBondContact O-N 3.5Å; L501-C505 PolarHBondContact O-SG 3.01Å; R502-C505 PolarHBondContact O-N 2.77Å; N503-C505 VanDerWaalsContact C-N 3.34Å; N503-C505 PolarHBondContact O-N 3.04Å; C505-I507 VanDerWaalsContact C-N 3.33Å; C505-I507 PolarHBondContact O-N 2.96Å; C505-N508 PolarHBondContact O-N 3.39Å; C505-G509 PolarHBondContact O-N 3.5Å; C505-V510 HydrophobicContact CB-CB 3.97Å; C505-V510 PolarHBondContact O-N 2.83Å; C505-L512 HydrophobicContact CB-CD1 3.71Å; C505-L512 HydrophobicContact CB-CG 4.03Å; C505-I526 VanDerWaalsContact SG-CG1 3.52Å
506A84.1Confident81.7Confident80 Ų8072.3 Ų72.366%0.66143%0.428SS*.Hα-helixtrans-64-38.1176.600000112.1R502 N503R502-A506 PolarHBondContact O-N 3.18Å; N503-A506 PolarHBondContact O-N 3.25Å
507I85.2Confident81.5Confident108 Ų10869.6 Ų69.655%0.55442%0.419SS*.Hα-helixtrans-70.9-43177.2-66.6164.9000111.5N503 A504 C505N503-I507 VanDerWaalsContact O-CG1 3.29Å; N503-I507 WeakPolarHBondContact O-CG1 3.46Å; N503-I507 PolarHBondContact O-N 3.02Å; A504-I507 PolarHBondContact O-N 3.08Å; C505-I507 VanDerWaalsContact C-N 3.33Å; C505-I507 PolarHBondContact O-N 2.96Å
508N81.8Confident81.4Confident56 Ų5674.4 Ų74.430%0.29943%0.428SS..Hα-helixtrans-88.92.4-175.6-71.5-71.3000114.2I482 L484 A504 C505 V510I482-N508 PolarHBondContact O-ND2 2.67Å; L484-N508 HydrophobicContact CD1-CB 3.85Å; L484-N508 WeakPolarHBondContact CD1-ND2 3.48Å; A504-N508 WeakPolarHBondContact O-CB 3.35Å; A504-N508 PolarHBondContact O-N 2.97Å; A504-N508 PolarHBondContact O-ND2 2.84Å; C505-N508 PolarHBondContact O-N 3.39Å; N508-V510 VanDerWaalsContact C-N 3.34Å; N508-V510 HydrophobicContact CB-CG2 4.38Å; N508-V510 PolarHBondContact O-N 3.31Å
509G82.2Confident81.5Confident53 Ų5374.1 Ų74.155%0.54642%0.424SS..THydrogen-bonded Turntrans70.623.8177.800000114.8C505 P511C505-G509 PolarHBondContact O-N 3.5Å; G509-P511 WeakPolarHBondContact O-CD 3.44Å
510V83.8Confident81.6Confident8 Ų874.2 Ų74.25%0.04843%0.425CS..PPolyproline II helixtrans-76.6116.4176-178.30000108.6L484 C505 N508 L512 I526 F529 Y530L484-V510 HydrophobicContact CD1-CG2 4.06Å; C505-V510 HydrophobicContact CB-CB 3.97Å; C505-V510 PolarHBondContact O-N 2.83Å; N508-V510 VanDerWaalsContact C-N 3.34Å; N508-V510 HydrophobicContact CB-CG2 4.38Å; N508-V510 PolarHBondContact O-N 3.31Å; V510-L512 PolarHBondContact O-N 3.43Å; V510-I526 HydrophobicContact CG1-CG1 4.4Å; V510-F529 HydrophobicContact CB-CG 4.43Å; V510-F529 HydrophobicContact CG1-CB 3.99Å; V510-F529 HydrophobicContact CG1-CD2 4.38Å; V510-F529 HydrophobicContact CG1-CG 4.15Å; V510-F529 HydrophobicContact CG2-CB 4.37Å; V510-F529 HydrophobicContact CG2-CD1 3.74Å; V510-F529 HydrophobicContact CG2-CD2 4.47Å; V510-F529 HydrophobicContact CG2-CE1 4.06Å; V510-F529 HydrophobicContact CG2-CG 3.95Å; V510-Y530 HydrophobicContact CG2-CE2 4.3Å
511P80.6Confident81.7Confident95 Ų9576 Ų7662%0.61743%0.431SS*.PPolyproline II helixtrans-70.6116.2-178.627.8-32.2000110.3G509G509-P511 WeakPolarHBondContact O-CD 3.44Å
512L82.9Confident81.8Confident52 Ų5276 Ų7627%0.27243%0.431SS..PPolyproline II helixtrans-100.1131.4169.1-61.8177.7000108.5R502 C505 V510 G514 M517 I522 A525R502-L512 HydrophobicContact CG-CD1 4.13Å; C505-L512 HydrophobicContact CB-CD1 3.71Å; C505-L512 HydrophobicContact CB-CG 4.03Å; V510-L512 PolarHBondContact O-N 3.43Å; L512-G514 PolarHBondContact O-N 2.88Å; L512-M517 HydrophobicContact CB-SD 4.19Å; L512-M517 HydrophobicContact CD2-SD 4.18Å; L512-I522 HydrophobicContact CD1-CG2 4.45Å; L512-I522 HydrophobicContact CD2-CG1 4.41Å; L512-I522 HydrophobicContact CD2-CG2 4.2Å; L512-A525 HydrophobicContact CD2-CB 3.88Å
513Y74.6Confident81.9Confident199 Ų19973.3 Ų73.378%0.7842%0.423SS*.PPolyproline II helixtrans-64.6133.7175.7-66.1-80000110G515 M517Y513-G515 PolarHBondContact O-N 3.13Å; Y513-M517 HydrophobicContact CD2-CE 3.89Å
514G61.8Low82Confident90 Ų9074.8 Ų74.893%0.92843%0.427SS*.SBendtrans-59.5110.6-178.300000111.7L512L512-G514 PolarHBondContact O-N 2.88Å
515G69.9Low82.2Confident52 Ų5275.8 Ų75.854%0.53644%0.435SS..SBendtrans163173.8-178.500000112.5R502 Y513 M517R502-G515 PolarHBondContact NH2-O 3.29Å; Y513-G515 PolarHBondContact O-N 3.13Å; G515-M517 PolarHBondContact O-N 3.21Å
516Q74.4Confident82.2Confident189 Ų18975.7 Ų75.788%0.88344%0.435SS*.  trans-76.173.6170.7-75.1-172.2-2300110.6
517M80Confident82.4Confident34 Ų3473.3 Ų73.317%0.16741%0.413CS..  trans-63.5137.1172.4-73.8-175126.200111.3R502 L512 Y513 G515 E521 I522R502-M517 PolarHBondContact NH2-O 3Å; L512-M517 HydrophobicContact CB-SD 4.19Å; L512-M517 HydrophobicContact CD2-SD 4.18Å; Y513-M517 HydrophobicContact CD2-CE 3.89Å; G515-M517 PolarHBondContact O-N 3.21Å; M517-E521 WeakPolarHBondContact CA-OE2 3.32Å; M517-E521 HydrophobicContact CB-CB 4.28Å; M517-E521 HydrophobicContact CE-CB 4.29Å; M517-I522 HydrophobicContact CB-CD1 4.3Å; M517-I522 HydrophobicContact CB-CG1 3.81Å
518R85Confident82.5Confident186 Ų18673.2 Ų73.270%0.70241%0.414SS*.  trans-69.9159.1173.2-59.6-177.4-162.2-174.45.8109.9A520 E521 I522R518-A520 PolarHBondContact O-N 3.2Å; R518-E521 HydrophobicContact CB-CG 4.32Å; R518-E521 PolarHBondContact N-OE2 3.45Å; R518-E521 IonicContact NE-OE1 3.51Å; R518-E521 PolarHBondContact O-N 3.49Å; R518-E521 VanDerWaalsContact O-N 3.11Å; R518-I522 PolarHBondContact O-N 2.93Å; R518-I522 VanDerWaalsContact O-N 3.13Å
519K87.9Confident82.7Confident68 Ų6875.2 Ų75.230%0.29642%0.42SS..Hα-helixtrans-53.6-41.3177.4-171.7177.1176.3173.20112.7G494 R496 I498 L501 I522 I523G494-K519 WeakPolarHBondContact O-CE 3.24Å; G494-K519 PolarHBondContact O-NZ 2.82Å; R496-K519 WeakPolarHBondContact O-CE 3.31Å; R496-K519 PolarHBondContact O-NZ 2.88Å; I498-K519 HydrophobicContact CD1-CB 4.04Å; I498-K519 HydrophobicContact CG1-CB 3.78Å; I498-K519 HydrophobicContact CG1-CD 4.42Å; I498-K519 HydrophobicContact CG1-CG 4.11Å; L501-K519 HydrophobicContact CD1-CG 4.17Å; K519-I522 PolarHBondContact O-N 3.49Å; K519-I523 HydrophobicContact CG-CD1 4.02Å; K519-I523 VanDerWaalsContact O-CG1 3.26Å; K519-I523 WeakPolarHBondContact O-CG1 3.44Å; K519-I523 PolarHBondContact O-N 3.35Å
520A87.8Confident82.9Confident69 Ų6975.1 Ų75.157%0.5740%0.403SS*.Hα-helixtrans-62.2-43.7178.600000112.4R518 I522 I523 E524R518-A520 PolarHBondContact O-N 3.2Å; A520-I522 VanDerWaalsContact C-N 3.34Å; A520-I522 PolarHBondContact O-N 3.27Å; A520-I523 PolarHBondContact O-N 3.08Å; A520-E524 WeakPolarHBondContact O-CB 3.48Å; A520-E524 PolarHBondContact O-N 3.14Å
521E87.4Confident82.8Confident72 Ų7282.1 Ų82.134%0.33644%0.44SS..Hα-helixtrans-65.8-36.6179.2-64.5160.8-163.600111.9M517 R518 E524 A525M517-E521 WeakPolarHBondContact CA-OE2 3.32Å; M517-E521 HydrophobicContact CB-CB 4.28Å; M517-E521 HydrophobicContact CE-CB 4.29Å; R518-E521 HydrophobicContact CB-CG 4.32Å; R518-E521 PolarHBondContact N-OE2 3.45Å; R518-E521 IonicContact NE-OE1 3.51Å; R518-E521 PolarHBondContact O-N 3.49Å; R518-E521 VanDerWaalsContact O-N 3.11Å; E521-E524 PolarHBondContact O-N 3.19Å; E521-A525 WeakPolarHBondContact O-CB 3.33Å; E521-A525 PolarHBondContact O-N 2.98Å
522I87.6Confident82.6Confident0 Ų081.8 Ų81.80%044%0.436CS..Hα-helixtrans-66.8-42.3174.7-63168.5000110.5I498 L501 R502 L512 M517 R518 K519 A520 E524 A525 I526I498-I522 HydrophobicContact CG2-CD1 3.82Å; L501-I522 HydrophobicContact CB-CG2 3.85Å; L501-I522 HydrophobicContact CD1-CG2 4.41Å; R502-I522 HydrophobicContact CG-CD1 3.97Å; L512-I522 HydrophobicContact CD1-CG2 4.45Å; L512-I522 HydrophobicContact CD2-CG1 4.41Å; L512-I522 HydrophobicContact CD2-CG2 4.2Å; M517-I522 HydrophobicContact CB-CD1 4.3Å; M517-I522 HydrophobicContact CB-CG1 3.81Å; R518-I522 PolarHBondContact O-N 2.93Å; R518-I522 VanDerWaalsContact O-N 3.13Å; K519-I522 PolarHBondContact O-N 3.49Å; A520-I522 VanDerWaalsContact C-N 3.34Å; A520-I522 PolarHBondContact O-N 3.27Å; I522-E524 VanDerWaalsContact C-N 3.34Å; I522-A525 PolarHBondContact O-N 2.99Å; I522-I526 HydrophobicContact CG2-CD1 3.98Å; I522-I526 WeakPolarHBondContact O-CD1 3.36Å; I522-I526 VanDerWaalsContact O-CG1 3.24Å; I522-I526 WeakPolarHBondContact O-CG1 3.23Å; I522-I526 PolarHBondContact O-N 3.49Å
523I88.5Confident82.6Confident39 Ų3983.3 Ų83.320%0.244%0.444CS..Hα-helixtrans-62.9-44.1176.5-67.3169.3000110.2L493 L501 K519 A520 A525 I526 C527L493-I523 HydrophobicContact CB-CD1 4.36Å; L493-I523 HydrophobicContact CB-CG1 3.99Å; L493-I523 HydrophobicContact CB-CG2 4.17Å; L493-I523 HydrophobicContact CD1-CG2 4.1Å; L501-I523 HydrophobicContact CD1-CG1 4.12Å; K519-I523 HydrophobicContact CG-CD1 4.02Å; K519-I523 VanDerWaalsContact O-CG1 3.26Å; K519-I523 WeakPolarHBondContact O-CG1 3.44Å; K519-I523 PolarHBondContact O-N 3.35Å; A520-I523 PolarHBondContact O-N 3.08Å; I523-A525 PolarHBondContact O-N 2.96Å; I523-I526 PolarHBondContact O-N 2.66Å; I523-C527 WeakPolarHBondContact O-CB 3.43Å; I523-C527 PolarHBondContact O-N 3.15Å
524E87.4Confident83Confident118 Ų11877.2 Ų77.255%0.55143%0.427SS*.Hα-helixtrans-62.6-41.5177.1-170.1178.6-178.900111.9A520 E521 I522 I526 C527 N528A520-E524 WeakPolarHBondContact O-CB 3.48Å; A520-E524 PolarHBondContact O-N 3.14Å; E521-E524 PolarHBondContact O-N 3.19Å; I522-E524 VanDerWaalsContact C-N 3.34Å; E524-I526 VanDerWaalsContact C-N 3.33Å; E524-I526 PolarHBondContact O-N 3.45Å; E524-C527 PolarHBondContact O-N 2.9Å; E524-N528 VanDerWaalsContact O-CB 3.31Å; E524-N528 WeakPolarHBondContact O-CB 3.38Å; E524-N528 PolarHBondContact O-N 3.49Å; E524-N528 PolarHBondContact O-ND2 3.02Å
525A86.6Confident84.2Confident22 Ų2276.4 Ų76.418%0.18240%0.399CS..Hα-helixtrans-61.6-39.217400000112.4L512 E521 I522 I523 F529L512-A525 HydrophobicContact CD2-CB 3.88Å; E521-A525 WeakPolarHBondContact O-CB 3.33Å; E521-A525 PolarHBondContact O-N 2.98Å; I522-A525 PolarHBondContact O-N 2.99Å; I523-A525 PolarHBondContact O-N 2.96Å; A525-F529 WeakPolarHBondContact O-CB 3.48Å; A525-F529 PolarHBondContact O-N 3.4Å
526I87.4Confident85Confident0 Ų077.9 Ų77.90%039%0.391CS..Hα-helixtrans-67.3-45.9175.5-64.6160.8000110.7L484 A488 L493 L501 C505 V510 I522 I523 E524 F529 Y530L484-I526 HydrophobicContact CB-CG2 4.28Å; L484-I526 HydrophobicContact CD1-CG1 4.48Å; L484-I526 HydrophobicContact CD2-CD1 4.04Å; L484-I526 HydrophobicContact CD2-CG2 4.37Å; A488-I526 HydrophobicContact CB-CG2 4.37Å; L493-I526 HydrophobicContact CD1-CB 4.09Å; L493-I526 HydrophobicContact CD1-CD1 4.39Å; L493-I526 HydrophobicContact CD1-CG2 3.68Å; L493-I526 HydrophobicContact CD2-CD1 4.41Å; L493-I526 HydrophobicContact CD2-CG2 4.47Å; L501-I526 HydrophobicContact CD2-CD1 3.94Å; C505-I526 VanDerWaalsContact SG-CG1 3.52Å; V510-I526 HydrophobicContact CG1-CG1 4.4Å; I522-I526 HydrophobicContact CG2-CD1 3.98Å; I522-I526 WeakPolarHBondContact O-CD1 3.36Å; I522-I526 VanDerWaalsContact O-CG1 3.24Å; I522-I526 WeakPolarHBondContact O-CG1 3.23Å; I522-I526 PolarHBondContact O-N 3.49Å; I523-I526 PolarHBondContact O-N 2.66Å; E524-I526 VanDerWaalsContact C-N 3.33Å; E524-I526 PolarHBondContact O-N 3.45Å; I526-F529 PolarHBondContact O-N 3.11Å; I526-Y530 HydrophobicContact CG2-CD2 3.92Å; I526-Y530 HydrophobicContact CG2-CE2 4.1Å; I526-Y530 WeakPolarHBondContact O-CD2 3.48Å; I526-Y530 PolarHBondContact O-N 3Å; I526-Y530 VanDerWaalsContact O-N 3.13Å
527C86.9Confident85.7Confident30 Ų3070.9 Ų70.920%0.20336%0.36CS..Hα-helixtrans-59.2-46.6176.4-810000111.8I523 E524 F529 Y530 N531 V532I523-C527 WeakPolarHBondContact O-CB 3.43Å; I523-C527 PolarHBondContact O-N 3.15Å; E524-C527 PolarHBondContact O-N 2.9Å; C527-F529 VanDerWaalsContact C-N 3.34Å; C527-F529 PolarHBondContact O-N 2.91Å; C527-Y530 PolarHBondContact O-N 3.32Å; C527-N531 WeakPolarHBondContact O-CA 3.47Å; C527-N531 PolarHBondContact O-N 3.44Å; C527-V532 VanDerWaalsContact CB-O 3.24Å; C527-V532 WeakPolarHBondContact CB-O 3.43Å; C527-V532 PolarHBondContact O-N 3.12Å
528N87.4Confident86Confident106 Ų10673.4 Ų73.457%0.56737%0.373SS*.Hα-helixtrans-64-36.8177.1-72.3-20.1000112.3E524E524-N528 VanDerWaalsContact O-CB 3.31Å; E524-N528 WeakPolarHBondContact O-CB 3.38Å; E524-N528 PolarHBondContact O-N 3.49Å; E524-N528 PolarHBondContact O-ND2 3.02Å
529F87.3Confident86.1Confident98 Ų9865.4 Ų65.443%0.4335%0.349SS..Hα-helixtrans-68-35.6178.1-173.6-94000112.8V510 A525 I526 C527V510-F529 HydrophobicContact CB-CG 4.43Å; V510-F529 HydrophobicContact CG1-CB 3.99Å; V510-F529 HydrophobicContact CG1-CD2 4.38Å; V510-F529 HydrophobicContact CG1-CG 4.15Å; V510-F529 HydrophobicContact CG2-CB 4.37Å; V510-F529 HydrophobicContact CG2-CD1 3.74Å; V510-F529 HydrophobicContact CG2-CD2 4.47Å; V510-F529 HydrophobicContact CG2-CE1 4.06Å; V510-F529 HydrophobicContact CG2-CG 3.95Å; A525-F529 WeakPolarHBondContact O-CB 3.48Å; A525-F529 PolarHBondContact O-N 3.4Å; I526-F529 PolarHBondContact O-N 3.11Å; C527-F529 VanDerWaalsContact C-N 3.34Å; C527-F529 PolarHBondContact O-N 2.91Å
530Y86.5Confident86Confident51 Ų5165.2 Ų65.220%0.235%0.354CS..Hα-helixtrans-980.5-179.8-69-68.4000114.6L484 R485 V510 I526 C527L484-Y530 HydrophobicContact CB-CE2 3.62Å; L484-Y530 HydrophobicContact CD1-CE2 4.41Å; R485-Y530 HydrophobicContact CB-CD1 4.01Å; R485-Y530 HydrophobicContact CB-CE1 3.96Å; R485-Y530 HydrophobicContact CB-CG 4.39Å; R485-Y530 HydrophobicContact CG-CD1 3.88Å; R485-Y530 HydrophobicContact CG-CE1 4.28Å; R485-Y530 HydrophobicContact CG-CG 4.31Å; V510-Y530 HydrophobicContact CG2-CE2 4.3Å; I526-Y530 HydrophobicContact CG2-CD2 3.92Å; I526-Y530 HydrophobicContact CG2-CE2 4.1Å; I526-Y530 WeakPolarHBondContact O-CD2 3.48Å; I526-Y530 PolarHBondContact O-N 3Å; I526-Y530 VanDerWaalsContact O-N 3.13Å; C527-Y530 PolarHBondContact O-N 3.32Å
531N81.3Confident85.8Confident154 Ų15464.8 Ų64.882%0.82434%0.335SS*.THydrogen-bonded Turntrans50.654.8-171.5-83.2-16.6000112.5C527C527-N531 WeakPolarHBondContact O-CA 3.47Å; C527-N531 PolarHBondContact O-N 3.44Å
532V75.8Confident85.7Confident88 Ų8864.2 Ų64.253%0.53334%0.335SS..  trans-120.10179-177.50000111.6A488 K489 C527A488-V532 HydrophobicContact CB-CB 4.27Å; A488-V532 HydrophobicContact CB-CG1 4.31Å; A488-V532 HydrophobicContact CB-CG2 4.33Å; K489-V532 HydrophobicContact CB-CG1 4.47Å; K489-V532 HydrophobicContact CG-CG1 4.05Å; K489-V532 HydrophobicContact CG-CG2 3.87Å; C527-V532 VanDerWaalsContact CB-O 3.24Å; C527-V532 WeakPolarHBondContact CB-O 3.43Å; C527-V532 PolarHBondContact O-N 3.12Å

Retrieved 532 of 532 residues in 608.3 ms (Link to these results)

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