A0A077ZIZ6_TRITR Loading...

Zf-CCHC domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZIZ6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 445 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
1M40Very low38Very low234 Ų234135.8 Ų135.8100%1.15385%0.852SS**  083.10-58.2-179.996.300105.2
2S39.2Very low38Very low115 Ų115135.4 Ų135.480%0.80486%0.857SS**  82.199.7108.1-51.80000109.6
3A40.9Very low37.8Very low83 Ų83130.4 Ų130.469%0.68685%0.847SS**  83.7127.29900000109.2
4D40.2Very low37.7Very low157 Ų157132.6 Ų132.684%0.8485%0.846SS**  cis-159.7155.622-82.7-47.3000109.5
5E36.8Very low37.8Very low186 Ų186136.4 Ų136.487%0.86985%0.851SS**  trans-58.5151152.7-70.8177.9114.900110.3
6V43.9Very low38Very low141 Ų141136.8 Ų136.886%0.85585%0.846SS**  trans-171.7125.2132.11550000109.7
7T37Very low38.3Very low136 Ų136134.8 Ų134.883%0.83484%0.837SS**  trans-55.9133.6170.347.70000114
8G37.1Very low39.5Very low81 Ų81133.4 Ų133.484%0.83583%0.828SS**  trans-114.6102.8170.900000112.1
9N34.8Very low41Very low170 Ų170129.3 Ų129.391%0.90980%0.804SS**  trans-54.5129.4173.6-101.9-15.7000113.2
10G33.3Very low42.9Very low75 Ų75127.4 Ų127.477%0.77379%0.788SS**  trans-129.266.3168.700000111
11S35.5Very low44.6Very low116 Ų116122 Ų12281%0.81176%0.755SS**  trans-15882.9174.8-64.80000111.1
12S37.7Very low46.7Very low131 Ų131121.3 Ų121.392%0.91674%0.739SS**  trans-130.3111.4159.2-84.70000105.4
13G35.2Very low49.1Very low70 Ų70118.4 Ų118.472%0.72272%0.719SS**  cis109.383.243.400000106.3M15G13-M15 PolarHBondContact O-N 3.12Å
14I36.5Very low51.3Low162 Ų162115 Ų11583%0.83169%0.689SS**  trans-61.6105173.1-62.4168.4000107
15M39.6Very low53.4Low189 Ų189111.4 Ų111.493%0.93167%0.67SS**  trans-123.295.2165.5-89.9-169.3169.400110.3G13G13-M15 PolarHBondContact O-N 3.12Å
16N41.3Very low55.3Low143 Ų143109.8 Ų109.877%0.76566%0.662SS**  trans-53.2132.2153.9-75.9-33.1000110.9
17C43.2Very low56.7Low103 Ų103106 Ų10670%0.69665%0.651SS**  17298122.9-98.10000109.5S19 N43C17-S19 PolarHBondContact O-N 3.49Å; C17-N43 PolarHBondContact O-OD1 3.43Å
18V58.9Low58.6Low110 Ų110101.4 Ų101.467%0.66762%0.622SS**  trans-81.973.5168.5-173.40000108.2L20 N43V18-L20 HydrophobicContact CG1-CD1 4.21Å; V18-L20 HydrophobicContact CG1-CG 4.09Å; V18-L20 PolarHBondContact O-N 3.42Å; V18-N43 WeakPolarHBondContact CA-OD1 3.29Å
19S68.9Low60.9Low55 Ų5597.6 Ų97.639%0.38558%0.582SS.*  trans-70.4111.7169.355.40000107.9C17 C39 N43C17-S19 PolarHBondContact O-N 3.49Å; S19-C39 WeakPolarHBondContact O-CB 3.48Å; S19-N43 PolarHBondContact O-ND2 3.06Å
20L77.8Confident63.2Low90 Ų9090.9 Ų90.947%0.47155%0.554SS.*PPolyproline II helixtrans-98.8139.1170-75.6158.9000108.7V18 W45 L57V18-L20 HydrophobicContact CG1-CD1 4.21Å; V18-L20 HydrophobicContact CG1-CG 4.09Å; V18-L20 PolarHBondContact O-N 3.42Å; L20-W45 HydrophobicContact CD2-CH2 3.53Å; L20-W45 HydrophobicContact CD2-CZ2 3.97Å; L20-L57 HydrophobicContact CD2-CD1 4.38Å
21P79.4Confident65.5Low16 Ų1689.8 Ų89.810%0.10453%0.528CS..PPolyproline II helixtrans-66.4159.5170.233.3-35.7000109W32 F36 L57P21-W32 HydrophobicContact CG-CZ2 4.4Å; P21-F36 HydrophobicContact CG-CB 4.22Å; P21-F36 HydrophobicContact CG-CD2 3.98Å; P21-L57 HydrophobicContact CG-CD1 3.82Å
22R84.8Confident68Low218 Ų21885.2 Ų85.282%0.82349%0.493SS*.PPolyproline II helixtrans-59.2153.3170.4-65.3-175.1179.5-175.1-1.5109.9W32R22-W32 PolarHBondContact O-NE1 3.48Å
23S88Confident70.5Confident55 Ų5579.6 Ų79.639%0.38545%0.453SS..PPolyproline II helixtrans-59.3150.2169.442.80000111.1L57 E59S23-L57 CarbonylContact C-O 3.48Å; S23-L57 WeakPolarHBondContact CA-O 3.43Å; S23-E59 WeakPolarHBondContact CB-OE1 3.33Å; S23-E59 VanDerWaalsContact OG-CD 3.3Å; S23-E59 PolarHBondContact OG-OE1 2.9Å
24F88.1Confident73Confident12 Ų1281.5 Ų81.55%0.05345%0.446CS..BIsolated β-bridgetrans-107.2113.2178.2-179.4-97.5000109.2F29 W32 L57 L58 E59 A62 L88F24-F29 AromaticContact CD1-CD2 3.89Å; F24-F29 HydrophobicContact CD1-CD2 3.89Å; F24-F29 HydrophobicContact CE1-CB 4.19Å; F24-F29 AromaticContact CE1-CD2 3.74Å; F24-F29 HydrophobicContact CE1-CD2 3.74Å; F24-F29 HydrophobicContact CE1-CG 4.41Å; F24-F29 HydrophobicContact CE2-CB 4.27Å; F24-F29 HydrophobicContact CE2-CD2 4.44Å; F24-F29 HydrophobicContact CG-CD2 4.32Å; F24-F29 HydrophobicContact CZ-CB 3.75Å; F24-F29 HydrophobicContact CZ-CD2 4.03Å; F24-F29 HydrophobicContact CZ-CG 4.4Å; F24-W32 HydrophobicContact CB-CD2 3.7Å; F24-W32 HydrophobicContact CB-CE3 4.32Å; F24-W32 HydrophobicContact CB-CG 3.85Å; F24-W32 HydrophobicContact CB-CZ2 4.08Å; F24-W32 HydrophobicContact CD2-CB 3.59Å; F24-W32 AromaticContact CD2-CD1 3.89Å; F24-W32 HydrophobicContact CD2-CD2 4.14Å; F24-W32 AromaticContact CD2-CG 3.57Å; F24-W32 HydrophobicContact CD2-CG 3.57Å; F24-W32 HydrophobicContact CE2-CB 4.08Å; F24-W32 HydrophobicContact CG-CB 4.4Å; F24-W32 HydrophobicContact CG-CD2 4.08Å; F24-W32 AromaticContact CG-CG 3.99Å; F24-W32 HydrophobicContact CG-CG 3.99Å; F24-L57 PolarHBondContact N-O 2.67Å; F24-L58 HydrophobicContact CB-CD2 4.21Å; F24-L58 HydrophobicContact CD1-CD2 4.19Å; F24-E59 PolarHBondContact O-N 3.48Å; F24-A62 HydrophobicContact CD1-CB 3.54Å; F24-A62 HydrophobicContact CE1-CB 3.76Å; F24-L88 HydrophobicContact CE1-CD1 3.9Å
25D83Confident75.4Confident81 Ų8180.4 Ų80.443%0.43343%0.431SS..SBendtrans-102.5-59.2169.9105.665000109.9E59D25-E59 HydrophobicContact CB-CB 3.9Å
26E76.6Confident77.8Confident151 Ų15171.4 Ų71.471%0.70639%0.387SS*.SBendtrans-133.3157-175.6-84.6173-159.900112.2
27G73.9Confident80.2Confident61 Ų6167.1 Ų67.163%0.62936%0.362SS*.SBendtrans114.4-151.917000000115.1F29G27-F29 PolarHBondContact O-N 3.08Å; G27-F29 VanDerWaalsContact O-N 3.09Å
28N77.6Confident82.4Confident40 Ų4067.4 Ų67.421%0.21436%0.356CS..  trans-8095.7-176.1-170.1-35.5000110.9G30 E31 W32N28-G30 PolarHBondContact O-N 3.27Å; N28-G30 WeakPolarHBondContact OD1-CA 3.46Å; N28-G30 PolarHBondContact OD1-N 3.35Å; N28-E31 HydrophobicContact CB-CB 4.22Å; N28-E31 PolarHBondContact O-N 3.16Å; N28-E31 VanDerWaalsContact O-N 3.14Å; N28-E31 PolarHBondContact OD1-N 2.98Å; N28-E31 VanDerWaalsContact OD1-N 3.1Å; N28-W32 PolarHBondContact O-N 3.3Å; N28-W32 VanDerWaalsContact O-N 3.1Å
29F84.4Confident83.7Confident1 Ų163 Ų630%0.00433%0.33CS..Hα-helixtrans-56.9-31.1177.3-175.6-111.6000113F24 G27 W32 L33 L58 L84 K85 L88F24-F29 AromaticContact CD1-CD2 3.89Å; F24-F29 HydrophobicContact CD1-CD2 3.89Å; F24-F29 HydrophobicContact CE1-CB 4.19Å; F24-F29 AromaticContact CE1-CD2 3.74Å; F24-F29 HydrophobicContact CE1-CD2 3.74Å; F24-F29 HydrophobicContact CE1-CG 4.41Å; F24-F29 HydrophobicContact CE2-CB 4.27Å; F24-F29 HydrophobicContact CE2-CD2 4.44Å; F24-F29 HydrophobicContact CG-CD2 4.32Å; F24-F29 HydrophobicContact CZ-CB 3.75Å; F24-F29 HydrophobicContact CZ-CD2 4.03Å; F24-F29 HydrophobicContact CZ-CG 4.4Å; G27-F29 PolarHBondContact O-N 3.08Å; G27-F29 VanDerWaalsContact O-N 3.09Å; F29-W32 AromaticContact CD2-CE3 3.95Å; F29-W32 HydrophobicContact CD2-CE3 3.95Å; F29-W32 HydrophobicContact CD2-CZ3 4.44Å; F29-W32 AromaticContact CE2-CE3 3.63Å; F29-W32 HydrophobicContact CE2-CE3 3.63Å; F29-W32 AromaticContact CE2-CZ3 3.69Å; F29-W32 HydrophobicContact CE2-CZ3 3.69Å; F29-W32 HydrophobicContact CZ-CE3 4.46Å; F29-W32 HydrophobicContact CZ-CZ3 4.33Å; F29-W32 PolarHBondContact O-N 3.37Å; F29-L33 HydrophobicContact CE1-CD2 4.44Å; F29-L33 HydrophobicContact CZ-CD1 4.44Å; F29-L33 WeakPolarHBondContact O-CB 3.48Å; F29-L33 PolarHBondContact O-N 3.14Å; F29-L58 HydrophobicContact CE2-CD2 4.06Å; F29-L84 HydrophobicContact CE1-CB 3.76Å; F29-L84 HydrophobicContact CZ-CB 3.83Å; F29-L84 HydrophobicContact CZ-CD1 4.01Å; F29-K85 HydrophobicContact CD1-CG 3.63Å; F29-K85 HydrophobicContact CE1-CG 3.92Å; F29-L88 HydrophobicContact CB-CD1 3.94Å; F29-L88 HydrophobicContact CD1-CD1 4.13Å; F29-L88 HydrophobicContact CD2-CD1 3.65Å; F29-L88 HydrophobicContact CE2-CD1 4.16Å; F29-L88 HydrophobicContact CG-CD1 3.63Å
30G83.4Confident84.7Confident30 Ų3060.4 Ų60.431%0.30931%0.311SS..Hα-helixtrans-65.6-42.1176.800000113.3N28 L34N28-G30 PolarHBondContact O-N 3.27Å; N28-G30 WeakPolarHBondContact OD1-CA 3.46Å; N28-G30 PolarHBondContact OD1-N 3.35Å; G30-L34 PolarHBondContact O-N 3.29Å; G30-L34 VanDerWaalsContact O-N 3.11Å
31E81.6Confident85.3Confident51 Ų5159.8 Ų59.824%0.23832%0.315CS..Hα-helixtrans-68.9-42.2175.6-170.7-174.315200111.4N28 L33 L34 R35 Q121N28-E31 HydrophobicContact CB-CB 4.22Å; N28-E31 PolarHBondContact O-N 3.16Å; N28-E31 VanDerWaalsContact O-N 3.14Å; N28-E31 PolarHBondContact OD1-N 2.98Å; N28-E31 VanDerWaalsContact OD1-N 3.1Å; E31-L33 VanDerWaalsContact C-N 3.32Å; E31-L33 PolarHBondContact O-N 2.94Å; E31-L34 WeakPolarHBondContact O-CB 3.41Å; E31-L34 PolarHBondContact O-N 3.1Å; E31-R35 PolarHBondContact O-N 3.43Å; E31-R35 IonicContact OE1-CZ 2.74Å; E31-R35 IonicContact OE1-NE 3.77Å; E31-R35 IonicContact OE1-NH2 3.48Å; E31-R35 PolarHBondContact OE1-NH2 3.24Å; E31-Q121 PolarHBondContact OE2-NE2 3.39Å
32W88.4Confident85.6Confident21 Ų2162 Ų628%0.0834%0.335CS..Hα-helixtrans-61.1-43.7175.3179.287.6000111.6P21 R22 F24 N28 F29 L34 R35 F36 L54 L57 L58P21-W32 HydrophobicContact CG-CZ2 4.4Å; R22-W32 PolarHBondContact O-NE1 3.48Å; F24-W32 HydrophobicContact CB-CD2 3.7Å; F24-W32 HydrophobicContact CB-CE3 4.32Å; F24-W32 HydrophobicContact CB-CG 3.85Å; F24-W32 HydrophobicContact CB-CZ2 4.08Å; F24-W32 HydrophobicContact CD2-CB 3.59Å; F24-W32 AromaticContact CD2-CD1 3.89Å; F24-W32 HydrophobicContact CD2-CD2 4.14Å; F24-W32 AromaticContact CD2-CG 3.57Å; F24-W32 HydrophobicContact CD2-CG 3.57Å; F24-W32 HydrophobicContact CE2-CB 4.08Å; F24-W32 HydrophobicContact CG-CB 4.4Å; F24-W32 HydrophobicContact CG-CD2 4.08Å; F24-W32 AromaticContact CG-CG 3.99Å; F24-W32 HydrophobicContact CG-CG 3.99Å; N28-W32 PolarHBondContact O-N 3.3Å; N28-W32 VanDerWaalsContact O-N 3.1Å; F29-W32 AromaticContact CD2-CE3 3.95Å; F29-W32 HydrophobicContact CD2-CE3 3.95Å; F29-W32 HydrophobicContact CD2-CZ3 4.44Å; F29-W32 AromaticContact CE2-CE3 3.63Å; F29-W32 HydrophobicContact CE2-CE3 3.63Å; F29-W32 AromaticContact CE2-CZ3 3.69Å; F29-W32 HydrophobicContact CE2-CZ3 3.69Å; F29-W32 HydrophobicContact CZ-CE3 4.46Å; F29-W32 HydrophobicContact CZ-CZ3 4.33Å; F29-W32 PolarHBondContact O-N 3.37Å; W32-L34 VanDerWaalsContact C-N 3.28Å; W32-L34 PolarHBondContact O-N 3.39Å; W32-R35 WeakPolarHBondContact O-CB 3.38Å; W32-R35 PolarHBondContact O-N 3.32Å; W32-F36 HydrophobicContact CE3-CB 4.44Å; W32-F36 HydrophobicContact CH2-CB 4.26Å; W32-F36 AromaticContact CH2-CD2 3.88Å; W32-F36 HydrophobicContact CH2-CD2 3.88Å; W32-F36 HydrophobicContact CH2-CG 4.24Å; W32-F36 HydrophobicContact CZ2-CB 4.49Å; W32-F36 HydrophobicContact CZ2-CD2 4.27Å; W32-F36 HydrophobicContact CZ3-CB 4.22Å; W32-F36 HydrophobicContact CZ3-CD2 4.48Å; W32-F36 HydrophobicContact CZ3-CG 4.41Å; W32-F36 PolarHBondContact O-N 3.16Å; W32-L54 HydrophobicContact CH2-CG 4.32Å; W32-L54 HydrophobicContact CZ3-CG 4.34Å; W32-L57 HydrophobicContact CH2-CB 4.15Å; W32-L57 HydrophobicContact CZ2-CB 3.73Å; W32-L57 HydrophobicContact CZ2-CD1 4.38Å; W32-L58 HydrophobicContact CH2-CD2 4.06Å; W32-L58 HydrophobicContact CZ3-CD2 4.15Å
33L89.7Confident85.7Confident12 Ų1253 Ų536%0.06330%0.303CS..Hα-helixtrans-61.5-37.6178.1-17266.8000111.5F29 E31 R35 F36 E37 L54 Y77 T81 K85F29-L33 HydrophobicContact CE1-CD2 4.44Å; F29-L33 HydrophobicContact CZ-CD1 4.44Å; F29-L33 WeakPolarHBondContact O-CB 3.48Å; F29-L33 PolarHBondContact O-N 3.14Å; E31-L33 VanDerWaalsContact C-N 3.32Å; E31-L33 PolarHBondContact O-N 2.94Å; L33-R35 VanDerWaalsContact C-N 3.34Å; L33-R35 PolarHBondContact O-N 3.34Å; L33-F36 HydrophobicContact CD1-CD1 4.29Å; L33-F36 WeakPolarHBondContact O-CB 3.5Å; L33-F36 PolarHBondContact O-N 3.03Å; L33-E37 VanDerWaalsContact O-CG 3.28Å; L33-E37 WeakPolarHBondContact O-CG 3.35Å; L33-E37 PolarHBondContact O-N 3.22Å; L33-L54 HydrophobicContact CD1-CD1 4.16Å; L33-Y77 WeakPolarHBondContact CD1-OH 3.49Å; L33-T81 HydrophobicContact CD1-CG2 3.74Å; L33-T81 HydrophobicContact CD2-CG2 4Å; L33-K85 VanDerWaalsContact CD2-CE 3.48Å
34L87.8Confident85.7Confident111 Ų11157.5 Ų57.558%0.58132%0.323SS*.Hα-helixtrans-60.3-43.3173.5-178.765.3000111.7G30 E31 W32 E37 I38G30-L34 PolarHBondContact O-N 3.29Å; G30-L34 VanDerWaalsContact O-N 3.11Å; E31-L34 WeakPolarHBondContact O-CB 3.41Å; E31-L34 PolarHBondContact O-N 3.1Å; W32-L34 VanDerWaalsContact C-N 3.28Å; W32-L34 PolarHBondContact O-N 3.39Å; L34-E37 PolarHBondContact O-N 3.4Å; L34-I38 HydrophobicContact CG-CD1 4.39Å; L34-I38 WeakPolarHBondContact O-CG1 3.35Å; L34-I38 PolarHBondContact O-N 3.18Å
35R87Confident85.7Confident138 Ų13858.7 Ų58.752%0.52133%0.327SS..Hα-helixtrans-65.9-40.3175.7-63.9-179.2-171.7-177.54.6111.8E31 W32 L33 E37 I38 C39E31-R35 PolarHBondContact O-N 3.43Å; E31-R35 IonicContact OE1-CZ 2.74Å; E31-R35 IonicContact OE1-NE 3.77Å; E31-R35 IonicContact OE1-NH2 3.48Å; E31-R35 PolarHBondContact OE1-NH2 3.24Å; W32-R35 WeakPolarHBondContact O-CB 3.38Å; W32-R35 PolarHBondContact O-N 3.32Å; L33-R35 VanDerWaalsContact C-N 3.34Å; L33-R35 PolarHBondContact O-N 3.34Å; R35-E37 VanDerWaalsContact C-N 3.27Å; R35-E37 PolarHBondContact O-N 3Å; R35-I38 PolarHBondContact O-N 3.41Å; R35-C39 PolarHBondContact O-N 2.92Å; R35-C39 PolarHBondContact O-SG 2.93Å
36F90.8Very high86Confident0 Ų059.1 Ų59.10%033%0.329CS..Hα-helixtrans-59-40.7173.4175.7-87.8000111.2P21 W32 L33 C39 S40 W45 K50 L54 L57 Y77P21-F36 HydrophobicContact CG-CB 4.22Å; P21-F36 HydrophobicContact CG-CD2 3.98Å; W32-F36 HydrophobicContact CE3-CB 4.44Å; W32-F36 HydrophobicContact CH2-CB 4.26Å; W32-F36 AromaticContact CH2-CD2 3.88Å; W32-F36 HydrophobicContact CH2-CD2 3.88Å; W32-F36 HydrophobicContact CH2-CG 4.24Å; W32-F36 HydrophobicContact CZ2-CB 4.49Å; W32-F36 HydrophobicContact CZ2-CD2 4.27Å; W32-F36 HydrophobicContact CZ3-CB 4.22Å; W32-F36 HydrophobicContact CZ3-CD2 4.48Å; W32-F36 HydrophobicContact CZ3-CG 4.41Å; W32-F36 PolarHBondContact O-N 3.16Å; L33-F36 HydrophobicContact CD1-CD1 4.29Å; L33-F36 WeakPolarHBondContact O-CB 3.5Å; L33-F36 PolarHBondContact O-N 3.03Å; F36-C39 PolarHBondContact O-N 3.05Å; F36-S40 VanDerWaalsContact O-CB 3.29Å; F36-S40 WeakPolarHBondContact O-CB 3.28Å; F36-S40 PolarHBondContact O-N 3.11Å; F36-W45 HydrophobicContact CE2-CE3 4.46Å; F36-W45 AromaticContact CE2-CZ3 3.72Å; F36-W45 HydrophobicContact CE2-CZ3 3.72Å; F36-W45 HydrophobicContact CZ-CE3 4.15Å; F36-W45 AromaticContact CZ-CZ3 3.85Å; F36-W45 HydrophobicContact CZ-CZ3 3.85Å; F36-K50 HydrophobicContact CE1-CB 4.05Å; F36-K50 HydrophobicContact CE1-CD 4.46Å; F36-K50 HydrophobicContact CE1-CG 4.16Å; F36-K50 HydrophobicContact CZ-CB 4.18Å; F36-K50 HydrophobicContact CZ-CG 4.47Å; F36-L54 HydrophobicContact CE1-CD1 4.46Å; F36-L54 HydrophobicContact CE2-CB 4.23Å; F36-L54 HydrophobicContact CZ-CB 3.98Å; F36-L57 HydrophobicContact CD2-CD1 3.81Å; F36-L57 HydrophobicContact CE2-CD1 3.77Å; F36-Y77 HydrophobicContact CD1-CE2 4.45Å; F36-Y77 WeakPolarHBondContact CD1-OH 3.31Å; F36-Y77 AromaticContact CE1-CE2 3.71Å; F36-Y77 HydrophobicContact CE1-CE2 3.71Å; F36-Y77 AromaticContact CE1-CZ 3.93Å; F36-Y77 WeakPolarHBondContact CE1-OH 3.25Å; F36-Y77 HydrophobicContact CZ-CE2 4.47Å
37E90.8Very high86.6Confident53 Ų5356.4 Ų56.425%0.24832%0.319CS..Hα-helixtrans-70.3-34.5178.6-71.3-76.2-142.500113.7L33 L34 R35 S40 S41 K50 Y77L33-E37 VanDerWaalsContact O-CG 3.28Å; L33-E37 WeakPolarHBondContact O-CG 3.35Å; L33-E37 PolarHBondContact O-N 3.22Å; L34-E37 PolarHBondContact O-N 3.4Å; R35-E37 VanDerWaalsContact C-N 3.27Å; R35-E37 PolarHBondContact O-N 3Å; E37-S40 WeakPolarHBondContact CA-OG 3.35Å; E37-S40 PolarHBondContact O-N 2.84Å; E37-S40 PolarHBondContact O-OG 3.23Å; E37-S40 PolarHBondContact OE2-OG 2.75Å; E37-S41 VanDerWaalsContact O-CB 3.31Å; E37-S41 WeakPolarHBondContact O-CB 3.28Å; E37-S41 PolarHBondContact O-N 3.36Å; E37-S41 PolarHBondContact O-OG 2.9Å; E37-K50 IonicContact OE1-NZ 3.31Å; E37-K50 WeakPolarHBondContact OE2-CE 3.47Å; E37-K50 IonicContact OE2-NZ 3.69Å; E37-K50 PolarHBondContact OE2-NZ 3.41Å; E37-Y77 WeakPolarHBondContact OE1-CE1 3.43Å; E37-Y77 PolarHBondContact OE1-OH 2.93Å
38I88.8Confident87.3Confident109 Ų10959.1 Ų59.156%0.55932%0.316SS*.Hα-helixtrans-63.5-45.6171.1-66.7163.9000109.9L34 R35 S41 A42L34-I38 HydrophobicContact CG-CD1 4.39Å; L34-I38 WeakPolarHBondContact O-CG1 3.35Å; L34-I38 PolarHBondContact O-N 3.18Å; R35-I38 PolarHBondContact O-N 3.41Å; I38-S41 PolarHBondContact O-N 2.99Å; I38-A42 WeakPolarHBondContact O-CB 3.33Å; I38-A42 PolarHBondContact O-N 3.47Å
39C87.7Confident87.8Confident18 Ų1859.5 Ų59.512%0.12232%0.32CS..Hα-helixtrans-66.1-39.6177.4-64.10000112S19 R35 F36 S41 A42 N43S19-C39 WeakPolarHBondContact O-CB 3.48Å; R35-C39 PolarHBondContact O-N 2.92Å; R35-C39 PolarHBondContact O-SG 2.93Å; F36-C39 PolarHBondContact O-N 3.05Å; C39-S41 VanDerWaalsContact C-N 3.32Å; C39-S41 PolarHBondContact O-N 2.94Å; C39-A42 PolarHBondContact O-N 2.89Å; C39-N43 WeakPolarHBondContact O-CB 3.39Å; C39-N43 VanDerWaalsContact O-CG 3.27Å; C39-N43 PolarHBondContact O-N 2.83Å; C39-N43 PolarHBondContact O-ND2 2.84Å
40S90.3Very high88.1Confident0 Ų060.5 Ų60.50%032%0.324CS..Hα-helixtrans-64.4-40.8178.780.80000110.6F36 E37 N43 N44 W45 K50F36-S40 VanDerWaalsContact O-CB 3.29Å; F36-S40 WeakPolarHBondContact O-CB 3.28Å; F36-S40 PolarHBondContact O-N 3.11Å; E37-S40 WeakPolarHBondContact CA-OG 3.35Å; E37-S40 PolarHBondContact O-N 2.84Å; E37-S40 PolarHBondContact O-OG 3.23Å; E37-S40 PolarHBondContact OE2-OG 2.75Å; S40-N43 CarbonylContact O-C 3.51Å; S40-N43 PolarHBondContact O-N 2.79Å; S40-N44 PolarHBondContact O-N 2.92Å; S40-W45 PolarHBondContact O-N 3.38Å; S40-K50 WeakPolarHBondContact OG-CE 3.3Å; S40-K50 PolarHBondContact OG-NZ 3.4Å
41S88.3Confident88.5Confident77 Ų7759.4 Ų59.454%0.53831%0.312SS..Hα-helixtrans-66.8-44.4175.9-570000111.5E37 I38 C39 N43 N44E37-S41 VanDerWaalsContact O-CB 3.31Å; E37-S41 WeakPolarHBondContact O-CB 3.28Å; E37-S41 PolarHBondContact O-N 3.36Å; E37-S41 PolarHBondContact O-OG 2.9Å; I38-S41 PolarHBondContact O-N 2.99Å; C39-S41 VanDerWaalsContact C-N 3.32Å; C39-S41 PolarHBondContact O-N 2.94Å; S41-N43 PolarHBondContact O-N 3.29Å; S41-N44 PolarHBondContact O-N 3.44Å; S41-N44 VanDerWaalsContact O-N 3.13Å
42A87.2Confident88.8Confident64 Ų6465.1 Ų65.153%0.52933%0.331SS..Hα-helixtrans-61.7-33.5175.900000112.6I38 C39I38-A42 WeakPolarHBondContact O-CB 3.33Å; I38-A42 PolarHBondContact O-N 3.47Å; C39-A42 PolarHBondContact O-N 2.89Å
43N86.9Confident88.7Confident29 Ų2970.1 Ų70.116%0.15535%0.35CS..THydrogen-bonded Turntrans-91.64.6177.9-65.3-52.1000114C17 V18 S19 C39 S40 S41 W45C17-N43 PolarHBondContact O-OD1 3.43Å; V18-N43 WeakPolarHBondContact CA-OD1 3.29Å; S19-N43 PolarHBondContact O-ND2 3.06Å; C39-N43 WeakPolarHBondContact O-CB 3.39Å; C39-N43 VanDerWaalsContact O-CG 3.27Å; C39-N43 PolarHBondContact O-N 2.83Å; C39-N43 PolarHBondContact O-ND2 2.84Å; S40-N43 CarbonylContact O-C 3.51Å; S40-N43 PolarHBondContact O-N 2.79Å; S41-N43 PolarHBondContact O-N 3.29Å; N43-W45 VanDerWaalsContact C-N 3.29Å; N43-W45 VanDerWaalsContact CB-CD1 3.47Å; N43-W45 HydrophobicContact CB-CD2 4.21Å; N43-W45 HydrophobicContact CB-CG 4.11Å; N43-W45 HydrophobicContact CB-CZ2 4.3Å; N43-W45 VanDerWaalsContact O-CD1 3.29Å; N43-W45 PolarHBondContact O-N 3.1Å
44N86.8Confident88.8Confident148 Ų14869.5 Ų69.579%0.79135%0.347SS*.THydrogen-bonded Turntrans52.440.7-176.1-61.9-53.5000114.3S40 S41S40-N44 PolarHBondContact O-N 2.92Å; S41-N44 PolarHBondContact O-N 3.44Å; S41-N44 VanDerWaalsContact O-N 3.13Å
45W88.3Confident88.7Confident38 Ų3864.9 Ų64.914%0.14432%0.323CS..  trans-76.8127.3178.1-66-4.8000111.5L20 F36 S40 N43 V49 K50 R53L20-W45 HydrophobicContact CD2-CH2 3.53Å; L20-W45 HydrophobicContact CD2-CZ2 3.97Å; F36-W45 HydrophobicContact CE2-CE3 4.46Å; F36-W45 AromaticContact CE2-CZ3 3.72Å; F36-W45 HydrophobicContact CE2-CZ3 3.72Å; F36-W45 HydrophobicContact CZ-CE3 4.15Å; F36-W45 AromaticContact CZ-CZ3 3.85Å; F36-W45 HydrophobicContact CZ-CZ3 3.85Å; S40-W45 PolarHBondContact O-N 3.38Å; N43-W45 VanDerWaalsContact C-N 3.29Å; N43-W45 VanDerWaalsContact CB-CD1 3.47Å; N43-W45 HydrophobicContact CB-CD2 4.21Å; N43-W45 HydrophobicContact CB-CG 4.11Å; N43-W45 HydrophobicContact CB-CZ2 4.3Å; N43-W45 VanDerWaalsContact O-CD1 3.29Å; N43-W45 PolarHBondContact O-N 3.1Å; W45-V49 HydrophobicContact CB-CB 4.19Å; W45-V49 HydrophobicContact CB-CG1 3.94Å; W45-V49 HydrophobicContact CD2-CG1 3.95Å; W45-V49 HydrophobicContact CG-CB 4.4Å; W45-V49 HydrophobicContact CG-CG1 3.62Å; W45-K50 HydrophobicContact CB-CG 3.91Å; W45-K50 HydrophobicContact CE3-CG 4.38Å; W45-K50 WeakPolarHBondContact O-CE 3.32Å; W45-R53 HydrophobicContact CE3-CB 4.21Å; W45-R53 HydrophobicContact CE3-CG 4.29Å; W45-R53 HydrophobicContact CH2-CB 3.9Å; W45-R53 HydrophobicContact CH2-CG 3.87Å; W45-R53 HydrophobicContact CZ2-CG 4.15Å; W45-R53 HydrophobicContact CZ3-CB 3.66Å; W45-R53 HydrophobicContact CZ3-CG 3.96Å
46N89.5Confident88.8Confident89 Ų8962.9 Ų62.948%0.47633%0.326SS..  trans-75.8167.1166.169.615.3000111.1E48 V49 K50N46-E48 PolarHBondContact O-N 3.42Å; N46-E48 PolarHBondContact OD1-N 3.22Å; N46-V49 PolarHBondContact O-N 3.06Å; N46-V49 WeakPolarHBondContact OD1-CB 3.4Å; N46-V49 WeakPolarHBondContact OD1-CG2 3.21Å; N46-V49 PolarHBondContact OD1-N 3.36Å; N46-K50 WeakPolarHBondContact O-CG 3.36Å; N46-K50 PolarHBondContact O-N 3.27Å
47D90Very high88.8Confident95 Ų9563.7 Ų63.751%0.50833%0.331SS..Hα-helixtrans-58.9-32.1-176.3-73.6-2.6000113.4K50 A51D47-K50 PolarHBondContact O-N 2.76Å; D47-K50 IonicContact OD1-NZ 3.03Å; D47-A51 WeakPolarHBondContact O-CB 3.21Å; D47-A51 PolarHBondContact O-N 2.85Å
48E88.3Confident88.8Confident117 Ų11761.6 Ų61.655%0.54732%0.321SS..Hα-helixtrans-66.3-44.2174.9-63.7-173.4-168.100112.4N46 K50 A51 R52N46-E48 PolarHBondContact O-N 3.42Å; N46-E48 PolarHBondContact OD1-N 3.22Å; E48-K50 VanDerWaalsContact C-N 3.34Å; E48-A51 PolarHBondContact O-N 3.33Å; E48-R52 WeakPolarHBondContact O-CG 3.34Å; E48-R52 PolarHBondContact O-N 3.35Å; E48-R52 VanDerWaalsContact O-N 3.13Å; E48-R52 IonicContact OE2-NH2 2.75Å; E48-R52 PolarHBondContact OE2-NH2 2.85Å
49V89Confident88.8Confident49 Ų4961.1 Ų61.130%0.29732%0.316SS..Hα-helixtrans-66.4-41.4176.81730000109.6W45 N46 A51 R52 R53W45-V49 HydrophobicContact CB-CB 4.19Å; W45-V49 HydrophobicContact CB-CG1 3.94Å; W45-V49 HydrophobicContact CD2-CG1 3.95Å; W45-V49 HydrophobicContact CG-CB 4.4Å; W45-V49 HydrophobicContact CG-CG1 3.62Å; N46-V49 PolarHBondContact O-N 3.06Å; N46-V49 WeakPolarHBondContact OD1-CB 3.4Å; N46-V49 WeakPolarHBondContact OD1-CG2 3.21Å; N46-V49 PolarHBondContact OD1-N 3.36Å; V49-A51 PolarHBondContact O-N 2.96Å; V49-R52 PolarHBondContact O-N 2.8Å; V49-R53 HydrophobicContact CG1-CG 4.02Å; V49-R53 WeakPolarHBondContact O-CB 3.31Å; V49-R53 VanDerWaalsContact O-CG 3.26Å; V49-R53 WeakPolarHBondContact O-CG 3.43Å; V49-R53 PolarHBondContact O-N 3.11Å
50K90.6Very high88.8Confident22 Ų2262.6 Ų62.610%0.09634%0.335CS..Hα-helixtrans-58.1-47.2174.7-67.1-179-166.2-171.70111.5F36 E37 S40 W45 N46 D47 E48 R52 R53 L54 Y77F36-K50 HydrophobicContact CE1-CB 4.05Å; F36-K50 HydrophobicContact CE1-CD 4.46Å; F36-K50 HydrophobicContact CE1-CG 4.16Å; F36-K50 HydrophobicContact CZ-CB 4.18Å; F36-K50 HydrophobicContact CZ-CG 4.47Å; E37-K50 IonicContact OE1-NZ 3.31Å; E37-K50 WeakPolarHBondContact OE2-CE 3.47Å; E37-K50 IonicContact OE2-NZ 3.69Å; E37-K50 PolarHBondContact OE2-NZ 3.41Å; S40-K50 WeakPolarHBondContact OG-CE 3.3Å; S40-K50 PolarHBondContact OG-NZ 3.4Å; W45-K50 HydrophobicContact CB-CG 3.91Å; W45-K50 HydrophobicContact CE3-CG 4.38Å; W45-K50 WeakPolarHBondContact O-CE 3.32Å; N46-K50 WeakPolarHBondContact O-CG 3.36Å; N46-K50 PolarHBondContact O-N 3.27Å; D47-K50 PolarHBondContact O-N 2.76Å; D47-K50 IonicContact OD1-NZ 3.03Å; E48-K50 VanDerWaalsContact C-N 3.34Å; K50-R52 VanDerWaalsContact C-N 3.29Å; K50-R52 PolarHBondContact O-N 3.07Å; K50-R53 PolarHBondContact O-N 3.47Å; K50-L54 VanDerWaalsContact O-CB 3.28Å; K50-L54 WeakPolarHBondContact O-CB 3.46Å; K50-L54 PolarHBondContact O-N 2.64Å; K50-Y77 HydrophobicContact CB-CD2 3.51Å; K50-Y77 HydrophobicContact CB-CE2 3.65Å; K50-Y77 HydrophobicContact CB-CG 3.99Å; K50-Y77 HydrophobicContact CD-CD1 4.14Å; K50-Y77 HydrophobicContact CD-CD2 4.43Å; K50-Y77 HydrophobicContact CD-CE1 3.92Å; K50-Y77 HydrophobicContact CD-CE2 4.21Å; K50-Y77 HydrophobicContact CD-CG 4.4Å; K50-Y77 HydrophobicContact CG-CE2 4.49Å
51A89.9Confident88.5Confident6 Ų669.6 Ų69.65%0.0537%0.368CS..Hα-helixtrans-62.1-34.5178.600000113D47 E48 V49 P55 L80D47-A51 WeakPolarHBondContact O-CB 3.21Å; D47-A51 PolarHBondContact O-N 2.85Å; E48-A51 PolarHBondContact O-N 3.33Å; V49-A51 PolarHBondContact O-N 2.96Å; A51-P55 WeakPolarHBondContact O-CD 3.41Å; A51-L80 HydrophobicContact CB-CD2 4.39Å
52R88Confident88.5Confident172 Ų17266 Ų6665%0.64934%0.342SS*.Hα-helixtrans-77-32.9175.6-65.8178.4-143.4-171.87113.1E48 V49 K50E48-R52 WeakPolarHBondContact O-CG 3.34Å; E48-R52 PolarHBondContact O-N 3.35Å; E48-R52 VanDerWaalsContact O-N 3.13Å; E48-R52 IonicContact OE2-NH2 2.75Å; E48-R52 PolarHBondContact OE2-NH2 2.85Å; V49-R52 PolarHBondContact O-N 2.8Å; K50-R52 VanDerWaalsContact C-N 3.29Å; K50-R52 PolarHBondContact O-N 3.07Å
53R88.1Confident88.6Confident125 Ų12566.5 Ų66.547%0.47233%0.333SS..Hα-helixtrans-84-36.8-177.3-71.1-69.1-175.4-177.80.5113.2W45 V49 K50 T56W45-R53 HydrophobicContact CE3-CB 4.21Å; W45-R53 HydrophobicContact CE3-CG 4.29Å; W45-R53 HydrophobicContact CH2-CB 3.9Å; W45-R53 HydrophobicContact CH2-CG 3.87Å; W45-R53 HydrophobicContact CZ2-CG 4.15Å; W45-R53 HydrophobicContact CZ3-CB 3.66Å; W45-R53 HydrophobicContact CZ3-CG 3.96Å; V49-R53 HydrophobicContact CG1-CG 4.02Å; V49-R53 WeakPolarHBondContact O-CB 3.31Å; V49-R53 VanDerWaalsContact O-CG 3.26Å; V49-R53 WeakPolarHBondContact O-CG 3.43Å; V49-R53 PolarHBondContact O-N 3.11Å; K50-R53 PolarHBondContact O-N 3.47Å; R53-T56 WeakPolarHBondContact O-CB 3.27Å; R53-T56 PolarHBondContact O-N 3.03Å; R53-T56 PolarHBondContact O-OG1 3.46Å
54L89.8Confident88.7Confident0 Ų070 Ų700%035%0.351CS..G310 helixtrans-50.2-51.7-178.7-172.3150.6000113.4W32 L33 F36 K50 T56 L57 L58 Y77 L80 T81 L84W32-L54 HydrophobicContact CH2-CG 4.32Å; W32-L54 HydrophobicContact CZ3-CG 4.34Å; L33-L54 HydrophobicContact CD1-CD1 4.16Å; F36-L54 HydrophobicContact CE1-CD1 4.46Å; F36-L54 HydrophobicContact CE2-CB 4.23Å; F36-L54 HydrophobicContact CZ-CB 3.98Å; K50-L54 VanDerWaalsContact O-CB 3.28Å; K50-L54 WeakPolarHBondContact O-CB 3.46Å; K50-L54 PolarHBondContact O-N 2.64Å; L54-T56 PolarHBondContact O-N 2.92Å; L54-L57 PolarHBondContact O-N 2.94Å; L54-L58 HydrophobicContact CD2-CD1 3.67Å; L54-L58 HydrophobicContact CD2-CD2 4.24Å; L54-L58 HydrophobicContact CD2-CG 4.03Å; L54-Y77 HydrophobicContact CD1-CD2 4.43Å; L54-Y77 HydrophobicContact CD1-CE2 3.73Å; L54-L80 HydrophobicContact CD2-CD2 4.24Å; L54-T81 HydrophobicContact CD1-CG2 3.95Å; L54-L84 HydrophobicContact CD2-CD1 3.44Å; L54-L84 VanDerWaalsContact CD2-CD1 3.44Å
55P87.6Confident88.7Confident13 Ų1363.8 Ų63.88%0.08432%0.32CS..G310 helixtrans-65.9-22.3-178.526.1-35.8000113.7A51 L57 L58 F63 Y66A51-P55 WeakPolarHBondContact O-CD 3.41Å; P55-L57 PolarHBondContact O-N 2.71Å; P55-L58 PolarHBondContact O-N 2.98Å; P55-F63 HydrophobicContact CB-CE2 4.41Å; P55-Y66 HydrophobicContact CB-CD1 3.8Å; P55-Y66 HydrophobicContact CB-CD2 4.18Å; P55-Y66 HydrophobicContact CB-CE1 3.55Å; P55-Y66 HydrophobicContact CB-CE2 3.93Å; P55-Y66 HydrophobicContact CB-CG 4.1Å; P55-Y66 HydrophobicContact CG-CE1 4.16Å; P55-Y66 HydrophobicContact CG-CE2 4.16Å
56T88.3Confident88.7Confident96 Ų9663.9 Ų63.959%0.58932%0.321SS*.G310 helixtrans-72.6-11.717668.90000113.3R53 L54R53-T56 WeakPolarHBondContact O-CB 3.27Å; R53-T56 PolarHBondContact O-N 3.03Å; R53-T56 PolarHBondContact O-OG1 3.46Å; L54-T56 PolarHBondContact O-N 2.92Å
57L90.5Very high88.8Confident18 Ų1864.6 Ų64.69%0.09432%0.321CS..G310 helixtrans-112.25.2179.4-60.8163.1000112L20 P21 S23 F24 W32 F36 L54 P55L20-L57 HydrophobicContact CD2-CD1 4.38Å; P21-L57 HydrophobicContact CG-CD1 3.82Å; S23-L57 CarbonylContact C-O 3.48Å; S23-L57 WeakPolarHBondContact CA-O 3.43Å; F24-L57 PolarHBondContact N-O 2.67Å; W32-L57 HydrophobicContact CH2-CB 4.15Å; W32-L57 HydrophobicContact CZ2-CB 3.73Å; W32-L57 HydrophobicContact CZ2-CD1 4.38Å; F36-L57 HydrophobicContact CD2-CD1 3.81Å; F36-L57 HydrophobicContact CE2-CD1 3.77Å; L54-L57 PolarHBondContact O-N 2.94Å; P55-L57 PolarHBondContact O-N 2.71Å
58L90.4Very high88.7Confident9 Ų965.3 Ų65.35%0.04733%0.333CS..BIsolated β-bridgetrans-95135.8172.8-58.2-177.8000109.3F24 F29 W32 L54 P55 A62 F63 L84F24-L58 HydrophobicContact CB-CD2 4.21Å; F24-L58 HydrophobicContact CD1-CD2 4.19Å; F29-L58 HydrophobicContact CE2-CD2 4.06Å; W32-L58 HydrophobicContact CH2-CD2 4.06Å; W32-L58 HydrophobicContact CZ3-CD2 4.15Å; L54-L58 HydrophobicContact CD2-CD1 3.67Å; L54-L58 HydrophobicContact CD2-CD2 4.24Å; L54-L58 HydrophobicContact CD2-CG 4.03Å; P55-L58 PolarHBondContact O-N 2.98Å; L58-A62 HydrophobicContact CB-CB 4.19Å; L58-A62 HydrophobicContact CD2-CB 4.18Å; L58-F63 HydrophobicContact CB-CB 4.07Å; L58-F63 HydrophobicContact CB-CD2 4.33Å; L58-L84 HydrophobicContact CD1-CD1 3.96Å; L58-L84 HydrophobicContact CD1-CD2 4.32Å
59E89.2Confident88.8Confident98 Ų9860.6 Ų60.646%0.45831%0.311SS..  trans-122.9166.2174.8-70-178.9-163.100109.7S23 F24 D25 E61 A62 F63S23-E59 WeakPolarHBondContact CB-OE1 3.33Å; S23-E59 VanDerWaalsContact OG-CD 3.3Å; S23-E59 PolarHBondContact OG-OE1 2.9Å; F24-E59 PolarHBondContact O-N 3.48Å; D25-E59 HydrophobicContact CB-CB 3.9Å; E59-E61 PolarHBondContact O-N 3.09Å; E59-A62 WeakPolarHBondContact O-CB 3.36Å; E59-A62 PolarHBondContact O-N 3.31Å; E59-F63 PolarHBondContact O-N 3.13Å
60G88.2Confident88.8Confident50 Ų5061.7 Ų61.752%0.51532%0.319SS..Hα-helixtrans54.7-134.5172.500000115A62 F63 L64G60-A62 PolarHBondContact O-N 3.23Å; G60-F63 PolarHBondContact O-N 2.94Å; G60-L64 PolarHBondContact O-N 3.14Å
61E84.3Confident88.6Confident147 Ų14765.1 Ų65.169%0.68734%0.339SS*.Hα-helixtrans-61.2-31.3-178.6-64.8-167.316500112.7E59 F63 L64 A65E59-E61 PolarHBondContact O-N 3.09Å; E61-F63 PolarHBondContact O-N 2.84Å; E61-L64 PolarHBondContact O-N 2.83Å; E61-A65 WeakPolarHBondContact O-CB 3.19Å; E61-A65 PolarHBondContact O-N 2.7Å
62A87.4Confident88.5Confident0 Ų068.7 Ų68.70%036%0.357CS..Hα-helixtrans-65.6-40.1178.600000112.4F24 L58 E59 G60 A65 Y66 L88F24-A62 HydrophobicContact CD1-CB 3.54Å; F24-A62 HydrophobicContact CE1-CB 3.76Å; L58-A62 HydrophobicContact CB-CB 4.19Å; L58-A62 HydrophobicContact CD2-CB 4.18Å; E59-A62 WeakPolarHBondContact O-CB 3.36Å; E59-A62 PolarHBondContact O-N 3.31Å; G60-A62 PolarHBondContact O-N 3.23Å; A62-A65 PolarHBondContact O-N 2.91Å; A62-Y66 PolarHBondContact O-N 3.03Å; A62-L88 HydrophobicContact CB-CD1 4.24Å; A62-L88 HydrophobicContact CB-CD2 3.99Å
63F89.6Confident88.5Confident76 Ų7660.8 Ų60.833%0.33333%0.327SS..Hα-helixtrans-70.8-37.1175.7-172.2-115.4000112P55 L58 E59 G60 E61 A65 Y66 Q67P55-F63 HydrophobicContact CB-CE2 4.41Å; L58-F63 HydrophobicContact CB-CB 4.07Å; L58-F63 HydrophobicContact CB-CD2 4.33Å; E59-F63 PolarHBondContact O-N 3.13Å; G60-F63 PolarHBondContact O-N 2.94Å; E61-F63 PolarHBondContact O-N 2.84Å; F63-A65 VanDerWaalsContact C-N 3.33Å; F63-A65 PolarHBondContact O-N 2.9Å; F63-Y66 HydrophobicContact CD2-CD1 4.36Å; F63-Y66 HydrophobicContact CE2-CD1 4.14Å; F63-Y66 WeakPolarHBondContact O-CB 3.33Å; F63-Y66 PolarHBondContact O-N 3.02Å; F63-Q67 HydrophobicContact CE1-CG 4.34Å; F63-Q67 WeakPolarHBondContact O-CG 3.35Å; F63-Q67 PolarHBondContact O-N 3.42Å
64L88.6Confident88.5Confident102 Ų10257.6 Ų57.653%0.53432%0.315SS..Hα-helixtrans-62.2-41.9173.5-66.3175.8000111.5G60 E61 Y66 Q67 C68G60-L64 PolarHBondContact O-N 3.14Å; E61-L64 PolarHBondContact O-N 2.83Å; L64-Y66 VanDerWaalsContact C-N 3.31Å; L64-Y66 PolarHBondContact O-N 3.21Å; L64-Q67 WeakPolarHBondContact O-CB 3.25Å; L64-Q67 PolarHBondContact O-N 3.41Å; L64-Q67 VanDerWaalsContact O-N 3.09Å; L64-C68 PolarHBondContact O-N 3.21Å; L64-C68 PolarHBondContact O-SG 2.91Å
65A87.3Confident88.2Confident17 Ų1767.2 Ų67.214%0.1435%0.352CS..Hα-helixtrans-59.3-42.4175.400000111.7E61 A62 F63 Q67 C68 L84 L88E61-A65 WeakPolarHBondContact O-CB 3.19Å; E61-A65 PolarHBondContact O-N 2.7Å; A62-A65 PolarHBondContact O-N 2.91Å; F63-A65 VanDerWaalsContact C-N 3.33Å; F63-A65 PolarHBondContact O-N 2.9Å; A65-Q67 VanDerWaalsContact C-N 3.34Å; A65-Q67 PolarHBondContact O-N 2.94Å; A65-C68 PolarHBondContact O-N 2.89Å; A65-L84 HydrophobicContact CB-CD2 4.21Å; A65-L88 HydrophobicContact CB-CD2 4.3Å
66Y88.9Confident88.2Confident41 Ų4170.4 Ų70.416%0.16137%0.368CS..Hα-helixtrans-59.5-40.7173172.4-101.1000113P55 A62 F63 L64 C68 L69 R74 L80P55-Y66 HydrophobicContact CB-CD1 3.8Å; P55-Y66 HydrophobicContact CB-CD2 4.18Å; P55-Y66 HydrophobicContact CB-CE1 3.55Å; P55-Y66 HydrophobicContact CB-CE2 3.93Å; P55-Y66 HydrophobicContact CB-CG 4.1Å; P55-Y66 HydrophobicContact CG-CE1 4.16Å; P55-Y66 HydrophobicContact CG-CE2 4.16Å; A62-Y66 PolarHBondContact O-N 3.03Å; F63-Y66 HydrophobicContact CD2-CD1 4.36Å; F63-Y66 HydrophobicContact CE2-CD1 4.14Å; F63-Y66 WeakPolarHBondContact O-CB 3.33Å; F63-Y66 PolarHBondContact O-N 3.02Å; L64-Y66 VanDerWaalsContact C-N 3.31Å; L64-Y66 PolarHBondContact O-N 3.21Å; Y66-C68 PolarHBondContact O-N 2.85Å; Y66-L69 PolarHBondContact O-N 3.27Å; Y66-L69 VanDerWaalsContact O-N 3.16Å; Y66-R74 HydrophobicContact CD2-CG 4.38Å; Y66-R74 HydrophobicContact CE2-CB 4.11Å; Y66-R74 HydrophobicContact CE2-CG 3.66Å; Y66-R74 PolarHBondContact O-NE 3.45Å; Y66-R74 PolarHBondContact O-NH2 3.18Å; Y66-L80 HydrophobicContact CD2-CD1 3.6Å; Y66-L80 HydrophobicContact CE2-CD1 3.75Å; Y66-L80 HydrophobicContact CE2-CD2 4.43Å
67Q89.9Confident88.3Confident103 Ų10366.5 Ų66.548%0.48134%0.343SS..Hα-helixtrans-65.9-23.6177.6-71.2-175.2-2.200113.5F63 L64 A65 R74F63-Q67 HydrophobicContact CE1-CG 4.34Å; F63-Q67 WeakPolarHBondContact O-CG 3.35Å; F63-Q67 PolarHBondContact O-N 3.42Å; L64-Q67 WeakPolarHBondContact O-CB 3.25Å; L64-Q67 PolarHBondContact O-N 3.41Å; L64-Q67 VanDerWaalsContact O-N 3.09Å; A65-Q67 VanDerWaalsContact C-N 3.34Å; A65-Q67 PolarHBondContact O-N 2.94Å; Q67-R74 VanDerWaalsContact CA-NH2 3.33Å; Q67-R74 PolarHBondContact O-NH2 3.28Å
68C88.9Confident88.2Confident111 Ų11167.2 Ų67.275%0.7536%0.355SS*.Hα-helixtrans-81.8-13.7175.1-65.30000113.7L64 A65 Y66L64-C68 PolarHBondContact O-N 3.21Å; L64-C68 PolarHBondContact O-SG 2.91Å; A65-C68 PolarHBondContact O-N 2.89Å; Y66-C68 PolarHBondContact O-N 2.85Å
69L89.5Confident88.2Confident17 Ų1772.2 Ų72.29%0.08937%0.373CS..SBendtrans-78.1140.8-179.4-60.7178.7000112Y66 V73 R74 L80 E83 L84Y66-L69 PolarHBondContact O-N 3.27Å; Y66-L69 VanDerWaalsContact O-N 3.16Å; L69-V73 HydrophobicContact CB-CG1 4.42Å; L69-V73 HydrophobicContact CD1-CG1 4.18Å; L69-R74 HydrophobicContact CB-CG 4.39Å; L69-R74 PolarHBondContact O-NE 3.47Å; L69-R74 PolarHBondContact O-NH2 3.27Å; L69-L80 HydrophobicContact CD1-CD1 3.85Å; L69-E83 HydrophobicContact CD1-CB 4Å; L69-E83 HydrophobicContact CD2-CB 3.68Å; L69-E83 HydrophobicContact CD2-CG 4.44Å; L69-L84 HydrophobicContact CD1-CD2 4.14Å; L69-L84 HydrophobicContact CD1-CG 4.03Å
70P89.6Confident88.2Confident73 Ų7367.5 Ų67.547%0.47435%0.351SS..  trans-69.6155.1175.426.5-31.7000112.8D72 V73 R74P70-D72 VanDerWaalsContact C-N 3.26Å; P70-D72 VanDerWaalsContact CB-OD1 3.26Å; P70-D72 WeakPolarHBondContact CB-OD1 3.41Å; P70-D72 WeakPolarHBondContact CG-OD1 3.5Å; P70-D72 PolarHBondContact O-N 2.83Å; P70-V73 HydrophobicContact CG-CB 4.5Å; P70-V73 HydrophobicContact CG-CG2 3.97Å; P70-V73 WeakPolarHBondContact O-CB 3.34Å; P70-V73 PolarHBondContact O-N 2.92Å; P70-R74 PolarHBondContact O-N 3.38Å
71D87.2Confident88.3Confident94 Ų9465.7 Ų65.750%0.50333%0.33SS..Hα-helixtrans-63.4-27.5-170.7-74-25.5000114.2V73 R74 R75D71-V73 VanDerWaalsContact C-N 3.29Å; D71-V73 PolarHBondContact O-N 3.32Å; D71-R74 PolarHBondContact O-N 3.27Å; D71-R74 IonicContact OD1-CZ 3Å; D71-R74 IonicContact OD1-NH1 3.67Å; D71-R74 PolarHBondContact OD1-NH1 3.49Å; D71-R75 WeakPolarHBondContact O-CG 3.27Å; D71-R75 PolarHBondContact O-N 2.77Å
72D87.1Confident88.5Confident81 Ų8162.1 Ų62.143%0.43332%0.318SS..Hα-helixtrans-65.3-34.3175.369.2-58.4000111.8P70 R79P70-D72 VanDerWaalsContact C-N 3.26Å; P70-D72 VanDerWaalsContact CB-OD1 3.26Å; P70-D72 WeakPolarHBondContact CB-OD1 3.41Å; P70-D72 WeakPolarHBondContact CG-OD1 3.5Å; P70-D72 PolarHBondContact O-N 2.83Å; D72-R79 IonicContact OD2-CZ 3.27Å; D72-R79 VanDerWaalsContact OD2-CZ 3.31Å; D72-R79 IonicContact OD2-NH1 2.67Å; D72-R79 PolarHBondContact OD2-NH1 2.85Å; D72-R79 IonicContact OD2-NH2 3.04Å; D72-R79 PolarHBondContact OD2-NH2 3.22Å
73V88.5Confident88.5Confident5 Ų565.8 Ų65.83%0.0334%0.335CS..Hα-helixtrans-74.2-42.7175.5173.50000110.4L69 P70 D71 R75 N76 R79 E83L69-V73 HydrophobicContact CB-CG1 4.42Å; L69-V73 HydrophobicContact CD1-CG1 4.18Å; P70-V73 HydrophobicContact CG-CB 4.5Å; P70-V73 HydrophobicContact CG-CG2 3.97Å; P70-V73 WeakPolarHBondContact O-CB 3.34Å; P70-V73 PolarHBondContact O-N 2.92Å; D71-V73 VanDerWaalsContact C-N 3.29Å; D71-V73 PolarHBondContact O-N 3.32Å; V73-R75 PolarHBondContact O-N 2.88Å; V73-N76 PolarHBondContact O-N 3.38Å; V73-N76 VanDerWaalsContact O-N 3.16Å; V73-N76 VanDerWaalsContact O-O 3.07Å; V73-R79 HydrophobicContact CG1-CB 4.17Å; V73-E83 HydrophobicContact CG1-CB 4.02Å; V73-E83 HydrophobicContact CG1-CG 3.77Å; V73-E83 HydrophobicContact CG2-CG 4.48Å
74R86.9Confident88.4Confident58 Ų5862.1 Ų62.122%0.21932%0.319CS..Hα-helixtrans-60.9-30.9-177.6-65.4178.9179.4151.11.2113.8Y66 Q67 L69 P70 D71Y66-R74 HydrophobicContact CD2-CG 4.38Å; Y66-R74 HydrophobicContact CE2-CB 4.11Å; Y66-R74 HydrophobicContact CE2-CG 3.66Å; Y66-R74 PolarHBondContact O-NE 3.45Å; Y66-R74 PolarHBondContact O-NH2 3.18Å; Q67-R74 VanDerWaalsContact CA-NH2 3.33Å; Q67-R74 PolarHBondContact O-NH2 3.28Å; L69-R74 HydrophobicContact CB-CG 4.39Å; L69-R74 PolarHBondContact O-NE 3.47Å; L69-R74 PolarHBondContact O-NH2 3.27Å; P70-R74 PolarHBondContact O-N 3.38Å; D71-R74 PolarHBondContact O-N 3.27Å; D71-R74 IonicContact OD1-CZ 3Å; D71-R74 IonicContact OD1-NH1 3.67Å; D71-R74 PolarHBondContact OD1-NH1 3.49Å
75R83.8Confident88.3Confident203 Ų20361.4 Ų61.477%0.76631%0.312SS*.THydrogen-bonded Turntrans-78.5-19.8-179.5-68.8177.3-173.3-175.33.4113.7D71 V73D71-R75 WeakPolarHBondContact O-CG 3.27Å; D71-R75 PolarHBondContact O-N 2.77Å; V73-R75 PolarHBondContact O-N 2.88Å
76N88.5Confident88.1Confident80 Ų8065 Ų6543%0.42833%0.328SS..  trans-108.6110-178.1-177-58000109.8V73 G78 R79 L80V73-N76 PolarHBondContact O-N 3.38Å; V73-N76 VanDerWaalsContact O-N 3.16Å; V73-N76 VanDerWaalsContact O-O 3.07Å; N76-G78 VanDerWaalsContact C-N 3.31Å; N76-G78 PolarHBondContact O-N 2.91Å; N76-G78 PolarHBondContact OD1-N 2.87Å; N76-G78 VanDerWaalsContact OD1-N 3.11Å; N76-R79 HydrophobicContact CB-CB 4.16Å; N76-R79 HydrophobicContact CB-CG 4.28Å; N76-R79 PolarHBondContact O-N 3.2Å; N76-R79 PolarHBondContact OD1-N 2.87Å; N76-L80 VanDerWaalsContact O-CB 3.26Å; N76-L80 WeakPolarHBondContact O-CB 3.15Å; N76-L80 PolarHBondContact O-N 2.85Å
77Y89.7Confident87.8Confident13 Ų1365.4 Ų65.45%0.05134%0.337CS..Hα-helixtrans-55.6-41-176180-105.7000113.9L33 F36 E37 K50 L54 L80 T81L33-Y77 WeakPolarHBondContact CD1-OH 3.49Å; F36-Y77 HydrophobicContact CD1-CE2 4.45Å; F36-Y77 WeakPolarHBondContact CD1-OH 3.31Å; F36-Y77 AromaticContact CE1-CE2 3.71Å; F36-Y77 HydrophobicContact CE1-CE2 3.71Å; F36-Y77 AromaticContact CE1-CZ 3.93Å; F36-Y77 WeakPolarHBondContact CE1-OH 3.25Å; F36-Y77 HydrophobicContact CZ-CE2 4.47Å; E37-Y77 WeakPolarHBondContact OE1-CE1 3.43Å; E37-Y77 PolarHBondContact OE1-OH 2.93Å; K50-Y77 HydrophobicContact CB-CD2 3.51Å; K50-Y77 HydrophobicContact CB-CE2 3.65Å; K50-Y77 HydrophobicContact CB-CG 3.99Å; K50-Y77 HydrophobicContact CD-CD1 4.14Å; K50-Y77 HydrophobicContact CD-CD2 4.43Å; K50-Y77 HydrophobicContact CD-CE1 3.92Å; K50-Y77 HydrophobicContact CD-CE2 4.21Å; K50-Y77 HydrophobicContact CD-CG 4.4Å; K50-Y77 HydrophobicContact CG-CE2 4.49Å; L54-Y77 HydrophobicContact CD1-CD2 4.43Å; L54-Y77 HydrophobicContact CD1-CE2 3.73Å; Y77-L80 PolarHBondContact O-N 3.37Å; Y77-T81 HydrophobicContact CD1-CG2 4.48Å; Y77-T81 HydrophobicContact CD2-CG2 4.09Å; Y77-T81 HydrophobicContact CE1-CG2 4.02Å; Y77-T81 HydrophobicContact CE2-CG2 3.61Å; Y77-T81 HydrophobicContact CG-CG2 4.5Å; Y77-T81 WeakPolarHBondContact O-CG2 3.38Å; Y77-T81 PolarHBondContact O-N 2.77Å; Y77-T81 PolarHBondContact O-OG1 3.05Å
78G89Confident87.3Confident34 Ų3462.6 Ų62.635%0.35133%0.326SS..Hα-helixtrans-65.4-43.3178.800000112.8N76 T81 T82N76-G78 VanDerWaalsContact C-N 3.31Å; N76-G78 PolarHBondContact O-N 2.91Å; N76-G78 PolarHBondContact OD1-N 2.87Å; N76-G78 VanDerWaalsContact OD1-N 3.11Å; G78-T81 PolarHBondContact O-OG1 2.85Å; G78-T81 VanDerWaalsContact O-OG1 3.1Å; G78-T82 WeakPolarHBondContact O-CB 3.12Å; G78-T82 PolarHBondContact O-N 2.61Å; G78-T82 PolarHBondContact O-OG1 2.88Å
79R89.2Confident86.7Confident113 Ų11360.1 Ų60.143%0.42631%0.305SS..Hα-helixtrans-68.6-44175.3-66.4-176.468.2-155.9-2.8111.2D72 V73 N76 T81 T82 E83D72-R79 IonicContact OD2-CZ 3.27Å; D72-R79 VanDerWaalsContact OD2-CZ 3.31Å; D72-R79 IonicContact OD2-NH1 2.67Å; D72-R79 PolarHBondContact OD2-NH1 2.85Å; D72-R79 IonicContact OD2-NH2 3.04Å; D72-R79 PolarHBondContact OD2-NH2 3.22Å; V73-R79 HydrophobicContact CG1-CB 4.17Å; N76-R79 HydrophobicContact CB-CB 4.16Å; N76-R79 HydrophobicContact CB-CG 4.28Å; N76-R79 PolarHBondContact O-N 3.2Å; N76-R79 PolarHBondContact OD1-N 2.87Å; R79-T81 PolarHBondContact O-N 2.79Å; R79-T82 PolarHBondContact O-N 3.36Å; R79-E83 WeakPolarHBondContact O-CG 3.16Å; R79-E83 PolarHBondContact O-N 2.98Å
80L90Very high85.7Confident0 Ų062.6 Ų62.60%032%0.322CS..Hα-helixtrans-54.6-50.9177.517360.4000112A51 L54 Y66 L69 N76 Y77 T82 E83 L84A51-L80 HydrophobicContact CB-CD2 4.39Å; L54-L80 HydrophobicContact CD2-CD2 4.24Å; Y66-L80 HydrophobicContact CD2-CD1 3.6Å; Y66-L80 HydrophobicContact CE2-CD1 3.75Å; Y66-L80 HydrophobicContact CE2-CD2 4.43Å; L69-L80 HydrophobicContact CD1-CD1 3.85Å; N76-L80 VanDerWaalsContact O-CB 3.26Å; N76-L80 WeakPolarHBondContact O-CB 3.15Å; N76-L80 PolarHBondContact O-N 2.85Å; Y77-L80 PolarHBondContact O-N 3.37Å; L80-T82 VanDerWaalsContact C-N 3.34Å; L80-T82 PolarHBondContact O-N 2.73Å; L80-E83 PolarHBondContact O-N 2.64Å; L80-L84 HydrophobicContact CD1-CD1 3.69Å; L80-L84 HydrophobicContact CD1-CG 4.06Å; L80-L84 HydrophobicContact CG-CD1 4.03Å; L80-L84 VanDerWaalsContact O-CB 3.32Å; L80-L84 WeakPolarHBondContact O-CB 3.46Å; L80-L84 WeakPolarHBondContact O-CG 3.37Å; L80-L84 PolarHBondContact O-N 3.11Å
81T90.7Very high84.3Confident12 Ų1265.9 Ų65.97%0.07434%0.343CS..Hα-helixtrans-67.8-34.3-179.152.60000112.7L33 L54 Y77 G78 R79 K85L33-T81 HydrophobicContact CD1-CG2 3.74Å; L33-T81 HydrophobicContact CD2-CG2 4Å; L54-T81 HydrophobicContact CD1-CG2 3.95Å; Y77-T81 HydrophobicContact CD1-CG2 4.48Å; Y77-T81 HydrophobicContact CD2-CG2 4.09Å; Y77-T81 HydrophobicContact CE1-CG2 4.02Å; Y77-T81 HydrophobicContact CE2-CG2 3.61Å; Y77-T81 HydrophobicContact CG-CG2 4.5Å; Y77-T81 WeakPolarHBondContact O-CG2 3.38Å; Y77-T81 PolarHBondContact O-N 2.77Å; Y77-T81 PolarHBondContact O-OG1 3.05Å; G78-T81 PolarHBondContact O-OG1 2.85Å; G78-T81 VanDerWaalsContact O-OG1 3.1Å; R79-T81 PolarHBondContact O-N 2.79Å; T81-K85 WeakPolarHBondContact O-CB 3.38Å; T81-K85 VanDerWaalsContact O-CG 3.25Å; T81-K85 WeakPolarHBondContact O-CG 3.44Å; T81-K85 PolarHBondContact O-N 3.09Å
82T87.6Confident83.3Confident71 Ų7163.8 Ų63.844%0.43634%0.344SS..Hα-helixtrans-68.2-47.3176.6-56.60000111.2G78 R79 L80 K85 N86G78-T82 WeakPolarHBondContact O-CB 3.12Å; G78-T82 PolarHBondContact O-N 2.61Å; G78-T82 PolarHBondContact O-OG1 2.88Å; R79-T82 PolarHBondContact O-N 3.36Å; L80-T82 VanDerWaalsContact C-N 3.34Å; L80-T82 PolarHBondContact O-N 2.73Å; T82-K85 WeakPolarHBondContact O-CB 3.41Å; T82-K85 PolarHBondContact O-N 2.97Å; T82-N86 VanDerWaalsContact O-CG 3.26Å; T82-N86 PolarHBondContact O-N 2.94Å; T82-N86 PolarHBondContact O-ND2 3.1Å
83E87.9Confident82.8Confident77 Ų7761.6 Ų61.636%0.3634%0.335SS..Hα-helixtrans-69.6-34.1178.6-67.8-56.9151.800112.6L69 V73 R79 L80 N86 S87L69-E83 HydrophobicContact CD1-CB 4Å; L69-E83 HydrophobicContact CD2-CB 3.68Å; L69-E83 HydrophobicContact CD2-CG 4.44Å; V73-E83 HydrophobicContact CG1-CB 4.02Å; V73-E83 HydrophobicContact CG1-CG 3.77Å; V73-E83 HydrophobicContact CG2-CG 4.48Å; R79-E83 WeakPolarHBondContact O-CG 3.16Å; R79-E83 PolarHBondContact O-N 2.98Å; L80-E83 PolarHBondContact O-N 2.64Å; E83-N86 PolarHBondContact O-N 3.39Å; E83-S87 WeakPolarHBondContact O-CB 3.45Å; E83-S87 PolarHBondContact O-N 3.16Å; E83-S87 PolarHBondContact O-OG 2.94Å
84L88.5Confident82.3Confident0 Ų063.2 Ų63.20%035%0.348CS..Hα-helixtrans-65.4-41.3171.1-78.3173.6000112.1F29 L54 L58 A65 L69 L80 N86 S87 L88F29-L84 HydrophobicContact CE1-CB 3.76Å; F29-L84 HydrophobicContact CZ-CB 3.83Å; F29-L84 HydrophobicContact CZ-CD1 4.01Å; L54-L84 HydrophobicContact CD2-CD1 3.44Å; L54-L84 VanDerWaalsContact CD2-CD1 3.44Å; L58-L84 HydrophobicContact CD1-CD1 3.96Å; L58-L84 HydrophobicContact CD1-CD2 4.32Å; A65-L84 HydrophobicContact CB-CD2 4.21Å; L69-L84 HydrophobicContact CD1-CD2 4.14Å; L69-L84 HydrophobicContact CD1-CG 4.03Å; L80-L84 HydrophobicContact CD1-CD1 3.69Å; L80-L84 HydrophobicContact CD1-CG 4.06Å; L80-L84 HydrophobicContact CG-CD1 4.03Å; L80-L84 VanDerWaalsContact O-CB 3.32Å; L80-L84 WeakPolarHBondContact O-CB 3.46Å; L80-L84 WeakPolarHBondContact O-CG 3.37Å; L80-L84 PolarHBondContact O-N 3.11Å; L84-N86 VanDerWaalsContact C-N 3.31Å; L84-N86 PolarHBondContact O-N 2.64Å; L84-S87 WeakPolarHBondContact CA-OG 3.34Å; L84-S87 PolarHBondContact O-N 3.34Å; L84-S87 PolarHBondContact O-OG 3.07Å; L84-S87 VanDerWaalsContact O-OG 3.11Å; L84-L88 VanDerWaalsContact O-CB 3.29Å; L84-L88 WeakPolarHBondContact O-CB 3.35Å; L84-L88 VanDerWaalsContact O-CG 3.26Å; L84-L88 WeakPolarHBondContact O-CG 3.34Å; L84-L88 PolarHBondContact O-N 3.27Å
85K85.8Confident82.1Confident87 Ų8770.3 Ų70.338%0.37838%0.375SS..Hα-helixtrans-58.6-44.7172.8-79.8172.1-178.8175.30111.3F29 L33 T81 T82 L89F29-K85 HydrophobicContact CD1-CG 3.63Å; F29-K85 HydrophobicContact CE1-CG 3.92Å; L33-K85 VanDerWaalsContact CD2-CE 3.48Å; T81-K85 WeakPolarHBondContact O-CB 3.38Å; T81-K85 VanDerWaalsContact O-CG 3.25Å; T81-K85 WeakPolarHBondContact O-CG 3.44Å; T81-K85 PolarHBondContact O-N 3.09Å; T82-K85 WeakPolarHBondContact O-CB 3.41Å; T82-K85 PolarHBondContact O-N 2.97Å; K85-L89 WeakPolarHBondContact O-CB 3.33Å; K85-L89 PolarHBondContact O-N 3.12Å
86N82.7Confident82Confident91 Ų9163.7 Ų63.749%0.48736%0.364SS..Hα-helixtrans-70-36.9-178.7-67.3-20.4000113T82 E83 L84 L89T82-N86 VanDerWaalsContact O-CG 3.26Å; T82-N86 PolarHBondContact O-N 2.94Å; T82-N86 PolarHBondContact O-ND2 3.1Å; E83-N86 PolarHBondContact O-N 3.39Å; L84-N86 VanDerWaalsContact C-N 3.31Å; L84-N86 PolarHBondContact O-N 2.64Å; N86-L89 CarbonylContact O-C 3.32Å; N86-L89 VanDerWaalsContact O-C 3.32Å
87S82.4Confident81.8Confident50 Ų5060.4 Ų60.435%0.3535%0.348SS..Hα-helixtrans-74.5-38.1179.154.70000112.4E83 L84E83-S87 WeakPolarHBondContact O-CB 3.45Å; E83-S87 PolarHBondContact O-N 3.16Å; E83-S87 PolarHBondContact O-OG 2.94Å; L84-S87 WeakPolarHBondContact CA-OG 3.34Å; L84-S87 PolarHBondContact O-N 3.34Å; L84-S87 PolarHBondContact O-OG 3.07Å; L84-S87 VanDerWaalsContact O-OG 3.11Å
88L80.8Confident81.6Confident45 Ų4563.3 Ų63.324%0.23636%0.361CS..Hα-helixtrans-77.7-23.2176.8-64.7169000113.1F24 F29 A62 A65 L84 P90F24-L88 HydrophobicContact CE1-CD1 3.9Å; F29-L88 HydrophobicContact CB-CD1 3.94Å; F29-L88 HydrophobicContact CD1-CD1 4.13Å; F29-L88 HydrophobicContact CD2-CD1 3.65Å; F29-L88 HydrophobicContact CE2-CD1 4.16Å; F29-L88 HydrophobicContact CG-CD1 3.63Å; A62-L88 HydrophobicContact CB-CD1 4.24Å; A62-L88 HydrophobicContact CB-CD2 3.99Å; A65-L88 HydrophobicContact CB-CD2 4.3Å; L84-L88 VanDerWaalsContact O-CB 3.29Å; L84-L88 WeakPolarHBondContact O-CB 3.35Å; L84-L88 VanDerWaalsContact O-CG 3.26Å; L84-L88 WeakPolarHBondContact O-CG 3.34Å; L84-L88 PolarHBondContact O-N 3.27Å; L88-P90 WeakPolarHBondContact O-CD 3.27Å
89L75.3Confident81.5Confident59 Ų5965.8 Ų65.831%0.30937%0.369SS..SBendtrans-123.177.8173.7-71.9128.3000110.9K85 N86 L125K85-L89 WeakPolarHBondContact O-CB 3.33Å; K85-L89 PolarHBondContact O-N 3.12Å; N86-L89 CarbonylContact O-C 3.32Å; N86-L89 VanDerWaalsContact O-C 3.32Å; L89-L125 HydrophobicContact CD2-CD2 3.88Å
90P68.8Low81.4Confident69 Ų6965.8 Ų65.845%0.44837%0.374SS..  trans-56.8152176-20.730.2000111L88 G92 S93L88-P90 WeakPolarHBondContact O-CD 3.27Å; P90-G92 PolarHBondContact O-N 3.32Å; P90-S93 WeakPolarHBondContact O-CB 3.16Å; P90-S93 PolarHBondContact O-N 2.66Å; P90-S93 PolarHBondContact O-OG 2.9Å
91P59.4Low81.4Confident142 Ų14266.1 Ų66.192%0.92238%0.375SS*.THydrogen-bonded Turntrans-636.9-176.621-31.2000116.8
92G67.4Low81.4Confident50 Ų5070.4 Ų70.452%0.51539%0.394SS..THydrogen-bonded Turntrans-105.5-9.4166.500000114.8P90 A94 R95 A96P90-G92 PolarHBondContact O-N 3.32Å; G92-A94 VanDerWaalsContact C-N 3.28Å; G92-A94 PolarHBondContact O-N 3.26Å; G92-R95 PolarHBondContact O-N 3.43Å; G92-A96 PolarHBondContact O-N 3.13Å
93S76.9Confident81.4Confident35 Ų3570.3 Ų70.325%0.24540%0.397CS..Hα-helixtrans-62.3-33.5-177.859.80000112.3P90 R95 A96 A97P90-S93 WeakPolarHBondContact O-CB 3.16Å; P90-S93 PolarHBondContact O-N 2.66Å; P90-S93 PolarHBondContact O-OG 2.9Å; S93-R95 VanDerWaalsContact C-N 3.34Å; S93-R95 PolarHBondContact O-N 3.01Å; S93-A96 PolarHBondContact O-N 3.26Å; S93-A97 VanDerWaalsContact O-CB 3.25Å; S93-A97 WeakPolarHBondContact O-CB 2.94Å; S93-A97 PolarHBondContact O-N 3.47Å
94A77.5Confident81.5Confident38 Ų3867.7 Ų67.731%0.31439%0.385SS..Hα-helixtrans-58.1-43.5177.400000112.4G92 A97 F98G92-A94 VanDerWaalsContact C-N 3.28Å; G92-A94 PolarHBondContact O-N 3.26Å; A94-A97 PolarHBondContact O-N 3.35Å; A94-F98 WeakPolarHBondContact O-CB 3.43Å; A94-F98 PolarHBondContact O-N 2.66Å
95R81.8Confident81.6Confident207 Ų20774.1 Ų74.178%0.78141%0.409SS*.Hα-helixtrans-68.4-40.7177.9-173.1176.5-179.6172.60.9111.6G92 S93 F98 V99G92-R95 PolarHBondContact O-N 3.43Å; S93-R95 VanDerWaalsContact C-N 3.34Å; S93-R95 PolarHBondContact O-N 3.01Å; R95-F98 PolarHBondContact O-N 2.94Å; R95-V99 WeakPolarHBondContact O-CG2 3.41Å; R95-V99 PolarHBondContact O-N 2.97Å
96A83.1Confident81.7Confident65 Ų6571.4 Ų71.454%0.53740%0.396SS..Hα-helixtrans-64.6-44.8176.100000111.4G92 S93 F98 V99 Q100G92-A96 PolarHBondContact O-N 3.13Å; S93-A96 PolarHBondContact O-N 3.26Å; A96-F98 VanDerWaalsContact C-N 3.29Å; A96-F98 PolarHBondContact O-N 3.28Å; A96-V99 PolarHBondContact O-N 2.78Å; A96-Q100 PolarHBondContact O-N 3.25Å
97A82.5Confident81.6Confident11 Ų1168.7 Ų68.79%0.09139%0.39CS..Hα-helixtrans-62-36.5174.600000111.6S93 A94 Q100 F101 L125 A126S93-A97 VanDerWaalsContact O-CB 3.25Å; S93-A97 WeakPolarHBondContact O-CB 2.94Å; S93-A97 PolarHBondContact O-N 3.47Å; A94-A97 PolarHBondContact O-N 3.35Å; A97-Q100 PolarHBondContact O-N 2.95Å; A97-F101 WeakPolarHBondContact O-CB 3.48Å; A97-F101 PolarHBondContact O-N 2.66Å; A97-L125 HydrophobicContact CB-CB 3.95Å; A97-A126 HydrophobicContact CB-CB 4.08Å
98F87.2Confident81Confident74 Ų7473.5 Ų73.533%0.32542%0.418SS..Hα-helixtrans-65.2-44.6174.1-168.1-93.4000112A94 R95 A96 Q100 F101 E102 A126 V127A94-F98 WeakPolarHBondContact O-CB 3.43Å; A94-F98 PolarHBondContact O-N 2.66Å; R95-F98 PolarHBondContact O-N 2.94Å; A96-F98 VanDerWaalsContact C-N 3.29Å; A96-F98 PolarHBondContact O-N 3.28Å; F98-Q100 VanDerWaalsContact C-N 3.3Å; F98-Q100 PolarHBondContact O-N 2.93Å; F98-F101 WeakPolarHBondContact O-CB 3.25Å; F98-F101 PolarHBondContact O-N 2.96Å; F98-E102 HydrophobicContact CD1-CG 4.17Å; F98-E102 HydrophobicContact CE1-CG 3.81Å; F98-E102 VanDerWaalsContact CE1-OE1 3.32Å; F98-E102 WeakPolarHBondContact CE1-OE1 3.34Å; F98-E102 HydrophobicContact CZ-CG 4.27Å; F98-E102 PolarHBondContact O-N 3.19Å; F98-A126 HydrophobicContact CB-CB 3.91Å; F98-A126 HydrophobicContact CD2-CB 4.08Å; F98-A126 HydrophobicContact CG-CB 4.49Å; F98-V127 HydrophobicContact CD2-CG2 4Å; F98-V127 HydrophobicContact CE2-CG2 4.28Å
99V87.1Confident80.9Confident85 Ų8575.5 Ų75.552%0.51545%0.449SS..Hα-helixtrans-63.1-37.8174.3173.10000111.3R95 A96 E102 S103R95-V99 WeakPolarHBondContact O-CG2 3.41Å; R95-V99 PolarHBondContact O-N 2.97Å; A96-V99 PolarHBondContact O-N 2.78Å; V99-E102 PolarHBondContact O-N 3.24Å; V99-S103 WeakPolarHBondContact O-CB 3.05Å; V99-S103 PolarHBondContact O-N 3.06Å; V99-S103 PolarHBondContact O-OG 2.88Å
100Q86.5Confident81.3Confident113 Ų11374.8 Ų74.853%0.52844%0.444SS..Hα-helixtrans-64.2-45.8173.7-170.3178.713.700111A96 A97 F98 E102 S103 M104A96-Q100 PolarHBondContact O-N 3.25Å; A97-Q100 PolarHBondContact O-N 2.95Å; F98-Q100 VanDerWaalsContact C-N 3.3Å; F98-Q100 PolarHBondContact O-N 2.93Å; Q100-E102 VanDerWaalsContact C-N 3.31Å; Q100-E102 PolarHBondContact O-N 3.42Å; Q100-S103 WeakPolarHBondContact CA-OG 2.97Å; Q100-S103 PolarHBondContact O-N 3.26Å; Q100-S103 VanDerWaalsContact O-N 3.13Å; Q100-S103 PolarHBondContact O-OG 3.08Å; Q100-S103 VanDerWaalsContact O-OG 3.04Å; Q100-M104 WeakPolarHBondContact O-CG 3.25Å; Q100-M104 PolarHBondContact O-N 3.3Å
101F90.4Very high82.2Confident8 Ų874.9 Ų74.94%0.03545%0.446CS..Hα-helixtrans-55.9-44.1174.2173.4-98.7000112.4A97 F98 S103 M104 L119 A122 L123 L139 R142A97-F101 WeakPolarHBondContact O-CB 3.48Å; A97-F101 PolarHBondContact O-N 2.66Å; F98-F101 WeakPolarHBondContact O-CB 3.25Å; F98-F101 PolarHBondContact O-N 2.96Å; F101-S103 VanDerWaalsContact C-N 3.35Å; F101-S103 PolarHBondContact O-N 3.48Å; F101-M104 HydrophobicContact CB-CE 4.36Å; F101-M104 HydrophobicContact CD2-CE 4.36Å; F101-L119 HydrophobicContact CD2-CD1 3.84Å; F101-L119 HydrophobicContact CD2-CG 4.21Å; F101-L119 HydrophobicContact CE2-CD1 3.78Å; F101-L119 HydrophobicContact CE2-CG 3.78Å; F101-A122 HydrophobicContact CB-CB 4.23Å; F101-A122 HydrophobicContact CD2-CB 4.41Å; F101-L123 HydrophobicContact CD2-CB 3.87Å; F101-L123 HydrophobicContact CD2-CD1 4.42Å; F101-L123 HydrophobicContact CE1-CD1 4.14Å; F101-L123 HydrophobicContact CE2-CB 3.65Å; F101-L123 HydrophobicContact CE2-CD1 4.03Å; F101-L123 HydrophobicContact CE2-CD2 4.33Å; F101-L123 HydrophobicContact CE2-CG 4.21Å; F101-L123 HydrophobicContact CZ-CB 4.33Å; F101-L123 HydrophobicContact CZ-CD1 3.87Å; F101-L123 HydrophobicContact CZ-CD2 4.36Å; F101-L123 HydrophobicContact CZ-CG 4.42Å; F101-L139 HydrophobicContact CE2-CD2 4.18Å; F101-R142 HydrophobicContact CD1-CG 4.38Å; F101-R142 HydrophobicContact CD2-CG 4.42Å; F101-R142 HydrophobicContact CE1-CB 3.96Å; F101-R142 HydrophobicContact CE1-CG 3.78Å; F101-R142 HydrophobicContact CE2-CB 4.17Å; F101-R142 HydrophobicContact CE2-CG 3.82Å; F101-R142 HydrophobicContact CZ-CB 3.48Å; F101-R142 VanDerWaalsContact CZ-CB 3.48Å; F101-R142 HydrophobicContact CZ-CG 3.47Å; F101-R142 VanDerWaalsContact CZ-CG 3.47Å; F101-R142 PolarHBondContact O-NE 2.88Å
102E90.1Very high83.6Confident101 Ų10168.4 Ų68.447%0.47241%0.405SS..Hα-helixtrans-75.3-15.9177.7-73.6-165.5142.200115.3F98 V99 Q100 R142F98-E102 HydrophobicContact CD1-CG 4.17Å; F98-E102 HydrophobicContact CE1-CG 3.81Å; F98-E102 VanDerWaalsContact CE1-OE1 3.32Å; F98-E102 WeakPolarHBondContact CE1-OE1 3.34Å; F98-E102 HydrophobicContact CZ-CG 4.27Å; F98-E102 PolarHBondContact O-N 3.19Å; V99-E102 PolarHBondContact O-N 3.24Å; Q100-E102 VanDerWaalsContact C-N 3.31Å; Q100-E102 PolarHBondContact O-N 3.42Å; E102-R142 PolarHBondContact O-NH1 3.4Å; E102-R142 PolarHBondContact O-NH2 2.67Å
103S88.1Confident84.7Confident69 Ų6972.2 Ų72.248%0.48340%0.403SS..Hα-helixtrans-99-19.9178.458.40000113.3V99 Q100 F101 R105V99-S103 WeakPolarHBondContact O-CB 3.05Å; V99-S103 PolarHBondContact O-N 3.06Å; V99-S103 PolarHBondContact O-OG 2.88Å; Q100-S103 WeakPolarHBondContact CA-OG 2.97Å; Q100-S103 PolarHBondContact O-N 3.26Å; Q100-S103 VanDerWaalsContact O-N 3.13Å; Q100-S103 PolarHBondContact O-OG 3.08Å; Q100-S103 VanDerWaalsContact O-OG 3.04Å; F101-S103 VanDerWaalsContact C-N 3.35Å; F101-S103 PolarHBondContact O-N 3.48Å; S103-R105 PolarHBondContact O-N 3.23Å
104M89.8Confident85.3Confident22 Ų2272.4 Ų72.411%0.10841%0.407CS..  trans-57.5123.8-179.9-84.6-168.8-76.300113.7Q100 F101 F115 L119 A122 R142 A146Q100-M104 WeakPolarHBondContact O-CG 3.25Å; Q100-M104 PolarHBondContact O-N 3.3Å; F101-M104 HydrophobicContact CB-CE 4.36Å; F101-M104 HydrophobicContact CD2-CE 4.36Å; M104-F115 HydrophobicContact CB-CE2 4.36Å; M104-L119 HydrophobicContact CB-CD1 4.27Å; M104-L119 HydrophobicContact CE-CD1 3.83Å; M104-A122 HydrophobicContact CE-CB 3.11Å; M104-A122 HydrophobicContact SD-CB 4.43Å; M104-R142 PolarHBondContact O-NH2 2.87Å; M104-A146 VanDerWaalsContact O-CB 3.3Å; M104-A146 WeakPolarHBondContact O-CB 3.4Å
105R89.9Confident86Confident136 Ų13670.6 Ų70.651%0.51339%0.392SS..  trans-112.5152.2172.2-58.5-62.6170.2-140.6-14.4109.6S103 G107 F115 S145S103-R105 PolarHBondContact O-N 3.23Å; R105-G107 PolarHBondContact O-N 3.01Å; R105-F115 WeakPolarHBondContact O-CE2 3.45Å; R105-S145 PolarHBondContact NH1-O 3.37Å
106W87.3Confident86.5Confident29 Ų2961.4 Ų61.411%0.1136%0.359CS..PPolyproline II helixtrans-72.2123.6170.3-178.242.6000108.9E110 V112 F115 A146 L147 P148 H151 L175W106-E110 PolarHBondContact NE1-O 3.31Å; W106-V112 HydrophobicContact CZ2-CG2 4.34Å; W106-F115 HydrophobicContact CB-CD1 3.92Å; W106-F115 HydrophobicContact CB-CD2 4.29Å; W106-F115 HydrophobicContact CB-CE1 4Å; W106-F115 HydrophobicContact CB-CE2 4.38Å; W106-F115 HydrophobicContact CB-CG 4.09Å; W106-F115 HydrophobicContact CB-CZ 4.27Å; W106-F115 AromaticContact CD1-CG 3.67Å; W106-F115 HydrophobicContact CG-CB 4.49Å; W106-F115 HydrophobicContact CG-CD1 4.17Å; W106-F115 HydrophobicContact CG-CG 4.17Å; W106-A146 PolarHBondContact N-O 3.06Å; W106-L147 HydrophobicContact CB-CD2 4.35Å; W106-L147 HydrophobicContact CD2-CD2 4.09Å; W106-L147 HydrophobicContact CE3-CD2 3.59Å; W106-L147 HydrophobicContact CG-CD2 4.4Å; W106-L147 HydrophobicContact CZ3-CD2 4.41Å; W106-P148 HydrophobicContact CE3-CG 4.16Å; W106-P148 HydrophobicContact CZ3-CG 4.44Å; W106-H151 AromaticContact CZ3-ND1 3.92Å; W106-L175 HydrophobicContact CH2-CD1 3.38Å; W106-L175 HydrophobicContact CH2-CD2 3.39Å; W106-L175 HydrophobicContact CH2-CG 3.97Å; W106-L175 HydrophobicContact CZ2-CD1 3.61Å; W106-L175 HydrophobicContact CZ2-CD2 4.39Å; W106-L175 HydrophobicContact CZ3-CD1 4.28Å; W106-L175 HydrophobicContact CZ3-CD2 3.97Å
107G81.3Confident86.8Confident35 Ų3563 Ų6336%0.36136%0.355SS..PPolyproline II helixtrans-89.5152.2-178.300000112.3R105 G109 E110R105-G107 PolarHBondContact O-N 3.01Å; G107-G109 PolarHBondContact O-N 3.36Å; G107-E110 PolarHBondContact O-N 3.05Å
108T70.7Confident87Confident150 Ų15067.4 Ų67.492%0.9237%0.369SS*.THydrogen-bonded Turntrans-63.3122.2175.849.50000110.4
109G77.1Confident87.2Confident87 Ų8763.9 Ų63.990%0.89735%0.354SS*.THydrogen-bonded Turntrans94.4-7.6178.200000115.6G107G107-G109 PolarHBondContact O-N 3.36Å
110E85.2Confident87.4Confident44 Ų4461.6 Ų61.621%0.20634%0.34CS..  trans-81.4136.1172.9-173.3-174.7-165.800110.8W106 G107 A114 F115 R118W106-E110 PolarHBondContact NE1-O 3.31Å; G107-E110 PolarHBondContact O-N 3.05Å; E110-A114 HydrophobicContact CG-CB 4.06Å; E110-F115 HydrophobicContact CG-CB 4.44Å; E110-F115 VanDerWaalsContact OE1-CA 3.31Å; E110-F115 WeakPolarHBondContact OE1-CA 3.47Å; E110-F115 PolarHBondContact OE1-N 2.79Å; E110-R118 IonicContact OE1-CZ 2.66Å; E110-R118 VanDerWaalsContact OE1-CZ 3.27Å; E110-R118 IonicContact OE1-NE 2.63Å; E110-R118 PolarHBondContact OE1-NE 3.23Å; E110-R118 IonicContact OE1-NH2 2.7Å; E110-R118 PolarHBondContact OE1-NH2 2.95Å; E110-R118 IonicContact OE2-CZ 3.64Å; E110-R118 IonicContact OE2-NE 2.58Å; E110-R118 IonicContact OE2-NH2 2.9Å; E110-R118 PolarHBondContact OE2-NH2 3.4Å
111S87.3Confident87.4Confident71 Ų7158.8 Ų58.850%0.49733%0.327SS..  trans-63.1141.1173.179.50000111.7R113 A114 F115S111-R113 PolarHBondContact O-N 3.36Å; S111-R113 VanDerWaalsContact O-N 3.14Å; S111-A114 PolarHBondContact O-N 3.35Å; S111-A114 VanDerWaalsContact OG-CB 3.22Å; S111-A114 WeakPolarHBondContact OG-CB 3.35Å; S111-A114 PolarHBondContact OG-N 2.7Å; S111-A114 VanDerWaalsContact OG-N 3.16Å; S111-F115 PolarHBondContact O-N 2.93Å
112V89.2Confident87.2Confident7 Ų758.8 Ų58.84%0.04233%0.329CS..Hα-helixtrans-53.8-38.5179.1-176.10000111.9W106 F115 V116 F143 I168 T171 R172 L175W106-V112 HydrophobicContact CZ2-CG2 4.34Å; V112-F115 PolarHBondContact O-N 3.29Å; V112-V116 WeakPolarHBondContact O-CG2 3.29Å; V112-V116 PolarHBondContact O-N 3.07Å; V112-F143 HydrophobicContact CG1-CE2 3.77Å; V112-F143 HydrophobicContact CG1-CZ 3.58Å; V112-I168 HydrophobicContact CG1-CB 4.41Å; V112-I168 HydrophobicContact CG1-CG1 4.26Å; V112-I168 HydrophobicContact CG1-CG2 4.12Å; V112-T171 HydrophobicContact CG1-CG2 4.3Å; V112-T171 HydrophobicContact CG2-CG2 3.89Å; V112-R172 HydrophobicContact CB-CG 4.22Å; V112-R172 HydrophobicContact CG2-CG 4.14Å; V112-L175 HydrophobicContact CG2-CD1 3.41Å; V112-L175 VanDerWaalsContact CG2-CD1 3.41Å
113R90Very high87.2Confident130 Ų13054 Ų5449%0.49131%0.306SS..Hα-helixtrans-70-39.6179.2-65.6-164.580.389.21.4112.6S111 F115 V116 H117 E165 I168S111-R113 PolarHBondContact O-N 3.36Å; S111-R113 VanDerWaalsContact O-N 3.14Å; R113-F115 VanDerWaalsContact C-N 3.31Å; R113-V116 PolarHBondContact O-N 2.58Å; R113-H117 WeakPolarHBondContact O-CB 3.3Å; R113-H117 PolarHBondContact O-N 3.07Å; R113-E165 IonicContact NH1-OE1 2.75Å; R113-E165 PolarHBondContact NH1-OE1 3.49Å; R113-E165 IonicContact NH1-OE2 3.9Å; R113-E165 PolarHBondContact NH1-OE2 3.3Å; R113-E165 IonicContact NH2-OE2 3.18Å; R113-I168 HydrophobicContact CG-CG2 4.2Å
114A89.3Confident87.1Confident39 Ų3954 Ų5432%0.32230%0.301SS..Hα-helixtrans-62.5-42.8175.600000110.8E110 S111 H117 R118E110-A114 HydrophobicContact CG-CB 4.06Å; S111-A114 PolarHBondContact O-N 3.35Å; S111-A114 VanDerWaalsContact OG-CB 3.22Å; S111-A114 WeakPolarHBondContact OG-CB 3.35Å; S111-A114 PolarHBondContact OG-N 2.7Å; S111-A114 VanDerWaalsContact OG-N 3.16Å; A114-H117 WeakPolarHBondContact O-CB 3.36Å; A114-H117 PolarHBondContact O-N 3.32Å; A114-R118 PolarHBondContact O-N 3.16Å
115F91.4Very high86.7Confident0 Ų055.1 Ų55.10%031%0.307CS..Hα-helixtrans-61-48.6176.5177.4-113.1000112.3M104 R105 W106 E110 S111 V112 R113 H117 R118 L119 F143 A146M104-F115 HydrophobicContact CB-CE2 4.36Å; R105-F115 WeakPolarHBondContact O-CE2 3.45Å; W106-F115 HydrophobicContact CB-CD1 3.92Å; W106-F115 HydrophobicContact CB-CD2 4.29Å; W106-F115 HydrophobicContact CB-CE1 4Å; W106-F115 HydrophobicContact CB-CE2 4.38Å; W106-F115 HydrophobicContact CB-CG 4.09Å; W106-F115 HydrophobicContact CB-CZ 4.27Å; W106-F115 AromaticContact CD1-CG 3.67Å; W106-F115 HydrophobicContact CG-CB 4.49Å; W106-F115 HydrophobicContact CG-CD1 4.17Å; W106-F115 HydrophobicContact CG-CG 4.17Å; E110-F115 HydrophobicContact CG-CB 4.44Å; E110-F115 VanDerWaalsContact OE1-CA 3.31Å; E110-F115 WeakPolarHBondContact OE1-CA 3.47Å; E110-F115 PolarHBondContact OE1-N 2.79Å; S111-F115 PolarHBondContact O-N 2.93Å; V112-F115 PolarHBondContact O-N 3.29Å; R113-F115 VanDerWaalsContact C-N 3.31Å; F115-H117 VanDerWaalsContact C-N 3.27Å; F115-H117 PolarHBondContact O-N 3.46Å; F115-R118 PolarHBondContact O-N 3.09Å; F115-L119 HydrophobicContact CZ-CD1 4.33Å; F115-L119 WeakPolarHBondContact O-CB 3.36Å; F115-L119 PolarHBondContact O-N 3.32Å; F115-F143 AromaticContact CD1-CD2 3.88Å; F115-F143 HydrophobicContact CD1-CD2 3.88Å; F115-F143 AromaticContact CD1-CE2 3.96Å; F115-F143 HydrophobicContact CD1-CE2 3.96Å; F115-F143 AromaticContact CE1-CD2 3.86Å; F115-F143 HydrophobicContact CE1-CD2 3.86Å; F115-F143 HydrophobicContact CE1-CE2 4.32Å; F115-A146 HydrophobicContact CE1-CB 3.74Å; F115-A146 HydrophobicContact CZ-CB 3.44Å; F115-A146 VanDerWaalsContact CZ-CB 3.44Å
116V92.1Very high86.5Confident14 Ų1449 Ų499%0.08529%0.286CS..Hα-helixtrans-60.2-40.2176.8173.20000111.1V112 R113 R118 L119 T120 F143 V164 I168V112-V116 WeakPolarHBondContact O-CG2 3.29Å; V112-V116 PolarHBondContact O-N 3.07Å; R113-V116 PolarHBondContact O-N 2.58Å; V116-R118 PolarHBondContact O-N 3.47Å; V116-L119 WeakPolarHBondContact O-CB 3.42Å; V116-L119 PolarHBondContact O-N 3.5Å; V116-T120 PolarHBondContact O-N 3.24Å; V116-T120 PolarHBondContact O-OG1 3.35Å; V116-F143 HydrophobicContact CG2-CD2 3.47Å; V116-F143 VanDerWaalsContact CG2-CD2 3.47Å; V116-F143 HydrophobicContact CG2-CE2 3.52Å; V116-F143 HydrophobicContact CG2-CG 4.3Å; V116-F143 HydrophobicContact CG2-CZ 4.38Å; V116-V164 HydrophobicContact CG1-CG1 4.01Å; V116-I168 HydrophobicContact CB-CD1 4.32Å; V116-I168 HydrophobicContact CG1-CD1 4.17Å; V116-I168 HydrophobicContact CG2-CD1 3.98Å; V116-I168 HydrophobicContact CG2-CG1 3.87Å
117H89.7Confident86.4Confident98 Ų9850 Ų5045%0.45430%0.295SS..Hα-helixtrans-60.5-46.8177.6-175.966.9000112.2R113 A114 F115 L119 T120 Q121R113-H117 WeakPolarHBondContact O-CB 3.3Å; R113-H117 PolarHBondContact O-N 3.07Å; A114-H117 WeakPolarHBondContact O-CB 3.36Å; A114-H117 PolarHBondContact O-N 3.32Å; F115-H117 VanDerWaalsContact C-N 3.27Å; F115-H117 PolarHBondContact O-N 3.46Å; H117-L119 VanDerWaalsContact C-N 3.29Å; H117-L119 PolarHBondContact O-N 2.9Å; H117-T120 PolarHBondContact O-N 2.78Å; H117-Q121 PolarHBondContact NE2-NE2 3.18Å; H117-Q121 WeakPolarHBondContact O-CG 3.48Å; H117-Q121 PolarHBondContact O-N 3.22Å
118R88.4Confident86.4Confident103 Ų10353 Ų5339%0.38931%0.308SS..Hα-helixtrans-61.3-39.9174.2-66.4-167.4-57.6122.8-2.9111.8E110 A114 F115 V116 T120 Q121 A122E110-R118 IonicContact OE1-CZ 2.66Å; E110-R118 VanDerWaalsContact OE1-CZ 3.27Å; E110-R118 IonicContact OE1-NE 2.63Å; E110-R118 PolarHBondContact OE1-NE 3.23Å; E110-R118 IonicContact OE1-NH2 2.7Å; E110-R118 PolarHBondContact OE1-NH2 2.95Å; E110-R118 IonicContact OE2-CZ 3.64Å; E110-R118 IonicContact OE2-NE 2.58Å; E110-R118 IonicContact OE2-NH2 2.9Å; E110-R118 PolarHBondContact OE2-NH2 3.4Å; A114-R118 PolarHBondContact O-N 3.16Å; F115-R118 PolarHBondContact O-N 3.09Å; V116-R118 PolarHBondContact O-N 3.47Å; R118-T120 PolarHBondContact O-N 3.14Å; R118-Q121 PolarHBondContact O-N 3.47Å; R118-A122 PolarHBondContact O-N 3.41Å
119L90.8Very high86.9Confident0 Ų050 Ų500%031%0.306CS..Hα-helixtrans-62.5-42.5177.1-165.772.5000111.9F101 M104 F115 V116 H117 L123 L139 R142 F143F101-L119 HydrophobicContact CD2-CD1 3.84Å; F101-L119 HydrophobicContact CD2-CG 4.21Å; F101-L119 HydrophobicContact CE2-CD1 3.78Å; F101-L119 HydrophobicContact CE2-CG 3.78Å; M104-L119 HydrophobicContact CB-CD1 4.27Å; M104-L119 HydrophobicContact CE-CD1 3.83Å; F115-L119 HydrophobicContact CZ-CD1 4.33Å; F115-L119 WeakPolarHBondContact O-CB 3.36Å; F115-L119 PolarHBondContact O-N 3.32Å; V116-L119 WeakPolarHBondContact O-CB 3.42Å; V116-L119 PolarHBondContact O-N 3.5Å; H117-L119 VanDerWaalsContact C-N 3.29Å; H117-L119 PolarHBondContact O-N 2.9Å; L119-L123 PolarHBondContact O-N 3Å; L119-L139 HydrophobicContact CD2-CD2 4.21Å; L119-L139 HydrophobicContact CG-CD2 4.08Å; L119-R142 HydrophobicContact CD1-CG 3.64Å; L119-R142 HydrophobicContact CD2-CB 4.2Å; L119-R142 HydrophobicContact CD2-CG 3.95Å; L119-R142 HydrophobicContact CG-CG 4.23Å; L119-F143 HydrophobicContact CD2-CB 4.06Å
120T90.1Very high87.3Confident38 Ų3847.5 Ų47.523%0.23327%0.272CS..Hα-helixtrans-63.7-43.9174.2-57.70000111.9V116 H117 R118 A122 L123 N124 L139V116-T120 PolarHBondContact O-N 3.24Å; V116-T120 PolarHBondContact O-OG1 3.35Å; H117-T120 PolarHBondContact O-N 2.78Å; R118-T120 PolarHBondContact O-N 3.14Å; T120-A122 PolarHBondContact O-N 3.39Å; T120-L123 PolarHBondContact O-N 3.27Å; T120-N124 VanDerWaalsContact O-CG 3.27Å; T120-N124 PolarHBondContact O-N 3.32Å; T120-N124 PolarHBondContact O-ND2 3.04Å; T120-L139 HydrophobicContact CG2-CD1 4.29Å
121Q86.3Confident87.5Confident54 Ų5449.3 Ų49.325%0.25228%0.283SS..Hα-helixtrans-60.1-47.1177-75.7176.6-32.900111.6E31 H117 R118 L123 N124 L125E31-Q121 PolarHBondContact OE2-NE2 3.39Å; H117-Q121 PolarHBondContact NE2-NE2 3.18Å; H117-Q121 WeakPolarHBondContact O-CG 3.48Å; H117-Q121 PolarHBondContact O-N 3.22Å; R118-Q121 PolarHBondContact O-N 3.47Å; Q121-L123 PolarHBondContact O-N 3.1Å; Q121-N124 PolarHBondContact O-N 3.32Å; Q121-L125 WeakPolarHBondContact O-CG 3.23Å; Q121-L125 PolarHBondContact O-N 3.45Å; Q121-L125 VanDerWaalsContact O-N 3.16Å
122A87.2Confident87.6Confident8 Ų849.9 Ų49.97%0.06628%0.284CS..Hα-helixtrans-66.5-36.3178.300000112.8F101 M104 R118 T120 N124 L125 A126F101-A122 HydrophobicContact CB-CB 4.23Å; F101-A122 HydrophobicContact CD2-CB 4.41Å; M104-A122 HydrophobicContact CE-CB 3.11Å; M104-A122 HydrophobicContact SD-CB 4.43Å; R118-A122 PolarHBondContact O-N 3.41Å; T120-A122 PolarHBondContact O-N 3.39Å; A122-N124 VanDerWaalsContact C-N 3.34Å; A122-L125 PolarHBondContact O-N 3.29Å; A122-A126 VanDerWaalsContact O-CB 3.24Å; A122-A126 WeakPolarHBondContact O-CB 3.32Å; A122-A126 PolarHBondContact O-N 3.1Å
123L90Very high87.6Confident1 Ų159.9 Ų59.91%0.00532%0.321CS..Hα-helixtrans-62.6-43.1175.4-177.458.3000111.5F101 L119 T120 Q121 L125 A126 V127 R135 L138 L139F101-L123 HydrophobicContact CD2-CB 3.87Å; F101-L123 HydrophobicContact CD2-CD1 4.42Å; F101-L123 HydrophobicContact CE1-CD1 4.14Å; F101-L123 HydrophobicContact CE2-CB 3.65Å; F101-L123 HydrophobicContact CE2-CD1 4.03Å; F101-L123 HydrophobicContact CE2-CD2 4.33Å; F101-L123 HydrophobicContact CE2-CG 4.21Å; F101-L123 HydrophobicContact CZ-CB 4.33Å; F101-L123 HydrophobicContact CZ-CD1 3.87Å; F101-L123 HydrophobicContact CZ-CD2 4.36Å; F101-L123 HydrophobicContact CZ-CG 4.42Å; L119-L123 PolarHBondContact O-N 3Å; T120-L123 PolarHBondContact O-N 3.27Å; Q121-L123 PolarHBondContact O-N 3.1Å; L123-L125 PolarHBondContact O-N 3.3Å; L123-A126 PolarHBondContact O-N 3.14Å; L123-V127 HydrophobicContact CD1-CG2 4.49Å; L123-V127 PolarHBondContact O-N 3.25Å; L123-R135 HydrophobicContact CD2-CB 4.48Å; L123-R135 HydrophobicContact CD2-CG 3.57Å; L123-R135 HydrophobicContact CG-CG 4.44Å; L123-L138 HydrophobicContact CD1-CD1 4.29Å; L123-L138 HydrophobicContact CD2-CB 4.27Å; L123-L139 HydrophobicContact CB-CD2 4.15Å; L123-L139 HydrophobicContact CD2-CD1 4.24Å; L123-L139 HydrophobicContact CD2-CD2 3.64Å; L123-L139 HydrophobicContact CD2-CG 3.51Å
124N85.3Confident87.5Confident68 Ų6855.9 Ų55.936%0.36431%0.313SS..Hα-helixtrans-63.3-31.3178.1-71.1-21.9000112.2T120 Q121 A122T120-N124 VanDerWaalsContact O-CG 3.27Å; T120-N124 PolarHBondContact O-N 3.32Å; T120-N124 PolarHBondContact O-ND2 3.04Å; Q121-N124 PolarHBondContact O-N 3.32Å; A122-N124 VanDerWaalsContact C-N 3.34Å
125L82.4Confident87.6Confident46 Ų4657 Ų5724%0.24131%0.308CS..Hα-helixtrans-77.6-37173.5-66.5178.3000112.6L89 A97 Q121 A122 L123L89-L125 HydrophobicContact CD2-CD2 3.88Å; A97-L125 HydrophobicContact CB-CB 3.95Å; Q121-L125 WeakPolarHBondContact O-CG 3.23Å; Q121-L125 PolarHBondContact O-N 3.45Å; Q121-L125 VanDerWaalsContact O-N 3.16Å; A122-L125 PolarHBondContact O-N 3.29Å; L123-L125 PolarHBondContact O-N 3.3Å
126A85.9Confident87.6Confident8 Ų860.7 Ų60.77%0.06633%0.328CS..Hα-helixtrans-72.4-41.7-177.300000113.1A97 F98 A122 L123A97-A126 HydrophobicContact CB-CB 4.08Å; F98-A126 HydrophobicContact CB-CB 3.91Å; F98-A126 HydrophobicContact CD2-CB 4.08Å; F98-A126 HydrophobicContact CG-CB 4.49Å; A122-A126 VanDerWaalsContact O-CB 3.24Å; A122-A126 WeakPolarHBondContact O-CB 3.32Å; A122-A126 PolarHBondContact O-N 3.1Å; L123-A126 PolarHBondContact O-N 3.14Å
127V85.7Confident87.5Confident49 Ų4969.1 Ų69.130%0.29736%0.359SS..SBendtrans-135.875.4-176.4-167.60000109.6F98 L123 G129 L130F98-V127 HydrophobicContact CD2-CG2 4Å; F98-V127 HydrophobicContact CE2-CG2 4.28Å; L123-V127 HydrophobicContact CD1-CG2 4.49Å; L123-V127 PolarHBondContact O-N 3.25Å; V127-G129 PolarHBondContact O-N 2.61Å; V127-L130 HydrophobicContact CG1-CB 4.17Å; V127-L130 HydrophobicContact CG1-CD1 4.33Å
128P79.8Confident87.5Confident99 Ų9967.4 Ų67.464%0.64335%0.353SS*.THydrogen-bonded Turntrans-63.3136.5175.126.6-33.4000110.3
129G81.7Confident87.7Confident85 Ų8563 Ų6388%0.87634%0.336SS*.THydrogen-bonded Turntrans89.73.8177.300000116V127V127-G129 PolarHBondContact O-N 2.61Å
130L85.7Confident87.8Confident36 Ų3663.9 Ų63.919%0.18834%0.341CS..  trans-60.9137.3173.9-167.566.8000111.1V127 R135 L138V127-L130 HydrophobicContact CG1-CB 4.17Å; V127-L130 HydrophobicContact CG1-CD1 4.33Å; L130-R135 HydrophobicContact CD2-CB 4Å; L130-R135 HydrophobicContact CG-CB 4.43Å; L130-R135 PolarHBondContact O-NH2 3.37Å; L130-L138 HydrophobicContact CD2-CD1 3.62Å
131D89.4Confident87.9Confident82 Ų8268.1 Ų68.144%0.43936%0.358SS..  trans-65.6155.6175.771.7-82.4000111.4R133 S134 R135D131-R133 VanDerWaalsContact C-N 3.3Å; D131-R133 PolarHBondContact O-N 3.03Å; D131-R133 WeakPolarHBondContact OD2-CB 3.2Å; D131-R133 PolarHBondContact OD2-N 2.82Å; D131-R133 VanDerWaalsContact OD2-N 3.1Å; D131-S134 VanDerWaalsContact CG-OG 3.3Å; D131-S134 PolarHBondContact O-N 3.16Å; D131-S134 WeakPolarHBondContact OD1-CB 3.32Å; D131-S134 PolarHBondContact OD1-OG 2.82Å; D131-S134 PolarHBondContact OD2-N 2.84Å; D131-S134 PolarHBondContact OD2-OG 2.94Å; D131-R135 WeakPolarHBondContact O-CB 3.28Å; D131-R135 PolarHBondContact O-N 3.46Å
132T88.8Confident88.1Confident82 Ų8266.7 Ų66.750%0.50335%0.351SS..Hα-helixtrans-60.4-37.3-174.3-57.20000112.9R135 D136T132-R135 PolarHBondContact O-N 2.88Å; T132-R135 PolarHBondContact OG1-NH1 3.12Å; T132-D136 PolarHBondContact O-N 2.99Å
133R89.1Confident88.4Confident217 Ų21766.4 Ų66.482%0.81935%0.348SS*.Hα-helixtrans-68.8-45.3-179.3-65.1-176.4176.9-167.4-0.7111.5D131 R135 D136 R137D131-R133 VanDerWaalsContact C-N 3.3Å; D131-R133 PolarHBondContact O-N 3.03Å; D131-R133 WeakPolarHBondContact OD2-CB 3.2Å; D131-R133 PolarHBondContact OD2-N 2.82Å; D131-R133 VanDerWaalsContact OD2-N 3.1Å; R133-R135 VanDerWaalsContact C-N 3.31Å; R133-D136 PolarHBondContact O-N 3.24Å; R133-R137 WeakPolarHBondContact O-CB 3.42Å; R133-R137 PolarHBondContact O-N 3.04Å
134S89.5Confident88.4Confident46 Ų4667.3 Ų67.332%0.32235%0.353SS..Hα-helixtrans-65.9-36.5176.5-59.60000111.7D131 R137 L138D131-S134 VanDerWaalsContact CG-OG 3.3Å; D131-S134 PolarHBondContact O-N 3.16Å; D131-S134 WeakPolarHBondContact OD1-CB 3.32Å; D131-S134 PolarHBondContact OD1-OG 2.82Å; D131-S134 PolarHBondContact OD2-N 2.84Å; D131-S134 PolarHBondContact OD2-OG 2.94Å; S134-R137 PolarHBondContact O-N 2.81Å; S134-L138 WeakPolarHBondContact O-CB 2.94Å; S134-L138 WeakPolarHBondContact O-CG 3.48Å; S134-L138 PolarHBondContact O-N 2.9Å
135R91.1Very high88.5Confident62 Ų6265.5 Ų65.523%0.23435%0.345CS..Hα-helixtrans-60.6-50.4174.7-167.9-170.7-55.8112.25.7111.2L123 L130 D131 T132 R133 R137 L138 L139L123-R135 HydrophobicContact CD2-CB 4.48Å; L123-R135 HydrophobicContact CD2-CG 3.57Å; L123-R135 HydrophobicContact CG-CG 4.44Å; L130-R135 HydrophobicContact CD2-CB 4Å; L130-R135 HydrophobicContact CG-CB 4.43Å; L130-R135 PolarHBondContact O-NH2 3.37Å; D131-R135 WeakPolarHBondContact O-CB 3.28Å; D131-R135 PolarHBondContact O-N 3.46Å; T132-R135 PolarHBondContact O-N 2.88Å; T132-R135 PolarHBondContact OG1-NH1 3.12Å; R133-R135 VanDerWaalsContact C-N 3.31Å; R135-R137 VanDerWaalsContact C-N 3.32Å; R135-R137 PolarHBondContact O-N 3.39Å; R135-L138 PolarHBondContact O-N 2.96Å; R135-L139 HydrophobicContact CG-CD1 4.04Å; R135-L139 HydrophobicContact CG-CG 4.49Å; R135-L139 WeakPolarHBondContact O-CB 3.2Å; R135-L139 VanDerWaalsContact O-CG 3.28Å; R135-L139 WeakPolarHBondContact O-CG 3.35Å; R135-L139 PolarHBondContact O-N 3.38Å
136D90.4Very high89Confident79 Ų7963.4 Ų63.442%0.42234%0.335SS..Hα-helixtrans-64.1-39.7-178.5-66.7-15.3000111.3T132 R133 L139 L140 V164T132-D136 PolarHBondContact O-N 2.99Å; R133-D136 PolarHBondContact O-N 3.24Å; D136-L139 PolarHBondContact O-N 2.91Å; D136-L140 VanDerWaalsContact O-CB 3.29Å; D136-L140 WeakPolarHBondContact O-CB 3.29Å; D136-L140 PolarHBondContact O-N 2.95Å; D136-V164 WeakPolarHBondContact O-CG2 3.49Å
137R90.2Very high89.1Confident190 Ų19063.4 Ų63.472%0.71733%0.334SS*.Hα-helixtrans-65-44.8176.2-174.5173.8176.6144.70.1112.6R133 S134 R135 L140 Q141R133-R137 WeakPolarHBondContact O-CB 3.42Å; R133-R137 PolarHBondContact O-N 3.04Å; S134-R137 PolarHBondContact O-N 2.81Å; R135-R137 VanDerWaalsContact C-N 3.32Å; R135-R137 PolarHBondContact O-N 3.39Å; R137-L140 PolarHBondContact O-N 3.18Å; R137-Q141 WeakPolarHBondContact O-CB 3.41Å; R137-Q141 PolarHBondContact O-N 2.94Å
138L90.6Very high89.1Confident63 Ų6363.7 Ų63.733%0.3334%0.336SS..Hα-helixtrans-65.7-42176.5-74.7-179.5000111.4L123 L130 S134 R135 R142L123-L138 HydrophobicContact CD1-CD1 4.29Å; L123-L138 HydrophobicContact CD2-CB 4.27Å; L130-L138 HydrophobicContact CD2-CD1 3.62Å; S134-L138 WeakPolarHBondContact O-CB 2.94Å; S134-L138 WeakPolarHBondContact O-CG 3.48Å; S134-L138 PolarHBondContact O-N 2.9Å; R135-L138 PolarHBondContact O-N 2.96Å; L138-R142 WeakPolarHBondContact O-CB 3.46Å; L138-R142 PolarHBondContact O-N 2.94Å
139L92.6Very high89.2Confident9 Ų967.1 Ų67.15%0.04734%0.344CS..Hα-helixtrans-60.8-45.1175.1-74.6172.8000111.4F101 L119 T120 L123 R135 D136 R142 F143 V164F101-L139 HydrophobicContact CE2-CD2 4.18Å; L119-L139 HydrophobicContact CD2-CD2 4.21Å; L119-L139 HydrophobicContact CG-CD2 4.08Å; T120-L139 HydrophobicContact CG2-CD1 4.29Å; L123-L139 HydrophobicContact CB-CD2 4.15Å; L123-L139 HydrophobicContact CD2-CD1 4.24Å; L123-L139 HydrophobicContact CD2-CD2 3.64Å; L123-L139 HydrophobicContact CD2-CG 3.51Å; R135-L139 HydrophobicContact CG-CD1 4.04Å; R135-L139 HydrophobicContact CG-CG 4.49Å; R135-L139 WeakPolarHBondContact O-CB 3.2Å; R135-L139 VanDerWaalsContact O-CG 3.28Å; R135-L139 WeakPolarHBondContact O-CG 3.35Å; R135-L139 PolarHBondContact O-N 3.38Å; D136-L139 PolarHBondContact O-N 2.91Å; L139-R142 PolarHBondContact O-N 3.24Å; L139-F143 WeakPolarHBondContact O-CB 3.45Å; L139-F143 PolarHBondContact O-N 2.94Å; L139-V164 HydrophobicContact CB-CG2 3.87Å
140L92.2Very high89.2Confident20 Ų2069.4 Ų69.411%0.10534%0.335CS..Hα-helixtrans-62.9-52.3179.4176.459.3000111.6D136 R137 R142 F143 L144 I161 V164 A167D136-L140 VanDerWaalsContact O-CB 3.29Å; D136-L140 WeakPolarHBondContact O-CB 3.29Å; D136-L140 PolarHBondContact O-N 2.95Å; R137-L140 PolarHBondContact O-N 3.18Å; L140-R142 VanDerWaalsContact C-N 3.26Å; L140-R142 PolarHBondContact O-N 3.43Å; L140-F143 PolarHBondContact O-N 2.93Å; L140-L144 HydrophobicContact CD1-CD1 3.92Å; L140-L144 HydrophobicContact CD1-CG 4.18Å; L140-L144 HydrophobicContact CG-CD1 4.21Å; L140-L144 WeakPolarHBondContact O-CG 3.49Å; L140-L144 PolarHBondContact O-N 3.47Å; L140-I161 HydrophobicContact CD1-CG2 3.79Å; L140-V164 HydrophobicContact CB-CG2 3.84Å; L140-A167 HydrophobicContact CD1-CB 3.74Å
141Q91.4Very high89Confident126 Ų12668.9 Ų68.959%0.58933%0.332SS*.Hα-helixtrans-58-43.5178.4179178.1-19.300110.8R137 S145R137-Q141 WeakPolarHBondContact O-CB 3.41Å; R137-Q141 PolarHBondContact O-N 2.94Å; Q141-S145 WeakPolarHBondContact O-CB 3.38Å; Q141-S145 PolarHBondContact O-N 3.23Å; Q141-S145 VanDerWaalsContact O-N 3.1Å; Q141-S145 PolarHBondContact O-OG 3.34Å
142R91.8Very high88.8Confident25 Ų2569.4 Ų69.49%0.09433%0.328CS..Hα-helixtrans-69.5-45.2-179.1-177.963.8-149.7171.3-8.1111.9F101 E102 M104 L119 L138 L139 L140 L144 S145 A146F101-R142 HydrophobicContact CD1-CG 4.38Å; F101-R142 HydrophobicContact CD2-CG 4.42Å; F101-R142 HydrophobicContact CE1-CB 3.96Å; F101-R142 HydrophobicContact CE1-CG 3.78Å; F101-R142 HydrophobicContact CE2-CB 4.17Å; F101-R142 HydrophobicContact CE2-CG 3.82Å; F101-R142 HydrophobicContact CZ-CB 3.48Å; F101-R142 VanDerWaalsContact CZ-CB 3.48Å; F101-R142 HydrophobicContact CZ-CG 3.47Å; F101-R142 VanDerWaalsContact CZ-CG 3.47Å; F101-R142 PolarHBondContact O-NE 2.88Å; E102-R142 PolarHBondContact O-NH1 3.4Å; E102-R142 PolarHBondContact O-NH2 2.67Å; M104-R142 PolarHBondContact O-NH2 2.87Å; L119-R142 HydrophobicContact CD1-CG 3.64Å; L119-R142 HydrophobicContact CD2-CB 4.2Å; L119-R142 HydrophobicContact CD2-CG 3.95Å; L119-R142 HydrophobicContact CG-CG 4.23Å; L138-R142 WeakPolarHBondContact O-CB 3.46Å; L138-R142 PolarHBondContact O-N 2.94Å; L139-R142 PolarHBondContact O-N 3.24Å; L140-R142 VanDerWaalsContact C-N 3.26Å; L140-R142 PolarHBondContact O-N 3.43Å; R142-L144 PolarHBondContact O-N 3.31Å; R142-S145 WeakPolarHBondContact CA-OG 3.25Å; R142-S145 PolarHBondContact NH1-OG 2.94Å; R142-S145 CarbonylContact O-C 3.49Å; R142-S145 WeakPolarHBondContact O-CA 3.33Å; R142-S145 PolarHBondContact O-N 3.22Å; R142-S145 PolarHBondContact O-OG 3.04Å; R142-A146 WeakPolarHBondContact O-CB 3.03Å; R142-A146 PolarHBondContact O-N 3.16Å
143F92.4Very high88.6Confident1 Ų174 Ų740%0.00434%0.336CS..Hα-helixtrans-55.5-52.8176.9174.1-105.8000110.8V112 F115 V116 L119 L139 L140 S145 A146 L147 A167 T171V112-F143 HydrophobicContact CG1-CE2 3.77Å; V112-F143 HydrophobicContact CG1-CZ 3.58Å; F115-F143 AromaticContact CD1-CD2 3.88Å; F115-F143 HydrophobicContact CD1-CD2 3.88Å; F115-F143 AromaticContact CD1-CE2 3.96Å; F115-F143 HydrophobicContact CD1-CE2 3.96Å; F115-F143 AromaticContact CE1-CD2 3.86Å; F115-F143 HydrophobicContact CE1-CD2 3.86Å; F115-F143 HydrophobicContact CE1-CE2 4.32Å; V116-F143 HydrophobicContact CG2-CD2 3.47Å; V116-F143 VanDerWaalsContact CG2-CD2 3.47Å; V116-F143 HydrophobicContact CG2-CE2 3.52Å; V116-F143 HydrophobicContact CG2-CG 4.3Å; V116-F143 HydrophobicContact CG2-CZ 4.38Å; L119-F143 HydrophobicContact CD2-CB 4.06Å; L139-F143 WeakPolarHBondContact O-CB 3.45Å; L139-F143 PolarHBondContact O-N 2.94Å; L140-F143 PolarHBondContact O-N 2.93Å; F143-S145 PolarHBondContact O-N 3.11Å; F143-A146 PolarHBondContact O-N 3.28Å; F143-L147 HydrophobicContact CE1-CD1 3.99Å; F143-L147 HydrophobicContact CE1-CG 4.47Å; F143-L147 HydrophobicContact CE2-CD2 4.12Å; F143-L147 HydrophobicContact CZ-CD1 4.2Å; F143-L147 HydrophobicContact CZ-CD2 3.99Å; F143-L147 HydrophobicContact CZ-CG 4.35Å; F143-L147 PolarHBondContact O-N 2.88Å; F143-A167 HydrophobicContact CD1-CB 3.67Å; F143-A167 HydrophobicContact CE1-CB 3.58Å; F143-T171 HydrophobicContact CZ-CG2 4.45Å
144L90Very high88.3Confident21 Ų2167.8 Ų67.811%0.1132%0.316CS..Hα-helixtrans-58.5-35.9176.4-67170.7000111.8L140 R142 A146 R152 V155 I161 A167L140-L144 HydrophobicContact CD1-CD1 3.92Å; L140-L144 HydrophobicContact CD1-CG 4.18Å; L140-L144 HydrophobicContact CG-CD1 4.21Å; L140-L144 WeakPolarHBondContact O-CG 3.49Å; L140-L144 PolarHBondContact O-N 3.47Å; R142-L144 PolarHBondContact O-N 3.31Å; L144-A146 VanDerWaalsContact C-N 3.33Å; L144-R152 WeakPolarHBondContact O-CD 3.32Å; L144-R152 VanDerWaalsContact O-CG 3.3Å; L144-R152 WeakPolarHBondContact O-CG 3.12Å; L144-R152 PolarHBondContact O-NE 3.08Å; L144-V155 HydrophobicContact CD2-CG1 3.69Å; L144-I161 HydrophobicContact CD2-CD1 4.1Å; L144-A167 HydrophobicContact CD2-CB 4.45Å
145S89.1Confident88.1Confident29 Ų2965.6 Ų65.620%0.20330%0.3CS..Hα-helixtrans-74.3-19.6176.281.50000115.8R105 Q141 R142 F143 R152R105-S145 PolarHBondContact NH1-O 3.37Å; Q141-S145 WeakPolarHBondContact O-CB 3.38Å; Q141-S145 PolarHBondContact O-N 3.23Å; Q141-S145 VanDerWaalsContact O-N 3.1Å; Q141-S145 PolarHBondContact O-OG 3.34Å; R142-S145 WeakPolarHBondContact CA-OG 3.25Å; R142-S145 PolarHBondContact NH1-OG 2.94Å; R142-S145 CarbonylContact O-C 3.49Å; R142-S145 WeakPolarHBondContact O-CA 3.33Å; R142-S145 PolarHBondContact O-N 3.22Å; R142-S145 PolarHBondContact O-OG 3.04Å; F143-S145 PolarHBondContact O-N 3.11Å; S145-R152 VanDerWaalsContact CA-NH2 3.32Å
146A90.9Very high87.8Confident2 Ų267.2 Ų67.22%0.01731%0.313CS..Hα-helixtrans-92.8-16-178.700000113M104 W106 F115 R142 F143 L144M104-A146 VanDerWaalsContact O-CB 3.3Å; M104-A146 WeakPolarHBondContact O-CB 3.4Å; W106-A146 PolarHBondContact N-O 3.06Å; F115-A146 HydrophobicContact CE1-CB 3.74Å; F115-A146 HydrophobicContact CZ-CB 3.44Å; F115-A146 VanDerWaalsContact CZ-CB 3.44Å; R142-A146 WeakPolarHBondContact O-CB 3.03Å; R142-A146 PolarHBondContact O-N 3.16Å; F143-A146 PolarHBondContact O-N 3.28Å; L144-A146 VanDerWaalsContact C-N 3.33Å
147L88.2Confident87.5Confident9 Ų969.5 Ų69.55%0.04733%0.325CS..SBendtrans-68144.6173-66.7177.7000111.5W106 F143 R152 V155 T171W106-L147 HydrophobicContact CB-CD2 4.35Å; W106-L147 HydrophobicContact CD2-CD2 4.09Å; W106-L147 HydrophobicContact CE3-CD2 3.59Å; W106-L147 HydrophobicContact CG-CD2 4.4Å; W106-L147 HydrophobicContact CZ3-CD2 4.41Å; F143-L147 HydrophobicContact CE1-CD1 3.99Å; F143-L147 HydrophobicContact CE1-CG 4.47Å; F143-L147 HydrophobicContact CE2-CD2 4.12Å; F143-L147 HydrophobicContact CZ-CD1 4.2Å; F143-L147 HydrophobicContact CZ-CD2 3.99Å; F143-L147 HydrophobicContact CZ-CG 4.35Å; F143-L147 PolarHBondContact O-N 2.88Å; L147-R152 HydrophobicContact CB-CB 4.19Å; L147-V155 HydrophobicContact CD1-CG2 4.3Å; L147-T171 HydrophobicContact CD1-CG2 4.33Å; L147-T171 HydrophobicContact CD2-CG2 3.99Å
148P85.9Confident87Confident54 Ų5464.1 Ų64.135%0.35131%0.308SS..  trans-54.4149.3167.8-22.932.7000111.3W106 L150 H151 R152W106-P148 HydrophobicContact CE3-CG 4.16Å; W106-P148 HydrophobicContact CZ3-CG 4.44Å; P148-L150 PolarHBondContact O-N 3.06Å; P148-L150 VanDerWaalsContact O-N 3.14Å; P148-H151 PolarHBondContact O-N 3.37Å; P148-R152 WeakPolarHBondContact O-CB 3.36Å; P148-R152 PolarHBondContact O-N 3.44Å
149Q83.5Confident86.5Confident171 Ų17163 Ų6380%0.79931%0.311SS*.Hα-helixtrans-56.2-36.4-170.8-172.5176.515.900113.7R153Q149-R153 WeakPolarHBondContact O-CB 3.18Å; Q149-R153 PolarHBondContact O-N 2.77Å
150L80.2Confident85.9Confident133 Ų13370.6 Ų70.670%0.69635%0.347SS*.Hα-helixtrans-61.7-60.7178.3-64.1178000111P148 R152 R153 E154P148-L150 PolarHBondContact O-N 3.06Å; P148-L150 VanDerWaalsContact O-N 3.14Å; L150-R152 VanDerWaalsContact C-N 3.31Å; L150-R152 PolarHBondContact O-N 3.14Å; L150-R153 PolarHBondContact O-N 2.83Å; L150-R153 VanDerWaalsContact O-N 3.1Å; L150-E154 WeakPolarHBondContact O-CG 3.41Å; L150-E154 PolarHBondContact O-N 2.87Å
151H83Confident85.4Confident26 Ų2670.7 Ų70.712%0.1235%0.347CS..Hα-helixtrans-56.5-42.9177-56.3100.5000112.3W106 P148 R153 E154 V155 L175W106-H151 AromaticContact CZ3-ND1 3.92Å; P148-H151 PolarHBondContact O-N 3.37Å; H151-R153 VanDerWaalsContact C-N 3.31Å; H151-R153 PolarHBondContact O-N 3.39Å; H151-E154 PolarHBondContact O-N 3.17Å; H151-V155 VanDerWaalsContact O-CB 3.32Å; H151-V155 WeakPolarHBondContact O-CB 3.39Å; H151-V155 WeakPolarHBondContact O-CG2 3.42Å; H151-V155 PolarHBondContact O-N 3Å; H151-L175 VanDerWaalsContact NE2-CD2 3.33Å; H151-L175 WeakPolarHBondContact NE2-CD2 3.33Å
152R85Confident85Confident93 Ų9370.8 Ų70.835%0.35135%0.352SS..Hα-helixtrans-58.5-44.4178.2-174.2-178.2-163.21668.7111.8L144 S145 L147 P148 L150 L156L144-R152 WeakPolarHBondContact O-CD 3.32Å; L144-R152 VanDerWaalsContact O-CG 3.3Å; L144-R152 WeakPolarHBondContact O-CG 3.12Å; L144-R152 PolarHBondContact O-NE 3.08Å; S145-R152 VanDerWaalsContact CA-NH2 3.32Å; L147-R152 HydrophobicContact CB-CB 4.19Å; P148-R152 WeakPolarHBondContact O-CB 3.36Å; P148-R152 PolarHBondContact O-N 3.44Å; L150-R152 VanDerWaalsContact C-N 3.31Å; L150-R152 PolarHBondContact O-N 3.14Å; R152-L156 HydrophobicContact CG-CD1 4.08Å; R152-L156 WeakPolarHBondContact O-CB 3.37Å; R152-L156 VanDerWaalsContact O-CG 3.23Å; R152-L156 WeakPolarHBondContact O-CG 3.38Å; R152-L156 PolarHBondContact O-N 2.63Å; R152-L156 VanDerWaalsContact O-N 3.11Å
153R84.8Confident84.8Confident179 Ų17972 Ų7268%0.67536%0.364SS*.Hα-helixtrans-65.9-46179.6176.9178155.1168.7-6110.7Q149 L150 H151 L156 L157Q149-R153 WeakPolarHBondContact O-CB 3.18Å; Q149-R153 PolarHBondContact O-N 2.77Å; L150-R153 PolarHBondContact O-N 2.83Å; L150-R153 VanDerWaalsContact O-N 3.1Å; H151-R153 VanDerWaalsContact C-N 3.31Å; H151-R153 PolarHBondContact O-N 3.39Å; R153-L156 PolarHBondContact O-N 2.74Å; R153-L157 HydrophobicContact CG-CD1 3.95Å; R153-L157 HydrophobicContact CG-CG 4.4Å; R153-L157 VanDerWaalsContact O-CG 3.25Å; R153-L157 WeakPolarHBondContact O-CG 3.44Å; R153-L157 PolarHBondContact O-N 3.4Å
154E82.4Confident84.6Confident85 Ų8572.8 Ų72.840%0.39737%0.369SS..Hα-helixtrans-61.8-44178.4-69.7174.5159.900112.3L150 H151 L156 L157 Q158 L174L150-E154 WeakPolarHBondContact O-CG 3.41Å; L150-E154 PolarHBondContact O-N 2.87Å; H151-E154 PolarHBondContact O-N 3.17Å; E154-L156 VanDerWaalsContact C-N 3.31Å; E154-L156 PolarHBondContact O-N 2.97Å; E154-L157 PolarHBondContact O-N 3.03Å; E154-L157 VanDerWaalsContact O-N 3.14Å; E154-Q158 WeakPolarHBondContact O-CG 3.26Å; E154-Q158 PolarHBondContact O-N 3.23Å; E154-L174 HydrophobicContact CB-CD1 3.49Å; E154-L174 VanDerWaalsContact CB-CD1 3.49Å; E154-L174 HydrophobicContact CB-CD2 3.75Å; E154-L174 HydrophobicContact CB-CG 4.23Å; E154-L174 HydrophobicContact CG-CD2 4.4Å
155V84.4Confident84.6Confident0 Ų075.2 Ų75.20%038%0.379CS..Hα-helixtrans-58.9-43.4176167.90000110.9L144 L147 H151 Q158 I161 K170 L174L144-V155 HydrophobicContact CD2-CG1 3.69Å; L147-V155 HydrophobicContact CD1-CG2 4.3Å; H151-V155 VanDerWaalsContact O-CB 3.32Å; H151-V155 WeakPolarHBondContact O-CB 3.39Å; H151-V155 WeakPolarHBondContact O-CG2 3.42Å; H151-V155 PolarHBondContact O-N 3Å; V155-Q158 PolarHBondContact O-N 3.3Å; V155-I161 HydrophobicContact CB-CD1 4.46Å; V155-I161 HydrophobicContact CG1-CD1 3.14Å; V155-K170 HydrophobicContact CG1-CB 4.38Å; V155-K170 HydrophobicContact CG2-CB 4.5Å; V155-L174 HydrophobicContact CB-CD1 4.27Å; V155-L174 HydrophobicContact CG2-CD1 3.38Å
156L84.7Confident84.6Confident96 Ų9677.5 Ų77.550%0.50339%0.387SS..Hα-helixtrans-71.9-26.7177.7-69.4170.3000113.4R152 R153 E154 Q158R152-L156 HydrophobicContact CG-CD1 4.08Å; R152-L156 WeakPolarHBondContact O-CB 3.37Å; R152-L156 VanDerWaalsContact O-CG 3.23Å; R152-L156 WeakPolarHBondContact O-CG 3.38Å; R152-L156 PolarHBondContact O-N 2.63Å; R152-L156 VanDerWaalsContact O-N 3.11Å; R153-L156 PolarHBondContact O-N 2.74Å; E154-L156 VanDerWaalsContact C-N 3.31Å; E154-L156 PolarHBondContact O-N 2.97Å; L156-Q158 VanDerWaalsContact C-N 3.32Å
157L83.8Confident84.6Confident127 Ų12777.4 Ų77.467%0.66539%0.386SS*.Hα-helixtrans-74.3-22.7175.3-73.9170.8000112.6R153 E154 G159R153-L157 HydrophobicContact CG-CD1 3.95Å; R153-L157 HydrophobicContact CG-CG 4.4Å; R153-L157 VanDerWaalsContact O-CG 3.25Å; R153-L157 WeakPolarHBondContact O-CG 3.44Å; R153-L157 PolarHBondContact O-N 3.4Å; E154-L157 PolarHBondContact O-N 3.03Å; E154-L157 VanDerWaalsContact O-N 3.14Å; L157-G159 PolarHBondContact O-N 3.44Å; L157-G159 VanDerWaalsContact O-N 3.07Å
158Q80.1Confident84.7Confident78 Ų7877.2 Ų77.236%0.36439%0.385SS..THydrogen-bonded Turntrans-74.816.2174.6-69.3178.5-1700113.6E154 V155 L156 K170E154-Q158 WeakPolarHBondContact O-CG 3.26Å; E154-Q158 PolarHBondContact O-N 3.23Å; V155-Q158 PolarHBondContact O-N 3.3Å; L156-Q158 VanDerWaalsContact C-N 3.32Å; Q158-K170 HydrophobicContact CB-CD 4.02Å; Q158-K170 WeakPolarHBondContact O-CE 3.23Å; Q158-K170 PolarHBondContact O-NZ 3.23Å; Q158-K170 VanDerWaalsContact OE1-CG 3.26Å
159G80.2Confident84.8Confident39 Ų3979.4 Ų79.440%0.40239%0.391SS..  trans91.6-177.4178.900000114.2L157 K170L157-G159 PolarHBondContact O-N 3.44Å; L157-G159 VanDerWaalsContact O-N 3.07Å; G159-K170 PolarHBondContact O-NZ 2.96Å
160E80.3Confident85Confident169 Ų16973 Ų7379%0.7936%0.36SS*.  trans-57.4150.3-178.3-64.6-178.3168.700112.1K170E160-K170 PolarHBondContact O-NZ 3.43Å
161I82.4Confident85.4Confident22 Ų2266.7 Ų66.711%0.11333%0.327CS..  trans-135.2109.4-176.9-55176.4000107.1L140 L144 V155 S163 Q166 A167 K170L140-I161 HydrophobicContact CD1-CG2 3.79Å; L144-I161 HydrophobicContact CD2-CD1 4.1Å; V155-I161 HydrophobicContact CB-CD1 4.46Å; V155-I161 HydrophobicContact CG1-CD1 3.14Å; I161-S163 WeakPolarHBondContact CG2-O 3.3Å; I161-Q166 HydrophobicContact CG2-CB 4.19Å; I161-A167 HydrophobicContact CG2-CB 3.78Å; I161-K170 HydrophobicContact CD1-CD 3.98Å; I161-K170 HydrophobicContact CG1-CD 3.95Å
162D82.3Confident85.6Confident128 Ų12872 Ų7268%0.68435%0.346SS*.  trans-102.7-10.3-175.5-60.8-38.8000112.7
163S88.3Confident85.6Confident50 Ų5071.5 Ų71.535%0.3535%0.35SS..SBendtrans-139.2146.4-174.1174.90000112.3I161 E165 Q166 A167I161-S163 WeakPolarHBondContact CG2-O 3.3Å; S163-E165 PolarHBondContact O-N 3.48Å; S163-E165 PolarHBondContact OG-N 3.03Å; S163-Q166 PolarHBondContact O-N 2.9Å; S163-A167 PolarHBondContact O-N 3.48Å; S163-A167 VanDerWaalsContact O-N 3.08Å
164V87.9Confident85.5Confident18 Ų1864 Ų6411%0.10932%0.323CS..Hα-helixtrans-56.8-38172.1-175.80000110.7V116 D136 L139 L140 A167 I168V116-V164 HydrophobicContact CG1-CG1 4.01Å; D136-V164 WeakPolarHBondContact O-CG2 3.49Å; L139-V164 HydrophobicContact CB-CG2 3.87Å; L140-V164 HydrophobicContact CB-CG2 3.84Å; V164-A167 WeakPolarHBondContact O-CB 3.17Å; V164-A167 PolarHBondContact O-N 3.23Å; V164-I168 HydrophobicContact CG1-CD1 4.02Å; V164-I168 HydrophobicContact CG1-CG1 4.43Å; V164-I168 VanDerWaalsContact O-CG1 3.28Å; V164-I168 WeakPolarHBondContact O-CG1 3.38Å; V164-I168 PolarHBondContact O-N 3.02Å
165E89.8Confident85.4Confident71 Ų7161.3 Ų61.333%0.33231%0.311SS..Hα-helixtrans-68.3-38.6-179.4-169.362.5-148.500111.8R113 S163 A167 I168 Q169R113-E165 IonicContact NH1-OE1 2.75Å; R113-E165 PolarHBondContact NH1-OE1 3.49Å; R113-E165 IonicContact NH1-OE2 3.9Å; R113-E165 PolarHBondContact NH1-OE2 3.3Å; R113-E165 IonicContact NH2-OE2 3.18Å; S163-E165 PolarHBondContact O-N 3.48Å; S163-E165 PolarHBondContact OG-N 3.03Å; E165-A167 VanDerWaalsContact C-N 3.32Å; E165-A167 PolarHBondContact O-N 3.08Å; E165-I168 PolarHBondContact O-N 3.5Å; E165-Q169 VanDerWaalsContact O-CG 3.31Å; E165-Q169 WeakPolarHBondContact O-CG 3.36Å; E165-Q169 PolarHBondContact O-N 3.1Å
166Q89.3Confident85Confident78 Ų7864.3 Ų64.336%0.36433%0.332SS..Hα-helixtrans-62.8-41.6172.8-70.7177.5-2.800111I161 S163 I168 Q169 K170I161-Q166 HydrophobicContact CG2-CB 4.19Å; S163-Q166 PolarHBondContact O-N 2.9Å; Q166-I168 PolarHBondContact O-N 3.19Å; Q166-Q169 PolarHBondContact O-N 3.06Å; Q166-K170 WeakPolarHBondContact O-CB 3.33Å; Q166-K170 WeakPolarHBondContact O-CG 3.39Å; Q166-K170 PolarHBondContact O-N 3.47Å
167A89.4Confident84.1Confident0 Ų066.1 Ų66.10%034%0.336CS..Hα-helixtrans-62-42.7176.400000111.7L140 F143 L144 I161 S163 V164 E165 T171L140-A167 HydrophobicContact CD1-CB 3.74Å; F143-A167 HydrophobicContact CD1-CB 3.67Å; F143-A167 HydrophobicContact CE1-CB 3.58Å; L144-A167 HydrophobicContact CD2-CB 4.45Å; I161-A167 HydrophobicContact CG2-CB 3.78Å; S163-A167 PolarHBondContact O-N 3.48Å; S163-A167 VanDerWaalsContact O-N 3.08Å; V164-A167 WeakPolarHBondContact O-CB 3.17Å; V164-A167 PolarHBondContact O-N 3.23Å; E165-A167 VanDerWaalsContact C-N 3.32Å; E165-A167 PolarHBondContact O-N 3.08Å; A167-T171 WeakPolarHBondContact O-CB 3.29Å; A167-T171 PolarHBondContact O-N 3.33Å; A167-T171 PolarHBondContact O-OG1 3.15Å
168I90.3Very high83.1Confident5 Ų566.2 Ų66.23%0.02634%0.337CS..Hα-helixtrans-61.1-48.5175.8-68.9163000110.4V112 R113 V116 V164 E165 Q166 T171 R172V112-I168 HydrophobicContact CG1-CB 4.41Å; V112-I168 HydrophobicContact CG1-CG1 4.26Å; V112-I168 HydrophobicContact CG1-CG2 4.12Å; R113-I168 HydrophobicContact CG-CG2 4.2Å; V116-I168 HydrophobicContact CB-CD1 4.32Å; V116-I168 HydrophobicContact CG1-CD1 4.17Å; V116-I168 HydrophobicContact CG2-CD1 3.98Å; V116-I168 HydrophobicContact CG2-CG1 3.87Å; V164-I168 HydrophobicContact CG1-CD1 4.02Å; V164-I168 HydrophobicContact CG1-CG1 4.43Å; V164-I168 VanDerWaalsContact O-CG1 3.28Å; V164-I168 WeakPolarHBondContact O-CG1 3.38Å; V164-I168 PolarHBondContact O-N 3.02Å; E165-I168 PolarHBondContact O-N 3.5Å; Q166-I168 PolarHBondContact O-N 3.19Å; I168-T171 PolarHBondContact O-N 2.98Å; I168-R172 HydrophobicContact CG2-CG 4.32Å; I168-R172 WeakPolarHBondContact O-CB 3.34Å; I168-R172 VanDerWaalsContact O-CG 3.26Å; I168-R172 WeakPolarHBondContact O-CG 3.4Å; I168-R172 PolarHBondContact O-N 3.22Å
169Q88.7Confident82Confident100 Ų10070.3 Ų70.347%0.46736%0.356SS..Hα-helixtrans-61.2-50.2-179.2-72.8174.2-3.800111.4E165 Q166 T171 R172 I173E165-Q169 VanDerWaalsContact O-CG 3.31Å; E165-Q169 WeakPolarHBondContact O-CG 3.36Å; E165-Q169 PolarHBondContact O-N 3.1Å; Q166-Q169 PolarHBondContact O-N 3.06Å; Q169-T171 PolarHBondContact O-N 2.96Å; Q169-R172 PolarHBondContact O-N 3.22Å; Q169-I173 VanDerWaalsContact O-CG1 3.29Å; Q169-I173 WeakPolarHBondContact O-CG1 3.31Å; Q169-I173 PolarHBondContact O-N 3.05Å
170K88.6Confident80.3Confident36 Ų3674.6 Ų74.616%0.15737%0.368CS..Hα-helixtrans-56.8-46.7176.2-76.1-177.5171.2-175.40112V155 Q158 G159 E160 I161 Q166 R172 I173 L174V155-K170 HydrophobicContact CG1-CB 4.38Å; V155-K170 HydrophobicContact CG2-CB 4.5Å; Q158-K170 HydrophobicContact CB-CD 4.02Å; Q158-K170 WeakPolarHBondContact O-CE 3.23Å; Q158-K170 PolarHBondContact O-NZ 3.23Å; Q158-K170 VanDerWaalsContact OE1-CG 3.26Å; G159-K170 PolarHBondContact O-NZ 2.96Å; E160-K170 PolarHBondContact O-NZ 3.43Å; I161-K170 HydrophobicContact CD1-CD 3.98Å; I161-K170 HydrophobicContact CG1-CD 3.95Å; Q166-K170 WeakPolarHBondContact O-CB 3.33Å; Q166-K170 WeakPolarHBondContact O-CG 3.39Å; Q166-K170 PolarHBondContact O-N 3.47Å; K170-R172 PolarHBondContact O-N 3.02Å; K170-I173 PolarHBondContact O-N 3.02Å; K170-L174 WeakPolarHBondContact O-CG 3.43Å; K170-L174 PolarHBondContact O-N 2.71Å; K170-L174 VanDerWaalsContact O-N 3.09Å
171T87.1Confident78.5Confident0 Ų070.7 Ų70.70%036%0.357CS..Hα-helixtrans-62.8-45177.7-51.10000111.2V112 F143 L147 A167 I168 Q169 I173 L174 L175V112-T171 HydrophobicContact CG1-CG2 4.3Å; V112-T171 HydrophobicContact CG2-CG2 3.89Å; F143-T171 HydrophobicContact CZ-CG2 4.45Å; L147-T171 HydrophobicContact CD1-CG2 4.33Å; L147-T171 HydrophobicContact CD2-CG2 3.99Å; A167-T171 WeakPolarHBondContact O-CB 3.29Å; A167-T171 PolarHBondContact O-N 3.33Å; A167-T171 PolarHBondContact O-OG1 3.15Å; I168-T171 PolarHBondContact O-N 2.98Å; Q169-T171 PolarHBondContact O-N 2.96Å; T171-I173 VanDerWaalsContact C-N 3.32Å; T171-I173 PolarHBondContact O-N 2.88Å; T171-L174 PolarHBondContact O-N 3.28Å; T171-L175 HydrophobicContact CG2-CD1 4.24Å; T171-L175 HydrophobicContact CG2-CG 4.49Å; T171-L175 VanDerWaalsContact O-CG 3.32Å; T171-L175 WeakPolarHBondContact O-CG 3.26Å; T171-L175 PolarHBondContact O-N 2.83Å
172R87.6Confident76.5Confident137 Ų13777.9 Ų77.952%0.51739%0.394SS..Hα-helixtrans-61.7-39.4177.7-74.5174.968.8-171.12.7112.6V112 I168 Q169 K170 L174 L175 S176V112-R172 HydrophobicContact CB-CG 4.22Å; V112-R172 HydrophobicContact CG2-CG 4.14Å; I168-R172 HydrophobicContact CG2-CG 4.32Å; I168-R172 WeakPolarHBondContact O-CB 3.34Å; I168-R172 VanDerWaalsContact O-CG 3.26Å; I168-R172 WeakPolarHBondContact O-CG 3.4Å; I168-R172 PolarHBondContact O-N 3.22Å; Q169-R172 PolarHBondContact O-N 3.22Å; K170-R172 PolarHBondContact O-N 3.02Å; R172-L174 VanDerWaalsContact C-N 3.33Å; R172-L175 PolarHBondContact O-N 2.96Å; R172-S176 PolarHBondContact O-N 3.49Å
173I84.7Confident74.4Confident83 Ų8378.7 Ų78.743%0.42640%0.396SS..Hα-helixtrans-60.5-45.8175.6-70.6164.6000109.7Q169 K170 T171 L175 S176 F177Q169-I173 VanDerWaalsContact O-CG1 3.29Å; Q169-I173 WeakPolarHBondContact O-CG1 3.31Å; Q169-I173 PolarHBondContact O-N 3.05Å; K170-I173 PolarHBondContact O-N 3.02Å; T171-I173 VanDerWaalsContact C-N 3.32Å; T171-I173 PolarHBondContact O-N 2.88Å; I173-L175 PolarHBondContact O-N 3.04Å; I173-S176 PolarHBondContact O-N 2.67Å; I173-S176 PolarHBondContact O-OG 3Å; I173-F177 HydrophobicContact CG2-CD2 4.23Å; I173-F177 HydrophobicContact CG2-CE2 3.6Å; I173-F177 WeakPolarHBondContact O-CD2 3.18Å; I173-F177 PolarHBondContact O-N 3.04Å
174L83.1Confident72.2Confident21 Ų2181.3 Ų81.311%0.1141%0.412CS..Hα-helixtrans-62.7-42.9178.4-67.4165.7000112.5E154 V155 K170 T171 R172 S176 F177 D178E154-L174 HydrophobicContact CB-CD1 3.49Å; E154-L174 VanDerWaalsContact CB-CD1 3.49Å; E154-L174 HydrophobicContact CB-CD2 3.75Å; E154-L174 HydrophobicContact CB-CG 4.23Å; E154-L174 HydrophobicContact CG-CD2 4.4Å; V155-L174 HydrophobicContact CB-CD1 4.27Å; V155-L174 HydrophobicContact CG2-CD1 3.38Å; K170-L174 WeakPolarHBondContact O-CG 3.43Å; K170-L174 PolarHBondContact O-N 2.71Å; K170-L174 VanDerWaalsContact O-N 3.09Å; T171-L174 PolarHBondContact O-N 3.28Å; R172-L174 VanDerWaalsContact C-N 3.33Å; L174-S176 VanDerWaalsContact C-N 3.29Å; L174-S176 PolarHBondContact O-N 3.29Å; L174-F177 WeakPolarHBondContact O-CB 3.38Å; L174-F177 PolarHBondContact O-N 3.33Å; L174-F177 VanDerWaalsContact O-N 3.09Å; L174-D178 PolarHBondContact O-N 3.35Å
175L80.6Confident69.9Low29 Ų2986 Ų8615%0.15245%0.452CS..Hα-helixtrans-65.6-32.8176.8-61.9175.6000112.9W106 V112 H151 T171 R172 I173 F177 D178 E179W106-L175 HydrophobicContact CH2-CD1 3.38Å; W106-L175 HydrophobicContact CH2-CD2 3.39Å; W106-L175 HydrophobicContact CH2-CG 3.97Å; W106-L175 HydrophobicContact CZ2-CD1 3.61Å; W106-L175 HydrophobicContact CZ2-CD2 4.39Å; W106-L175 HydrophobicContact CZ3-CD1 4.28Å; W106-L175 HydrophobicContact CZ3-CD2 3.97Å; V112-L175 HydrophobicContact CG2-CD1 3.41Å; V112-L175 VanDerWaalsContact CG2-CD1 3.41Å; H151-L175 VanDerWaalsContact NE2-CD2 3.33Å; H151-L175 WeakPolarHBondContact NE2-CD2 3.33Å; T171-L175 HydrophobicContact CG2-CD1 4.24Å; T171-L175 HydrophobicContact CG2-CG 4.49Å; T171-L175 VanDerWaalsContact O-CG 3.32Å; T171-L175 WeakPolarHBondContact O-CG 3.26Å; T171-L175 PolarHBondContact O-N 2.83Å; R172-L175 PolarHBondContact O-N 2.96Å; I173-L175 PolarHBondContact O-N 3.04Å; L175-F177 PolarHBondContact O-N 3.23Å; L175-D178 PolarHBondContact O-N 2.88Å; L175-D178 VanDerWaalsContact O-N 3.12Å; L175-E179 PolarHBondContact O-N 2.86Å
176S75.9Confident67.6Low63 Ų6385.9 Ų85.944%0.44146%0.464SS..Hα-helixtrans-66.2-20174.968.30000113.6R172 I173 L174R172-S176 PolarHBondContact O-N 3.49Å; I173-S176 PolarHBondContact O-N 2.67Å; I173-S176 PolarHBondContact O-OG 3Å; L174-S176 VanDerWaalsContact C-N 3.29Å; L174-S176 PolarHBondContact O-N 3.29Å
177F65.5Low65Low135 Ų13589 Ų8959%0.59249%0.488SS*.Hα-helixtrans-82.5-31.9171.2-69.6-71.3000112.4I173 L174 L175I173-F177 HydrophobicContact CG2-CD2 4.23Å; I173-F177 HydrophobicContact CG2-CE2 3.6Å; I173-F177 WeakPolarHBondContact O-CD2 3.18Å; I173-F177 PolarHBondContact O-N 3.04Å; L174-F177 WeakPolarHBondContact O-CB 3.38Å; L174-F177 PolarHBondContact O-N 3.33Å; L174-F177 VanDerWaalsContact O-N 3.09Å; L175-F177 PolarHBondContact O-N 3.23Å
178D63.7Low62.9Low128 Ų12895.5 Ų95.568%0.68453%0.528SS*.Hα-helixtrans-79.5-28.1179.7-141.224.2000112.2L174 L175 M180L174-D178 PolarHBondContact O-N 3.35Å; L175-D178 PolarHBondContact O-N 2.88Å; L175-D178 VanDerWaalsContact O-N 3.12Å; D178-M180 VanDerWaalsContact C-N 3.27Å; D178-M180 PolarHBondContact O-N 2.76Å
179E56.3Low60.6Low164 Ų16499.4 Ų99.477%0.76656%0.561SS**THydrogen-bonded Turntrans-79.1-4.9172.9-73.3-170.9164.200113.9L175 P181L175-E179 PolarHBondContact O-N 2.86Å; E179-P181 WeakPolarHBondContact O-CD 3.32Å
180M44.2Very low58.4Low130 Ų130101.3 Ų101.364%0.6458%0.579SS**SBendtrans-71.9110.8171.5-154.4170.1-66.600106.8D178 L182D178-M180 VanDerWaalsContact C-N 3.27Å; D178-M180 PolarHBondContact O-N 2.76Å; M180-L182 PolarHBondContact O-N 3.34Å
181P43.3Very low56.3Low87 Ų87104.8 Ų104.857%0.56561%0.605SS**  trans-59.9121.4179.5-13.627.5000106.1E179 M183E179-P181 WeakPolarHBondContact O-CD 3.32Å; P181-M183 HydrophobicContact CB-CE 4.13Å; P181-M183 HydrophobicContact CG-CE 4.13Å; P181-M183 PolarHBondContact O-N 3.41Å
182L40.6Very low54.1Low172 Ų172109.2 Ų109.290%0.90164%0.641SS**  trans-53.391.9146.8-84.6147.9000104.5M180 P184M180-L182 PolarHBondContact O-N 3.34Å; L182-P184 WeakPolarHBondContact O-CD 3.48Å
183M38.6Very low51.9Low146 Ų146110.5 Ų110.572%0.71966%0.658SS**  trans-49.4121.2173.4-80.9-72.4150.600105.2P181 A185P181-M183 HydrophobicContact CB-CE 4.13Å; P181-M183 HydrophobicContact CG-CE 4.13Å; P181-M183 PolarHBondContact O-N 3.41Å; M183-A185 PolarHBondContact O-N 2.89Å
184P40.5Very low50Low105 Ų105110.6 Ų110.668%0.68267%0.672SS**  trans-57.5124.3173.622.6-28.7000105.9L182 A186L182-P184 WeakPolarHBondContact O-CD 3.48Å; P184-A186 PolarHBondContact O-N 3.49Å
185A39.9Very low48.2Very low116 Ų116116.1 Ų116.196%0.95971%0.709SS**SBendtrans-66.625.9-176.900000113.7M183M183-A185 PolarHBondContact O-N 2.89Å
186A41.2Very low46.5Very low69 Ų69118.3 Ų118.357%0.5773%0.731SS**SBendtrans-148.1136.6-179.600000110P184P184-A186 PolarHBondContact O-N 3.49Å
187T35.3Very low45.2Very low142 Ų142123.5 Ų123.587%0.87175%0.749SS**  trans92.247.8173-13.40000117.2
188V44.4Very low44.5Very low138 Ų138125 Ų12584%0.83676%0.757SS**  trans-95.1113.1139.6178.90000106.7V190V188-V190 PolarHBondContact O-N 3.23Å
189A42.8Very low43.9Very low87 Ų87126.6 Ų126.672%0.71976%0.758SS**PPolyproline II helixtrans-57.1128.6171.500000109.7
190V42.2Very low43.8Very low139 Ų139123 Ų12384%0.84275%0.748SS**PPolyproline II helixtrans-58.8126.4180175.20000110.1V188V188-V190 PolarHBondContact O-N 3.23Å
191P45Very low44.3Very low110 Ų110120.9 Ų120.971%0.71474%0.742SS**PPolyproline II helixtrans-78.4133.2169.930.6-29.4000109.9
192A40.6Very low45.3Very low92 Ų92124.2 Ų124.276%0.7674%0.743SS**SBendtrans-68.7137.9170.900000110.7
193N42.4Very low46.6Very low164 Ų164120.5 Ų120.588%0.87772%0.724SS**  trans74.486.6167-63.4-11.5000118.8
194A43.2Very low48.3Very low86 Ų86118.8 Ų118.871%0.71172%0.715SS**  trans-169.9141.9135.600000109.3A196A194-A196 PolarHBondContact O-N 3.49Å; A194-A196 VanDerWaalsContact O-N 3.12Å
195P45.3Very low50.1Low136 Ų136117.9 Ų117.988%0.88370%0.704SS**  trans-70.4113.1-171.328.3-31.5000110.7
196A46.6Very low52Low75 Ų75120.8 Ų120.862%0.6269%0.69SS**  trans-100.423.7-169.900000114.6A194A194-A196 PolarHBondContact O-N 3.49Å; A194-A196 VanDerWaalsContact O-N 3.12Å
197Q48.5Very low53.9Low173 Ų173125.6 Ų125.681%0.80869%0.694SS**THydrogen-bonded Turntrans-86.7-7.5-167.2-78.6-173.1-3700116.8
198E49.6Very low56.2Low166 Ų166126.2 Ų126.278%0.77668%0.68SS**THydrogen-bonded Turntrans-103.5-10.9-175-91.1-176.7162.700116.5R202E198-R202 PolarHBondContact O-NH2 2.91Å
199K51Low58Low161 Ų161126 Ų12670%0.767%0.672SS**THydrogen-bonded Turntrans-97.5-29.5-179.8-88.9-178.4176.5179.40114.2V201 R202K199-V201 PolarHBondContact O-N 3.27Å; K199-R202 PolarHBondContact O-N 3.42Å
200T54Low59.9Low90 Ų90125.5 Ų125.555%0.55266%0.656SS**Hα-helixtrans-69.5-32.7-178.253.80000112.9R202 D203 E204T200-R202 VanDerWaalsContact C-N 3.33Å; T200-R202 PolarHBondContact O-N 3.37Å; T200-D203 PolarHBondContact O-N 2.83Å; T200-E204 PolarHBondContact O-N 2.75Å; T200-E204 VanDerWaalsContact O-N 3.16Å
201V54.9Low61.9Low85 Ų85123.6 Ų123.652%0.51564%0.641SS.*Hα-helixtrans-64.3-37.7178.2-174.70000111.5K199 D203 D205K199-V201 PolarHBondContact O-N 3.27Å; V201-D203 PolarHBondContact O-N 2.94Å; V201-D205 PolarHBondContact O-N 3.26Å
202R65.3Low63.8Low157 Ų157126.1 Ų126.159%0.59264%0.636SS**Hα-helixtrans-68.5-34.3179.2-82.1-168.6-69.2-115.2-11.2113.7E198 K199 T200 R206E198-R202 PolarHBondContact O-NH2 2.91Å; K199-R202 PolarHBondContact O-N 3.42Å; T200-R202 VanDerWaalsContact C-N 3.33Å; T200-R202 PolarHBondContact O-N 3.37Å; R202-R206 WeakPolarHBondContact O-CB 3.43Å; R202-R206 PolarHBondContact O-N 3.17Å; R202-R206 VanDerWaalsContact O-N 3.14Å
203D67.4Low65.9Low93 Ų93129.3 Ų129.350%0.49763%0.629SS.*Hα-helixtrans-78.6-34.6179.6-75.9-27.8000111.6T200 V201 R206 W207T200-D203 PolarHBondContact O-N 2.83Å; V201-D203 PolarHBondContact O-N 2.94Å; D203-R206 PolarHBondContact O-N 3.37Å; D203-W207 PolarHBondContact O-N 2.7Å
204E74.5Confident68Low111 Ų111126 Ų12652%0.51961%0.61SS.*Hα-helixtrans-62.7-44.2169.8-77.5-134.9172.100112.3T200 R206 W207 R208T200-E204 PolarHBondContact O-N 2.75Å; T200-E204 VanDerWaalsContact O-N 3.16Å; E204-R206 PolarHBondContact O-N 2.68Å; E204-W207 PolarHBondContact O-N 2.99Å; E204-R208 WeakPolarHBondContact O-CG 3.49Å; E204-R208 PolarHBondContact O-N 2.68Å; E204-R208 IonicContact OE2-CZ 3.82Å; E204-R208 IonicContact OE2-NE 3.94Å; E204-R208 IonicContact OE2-NH2 2.9Å; E204-R208 PolarHBondContact OE2-NH2 3.48Å
205D78.1Confident70Confident86 Ų86127 Ų12746%0.4660%0.603SS.*Hα-helixtrans-62.1-34.8176.5-73.7-28.4000111.8V201 M209V201-D205 PolarHBondContact O-N 3.26Å; D205-M209 WeakPolarHBondContact O-CB 3.39Å; D205-M209 PolarHBondContact O-N 2.99Å; D205-M209 VanDerWaalsContact O-N 3.08Å
206R79.7Confident71.9Confident176 Ų176123.6 Ų123.666%0.66458%0.575SS**Hα-helixtrans-70.9-40.5177.4-162.1176.5-173.5-169.50.5112.2R202 D203 E204 M209 I210R202-R206 WeakPolarHBondContact O-CB 3.43Å; R202-R206 PolarHBondContact O-N 3.17Å; R202-R206 VanDerWaalsContact O-N 3.14Å; D203-R206 PolarHBondContact O-N 3.37Å; E204-R206 PolarHBondContact O-N 2.68Å; R206-M209 PolarHBondContact O-N 3.13Å; R206-I210 PolarHBondContact O-N 3.01Å
207W80.5Confident73.6Confident171 Ų171124.5 Ų124.565%0.64857%0.569SS**Hα-helixtrans-66.6-42.6174.5-77.2120000112.1D203 E204 M209 I210 D211D203-W207 PolarHBondContact O-N 2.7Å; E204-W207 PolarHBondContact O-N 2.99Å; W207-M209 PolarHBondContact O-N 3.17Å; W207-I210 HydrophobicContact CE3-CD1 3.98Å; W207-I210 HydrophobicContact CZ3-CD1 3.98Å; W207-I210 PolarHBondContact O-N 2.9Å; W207-D211 PolarHBondContact O-N 3.37Å
208R84.6Confident75.2Confident155 Ų155119.4 Ų119.459%0.58555%0.553SS**Hα-helixtrans-59.3-34.9173.7-71178.8-161.9-174.48.5112.4E204 R212E204-R208 WeakPolarHBondContact O-CG 3.49Å; E204-R208 PolarHBondContact O-N 2.68Å; E204-R208 IonicContact OE2-CZ 3.82Å; E204-R208 IonicContact OE2-NE 3.94Å; E204-R208 IonicContact OE2-NH2 2.9Å; E204-R208 PolarHBondContact OE2-NH2 3.48Å; R208-R212 WeakPolarHBondContact O-CB 3.43Å; R208-R212 PolarHBondContact O-N 2.99Å; R208-R212 VanDerWaalsContact O-N 3.1Å
209M82.1Confident76.8Confident134 Ų134117.7 Ų117.766%0.6655%0.545SS*.Hα-helixtrans-69-35.7175.9-167.7-179.9-67.700112.5D205 R206 W207 R213D205-M209 WeakPolarHBondContact O-CB 3.39Å; D205-M209 PolarHBondContact O-N 2.99Å; D205-M209 VanDerWaalsContact O-N 3.08Å; R206-M209 PolarHBondContact O-N 3.13Å; W207-M209 PolarHBondContact O-N 3.17Å; M209-R213 PolarHBondContact O-N 2.91Å; M209-R213 VanDerWaalsContact O-N 3.16Å
210I83.1Confident78.1Confident75 Ų75115.4 Ų115.439%0.38554%0.537SS..Hα-helixtrans-69.9-45.8176.4-70.2170.1000110.7R206 W207 R212 R213 I214R206-I210 PolarHBondContact O-N 3.01Å; W207-I210 HydrophobicContact CE3-CD1 3.98Å; W207-I210 HydrophobicContact CZ3-CD1 3.98Å; W207-I210 PolarHBondContact O-N 2.9Å; I210-R212 VanDerWaalsContact C-N 3.31Å; I210-R212 PolarHBondContact O-N 3.47Å; I210-R213 WeakPolarHBondContact O-CA 3.04Å; I210-R213 WeakPolarHBondContact O-CB 3.29Å; I210-R213 PolarHBondContact O-N 2.78Å; I210-I214 HydrophobicContact CG2-CD1 4.04Å; I210-I214 HydrophobicContact CG2-CG1 4.49Å; I210-I214 WeakPolarHBondContact O-CG1 3.22Å; I210-I214 PolarHBondContact O-N 3.29Å
211D83.2Confident78.9Confident99 Ų99116.1 Ų116.153%0.52954%0.537SS..Hα-helixtrans-58.2-45.5176.5-81.5-24.6000111W207 R213 I214 D215W207-D211 PolarHBondContact O-N 3.37Å; D211-R213 PolarHBondContact O-N 3.31Å; D211-I214 PolarHBondContact O-N 2.9Å; D211-I214 VanDerWaalsContact O-N 3.11Å; D211-D215 PolarHBondContact O-N 2.99Å
212R85.6Confident79.7Confident163 Ų163115 Ų11562%0.61553%0.532SS*.Hα-helixtrans-60.4-33.1175.9-146.5-16885.5152.66.4113R208 I210 E216R208-R212 WeakPolarHBondContact O-CB 3.43Å; R208-R212 PolarHBondContact O-N 2.99Å; R208-R212 VanDerWaalsContact O-N 3.1Å; I210-R212 VanDerWaalsContact C-N 3.31Å; I210-R212 PolarHBondContact O-N 3.47Å; R212-E216 IonicContact CZ-OE1 3.26Å; R212-E216 VanDerWaalsContact CZ-OE1 3.26Å; R212-E216 IonicContact NE-OE1 3.9Å; R212-E216 PolarHBondContact NE-OE1 3.47Å; R212-E216 IonicContact NH2-OE1 2.67Å; R212-E216 PolarHBondContact NH2-OE1 3.46Å; R212-E216 WeakPolarHBondContact O-CB 3.46Å; R212-E216 WeakPolarHBondContact O-CG 3.28Å; R212-E216 PolarHBondContact O-N 3.43Å
213R84.9Confident79.9Confident160 Ų160113.3 Ų113.360%0.60453%0.534SS*.Hα-helixtrans-74-35.9177.6-151.581.3164.8-167-1.2111.7M209 I210 D211 L217M209-R213 PolarHBondContact O-N 2.91Å; M209-R213 VanDerWaalsContact O-N 3.16Å; I210-R213 WeakPolarHBondContact O-CA 3.04Å; I210-R213 WeakPolarHBondContact O-CB 3.29Å; I210-R213 PolarHBondContact O-N 2.78Å; D211-R213 PolarHBondContact O-N 3.31Å; R213-L217 WeakPolarHBondContact O-CB 3.41Å; R213-L217 VanDerWaalsContact O-CG 3.28Å; R213-L217 WeakPolarHBondContact O-CG 3.39Å; R213-L217 PolarHBondContact O-N 3.05Å
214I85.1Confident79.4Confident93 Ų93115.6 Ų115.648%0.47755%0.546SS..Hα-helixtrans-65.5-45.8174.1-70.4171.9000109.3I210 D211 L217 S218I210-I214 HydrophobicContact CG2-CD1 4.04Å; I210-I214 HydrophobicContact CG2-CG1 4.49Å; I210-I214 WeakPolarHBondContact O-CG1 3.22Å; I210-I214 PolarHBondContact O-N 3.29Å; D211-I214 PolarHBondContact O-N 2.9Å; D211-I214 VanDerWaalsContact O-N 3.11Å; I214-L217 PolarHBondContact O-N 3.43Å; I214-S218 WeakPolarHBondContact O-CB 3.22Å; I214-S218 PolarHBondContact O-N 2.88Å
215D85.5Confident78.4Confident109 Ų109115.3 Ų115.358%0.58355%0.551SS**Hα-helixtrans-61.7-46.5176.3-70.6-24.4000111.6D211 L217 S218 E219D211-D215 PolarHBondContact O-N 2.99Å; D215-L217 PolarHBondContact O-N 2.97Å; D215-S218 PolarHBondContact O-N 3.44Å; D215-E219 WeakPolarHBondContact O-CB 3.39Å; D215-E219 PolarHBondContact O-N 2.99Å
216E84.8Confident76.8Confident63 Ų63118 Ų11829%0.29456%0.563SS.*Hα-helixtrans-58.5-43.4174.7-83170.4-176.400112.3R212 E219 Q220R212-E216 IonicContact CZ-OE1 3.26Å; R212-E216 VanDerWaalsContact CZ-OE1 3.26Å; R212-E216 IonicContact NE-OE1 3.9Å; R212-E216 PolarHBondContact NE-OE1 3.47Å; R212-E216 IonicContact NH2-OE1 2.67Å; R212-E216 PolarHBondContact NH2-OE1 3.46Å; R212-E216 WeakPolarHBondContact O-CB 3.46Å; R212-E216 WeakPolarHBondContact O-CG 3.28Å; R212-E216 PolarHBondContact O-N 3.43Å; E216-E219 PolarHBondContact O-N 3.33Å; E216-Q220 WeakPolarHBondContact O-CB 3.09Å; E216-Q220 VanDerWaalsContact O-CG 3.28Å; E216-Q220 WeakPolarHBondContact O-CG 3.46Å; E216-Q220 PolarHBondContact O-N 3.32Å
217L82.7Confident75Confident94 Ų94120.6 Ų120.649%0.49257%0.573SS.*Hα-helixtrans-70.8-35.7178-76.6170.2000112.1R213 I214 D215 E219 Q220 L221R213-L217 WeakPolarHBondContact O-CB 3.41Å; R213-L217 VanDerWaalsContact O-CG 3.28Å; R213-L217 WeakPolarHBondContact O-CG 3.39Å; R213-L217 PolarHBondContact O-N 3.05Å; I214-L217 PolarHBondContact O-N 3.43Å; D215-L217 PolarHBondContact O-N 2.97Å; L217-E219 VanDerWaalsContact C-N 3.33Å; L217-Q220 PolarHBondContact O-N 3.01Å; L217-L221 WeakPolarHBondContact O-CB 3.47Å; L217-L221 VanDerWaalsContact O-CG 3.29Å; L217-L221 WeakPolarHBondContact O-CG 3.23Å; L217-L221 PolarHBondContact O-N 3.46Å
218S82.7Confident73.1Confident67 Ų67116.9 Ų116.947%0.46957%0.57SS.*Hα-helixtrans-67.2-36.9176-153.10000110.8I214 D215 S222I214-S218 WeakPolarHBondContact O-CB 3.22Å; I214-S218 PolarHBondContact O-N 2.88Å; D215-S218 PolarHBondContact O-N 3.44Å; S218-S222 WeakPolarHBondContact O-CB 3.3Å; S218-S222 PolarHBondContact O-N 3.01Å; S218-S222 PolarHBondContact O-OG 2.87Å
219E82.9Confident71.3Confident130 Ų130114.8 Ų114.861%0.60758%0.577SS**Hα-helixtrans-69.9-44.3173.4-166.1171.3-152.800111.5D215 E216 L217 L221 S222 I223D215-E219 WeakPolarHBondContact O-CB 3.39Å; D215-E219 PolarHBondContact O-N 2.99Å; E216-E219 PolarHBondContact O-N 3.33Å; L217-E219 VanDerWaalsContact C-N 3.33Å; E219-L221 VanDerWaalsContact C-N 3.34Å; E219-L221 PolarHBondContact O-N 3.05Å; E219-S222 WeakPolarHBondContact O-CB 3.31Å; E219-S222 PolarHBondContact O-N 3.31Å; E219-S222 VanDerWaalsContact O-N 3.1Å; E219-I223 HydrophobicContact CG-CD1 4.48Å; E219-I223 WeakPolarHBondContact O-CG1 3.44Å; E219-I223 PolarHBondContact O-N 3.01Å
220Q77.9Confident69.7Low113 Ų113115.5 Ų115.553%0.52858%0.579SS.*Hα-helixtrans-61.8-39.6173.8-74.9179.7700112.4E216 L217 S222 I223 L224E216-Q220 WeakPolarHBondContact O-CB 3.09Å; E216-Q220 VanDerWaalsContact O-CG 3.28Å; E216-Q220 WeakPolarHBondContact O-CG 3.46Å; E216-Q220 PolarHBondContact O-N 3.32Å; L217-Q220 PolarHBondContact O-N 3.01Å; Q220-S222 VanDerWaalsContact C-N 3.34Å; Q220-I223 PolarHBondContact O-N 3.5Å; Q220-L224 WeakPolarHBondContact O-CG 3.38Å; Q220-L224 PolarHBondContact O-N 3.36Å
221L71.1Confident68.1Low104 Ų104120.6 Ų120.655%0.54560%0.601SS.*Hα-helixtrans-67.7-34.8173.1-75.7174.8000111.7L217 E219 L224 T225L217-L221 WeakPolarHBondContact O-CB 3.47Å; L217-L221 VanDerWaalsContact O-CG 3.29Å; L217-L221 WeakPolarHBondContact O-CG 3.23Å; L217-L221 PolarHBondContact O-N 3.46Å; E219-L221 VanDerWaalsContact C-N 3.34Å; E219-L221 PolarHBondContact O-N 3.05Å; L221-L224 PolarHBondContact O-N 3.5Å; L221-T225 VanDerWaalsContact O-CB 3.3Å; L221-T225 WeakPolarHBondContact O-CB 3.5Å; L221-T225 VanDerWaalsContact O-CG2 3.31Å; L221-T225 WeakPolarHBondContact O-CG2 3.42Å; L221-T225 PolarHBondContact O-N 3Å; L221-T225 PolarHBondContact O-OG1 3.03Å
222S71.6Confident66.7Low61 Ų61119.4 Ų119.443%0.42759%0.594SS.*Hα-helixtrans-64.4-40.2173.8-64.70000111.5S218 E219 Q220 M226S218-S222 WeakPolarHBondContact O-CB 3.3Å; S218-S222 PolarHBondContact O-N 3.01Å; S218-S222 PolarHBondContact O-OG 2.87Å; E219-S222 WeakPolarHBondContact O-CB 3.31Å; E219-S222 PolarHBondContact O-N 3.31Å; E219-S222 VanDerWaalsContact O-N 3.1Å; Q220-S222 VanDerWaalsContact C-N 3.34Å; S222-M226 WeakPolarHBondContact O-CB 3.3Å; S222-M226 WeakPolarHBondContact O-CG 3.37Å; S222-M226 PolarHBondContact O-N 3.47Å
223I69.4Low64.9Low123 Ų123120.7 Ų120.763%0.63160%0.604SS**Hα-helixtrans-67.5-36.4175.5-63.1162.8000111.5E219 Q220E219-I223 HydrophobicContact CG-CD1 4.48Å; E219-I223 WeakPolarHBondContact O-CG1 3.44Å; E219-I223 PolarHBondContact O-N 3.01Å; Q220-I223 PolarHBondContact O-N 3.5Å
224L57Low63.7Low141 Ų141116.2 Ų116.274%0.73861%0.608SS**Hα-helixtrans-80.2-25.7179.6-70.4171.9000113.8Q220 L221Q220-L224 WeakPolarHBondContact O-CG 3.38Å; Q220-L224 PolarHBondContact O-N 3.36Å; L221-L224 PolarHBondContact O-N 3.5Å
225T53.7Low62.6Low104 Ų104115.2 Ų115.264%0.63860%0.603SS**Hα-helixtrans-95.9-19.8179.856.70000113.6L221 R227L221-T225 VanDerWaalsContact O-CB 3.3Å; L221-T225 WeakPolarHBondContact O-CB 3.5Å; L221-T225 VanDerWaalsContact O-CG2 3.31Å; L221-T225 WeakPolarHBondContact O-CG2 3.42Å; L221-T225 PolarHBondContact O-N 3Å; L221-T225 PolarHBondContact O-OG1 3.03Å; T225-R227 PolarHBondContact O-N 3.2Å
226M44.4Very low62.2Low142 Ų142116 Ų11670%0.760%0.603SS**  trans-98.572.9171.9-61.5-66.7-167.200110.9S222 P228S222-M226 WeakPolarHBondContact O-CB 3.3Å; S222-M226 WeakPolarHBondContact O-CG 3.37Å; S222-M226 PolarHBondContact O-N 3.47Å; M226-P228 WeakPolarHBondContact O-CD 3.35Å
227R42.9Very low61.9Low232 Ų232113 Ų11388%0.87559%0.59SS**  trans-63.2123151-96.7-178.5174.1169.7-1.3107.2T225T225-R227 PolarHBondContact O-N 3.2Å
228P40.6Very low61.7Low92 Ų92118.4 Ų118.460%0.59761%0.605SS**  trans-57.7135.6-172.7-22.931000111.9M226 E230M226-P228 WeakPolarHBondContact O-CD 3.35Å; P228-E230 HydrophobicContact CB-CG 4.36Å; P228-E230 PolarHBondContact O-N 2.96Å
229P45.7Very low61.4Low111 Ų111118.8 Ų118.872%0.72160%0.601SS**SBendtrans-78.941.9-179.533.5-34.8000112.8
230E49.3Very low61.5Low149 Ų149114.7 Ų114.770%0.69659%0.586SS**  trans-99.6-3-170.7-69.3-176.9149.500114.7P228P228-E230 HydrophobicContact CB-CG 4.36Å; P228-E230 PolarHBondContact O-N 2.96Å
231Q49.6Very low61.6Low182 Ų182111.5 Ų111.585%0.8558%0.583SS**SBendtrans-107.614.1174.6-73.9-177.2-12.300114.7
232L52.3Low62Low74 Ų74115.3 Ų115.339%0.38759%0.591SS.*  trans-112.87.4174.5-85130.2000114G234 F246L232-G234 PolarHBondContact O-N 2.76Å; L232-F246 HydrophobicContact CD2-CZ 4.44Å
233K48Very low62.4Low190 Ų190118.4 Ų118.483%0.82660%0.601SS**THydrogen-bonded Turntrans-71.2112.6169.2-84.3179.4176.6172.90109.5
234G60Low62.8Low66 Ų66115.6 Ų115.668%0.6860%0.602SS**THydrogen-bonded Turntrans98.7-1.3173.700000116.2L232 E236L232-G234 PolarHBondContact O-N 2.76Å; G234-E236 PolarHBondContact O-N 2.78Å
235L62.2Low63.9Low73 Ų73111 Ų11138%0.38258%0.577SS.*  trans-91.398.2173.8-91.5115.7000111.2
236E76.8Confident65.1Low124 Ų124110.5 Ų110.558%0.57957%0.566SS**BIsolated β-bridgetrans-73.5140.5166.8-54172.2-145.800109.6G234 Y238 I243G234-E236 PolarHBondContact O-N 2.78Å; E236-Y238 PolarHBondContact O-N 3.16Å; E236-Y238 VanDerWaalsContact O-N 3.16Å; E236-I243 HydrophobicContact CG-CG2 4.29Å
237C79.2Confident66.7Low2 Ų2105.1 Ų105.11%0.01454%0.544CS..  trans-64.9116.9169.6174.40000110.1I239 C240 G241 R242 H245C237-I239 PolarHBondContact O-N 3.04Å; C237-I239 PolarHBondContact SG-N 3.22Å; C237-C240 PolarHBondContact O-N 2.9Å; C237-G241 WeakPolarHBondContact O-CA 3.11Å; C237-G241 PolarHBondContact O-N 3.41Å; C237-R242 WeakPolarHBondContact CB-O 3.47Å; C237-R242 PolarHBondContact N-O 3.37Å; C237-H245 VanDerWaalsContact CB-CE1 3.46Å; C237-H245 WeakPolarHBondContact CB-CE1 3.45Å; C237-H245 WeakPolarHBondContact CB-NE2 3.29Å; C237-H245 PolarHBondContact SG-NE2 2.8Å
238Y77.9Confident68.4Low207 Ų207103.5 Ų103.581%0.81254%0.538SS*.THydrogen-bonded Turntrans-56.9-11.7176.7-62.1-76.3000115.4E236E236-Y238 PolarHBondContact O-N 3.16Å; E236-Y238 VanDerWaalsContact O-N 3.16Å
239I77.8Confident70.1Confident75 Ų75104.3 Ų104.339%0.38554%0.537SS..THydrogen-bonded Turntrans-100-37.3-179.4-58.6179.8000112.1C237 A247 C250 A252 N253C237-I239 PolarHBondContact O-N 3.04Å; C237-I239 PolarHBondContact SG-N 3.22Å; I239-A247 HydrophobicContact CD1-CB 3.85Å; I239-A247 WeakPolarHBondContact CD1-O 3.45Å; I239-A247 HydrophobicContact CG1-CB 3.91Å; I239-C250 HydrophobicContact CB-CB 4.19Å; I239-C250 HydrophobicContact CD1-CB 4.29Å; I239-C250 HydrophobicContact CG2-CB 4.45Å; I239-A252 HydrophobicContact CG2-CB 4.28Å; I239-N253 HydrophobicContact CD1-CB 3.65Å; I239-N253 VanDerWaalsContact CD1-ND2 3.33Å; I239-N253 WeakPolarHBondContact CD1-ND2 3.37Å; I239-N253 HydrophobicContact CG2-CB 4.33Å
240C84Confident71.7Confident43 Ų4399.1 Ų99.129%0.29150%0.504SS..THydrogen-bonded Turntrans-125.51.1-175.673.30000115.1C237 R242 H245 A252C237-C240 PolarHBondContact O-N 2.9Å; C240-R242 PolarHBondContact O-N 3.43Å; C240-H245 PolarHBondContact SG-CE1 2.87Å; C240-H245 PolarHBondContact SG-NE2 3.2Å; C240-A252 HydrophobicContact CB-CB 4.33Å
241G80.9Confident73.1Confident46 Ų46102.8 Ų102.847%0.47451%0.511SS..  trans68.5-1.9-178.700000115.2C237C237-G241 WeakPolarHBondContact O-CA 3.11Å; C237-G241 PolarHBondContact O-N 3.41Å
242R78.3Confident74.1Confident185 Ų18596.4 Ų96.470%0.69849%0.489SS*.  trans-86.6138-178.3-55.3-178.2-163.1177.52.4111.2C237 C240C237-R242 WeakPolarHBondContact CB-O 3.47Å; C237-R242 PolarHBondContact N-O 3.37Å; C240-R242 PolarHBondContact O-N 3.43Å
243I81.1Confident74.7Confident125 Ų12594.1 Ų94.164%0.64148%0.478SS*.BIsolated β-bridgetrans-71.6160.8172.358.9173000111.6E236E236-I243 HydrophobicContact CG-CG2 4.29Å
244G76.7Confident75.2Confident64 Ų6494.5 Ų94.566%0.6647%0.474SS*.SBendtrans95.34.7171.500000116.4
245H81.6Confident75Confident45 Ų4597.5 Ų97.521%0.20847%0.474CS..SBendtrans-156.1156.5171.166.9-69.3000112.1C237 C240 N249 C250C237-H245 VanDerWaalsContact CB-CE1 3.46Å; C237-H245 WeakPolarHBondContact CB-CE1 3.45Å; C237-H245 WeakPolarHBondContact CB-NE2 3.29Å; C237-H245 PolarHBondContact SG-NE2 2.8Å; C240-H245 PolarHBondContact SG-CE1 2.87Å; C240-H245 PolarHBondContact SG-NE2 3.2Å; H245-N249 HydrophobicContact CB-CB 4.49Å; H245-C250 VanDerWaalsContact CD2-CA 3.45Å; H245-C250 WeakPolarHBondContact CD2-CA 3.4Å; H245-C250 PolarHBondContact NE2-SG 2.91Å
246F77.5Confident74.4Confident94 Ų94101.5 Ų101.541%0.41249%0.491SS..  trans-78.8152.5172.6-63.2-81.8000111.6L232 R248 N249 C250L232-F246 HydrophobicContact CD2-CZ 4.44Å; F246-R248 HydrophobicContact CB-CG 3.77Å; F246-R248 PolarHBondContact O-N 2.79Å; F246-N249 CarbonylContact O-C 3.43Å; F246-N249 WeakPolarHBondContact O-CA 3.46Å; F246-N249 PolarHBondContact O-N 2.88Å; F246-C250 PolarHBondContact O-N 2.78Å
247A79.1Confident72.9Confident28 Ų28104.5 Ų104.523%0.23150%0.497CS..G310 helixtrans-49.2-35.6174.600000113.9I239 N249 C250I239-A247 HydrophobicContact CD1-CB 3.85Å; I239-A247 WeakPolarHBondContact CD1-O 3.45Å; I239-A247 HydrophobicContact CG1-CB 3.91Å; A247-N249 PolarHBondContact O-N 2.65Å; A247-C250 VanDerWaalsContact O-CB 3.23Å; A247-C250 WeakPolarHBondContact O-CB 3.41Å; A247-C250 PolarHBondContact O-N 3.32Å; A247-C250 VanDerWaalsContact O-N 3.16Å
248R78.2Confident71.2Confident198 Ų198108.6 Ų108.675%0.74753%0.526SS*.G310 helixtrans-62.8-25.5174.459.9175.1177.8-168.3-1114.6F246F246-R248 HydrophobicContact CB-CG 3.77Å; F246-R248 PolarHBondContact O-N 2.79Å
249N76.6Confident69.4Low109 Ų109105.7 Ų105.758%0.58352%0.523SS*.G310 helixtrans-104.210.3179.7-63.9-10.5000111.6H245 F246 A247 R251H245-N249 HydrophobicContact CB-CB 4.49Å; F246-N249 CarbonylContact O-C 3.43Å; F246-N249 WeakPolarHBondContact O-CA 3.46Å; F246-N249 PolarHBondContact O-N 2.88Å; A247-N249 PolarHBondContact O-N 2.65Å; N249-R251 PolarHBondContact O-N 3.28Å
250C79.6Confident67.4Low3 Ų3107.2 Ų107.22%0.0254%0.537CS..  trans-71.3122.4-177.8-170.70000111I239 H245 F246 A247 A252 N253I239-C250 HydrophobicContact CB-CB 4.19Å; I239-C250 HydrophobicContact CD1-CB 4.29Å; I239-C250 HydrophobicContact CG2-CB 4.45Å; H245-C250 VanDerWaalsContact CD2-CA 3.45Å; H245-C250 WeakPolarHBondContact CD2-CA 3.4Å; H245-C250 PolarHBondContact NE2-SG 2.91Å; F246-C250 PolarHBondContact O-N 2.78Å; A247-C250 VanDerWaalsContact O-CB 3.23Å; A247-C250 WeakPolarHBondContact O-CB 3.41Å; A247-C250 PolarHBondContact O-N 3.32Å; A247-C250 VanDerWaalsContact O-N 3.16Å; C250-A252 PolarHBondContact O-N 3.33Å; C250-N253 HydrophobicContact CB-CB 4.16Å; C250-N253 WeakPolarHBondContact O-CB 3.41Å; C250-N253 PolarHBondContact O-N 3.4Å; C250-N253 VanDerWaalsContact O-N 3.08Å
251R77Confident65.1Low225 Ų225113.2 Ų113.285%0.84956%0.56SS**THydrogen-bonded Turntrans-61.2-27.5177.4-144.6175.4-175.7-176.60.5112.1N249 R254N249-R251 PolarHBondContact O-N 3.28Å; R251-R254 PolarHBondContact O-N 3.34Å
252A72Confident63Low48 Ų48116.4 Ų116.440%0.39758%0.575SS.*THydrogen-bonded Turntrans-68.9-34.4175.100000112.9I239 C240 C250 R254 N255I239-A252 HydrophobicContact CG2-CB 4.28Å; C240-A252 HydrophobicContact CB-CB 4.33Å; C250-A252 PolarHBondContact O-N 3.33Å; A252-R254 PolarHBondContact O-N 2.6Å; A252-N255 PolarHBondContact O-N 3.1Å
253N64.4Low61Low27 Ų27113 Ų11314%0.14457%0.574CS.*Hα-helixtrans-70.7-19.5179.2-163.613.1000113.1I239 C250 N255 R257I239-N253 HydrophobicContact CD1-CB 3.65Å; I239-N253 VanDerWaalsContact CD1-ND2 3.33Å; I239-N253 WeakPolarHBondContact CD1-ND2 3.37Å; I239-N253 HydrophobicContact CG2-CB 4.33Å; C250-N253 HydrophobicContact CB-CB 4.16Å; C250-N253 WeakPolarHBondContact O-CB 3.41Å; C250-N253 PolarHBondContact O-N 3.4Å; C250-N253 VanDerWaalsContact O-N 3.08Å; N253-N255 VanDerWaalsContact C-N 3.32Å; N253-R257 WeakPolarHBondContact OD1-CD 3.4Å; N253-R257 PolarHBondContact OD1-NE 2.95Å
254R58.8Low58.9Low197 Ų197115.2 Ų115.274%0.74358%0.582SS**Hα-helixtrans-75.8-18.1174.8-78.7-170.4173.4-158.6-1113.3R251 A252 S258R251-R254 PolarHBondContact O-N 3.34Å; A252-R254 PolarHBondContact O-N 2.6Å; R254-S258 PolarHBondContact O-OG 3.29Å
255N55.9Low56.9Low129 Ų129120 Ų12069%0.6959%0.593SS**Hα-helixtrans-90.2-25.5-177.8-75.30.1000113.3A252 N253A252-N255 PolarHBondContact O-N 3.1Å; N253-N255 VanDerWaalsContact C-N 3.32Å
256E48.7Very low54.8Low158 Ų158122.3 Ų122.374%0.73862%0.619SS**Hα-helixtrans-90.8-28.3178.7-70.5-170.2159.700113.7
257R45.5Very low52.5Low187 Ų187125 Ų12571%0.70664%0.637SS**THydrogen-bonded Turntrans-880.7-179.9-67.9-176.9177.1-170.5-2.1114.7N253N253-R257 WeakPolarHBondContact OD1-CD 3.4Å; N253-R257 PolarHBondContact OD1-NE 2.95Å
258S43.2Very low50.4Low88 Ų88128.5 Ų128.562%0.61566%0.66SS**THydrogen-bonded Turntrans-98.80.3178.3-70.50000114.3R254R254-S258 PolarHBondContact O-OG 3.29Å
259L39.8Very low48.4Very low145 Ų145127.2 Ų127.276%0.75967%0.668SS**SBendtrans-93.5-1.9178.4-73.6167.7000114.4
260T36.2Very low46.4Very low108 Ų108133.6 Ų133.666%0.66368%0.684SS**SBendtrans-133.234.2-173.155.50000113.9
261H36.6Very low44.2Very low168 Ų168140 Ų14078%0.77872%0.722SS**SBendtrans-156.218.9168.3-106.7-70000116.2
262S36Very low42.2Very low114 Ų114138.2 Ų138.280%0.79772%0.716SS**SBendtrans-132.918.2179-66.50000115.8
263V36.6Very low40.6Very low112 Ų112145 Ų14568%0.67973%0.731SS**SBendtrans-107.13178.8-176.80000113.4
264Q36.7Very low39.3Very low172 Ų172148.2 Ų148.280%0.80476%0.756SS**SBendtrans-100.8-3-174.7-94.2162.7-29.400117.1
265N35.1Very low38.2Very low166 Ų166144.8 Ų144.889%0.88876%0.762SS**SBendtrans-123.220.3-175.5-73.9-10000115.6
266A36.3Very low37.1Very low92 Ų92142.2 Ų142.276%0.7677%0.766SS**SBendtrans-138.913.3176.900000115
267L30.5Very low36.4Very low150 Ų150140.2 Ų140.279%0.78577%0.766SS**  trans-124.764.9178.7-71.6174.5000111.1
268S34.3Very low35.7Very low102 Ų102138.2 Ų138.271%0.71378%0.775SS**SBendtrans-161.866.9164.750.30000109
269D36.5Very low34.9Very low172 Ų172137.8 Ų137.892%0.9278%0.777SS**  trans-170.967.5153.3-97-20.7000111.1
270R33.9Very low34.4Very low242 Ų242140.1 Ų140.191%0.91378%0.784SS**  trans-145.8113.4154.6-96.9-172.5-173-178.83107.1
271V34.1Very low33.8Very low137 Ų137146.2 Ų146.283%0.8379%0.794SS**  trans174.5108.8137.6162.90000107.9
272R35.2Very low33.3Very low188 Ų188144.6 Ų144.671%0.70980%0.796SS**  -178.7109129-101-176.3178.2-148.22.3108.2
273R37.3Very low32.7Very low192 Ų192144.5 Ų144.573%0.72580%0.795SS**  77.9125.6102.9-77.3-177-153.6-172.94.1110.9
274S38.3Very low32.2Very low94 Ų94142.7 Ų142.766%0.65780%0.8SS**  cis-170.8145.419.2-76.10000109.7
275S35.1Very low31.5Very low125 Ų125146.8 Ų146.887%0.87481%0.808SS**  trans50.6126.3132.7-39.10000122.7
276G32.2Very low31.1Very low74 Ų74150.6 Ų150.676%0.76381%0.81SS**  trans146.4104.6142.100000116
277P35.4Very low30.6Very low116 Ų116149.2 Ų149.275%0.75381%0.805SS**  trans-100.1155.4178.637-28.5000112.5
278T30.1Very low30.4Very low146 Ų146148.5 Ų148.590%0.89681%0.809SS**  166.4156.2125.935.90000112.7
279A26.5Very low30Very low79 Ų79155.4 Ų155.465%0.65382%0.819SS**  trans-50.6156.8-171.400000116.9
280H29.3Very low29.5Very low194 Ų194157.9 Ų157.990%0.89882%0.816SS**  -170.3130.3108.1-92.7-67.1000111.9
281R23Very low29.1Very low235 Ų235151.3 Ų151.389%0.88781%0.807SS**  trans-67.3131.1171.5167.7-159.3-83.4-162.4-5.6110.4
282V26.4Very low28.7Very low134 Ų134150.3 Ų150.381%0.81280%0.801SS**  trans-153.9134.5141.9175.90000110.8
283S24.2Very low28.2Very low112 Ų112151 Ų15178%0.78381%0.806SS**  trans-47.8149.3170.749.40000117.3
284G25.2Very low27.7Very low75 Ų75148.5 Ų148.577%0.77380%0.796SS**  trans-178.485162.300000113.3
285W23.1Very low27.2Very low258 Ų258150.6 Ų150.698%0.97781%0.805SS**  trans-64.5130.1164.2-83.671.8000110.2
286R27Very low27.2Very low246 Ų246151.8 Ų151.893%0.92880%0.797SS**  trans-155.1100.6156-102-157.3-81.8-106.24.3111.2
287G25.8Very low27.7Very low63 Ų63154.8 Ų154.865%0.64979%0.791SS**  trans62143.9137.500000120.3
288P26.6Very low28.5Very low134 Ų134154.1 Ų154.187%0.8779%0.785SS**  trans-77.6129.3-16833.6-32.4000110.5
289R25.6Very low29.8Very low247 Ų247148.7 Ų148.793%0.93275%0.752SS**  trans-131.9106.5168.3-79.2-166.5173-151.4-1.6111.2
290R25.3Very low31.9Very low224 Ų224148.2 Ų148.285%0.84575%0.749SS**  trans48.684.8155.1-96.5174.4169.6175.4-3.2115.3T292R290-T292 PolarHBondContact O-N 2.91Å
291S25.3Very low34.4Very low104 Ų104141.1 Ų141.173%0.72772%0.717SS**  trans-60.1120156.1176.30000108.8Y293S291-Y293 PolarHBondContact O-N 2.73Å
292T27Very low37.4Very low117 Ų117129.9 Ų129.972%0.71868%0.675SS**  trans-58.9117.9170.234.40000109.8R290 R294R290-T292 PolarHBondContact O-N 2.91Å; T292-R294 PolarHBondContact O-N 3.38Å
293Y24.3Very low40.3Very low203 Ų203124.3 Ų124.380%0.79664%0.64SS**  trans-56.7105.6171.8-37.9-86000108.4S291S291-Y293 PolarHBondContact O-N 2.73Å
294R26.2Very low43.3Very low138 Ų138119 Ų11952%0.52160%0.603SS.*  trans-84.3116.5170.5-86.9-178.1169.9167.30.8107.2T292 E296 A329 S330T292-R294 PolarHBondContact O-N 3.38Å; R294-E296 PolarHBondContact O-N 3.33Å; R294-A329 VanDerWaalsContact CZ-O 3.25Å; R294-A329 PolarHBondContact NE-O 3.2Å; R294-A329 PolarHBondContact NH2-O 3.43Å; R294-S330 VanDerWaalsContact CZ-OG 3.28Å; R294-S330 PolarHBondContact NH1-OG 2.94Å; R294-S330 VanDerWaalsContact NH2-CB 3.33Å; R294-S330 PolarHBondContact NH2-OG 3.13Å
295T27.5Very low46.2Very low139 Ų139115.6 Ų115.685%0.85357%0.567SS**  trans-50.4110.5155.235.90000108.1Q297T295-Q297 PolarHBondContact O-N 3.02Å
296E35.5Very low49.2Very low149 Ų149104.3 Ų104.370%0.69653%0.526SS*.  trans-61115.7-176.1-61.7-165.6151.400109.7R294 V298R294-E296 PolarHBondContact O-N 3.33Å; E296-V298 VanDerWaalsContact C-N 3.35Å; E296-V298 PolarHBondContact O-N 3.42Å
297Q42.7Very low51.9Low138 Ų138100.7 Ų100.765%0.64551%0.512SS*.  trans-67.897.1168-81.7175.9-29.400107.6T295 S299T295-Q297 PolarHBondContact O-N 3.02Å; Q297-S299 PolarHBondContact O-N 3.33Å
298V51.4Low54.6Low102 Ų10297.8 Ų97.862%0.61848%0.482SS*.  trans-54.7131.7170.9-175.80000108.3E296 A300 M369E296-V298 VanDerWaalsContact C-N 3.35Å; E296-V298 PolarHBondContact O-N 3.42Å; V298-A300 PolarHBondContact O-N 2.92Å; V298-A300 VanDerWaalsContact O-N 3.16Å; V298-M369 HydrophobicContact CG1-CG 4.14Å; V298-M369 HydrophobicContact CG1-SD 4.08Å
299S57.9Low57.3Low31 Ų3191.5 Ų91.522%0.21744%0.441CS..  trans-62.5121.3179.6-168.10000109.6Q297 I301 G368 M369Q297-S299 PolarHBondContact O-N 3.33Å; S299-I301 WeakPolarHBondContact CB-O 3.26Å; S299-I301 PolarHBondContact O-N 3.26Å; S299-I301 PolarHBondContact OG-O 3.31Å; S299-G368 CarbonylContact O-C 3.54Å; S299-G368 WeakPolarHBondContact O-CA 3.27Å; S299-M369 PolarHBondContact O-N 2.69Å
300A70.2Confident59.9Low70 Ų7084 Ų8458%0.57942%0.417SS*.SBendtrans-65.4-21.3175.300000112.1V298 D370V298-A300 PolarHBondContact O-N 2.92Å; V298-A300 VanDerWaalsContact O-N 3.16Å; A300-D370 PolarHBondContact O-N 2.82Å
301I82.2Confident62.5Low44 Ų4475.5 Ų75.523%0.22639%0.394CS..SBendtrans-129.6146-172.5-54.2171.6000109.6S299 I324 L326 I356S299-I301 WeakPolarHBondContact CB-O 3.26Å; S299-I301 PolarHBondContact O-N 3.26Å; S299-I301 PolarHBondContact OG-O 3.31Å; I301-I324 HydrophobicContact CD1-CD1 4.45Å; I301-L326 HydrophobicContact CD1-CD2 4.24Å; I301-I356 HydrophobicContact CD1-CD1 4.17Å; I301-I356 HydrophobicContact CG2-CD1 3.62Å; I301-I356 HydrophobicContact CG2-CG1 3.9Å
302S86.6Confident64.9Low0 Ų071.2 Ų71.20%036%0.363CS..  trans-74.1125.9176.5-61.50000111.4F353 I356 I366 G368 D370S302-F353 VanDerWaalsContact OG-CE1 3.3Å; S302-F353 WeakPolarHBondContact OG-CE1 3.42Å; S302-I356 PolarHBondContact O-N 3.19Å; S302-I366 CarbonylContact C-O 3.58Å; S302-I366 WeakPolarHBondContact CA-O 3.42Å; S302-G368 PolarHBondContact OG-N 3.35Å; S302-D370 VanDerWaalsContact N-CG 3.29Å; S302-D370 PolarHBondContact N-OD1 3.37Å; S302-D370 PolarHBondContact N-OD2 3.35Å; S302-D370 PolarHBondContact OG-OD1 3.28Å; S302-D370 PolarHBondContact OG-OD2 3.05Å
303L86.9Confident67.2Low17 Ų1769.8 Ų69.89%0.08936%0.363CS..EExtended strand (participates in β ladder)trans-114145.8-174.6-56.2179.9000110.7L326 I356 V358 L361 A365 I366L303-L326 HydrophobicContact CD2-CD1 3.72Å; L303-I356 WeakPolarHBondContact CA-O 3.46Å; L303-I356 HydrophobicContact CD2-CB 3.99Å; L303-I356 HydrophobicContact CD2-CG2 4.44Å; L303-V358 HydrophobicContact CB-CG2 4.23Å; L303-V358 HydrophobicContact CD1-CG2 4.47Å; L303-V358 HydrophobicContact CD2-CG1 4.08Å; L303-L361 HydrophobicContact CB-CD1 4.38Å; L303-L361 HydrophobicContact CB-CD2 3.93Å; L303-L361 HydrophobicContact CD1-CD1 4.11Å; L303-A365 CarbonylContact O-C 3.42Å; L303-A365 WeakPolarHBondContact O-CA 3.28Å; L303-I366 HydrophobicContact CB-CB 4.39Å; L303-I366 PolarHBondContact N-O 3.42Å; L303-I366 PolarHBondContact O-N 2.84Å
304L87.5Confident69.6Low1 Ų161.6 Ų61.61%0.00533%0.331CS..EExtended strand (participates in β ladder)trans-125.6135.3173.2-169.871.4000109.7V308 V309 I340 L342 F355 I356 V357 V358 A365L304-V308 HydrophobicContact CD1-CB 4.12Å; L304-V308 HydrophobicContact CD1-CG1 3.97Å; L304-V308 HydrophobicContact CG-CB 4.28Å; L304-V308 HydrophobicContact CG-CG1 4.44Å; L304-V309 HydrophobicContact CD2-CG2 3.62Å; L304-V309 HydrophobicContact CG-CG2 4.33Å; L304-I340 HydrophobicContact CD2-CG2 3.78Å; L304-L342 HydrophobicContact CD2-CD1 3.53Å; L304-F355 HydrophobicContact CB-CB 3.78Å; L304-F355 HydrophobicContact CB-CD1 4.16Å; L304-F355 HydrophobicContact CB-CG 4.1Å; L304-I356 PolarHBondContact N-O 3.36Å; L304-V357 WeakPolarHBondContact O-CA 3.18Å; L304-V358 PolarHBondContact O-N 2.97Å; L304-A365 HydrophobicContact CD1-CB 3.71Å
305S86Confident71.9Confident2 Ų260.2 Ų60.21%0.01433%0.331CS..EExtended strand (participates in β ladder)trans-67.4134.2174.8-173.50000110.1R307 V308 V309 D364S305-R307 PolarHBondContact O-N 2.76Å; S305-R307 VanDerWaalsContact O-N 3.12Å; S305-R307 PolarHBondContact OG-N 3Å; S305-V308 WeakPolarHBondContact O-CB 3.39Å; S305-V308 PolarHBondContact O-N 3.44Å; S305-V309 PolarHBondContact O-N 3.3Å; S305-D364 VanDerWaalsContact CB-O 3.26Å; S305-D364 WeakPolarHBondContact CB-O 3.44Å; S305-D364 PolarHBondContact N-O 3.43Å
306D86.4Confident74.1Confident21 Ų2161.5 Ų61.511%0.11233%0.333CS..Hα-helixtrans-51.4-31.6169.7179.548.1000112.6V308 V309 Q310 K337 V357 V358D306-V308 VanDerWaalsContact C-N 3.31Å; D306-V308 PolarHBondContact O-N 2.86Å; D306-V309 PolarHBondContact O-N 3.06Å; D306-Q310 VanDerWaalsContact O-CG 3.29Å; D306-Q310 WeakPolarHBondContact O-CG 3.08Å; D306-Q310 PolarHBondContact O-N 3.11Å; D306-Q310 PolarHBondContact OD2-NE2 3.47Å; D306-K337 HydrophobicContact CB-CD 4.33Å; D306-K337 VanDerWaalsContact OD1-CD 3.22Å; D306-K337 WeakPolarHBondContact OD1-CD 3.42Å; D306-K337 VanDerWaalsContact OD1-CE 3.29Å; D306-K337 WeakPolarHBondContact OD1-CE 3.34Å; D306-K337 IonicContact OD1-NZ 3.54Å; D306-K337 PolarHBondContact OD1-NZ 3.23Å; D306-K337 WeakPolarHBondContact OD2-CE 3.44Å; D306-K337 IonicContact OD2-NZ 2.83Å; D306-K337 PolarHBondContact OD2-NZ 3.27Å; D306-V357 HydrophobicContact CB-CG1 4.24Å; D306-V358 PolarHBondContact N-O 3.24Å
307R83.1Confident76.1Confident170 Ų17057.8 Ų57.864%0.64232%0.32SS*.Hα-helixtrans-61.4-37.7175.9-63.7-178.4-179.31720.2112.7S305 A311S305-R307 PolarHBondContact O-N 2.76Å; S305-R307 VanDerWaalsContact O-N 3.12Å; S305-R307 PolarHBondContact OG-N 3Å; R307-A311 VanDerWaalsContact O-CB 3.32Å; R307-A311 WeakPolarHBondContact O-CB 3.43Å; R307-A311 PolarHBondContact O-N 2.83Å
308V81.9Confident77.8Confident3 Ų353 Ų532%0.01830%0.3CS..Hα-helixtrans-71.4-38.6178.5178.40000110.2L304 S305 D306 Q310 A311 L312 D364 F436L304-V308 HydrophobicContact CD1-CB 4.12Å; L304-V308 HydrophobicContact CD1-CG1 3.97Å; L304-V308 HydrophobicContact CG-CB 4.28Å; L304-V308 HydrophobicContact CG-CG1 4.44Å; S305-V308 WeakPolarHBondContact O-CB 3.39Å; S305-V308 PolarHBondContact O-N 3.44Å; D306-V308 VanDerWaalsContact C-N 3.31Å; D306-V308 PolarHBondContact O-N 2.86Å; V308-Q310 VanDerWaalsContact C-N 3.34Å; V308-Q310 PolarHBondContact O-N 3.26Å; V308-A311 PolarHBondContact O-N 2.88Å; V308-L312 HydrophobicContact CG1-CD1 3.85Å; V308-L312 HydrophobicContact CG1-CG 4.23Å; V308-L312 WeakPolarHBondContact O-CB 3.46Å; V308-L312 VanDerWaalsContact O-CG 3.23Å; V308-L312 WeakPolarHBondContact O-CG 3.42Å; V308-L312 PolarHBondContact O-N 3.47Å; V308-D364 HydrophobicContact CG2-CB 3.63Å; V308-D364 WeakPolarHBondContact CG2-O 3.45Å; V308-F436 HydrophobicContact CG1-CD2 4.13Å; V308-F436 HydrophobicContact CG1-CE2 4.49Å; V308-F436 HydrophobicContact CG1-CG 4.15Å
309V83.1Confident79.2Confident1 Ų151.9 Ų51.91%0.00630%0.297CS..Hα-helixtrans-62.5-43.1175.61780000111.5L304 S305 D306 L312 A313 K314 E315 V318 I340 V357L304-V309 HydrophobicContact CD2-CG2 3.62Å; L304-V309 HydrophobicContact CG-CG2 4.33Å; S305-V309 PolarHBondContact O-N 3.3Å; D306-V309 PolarHBondContact O-N 3.06Å; V309-L312 PolarHBondContact O-N 3.21Å; V309-A313 PolarHBondContact O-N 3.35Å; V309-K314 HydrophobicContact CG1-CB 4.48Å; V309-K314 PolarHBondContact O-N 3.27Å; V309-E315 HydrophobicContact CG1-CG 4.2Å; V309-V318 HydrophobicContact CG1-CG2 3.61Å; V309-I340 HydrophobicContact CG1-CD1 4.42Å; V309-I340 HydrophobicContact CG2-CD1 4.39Å; V309-V357 HydrophobicContact CG2-CB 4.47Å; V309-V357 HydrophobicContact CG2-CG1 3.75Å; V309-V357 HydrophobicContact CG2-CG2 3.83Å
310Q81.2Confident79.9Confident90 Ų9053 Ų5342%0.42131%0.314SS..Hα-helixtrans-62.4-47174.2-69.3176.6-9.200111.1D306 V308 L312 A313 E315D306-Q310 VanDerWaalsContact O-CG 3.29Å; D306-Q310 WeakPolarHBondContact O-CG 3.08Å; D306-Q310 PolarHBondContact O-N 3.11Å; D306-Q310 PolarHBondContact OD2-NE2 3.47Å; V308-Q310 VanDerWaalsContact C-N 3.34Å; V308-Q310 PolarHBondContact O-N 3.26Å; Q310-L312 VanDerWaalsContact C-N 3.28Å; Q310-L312 PolarHBondContact O-N 3.48Å; Q310-A313 PolarHBondContact O-N 3.1Å; Q310-E315 HydrophobicContact CG-CG 4.42Å; Q310-E315 WeakPolarHBondContact CG-OE1 3.32Å
311A79.3Confident80.1Confident45 Ų4555.5 Ų55.537%0.37232%0.316SS..Hα-helixtrans-61.9-36.6178.800000112.3R307 V308 A313 M434 F436R307-A311 VanDerWaalsContact O-CB 3.32Å; R307-A311 WeakPolarHBondContact O-CB 3.43Å; R307-A311 PolarHBondContact O-N 2.83Å; V308-A311 PolarHBondContact O-N 2.88Å; A311-A313 PolarHBondContact O-N 3.1Å; A311-M434 WeakPolarHBondContact O-CE 3.43Å; A311-M434 VanDerWaalsContact O-SD 3.36Å; A311-F436 HydrophobicContact CB-CE1 4.27Å; A311-F436 HydrophobicContact CB-CE2 4.5Å; A311-F436 HydrophobicContact CB-CZ 3.67Å
312L75.4Confident79.5Confident15 Ų1554.3 Ų54.38%0.07931%0.311CS..THydrogen-bonded Turntrans-77.2-1.7175.5-70.4176.2000114V308 V309 Q310 K314 L342 M434 F436V308-L312 HydrophobicContact CG1-CD1 3.85Å; V308-L312 HydrophobicContact CG1-CG 4.23Å; V308-L312 WeakPolarHBondContact O-CB 3.46Å; V308-L312 VanDerWaalsContact O-CG 3.23Å; V308-L312 WeakPolarHBondContact O-CG 3.42Å; V308-L312 PolarHBondContact O-N 3.47Å; V309-L312 PolarHBondContact O-N 3.21Å; Q310-L312 VanDerWaalsContact C-N 3.28Å; Q310-L312 PolarHBondContact O-N 3.48Å; L312-K314 HydrophobicContact CB-CB 4.19Å; L312-K314 HydrophobicContact CB-CD 4.48Å; L312-K314 HydrophobicContact CB-CG 4.3Å; L312-K314 PolarHBondContact O-N 3.14Å; L312-L342 HydrophobicContact CD1-CD1 3.77Å; L312-M434 HydrophobicContact CD2-CB 4.25Å; L312-M434 HydrophobicContact CD2-SD 3.88Å; L312-F436 HydrophobicContact CD2-CD2 4.04Å; L312-F436 HydrophobicContact CD2-CE2 3.62Å; L312-F436 HydrophobicContact CG-CD2 4.38Å; L312-F436 HydrophobicContact CG-CE2 3.96Å
313A75.5Confident78.6Confident87 Ų8763.3 Ų63.372%0.71936%0.358SS*.THydrogen-bonded Turntrans50.939.5-173.600000113V309 Q310 A311V309-A313 PolarHBondContact O-N 3.35Å; Q310-A313 PolarHBondContact O-N 3.1Å; A311-A313 PolarHBondContact O-N 3.1Å
314K75.6Confident77.8Confident30 Ų3065.9 Ų65.913%0.1337%0.371CS..  trans-11418.8-172.3-89.1-165.8179-170.20114.7V309 L312 D316 T317 I340 L342 S414V309-K314 HydrophobicContact CG1-CB 4.48Å; V309-K314 PolarHBondContact O-N 3.27Å; L312-K314 HydrophobicContact CB-CB 4.19Å; L312-K314 HydrophobicContact CB-CD 4.48Å; L312-K314 HydrophobicContact CB-CG 4.3Å; L312-K314 PolarHBondContact O-N 3.14Å; K314-D316 PolarHBondContact O-N 3.19Å; K314-T317 WeakPolarHBondContact CB-OG1 3.41Å; K314-T317 HydrophobicContact CG-CG2 4.45Å; K314-T317 PolarHBondContact O-N 2.85Å; K314-T317 PolarHBondContact O-OG1 3.41Å; K314-I340 HydrophobicContact CB-CD1 3.98Å; K314-I340 HydrophobicContact CD-CD1 4.28Å; K314-L342 HydrophobicContact CD-CD2 3.57Å; K314-L342 VanDerWaalsContact NZ-CD2 3.28Å; K314-S414 WeakPolarHBondContact CE-O 3.43Å; K314-S414 PolarHBondContact NZ-O 2.94Å
315E73.9Confident77.2Confident109 Ų10977.4 Ų77.451%0.50942%0.415SS..G310 helixtrans-54.7-40.5-179.7-64.5177.7-15100112.4V309 Q310 T317 V318V309-E315 HydrophobicContact CG1-CG 4.2Å; Q310-E315 HydrophobicContact CG-CG 4.42Å; Q310-E315 WeakPolarHBondContact CG-OE1 3.32Å; E315-T317 PolarHBondContact O-N 3.26Å; E315-V318 WeakPolarHBondContact O-CB 3.33Å; E315-V318 PolarHBondContact O-N 3.34Å; E315-V318 VanDerWaalsContact O-N 3.08Å
316D73.3Confident76.7Confident167 Ų16778.6 Ų78.689%0.89342%0.421SS*.G310 helixtrans-66-19178.5-64.7-31000113.8K314K314-D316 PolarHBondContact O-N 3.19Å
317T78.4Confident76.3Confident71 Ų7182.6 Ų82.644%0.43644%0.441SS..G310 helixtrans-88.2-8.4177.267.10000113K314 E315 S319 I340K314-T317 WeakPolarHBondContact CB-OG1 3.41Å; K314-T317 HydrophobicContact CG-CG2 4.45Å; K314-T317 PolarHBondContact O-N 2.85Å; K314-T317 PolarHBondContact O-OG1 3.41Å; E315-T317 PolarHBondContact O-N 3.26Å; T317-S319 PolarHBondContact O-N 2.85Å; T317-I340 VanDerWaalsContact OG1-CD1 3.29Å; T317-I340 WeakPolarHBondContact OG1-CD1 3.29Å
318V79.1Confident76Confident37 Ų3777.5 Ų77.522%0.22443%0.427CS..  trans-74112.8175.3-176.30000108.5V309 E315 E339 I340 V357V309-V318 HydrophobicContact CG1-CG2 3.61Å; E315-V318 WeakPolarHBondContact O-CB 3.33Å; E315-V318 PolarHBondContact O-N 3.34Å; E315-V318 VanDerWaalsContact O-N 3.08Å; V318-E339 WeakPolarHBondContact CA-O 3.39Å; V318-I340 HydrophobicContact CG2-CB 4.45Å; V318-I340 HydrophobicContact CG2-CD1 4.34Å; V318-V357 HydrophobicContact CG1-CG2 4.22Å; V318-V357 HydrophobicContact CG2-CG2 4.16Å
319S79.9Confident75.3Confident78 Ų7879.7 Ų79.755%0.54545%0.446SS..BIsolated β-bridgetrans-117.5135.8-174.771.30000110.6T317 E339T317-S319 PolarHBondContact O-N 2.85Å; S319-E339 PolarHBondContact N-O 2.74Å; S319-E339 PolarHBondContact O-N 3.35Å; S319-E339 VanDerWaalsContact O-N 3.1Å
320G73.2Confident74.9Confident55 Ų5582.1 Ų82.157%0.56746%0.462SS*.  trans64.6130.7170.100000114.8P322 G338 E339G320-P322 WeakPolarHBondContact O-CD 3.35Å; G320-G338 CarbonylContact O-C 3.59Å; G320-G338 WeakPolarHBondContact O-CA 2.99Å; G320-E339 PolarHBondContact O-N 3.48Å
321I74.7Confident74.6Confident123 Ų12381.9 Ų81.963%0.63147%0.471SS*.  trans-85.4113.7165.5-57.7173.7000106.6V336I321-V336 HydrophobicContact CG2-CG1 4.43Å
322P69.1Low74.5Confident18 Ų1885.3 Ų85.312%0.11748%0.479CS..  trans-65.1144.5177.228.5-30.2000108.4G320 I324 V336 E339 I356G320-P322 WeakPolarHBondContact O-CD 3.35Å; P322-I324 HydrophobicContact CB-CD1 3.79Å; P322-I324 HydrophobicContact CB-CG1 3.99Å; P322-I324 HydrophobicContact CG-CD1 4.29Å; P322-I324 PolarHBondContact O-N 3.23Å; P322-V336 HydrophobicContact CG-CG1 4.01Å; P322-E339 HydrophobicContact CB-CG 4.24Å; P322-E339 WeakPolarHBondContact CB-OE1 3.36Å; P322-E339 HydrophobicContact CG-CG 3.81Å; P322-I356 HydrophobicContact CG-CD1 4.24Å; P322-I356 HydrophobicContact CG-CG2 4.45Å
323L68.1Low74.6Confident189 Ų18989.3 Ų89.399%0.9951%0.506SS*.SBendtrans-78.956.1-177.7-137.9125.5000110.3
324I69.6Low74.9Confident72 Ų7286.9 Ų86.937%0.36948%0.482SS..  trans-123.3129.7-172.1-58.3173.8000108.2I301 P322 L326 I356I301-I324 HydrophobicContact CD1-CD1 4.45Å; P322-I324 HydrophobicContact CB-CD1 3.79Å; P322-I324 HydrophobicContact CB-CG1 3.99Å; P322-I324 HydrophobicContact CG-CD1 4.29Å; P322-I324 PolarHBondContact O-N 3.23Å; I324-L326 HydrophobicContact CG2-CD2 3.81Å; I324-L326 HydrophobicContact CG2-CG 4.18Å; I324-I356 HydrophobicContact CD1-CD1 3.96Å
325R74.3Confident75.4Confident243 Ų24389.2 Ų89.292%0.91750%0.499SS*.  trans-94.3105.8170-76.1-175.9169.3-167.4-2.8108.9
326L76.2Confident76Confident26 Ų2685 Ų8514%0.13648%0.481CS..EExtended strand (participates in β ladder)trans-87.2134172.5-65.7-177000110I301 L303 I324 P333 V334 V336 I356 V358I301-L326 HydrophobicContact CD1-CD2 4.24Å; L303-L326 HydrophobicContact CD2-CD1 3.72Å; I324-L326 HydrophobicContact CG2-CD2 3.81Å; I324-L326 HydrophobicContact CG2-CG 4.18Å; L326-P333 WeakPolarHBondContact O-CA 3.22Å; L326-V334 HydrophobicContact CB-CB 3.97Å; L326-V334 PolarHBondContact O-N 3.38Å; L326-V336 HydrophobicContact CB-CG2 4.36Å; L326-V336 HydrophobicContact CD1-CG2 3.74Å; L326-V336 HydrophobicContact CG-CG2 4.02Å; L326-I356 HydrophobicContact CD1-CG2 4.15Å; L326-V358 HydrophobicContact CD1-CG1 3.9Å
327L78.2Confident76.6Confident105 Ų10580.8 Ų80.855%0.5545%0.454SS..EExtended strand (participates in β ladder)trans-118.3139.9172.8-59.4178.5000108Q332 P333L327-Q332 CarbonylContact C-O 3.58Å; L327-Q332 WeakPolarHBondContact CA-O 3.42Å; L327-P333 HydrophobicContact CD2-CB 4.33Å
328N75.7Confident77Confident63 Ų6377.4 Ų77.434%0.33743%0.434SS..  trans-78.7176.9171.369.212.9000111.1S330 S331 Q332 V334N328-S330 PolarHBondContact O-N 3.09Å; N328-S330 VanDerWaalsContact OD1-CA 3.26Å; N328-S330 WeakPolarHBondContact OD1-CA 3.44Å; N328-S330 VanDerWaalsContact OD1-CB 3.27Å; N328-S330 WeakPolarHBondContact OD1-CB 3.08Å; N328-S330 PolarHBondContact OD1-N 2.62Å; N328-S331 WeakPolarHBondContact O-CA 3.36Å; N328-S331 PolarHBondContact O-N 2.77Å; N328-S331 PolarHBondContact OD1-N 3.38Å; N328-Q332 PolarHBondContact N-O 3.02Å; N328-Q332 WeakPolarHBondContact OD1-CB 3.38Å; N328-Q332 PolarHBondContact OD1-N 3.05Å; N328-Q332 PolarHBondContact OD1-O 2.79Å; N328-V334 HydrophobicContact CB-CG2 3.9Å
329A68.3Low77.5Confident50 Ų5077.5 Ų77.541%0.41343%0.432SS..THydrogen-bonded Turntrans-58.6-13.9176.600000114.5R294R294-A329 VanDerWaalsContact CZ-O 3.25Å; R294-A329 PolarHBondContact NE-O 3.2Å; R294-A329 PolarHBondContact NH2-O 3.43Å
330S74.4Confident77.8Confident51 Ų5173.9 Ų73.936%0.35741%0.406SS..THydrogen-bonded Turntrans-94.310172.6-55.80000114.2R294 N328 Q332R294-S330 VanDerWaalsContact CZ-OG 3.28Å; R294-S330 PolarHBondContact NH1-OG 2.94Å; R294-S330 VanDerWaalsContact NH2-CB 3.33Å; R294-S330 PolarHBondContact NH2-OG 3.13Å; N328-S330 PolarHBondContact O-N 3.09Å; N328-S330 VanDerWaalsContact OD1-CA 3.26Å; N328-S330 WeakPolarHBondContact OD1-CA 3.44Å; N328-S330 VanDerWaalsContact OD1-CB 3.27Å; N328-S330 WeakPolarHBondContact OD1-CB 3.08Å; N328-S330 PolarHBondContact OD1-N 2.62Å; S330-Q332 PolarHBondContact O-N 3.31Å; S330-Q332 VanDerWaalsContact O-N 3.17Å
331S74.5Confident78.5Confident85 Ų8574.4 Ų74.459%0.59440%0.399SS*.SBendtrans57.421.3-172.3-55.30000113.9N328N328-S331 WeakPolarHBondContact O-CA 3.36Å; N328-S331 PolarHBondContact O-N 2.77Å; N328-S331 PolarHBondContact OD1-N 3.38Å
332Q76.4Confident78.9Confident118 Ų11868.6 Ų68.655%0.55137%0.369SS*.PPolyproline II helixtrans-89138.9173.6-62-64-41.900109.5L327 N328 S330 V334L327-Q332 CarbonylContact C-O 3.58Å; L327-Q332 WeakPolarHBondContact CA-O 3.42Å; N328-Q332 PolarHBondContact N-O 3.02Å; N328-Q332 WeakPolarHBondContact OD1-CB 3.38Å; N328-Q332 PolarHBondContact OD1-N 3.05Å; N328-Q332 PolarHBondContact OD1-O 2.79Å; S330-Q332 PolarHBondContact O-N 3.31Å; S330-Q332 VanDerWaalsContact O-N 3.17Å; Q332-V334 PolarHBondContact O-N 3.23Å
333P78.7Confident79.4Confident99 Ų9972.1 Ų72.164%0.64338%0.38SS*.EExtended strand (participates in β ladder)trans-62.9136.217825.4-32.1000111.4L326 L327L326-P333 WeakPolarHBondContact O-CA 3.22Å; L327-P333 HydrophobicContact CD2-CB 4.33Å
334V82Confident80.2Confident36 Ų3663.2 Ų63.222%0.21833%0.333CS..EExtended strand (participates in β ladder)trans-98.2128.5173.7-179.90000108.3L326 N328 Q332 V336 V358L326-V334 HydrophobicContact CB-CB 3.97Å; L326-V334 PolarHBondContact O-N 3.38Å; N328-V334 HydrophobicContact CB-CG2 3.9Å; Q332-V334 PolarHBondContact O-N 3.23Å; V334-V336 PolarHBondContact O-N 3.46Å; V334-V358 HydrophobicContact CG1-CB 3.75Å; V334-V358 HydrophobicContact CG1-CG1 3.9Å; V334-V358 HydrophobicContact CG1-CG2 4.37Å
335T85.2Confident80.7Confident79 Ų7960.8 Ų60.849%0.48532%0.323SS..  trans-74.6113.5178.6-50.80000110.2V358 Q359T335-V358 WeakPolarHBondContact O-CA 3.2Å; T335-Q359 PolarHBondContact O-N 2.9Å
336V86.3Confident81Confident21 Ų2149.2 Ų49.213%0.12728%0.279CS..EExtended strand (participates in β ladder)trans-89.9128176.1-179.80000109.6I321 P322 L326 V334 I356 V358I321-V336 HydrophobicContact CG2-CG1 4.43Å; P322-V336 HydrophobicContact CG-CG1 4.01Å; L326-V336 HydrophobicContact CB-CG2 4.36Å; L326-V336 HydrophobicContact CD1-CG2 3.74Å; L326-V336 HydrophobicContact CG-CG2 4.02Å; V334-V336 PolarHBondContact O-N 3.46Å; V336-I356 HydrophobicContact CB-CG2 4.5Å; V336-I356 HydrophobicContact CG1-CG2 3.51Å; V336-I356 HydrophobicContact CG2-CG2 4.26Å; V336-V358 HydrophobicContact CG2-CG1 4.29Å
337K86Confident81.2Confident77 Ų7749.5 Ų49.534%0.33529%0.288SS..EExtended strand (participates in β ladder)trans-92.7-30.9175.5-77.7-158.8176.6-174.20113.7D306 V357 Q359D306-K337 HydrophobicContact CB-CD 4.33Å; D306-K337 VanDerWaalsContact OD1-CD 3.22Å; D306-K337 WeakPolarHBondContact OD1-CD 3.42Å; D306-K337 VanDerWaalsContact OD1-CE 3.29Å; D306-K337 WeakPolarHBondContact OD1-CE 3.34Å; D306-K337 IonicContact OD1-NZ 3.54Å; D306-K337 PolarHBondContact OD1-NZ 3.23Å; D306-K337 WeakPolarHBondContact OD2-CE 3.44Å; D306-K337 IonicContact OD2-NZ 2.83Å; D306-K337 PolarHBondContact OD2-NZ 3.27Å; K337-V357 HydrophobicContact CB-CB 4.32Å; K337-V357 HydrophobicContact CB-CG1 4.15Å; K337-V357 PolarHBondContact N-O 3.31Å; K337-Q359 HydrophobicContact CD-CG 4.38Å; K337-Q359 HydrophobicContact CG-CG 4.15Å
338G87.5Confident81.2Confident0 Ų053 Ų530%030%0.299CS..EExtended strand (participates in β ladder)trans157.6-156.8176.100000112.6G320 V357G320-G338 CarbonylContact O-C 3.59Å; G320-G338 WeakPolarHBondContact O-CA 2.99Å; G338-V357 PolarHBondContact O-N 3.47Å
339E88.4Confident81.5Confident39 Ų3950.5 Ų50.518%0.18229%0.286CS..EExtended strand (participates in β ladder)trans-121.6142.6-179.5-53.6179.2134.500111.1V318 S319 G320 P322 K354 F355V318-E339 WeakPolarHBondContact CA-O 3.39Å; S319-E339 PolarHBondContact N-O 2.74Å; S319-E339 PolarHBondContact O-N 3.35Å; S319-E339 VanDerWaalsContact O-N 3.1Å; G320-E339 PolarHBondContact O-N 3.48Å; P322-E339 HydrophobicContact CB-CG 4.24Å; P322-E339 WeakPolarHBondContact CB-OE1 3.36Å; P322-E339 HydrophobicContact CG-CG 3.81Å; E339-K354 VanDerWaalsContact OE1-CE 3.25Å; E339-K354 WeakPolarHBondContact OE1-CE 3.49Å; E339-K354 IonicContact OE1-NZ 3.71Å; E339-K354 PolarHBondContact OE1-NZ 2.74Å; E339-K354 WeakPolarHBondContact OE2-CE 3.46Å; E339-K354 IonicContact OE2-NZ 3.32Å; E339-K354 PolarHBondContact OE2-NZ 3.36Å; E339-F355 WeakPolarHBondContact CA-O 3.31Å
340I87.3Confident82.1Confident3 Ų349.6 Ų49.62%0.01528%0.278CS..EExtended strand (participates in β ladder)trans-136146.4177-168.2172.1000109.8L304 V309 K314 T317 V318 L342 K354 F355 V357L304-I340 HydrophobicContact CD2-CG2 3.78Å; V309-I340 HydrophobicContact CG1-CD1 4.42Å; V309-I340 HydrophobicContact CG2-CD1 4.39Å; K314-I340 HydrophobicContact CB-CD1 3.98Å; K314-I340 HydrophobicContact CD-CD1 4.28Å; T317-I340 VanDerWaalsContact OG1-CD1 3.29Å; T317-I340 WeakPolarHBondContact OG1-CD1 3.29Å; V318-I340 HydrophobicContact CG2-CB 4.45Å; V318-I340 HydrophobicContact CG2-CD1 4.34Å; I340-L342 HydrophobicContact CD1-CD1 4.27Å; I340-L342 HydrophobicContact CD1-CD2 3.9Å; I340-L342 HydrophobicContact CD1-CG 4.09Å; I340-L342 HydrophobicContact CG1-CD2 4.16Å; I340-L342 HydrophobicContact CG1-CG 4.12Å; I340-L342 HydrophobicContact CG2-CD1 4.46Å; I340-L342 HydrophobicContact CG2-CG 4.41Å; I340-K354 CarbonylContact O-C 3.5Å; I340-K354 WeakPolarHBondContact O-CA 3.39Å; I340-F355 HydrophobicContact CG2-CB 4.06Å; I340-F355 PolarHBondContact N-O 2.85Å; I340-F355 PolarHBondContact O-N 3.23Å; I340-V357 HydrophobicContact CB-CG2 4.03Å; I340-V357 HydrophobicContact CG2-CG2 3.5Å
341T86.8Confident82.3Confident66 Ų6652.7 Ų52.741%0.40529%0.287SS..EExtended strand (participates in β ladder)trans-110.1121.1172-57.90000109.3P352 F353T341-P352 HydrophobicContact CG2-CB 3.86Å; T341-F353 WeakPolarHBondContact CA-O 3.34Å
342L83.8Confident82.7Confident0 Ų051.1 Ų51.10%027%0.274CS..EExtended strand (participates in β ladder)trans-128.6153-179.8-64.4179000110.2L304 L312 K314 I340 F353 F355 V412L304-L342 HydrophobicContact CD2-CD1 3.53Å; L312-L342 HydrophobicContact CD1-CD1 3.77Å; K314-L342 HydrophobicContact CD-CD2 3.57Å; K314-L342 VanDerWaalsContact NZ-CD2 3.28Å; I340-L342 HydrophobicContact CD1-CD1 4.27Å; I340-L342 HydrophobicContact CD1-CD2 3.9Å; I340-L342 HydrophobicContact CD1-CG 4.09Å; I340-L342 HydrophobicContact CG1-CD2 4.16Å; I340-L342 HydrophobicContact CG1-CG 4.12Å; I340-L342 HydrophobicContact CG2-CD1 4.46Å; I340-L342 HydrophobicContact CG2-CG 4.41Å; L342-F353 PolarHBondContact N-O 3.01Å; L342-F353 PolarHBondContact O-N 3.45Å; L342-F355 HydrophobicContact CB-CD2 4.47Å; L342-F355 HydrophobicContact CB-CE2 4.44Å; L342-V412 HydrophobicContact CB-CG1 3.86Å; L342-V412 HydrophobicContact CD1-CG1 3.6Å; L342-V412 HydrophobicContact CG-CG1 4.38Å
343R80.5Confident83.1Confident92 Ų9246.2 Ų46.235%0.34725%0.251SS..EExtended strand (participates in β ladder)trans-76.7127.7175.2-170.7178.5-168.4176.61.6109.4H351 H413 H415R343-H351 WeakPolarHBondContact CA-O 3.25Å; R343-H413 HydrophobicContact CB-CB 4.32Å; R343-H413 PolarHBondContact O-N 3.11Å; R343-H415 VanDerWaalsContact CB-O 3.27Å; R343-H415 WeakPolarHBondContact CB-O 3.42Å
344V83.5Confident83.5Confident2 Ų246.4 Ų46.41%0.01224%0.242CC..EExtended strand (participates in β ladder)trans-114.8133.6177.5-174.40000108.5V346 A350 H351 F353 F355 L367 Y411 V412V344-V346 HydrophobicContact CG1-CG2 3.75Å; V344-A350 CarbonylContact O-C 3.35Å; V344-A350 WeakPolarHBondContact O-CA 3.24Å; V344-H351 PolarHBondContact N-O 3.04Å; V344-H351 PolarHBondContact O-N 2.86Å; V344-F353 HydrophobicContact CB-CB 4.37Å; V344-F353 HydrophobicContact CG2-CB 3.67Å; V344-F355 HydrophobicContact CG2-CE2 3.35Å; V344-F355 HydrophobicContact CG2-CZ 3.4Å; V344-F355 VanDerWaalsContact CG2-CZ 3.4Å; V344-L367 HydrophobicContact CG1-CD1 4.48Å; V344-L367 HydrophobicContact CG1-CD2 4.43Å; V344-Y411 CarbonylContact C-O 3.47Å; V344-Y411 WeakPolarHBondContact CA-O 3.45Å; V344-V412 HydrophobicContact CG2-CG2 4.47Å
345S80.4Confident83.8Confident22 Ų2244.7 Ų44.715%0.15423%0.232CC..EExtended strand (participates in β ladder)trans-111120171.8-61.70000110.3L349 C410 Y411 H413S345-L349 CarbonylContact C-O 3.48Å; S345-L349 WeakPolarHBondContact CA-O 3.17Å; S345-C410 CarbonylContact O-C 3.59Å; S345-C410 VanDerWaalsContact O-CA 3.31Å; S345-C410 WeakPolarHBondContact O-CA 3.28Å; S345-Y411 PolarHBondContact N-O 2.95Å; S345-Y411 PolarHBondContact O-N 3.5Å; S345-H413 VanDerWaalsContact CB-NE2 3.25Å; S345-H413 WeakPolarHBondContact CB-NE2 3.46Å; S345-H413 PolarHBondContact OG-CD2 3.26Å; S345-H413 PolarHBondContact OG-NE2 3.23Å
346V81.1Confident83.9Confident0 Ų041.3 Ų41.30%021%0.21CC..EExtended strand (participates in β ladder)trans-131107.2176-169.60000108.1V344 K348 L349 L367 F371 I391 V394 C410 W440V344-V346 HydrophobicContact CG1-CG2 3.75Å; V346-K348 PolarHBondContact O-N 2.91Å; V346-K348 VanDerWaalsContact O-N 3.11Å; V346-L349 PolarHBondContact N-O 3.31Å; V346-L349 WeakPolarHBondContact O-CB 3.36Å; V346-L349 PolarHBondContact O-N 3.49Å; V346-L367 HydrophobicContact CG2-CD1 3.96Å; V346-F371 HydrophobicContact CB-CZ 4.08Å; V346-F371 HydrophobicContact CG2-CE1 4.13Å; V346-F371 HydrophobicContact CG2-CE2 4.19Å; V346-F371 HydrophobicContact CG2-CZ 3.48Å; V346-F371 VanDerWaalsContact CG2-CZ 3.48Å; V346-I391 HydrophobicContact CB-CG2 4.44Å; V346-I391 HydrophobicContact CG1-CG2 3.86Å; V346-V394 HydrophobicContact CG1-CG2 4.29Å; V346-C410 HydrophobicContact CG2-CB 4.35Å; V346-W440 HydrophobicContact CG1-CZ2 4Å
347G80.3Confident84.1Confident32 Ų3240.3 Ų40.333%0.3320%0.204SC..THydrogen-bonded Turntrans57.6-115.8-174.800000111.5I391 V394G347-I391 WeakPolarHBondContact CA-O 3.34Å; G347-V394 VanDerWaalsContact CA-CG2 3.45Å
348K78.3Confident84.2Confident177 Ų17736.6 Ų36.677%0.7719%0.188SC*.THydrogen-bonded Turntrans-85.6-13.2177.8-61.6-177.5-179.6-178.80114.1V346 C390 I391V346-K348 PolarHBondContact O-N 2.91Å; V346-K348 VanDerWaalsContact O-N 3.11Å; K348-C390 CarbonylContact C-O 3.57Å; K348-I391 PolarHBondContact N-O 3.46Å
349L80.9Confident84Confident12 Ų1240 Ų406%0.06320%0.204CC..EExtended strand (participates in β ladder)trans-85.6129.3-178.4-176.473.3000109.7S345 V346 F371 N375 C390 I391S345-L349 CarbonylContact C-O 3.48Å; S345-L349 WeakPolarHBondContact CA-O 3.17Å; V346-L349 PolarHBondContact N-O 3.31Å; V346-L349 WeakPolarHBondContact O-CB 3.36Å; V346-L349 PolarHBondContact O-N 3.49Å; L349-F371 HydrophobicContact CD2-CE2 4.09Å; L349-F371 HydrophobicContact CD2-CZ 3.83Å; L349-N375 HydrophobicContact CD2-CB 4.37Å; L349-N375 WeakPolarHBondContact CD2-OD1 3.28Å; L349-C390 HydrophobicContact CD1-CB 4.18Å; L349-C390 PolarHBondContact N-O 3.29Å; L349-I391 HydrophobicContact CB-CG1 3.95Å; L349-I391 HydrophobicContact CD2-CG1 3.98Å
350A82.4Confident83.6Confident30 Ų3044.7 Ų44.725%0.24823%0.23CC..EExtended strand (participates in β ladder)trans-139.888.8174.400000111.3V344V344-A350 CarbonylContact O-C 3.35Å; V344-A350 WeakPolarHBondContact O-CA 3.24Å
351H77.3Confident83.3Confident117 Ų11745.8 Ų45.854%0.54224%0.236SC..EExtended strand (participates in β ladder)trans-137.5154.3-170.7-76.6-16.4000114.1R343 V344 F353R343-H351 WeakPolarHBondContact CA-O 3.25Å; V344-H351 PolarHBondContact N-O 3.04Å; V344-H351 PolarHBondContact O-N 2.86Å; H351-F353 PolarHBondContact O-N 2.87Å
352P83Confident82.7Confident51 Ų5149.9 Ų49.933%0.33126%0.261SS..EExtended strand (participates in β ladder)trans-59.8126.4168.4-21.132.9000111.3T341T341-P352 HydrophobicContact CG2-CB 3.86Å
353F84.8Confident82.2Confident16 Ų1650.7 Ų50.77%0.0727%0.267CS..EExtended strand (participates in β ladder)trans-129.5142178.7-157.9-91.4000110.6S302 T341 L342 V344 H351 F355 F371 K374S302-F353 VanDerWaalsContact OG-CE1 3.3Å; S302-F353 WeakPolarHBondContact OG-CE1 3.42Å; T341-F353 WeakPolarHBondContact CA-O 3.34Å; L342-F353 PolarHBondContact N-O 3.01Å; L342-F353 PolarHBondContact O-N 3.45Å; V344-F353 HydrophobicContact CB-CB 4.37Å; V344-F353 HydrophobicContact CG2-CB 3.67Å; H351-F353 PolarHBondContact O-N 2.87Å; F353-F355 HydrophobicContact CB-CE2 4.16Å; F353-F355 HydrophobicContact CD1-CD2 4.49Å; F353-F355 HydrophobicContact CD1-CE2 4.21Å; F353-F355 HydrophobicContact CD1-CZ 4.26Å; F353-F371 HydrophobicContact CD1-CD2 4.35Å; F353-F371 AromaticContact CD2-CD2 3.62Å; F353-F371 HydrophobicContact CD2-CD2 3.62Å; F353-F371 HydrophobicContact CD2-CE2 4.22Å; F353-F371 HydrophobicContact CE1-CB 4.09Å; F353-F371 HydrophobicContact CE1-CD2 4.27Å; F353-F371 HydrophobicContact CE2-CB 3.96Å; F353-F371 AromaticContact CE2-CD2 3.49Å; F353-F371 HydrophobicContact CE2-CD2 3.49Å; F353-F371 VanDerWaalsContact CE2-CD2 3.49Å; F353-F371 HydrophobicContact CE2-CE2 4.42Å; F353-F371 HydrophobicContact CE2-CG 4.16Å; F353-F371 HydrophobicContact CG-CD2 4.06Å; F353-F371 VanDerWaalsContact CZ-CA 3.45Å; F353-F371 HydrophobicContact CZ-CB 3.55Å; F353-F371 AromaticContact CZ-CD2 3.86Å; F353-F371 HydrophobicContact CZ-CD2 3.86Å; F353-F371 HydrophobicContact CZ-CG 4.2Å; F353-K374 HydrophobicContact CE2-CD 4.05Å
354K87.5Confident82.2Confident103 Ų10349.6 Ų49.645%0.44827%0.268SS..EExtended strand (participates in β ladder)trans-91.4127.1-177.4-174.3-176.7177.9-1720109.6E339 I340E339-K354 VanDerWaalsContact OE1-CE 3.25Å; E339-K354 WeakPolarHBondContact OE1-CE 3.49Å; E339-K354 IonicContact OE1-NZ 3.71Å; E339-K354 PolarHBondContact OE1-NZ 2.74Å; E339-K354 WeakPolarHBondContact OE2-CE 3.46Å; E339-K354 IonicContact OE2-NZ 3.32Å; E339-K354 PolarHBondContact OE2-NZ 3.36Å; I340-K354 CarbonylContact O-C 3.5Å; I340-K354 WeakPolarHBondContact O-CA 3.39Å
355F88.6Confident82.1Confident0 Ų049.7 Ų49.70%027%0.269CS..EExtended strand (participates in β ladder)trans-115.3147.9176.7-68.9-89.6000111.1L304 E339 I340 L342 V344 F353 L367 V412L304-F355 HydrophobicContact CB-CB 3.78Å; L304-F355 HydrophobicContact CB-CD1 4.16Å; L304-F355 HydrophobicContact CB-CG 4.1Å; E339-F355 WeakPolarHBondContact CA-O 3.31Å; I340-F355 HydrophobicContact CG2-CB 4.06Å; I340-F355 PolarHBondContact N-O 2.85Å; I340-F355 PolarHBondContact O-N 3.23Å; L342-F355 HydrophobicContact CB-CD2 4.47Å; L342-F355 HydrophobicContact CB-CE2 4.44Å; V344-F355 HydrophobicContact CG2-CE2 3.35Å; V344-F355 HydrophobicContact CG2-CZ 3.4Å; V344-F355 VanDerWaalsContact CG2-CZ 3.4Å; F353-F355 HydrophobicContact CB-CE2 4.16Å; F353-F355 HydrophobicContact CD1-CD2 4.49Å; F353-F355 HydrophobicContact CD1-CE2 4.21Å; F353-F355 HydrophobicContact CD1-CZ 4.26Å; F355-L367 HydrophobicContact CE1-CD2 3.79Å; F355-L367 HydrophobicContact CZ-CD2 3.83Å; F355-V412 HydrophobicContact CZ-CG2 4.28Å
356I88.1Confident82.3Confident7 Ų751.4 Ų51.44%0.03628%0.276CS..EExtended strand (participates in β ladder)trans-90.3123.3163.7-58.9-172.2000108.6I301 S302 L303 L304 P322 I324 L326 V336 V358I301-I356 HydrophobicContact CD1-CD1 4.17Å; I301-I356 HydrophobicContact CG2-CD1 3.62Å; I301-I356 HydrophobicContact CG2-CG1 3.9Å; S302-I356 PolarHBondContact O-N 3.19Å; L303-I356 WeakPolarHBondContact CA-O 3.46Å; L303-I356 HydrophobicContact CD2-CB 3.99Å; L303-I356 HydrophobicContact CD2-CG2 4.44Å; L304-I356 PolarHBondContact N-O 3.36Å; P322-I356 HydrophobicContact CG-CD1 4.24Å; P322-I356 HydrophobicContact CG-CG2 4.45Å; I324-I356 HydrophobicContact CD1-CD1 3.96Å; L326-I356 HydrophobicContact CD1-CG2 4.15Å; V336-I356 HydrophobicContact CB-CG2 4.5Å; V336-I356 HydrophobicContact CG1-CG2 3.51Å; V336-I356 HydrophobicContact CG2-CG2 4.26Å; I356-V358 HydrophobicContact CG2-CG1 4.09Å
357V88.9Confident82.4Confident0 Ų052.2 Ų52.20%028%0.281CS..EExtended strand (participates in β ladder)trans-82.5125.6178.8-174.10000109.5L304 D306 V309 V318 K337 G338 I340L304-V357 WeakPolarHBondContact O-CA 3.18Å; D306-V357 HydrophobicContact CB-CG1 4.24Å; V309-V357 HydrophobicContact CG2-CB 4.47Å; V309-V357 HydrophobicContact CG2-CG1 3.75Å; V309-V357 HydrophobicContact CG2-CG2 3.83Å; V318-V357 HydrophobicContact CG1-CG2 4.22Å; V318-V357 HydrophobicContact CG2-CG2 4.16Å; K337-V357 HydrophobicContact CB-CB 4.32Å; K337-V357 HydrophobicContact CB-CG1 4.15Å; K337-V357 PolarHBondContact N-O 3.31Å; G338-V357 PolarHBondContact O-N 3.47Å; I340-V357 HydrophobicContact CB-CG2 4.03Å; I340-V357 HydrophobicContact CG2-CG2 3.5Å
358V87.8Confident82.5Confident0 Ų050.7 Ų50.70%027%0.265CS..EExtended strand (participates in β ladder)trans-130.7148.8-177.5-610000112.3L303 L304 D306 L326 V334 T335 V336 I356 L361L303-V358 HydrophobicContact CB-CG2 4.23Å; L303-V358 HydrophobicContact CD1-CG2 4.47Å; L303-V358 HydrophobicContact CD2-CG1 4.08Å; L304-V358 PolarHBondContact O-N 2.97Å; D306-V358 PolarHBondContact N-O 3.24Å; L326-V358 HydrophobicContact CD1-CG1 3.9Å; V334-V358 HydrophobicContact CG1-CB 3.75Å; V334-V358 HydrophobicContact CG1-CG1 3.9Å; V334-V358 HydrophobicContact CG1-CG2 4.37Å; T335-V358 WeakPolarHBondContact O-CA 3.2Å; V336-V358 HydrophobicContact CG2-CG1 4.29Å; I356-V358 HydrophobicContact CG2-CG1 4.09Å; V358-L361 HydrophobicContact CG2-CB 3.97Å; V358-L361 HydrophobicContact CG2-CD1 3.94Å; V358-L361 HydrophobicContact CG2-CD2 4.1Å; V358-L361 HydrophobicContact CG2-CG 4.23Å
359Q85.3Confident82.6Confident70 Ų7046.3 Ų46.333%0.32725%0.248SC..THydrogen-bonded Turntrans-81.1149.2172-68.2-178.5-25.900111.2T335 K337 L361T335-Q359 PolarHBondContact O-N 2.9Å; K337-Q359 HydrophobicContact CD-CG 4.38Å; K337-Q359 HydrophobicContact CG-CG 4.15Å; Q359-L361 VanDerWaalsContact C-N 3.28Å; Q359-L361 PolarHBondContact O-N 3.11Å
360N79.1Confident82.7Confident138 Ų13848.1 Ų48.174%0.73826%0.258SS*.THydrogen-bonded Turntrans58.934.3173.2-53.5-38.7000114.3
361L80.4Confident82.9Confident26 Ų2646.8 Ų46.814%0.13625%0.247CC..  trans-68.4133.5169-160.259000109.5L303 V358 Q359 A363 I366L303-L361 HydrophobicContact CB-CD1 4.38Å; L303-L361 HydrophobicContact CB-CD2 3.93Å; L303-L361 HydrophobicContact CD1-CD1 4.11Å; V358-L361 HydrophobicContact CG2-CB 3.97Å; V358-L361 HydrophobicContact CG2-CD1 3.94Å; V358-L361 HydrophobicContact CG2-CD2 4.1Å; V358-L361 HydrophobicContact CG2-CG 4.23Å; Q359-L361 VanDerWaalsContact C-N 3.28Å; Q359-L361 PolarHBondContact O-N 3.11Å; L361-A363 VanDerWaalsContact C-N 3.33Å; L361-A363 WeakPolarHBondContact CB-O 3.43Å; L361-A363 VanDerWaalsContact CD2-O 3.3Å; L361-A363 WeakPolarHBondContact CD2-O 3.36Å; L361-A363 WeakPolarHBondContact CG-O 3.37Å; L361-I366 HydrophobicContact CD1-CD1 3.71Å; L361-I366 HydrophobicContact CD1-CG1 4.42Å; L361-I366 HydrophobicContact CD2-CD1 4.39Å; L361-I366 HydrophobicContact CD2-CG1 4.21Å; L361-I366 HydrophobicContact CG-CD1 4.25Å
362V75.2Confident83.2Confident153 Ų15342 Ų4293%0.92723%0.225SC*.SBendtrans-71.7-32.2-180-179.20000111.3
363A73.8Confident83.1Confident16 Ų1644.7 Ų44.713%0.13224%0.24CC..SBendtrans-100.7159.6172.700000110.8L361 I366 P439L361-A363 VanDerWaalsContact C-N 3.33Å; L361-A363 WeakPolarHBondContact CB-O 3.43Å; L361-A363 VanDerWaalsContact CD2-O 3.3Å; L361-A363 WeakPolarHBondContact CD2-O 3.36Å; L361-A363 WeakPolarHBondContact CG-O 3.37Å; A363-I366 HydrophobicContact CB-CG1 4.03Å; A363-P439 HydrophobicContact CB-CG 4.49Å
364D79.4Confident83.1Confident70 Ų7051.1 Ų51.137%0.37427%0.268SS..SBendtrans-68.5-42.1176.9-72.5-28.1000111.7S305 V308S305-D364 VanDerWaalsContact CB-O 3.26Å; S305-D364 WeakPolarHBondContact CB-O 3.44Å; S305-D364 PolarHBondContact N-O 3.43Å; V308-D364 HydrophobicContact CG2-CB 3.63Å; V308-D364 WeakPolarHBondContact CG2-O 3.45Å
365A81.3Confident82.8Confident4 Ų447.4 Ų47.43%0.03325%0.253CS..EExtended strand (participates in β ladder)trans-142.4155.9169.600000110.2L303 L304 V412 V438L303-A365 CarbonylContact O-C 3.42Å; L303-A365 WeakPolarHBondContact O-CA 3.28Å; L304-A365 HydrophobicContact CD1-CB 3.71Å; A365-V412 HydrophobicContact CB-CG2 4.24Å; A365-V438 HydrophobicContact CB-CG1 4.01Å; A365-V438 HydrophobicContact CB-CG2 3.84Å; A365-V438 WeakPolarHBondContact O-CG1 3.4Å
366I83.9Confident82.4Confident57 Ų5749.9 Ų49.929%0.29228%0.279SS..EExtended strand (participates in β ladder)trans-130.8123.3170.9-60.6-179.5000107.1S302 L303 L361 A363S302-I366 CarbonylContact C-O 3.58Å; S302-I366 WeakPolarHBondContact CA-O 3.42Å; L303-I366 HydrophobicContact CB-CB 4.39Å; L303-I366 PolarHBondContact N-O 3.42Å; L303-I366 PolarHBondContact O-N 2.84Å; L361-I366 HydrophobicContact CD1-CD1 3.71Å; L361-I366 HydrophobicContact CD1-CG1 4.42Å; L361-I366 HydrophobicContact CD2-CD1 4.39Å; L361-I366 HydrophobicContact CD2-CG1 4.21Å; L361-I366 HydrophobicContact CG-CD1 4.25Å; A363-I366 HydrophobicContact CB-CG1 4.03Å
367L83.2Confident82.1Confident18 Ų1850.5 Ų50.59%0.09429%0.285CS..  trans-84.6117.9167.4-65.4177.5000108.6V344 V346 F355 F371 W440V344-L367 HydrophobicContact CG1-CD1 4.48Å; V344-L367 HydrophobicContact CG1-CD2 4.43Å; V346-L367 HydrophobicContact CG2-CD1 3.96Å; F355-L367 HydrophobicContact CE1-CD2 3.79Å; F355-L367 HydrophobicContact CZ-CD2 3.83Å; L367-F371 HydrophobicContact CB-CB 4.19Å; L367-F371 HydrophobicContact CB-CD1 4.22Å; L367-F371 HydrophobicContact CB-CG 4.2Å; L367-F371 HydrophobicContact CD1-CD1 3.96Å; L367-F371 HydrophobicContact CD1-CD2 4.34Å; L367-F371 HydrophobicContact CD1-CE1 3.94Å; L367-F371 HydrophobicContact CD1-CE2 4.33Å; L367-F371 HydrophobicContact CD1-CG 4.18Å; L367-F371 HydrophobicContact CD1-CZ 4.14Å; L367-F371 HydrophobicContact CD2-CB 4.26Å; L367-F371 HydrophobicContact CD2-CD2 3.86Å; L367-F371 HydrophobicContact CD2-CE2 4.4Å; L367-F371 HydrophobicContact CD2-CG 3.97Å; L367-F371 HydrophobicContact CG-CD1 4.48Å; L367-F371 HydrophobicContact CG-CG 4.35Å; L367-W440 HydrophobicContact CB-CH2 4.47Å; L367-W440 HydrophobicContact CD1-CH2 3.92Å; L367-W440 HydrophobicContact CD1-CZ2 3.83Å
368G83.5Confident81.8Confident0 Ų055.4 Ų55.40%031%0.311CS..  trans-86.2-176.9-178.700000113S299 S302 D370 F371 L372S299-G368 CarbonylContact O-C 3.54Å; S299-G368 WeakPolarHBondContact O-CA 3.27Å; S302-G368 PolarHBondContact OG-N 3.35Å; G368-D370 VanDerWaalsContact C-OD1 3.27Å; G368-D370 WeakPolarHBondContact CA-OD1 3.39Å; G368-D370 PolarHBondContact O-N 2.95Å; G368-F371 PolarHBondContact O-N 2.97Å; G368-F371 VanDerWaalsContact O-N 3.13Å; G368-L372 PolarHBondContact O-N 3.17Å
369M81.2Confident81.5Confident84 Ų8458 Ų5841%0.41433%0.327SS..Hα-helixtrans-60.5-28.3174.2-68.6-58.5-5700112.9V298 S299 F371 L372 V373V298-M369 HydrophobicContact CG1-CG 4.14Å; V298-M369 HydrophobicContact CG1-SD 4.08Å; S299-M369 PolarHBondContact O-N 2.69Å; M369-F371 VanDerWaalsContact C-N 3.31Å; M369-F371 PolarHBondContact O-N 2.79Å; M369-L372 PolarHBondContact O-N 3.46Å; M369-L372 HydrophobicContact SD-CD1 3.86Å; M369-V373 HydrophobicContact CE-CG2 4.39Å; M369-V373 WeakPolarHBondContact O-CB 3.17Å; M369-V373 VanDerWaalsContact O-CG2 3.25Å; M369-V373 WeakPolarHBondContact O-CG2 3.25Å; M369-V373 PolarHBondContact O-N 3.06Å
370D83.2Confident81.2Confident51 Ų5157 Ų5727%0.27332%0.323SS..Hα-helixtrans-57.6-40.6173.260.1-18.8000113A300 S302 G368 K374A300-D370 PolarHBondContact O-N 2.82Å; S302-D370 VanDerWaalsContact N-CG 3.29Å; S302-D370 PolarHBondContact N-OD1 3.37Å; S302-D370 PolarHBondContact N-OD2 3.35Å; S302-D370 PolarHBondContact OG-OD1 3.28Å; S302-D370 PolarHBondContact OG-OD2 3.05Å; G368-D370 VanDerWaalsContact C-OD1 3.27Å; G368-D370 WeakPolarHBondContact CA-OD1 3.39Å; G368-D370 PolarHBondContact O-N 2.95Å; D370-K374 WeakPolarHBondContact O-CB 3.26Å; D370-K374 PolarHBondContact O-N 3.5Å
371F85.4Confident81.1Confident2 Ų256.4 Ų56.41%0.00932%0.32CS..Hα-helixtrans-68.3-46.6174.2177.6-88.5000111.3V346 L349 F353 L367 G368 M369 K374 N375 I391V346-F371 HydrophobicContact CB-CZ 4.08Å; V346-F371 HydrophobicContact CG2-CE1 4.13Å; V346-F371 HydrophobicContact CG2-CE2 4.19Å; V346-F371 HydrophobicContact CG2-CZ 3.48Å; V346-F371 VanDerWaalsContact CG2-CZ 3.48Å; L349-F371 HydrophobicContact CD2-CE2 4.09Å; L349-F371 HydrophobicContact CD2-CZ 3.83Å; F353-F371 HydrophobicContact CD1-CD2 4.35Å; F353-F371 AromaticContact CD2-CD2 3.62Å; F353-F371 HydrophobicContact CD2-CD2 3.62Å; F353-F371 HydrophobicContact CD2-CE2 4.22Å; F353-F371 HydrophobicContact CE1-CB 4.09Å; F353-F371 HydrophobicContact CE1-CD2 4.27Å; F353-F371 HydrophobicContact CE2-CB 3.96Å; F353-F371 AromaticContact CE2-CD2 3.49Å; F353-F371 HydrophobicContact CE2-CD2 3.49Å; F353-F371 VanDerWaalsContact CE2-CD2 3.49Å; F353-F371 HydrophobicContact CE2-CE2 4.42Å; F353-F371 HydrophobicContact CE2-CG 4.16Å; F353-F371 HydrophobicContact CG-CD2 4.06Å; F353-F371 VanDerWaalsContact CZ-CA 3.45Å; F353-F371 HydrophobicContact CZ-CB 3.55Å; F353-F371 AromaticContact CZ-CD2 3.86Å; F353-F371 HydrophobicContact CZ-CD2 3.86Å; F353-F371 HydrophobicContact CZ-CG 4.2Å; L367-F371 HydrophobicContact CB-CB 4.19Å; L367-F371 HydrophobicContact CB-CD1 4.22Å; L367-F371 HydrophobicContact CB-CG 4.2Å; L367-F371 HydrophobicContact CD1-CD1 3.96Å; L367-F371 HydrophobicContact CD1-CD2 4.34Å; L367-F371 HydrophobicContact CD1-CE1 3.94Å; L367-F371 HydrophobicContact CD1-CE2 4.33Å; L367-F371 HydrophobicContact CD1-CG 4.18Å; L367-F371 HydrophobicContact CD1-CZ 4.14Å; L367-F371 HydrophobicContact CD2-CB 4.26Å; L367-F371 HydrophobicContact CD2-CD2 3.86Å; L367-F371 HydrophobicContact CD2-CE2 4.4Å; L367-F371 HydrophobicContact CD2-CG 3.97Å; L367-F371 HydrophobicContact CG-CD1 4.48Å; L367-F371 HydrophobicContact CG-CG 4.35Å; G368-F371 PolarHBondContact O-N 2.97Å; G368-F371 VanDerWaalsContact O-N 3.13Å; M369-F371 VanDerWaalsContact C-N 3.31Å; M369-F371 PolarHBondContact O-N 2.79Å; F371-K374 PolarHBondContact O-N 2.89Å; F371-N375 WeakPolarHBondContact CE2-ND2 3.36Å; F371-N375 PolarHBondContact O-N 3.32Å; F371-N375 PolarHBondContact O-ND2 3.2Å; F371-I391 HydrophobicContact CE1-CD1 3.96Å; F371-I391 HydrophobicContact CZ-CD1 4.26Å
372L84.4Confident80.7Confident16 Ų1664 Ų648%0.08436%0.355CS..Hα-helixtrans-64.4-47.6-176.1-63.4175.5000111.6G368 M369 N375 G376 A377 V379 I386 W440G368-L372 PolarHBondContact O-N 3.17Å; M369-L372 PolarHBondContact O-N 3.46Å; M369-L372 HydrophobicContact SD-CD1 3.86Å; L372-N375 PolarHBondContact O-N 2.9Å; L372-G376 PolarHBondContact O-N 3.05Å; L372-G376 VanDerWaalsContact O-N 3.14Å; L372-A377 HydrophobicContact CB-CB 4.1Å; L372-A377 HydrophobicContact CD2-CB 3.64Å; L372-A377 HydrophobicContact CG-CB 4.49Å; L372-A377 WeakPolarHBondContact O-CB 3.26Å; L372-A377 PolarHBondContact O-N 3.1Å; L372-V379 HydrophobicContact CD1-CG2 4.03Å; L372-V379 HydrophobicContact CD2-CG2 4.41Å; L372-I386 HydrophobicContact CD2-CD1 3.88Å; L372-W440 HydrophobicContact CD2-CH2 4.48Å
373V81Confident80.7Confident108 Ų10863.7 Ų63.766%0.65534%0.341SS*.Hα-helixtrans-64.7-44.1179.31730000111M369 N375 G376M369-V373 HydrophobicContact CE-CG2 4.39Å; M369-V373 WeakPolarHBondContact O-CB 3.17Å; M369-V373 VanDerWaalsContact O-CG2 3.25Å; M369-V373 WeakPolarHBondContact O-CG2 3.25Å; M369-V373 PolarHBondContact O-N 3.06Å; V373-N375 PolarHBondContact O-N 3.27Å; V373-G376 PolarHBondContact O-N 3.5Å
374K83.2Confident80.8Confident151 Ų15164.8 Ų64.866%0.65735%0.347SS*.Hα-helixtrans-61.7-33.3-179.3-174.1178.8-178.9-1750112.7F353 D370 F371F353-K374 HydrophobicContact CE2-CD 4.05Å; D370-K374 WeakPolarHBondContact O-CB 3.26Å; D370-K374 PolarHBondContact O-N 3.5Å; F371-K374 PolarHBondContact O-N 2.89Å
375N82.1Confident80.8Confident24 Ų2462 Ų6213%0.12833%0.332CS..THydrogen-bonded Turntrans-101.49.8-177-63.7-64.1000113.6L349 F371 L372 V373 A377 S388 C390 I391L349-N375 HydrophobicContact CD2-CB 4.37Å; L349-N375 WeakPolarHBondContact CD2-OD1 3.28Å; F371-N375 WeakPolarHBondContact CE2-ND2 3.36Å; F371-N375 PolarHBondContact O-N 3.32Å; F371-N375 PolarHBondContact O-ND2 3.2Å; L372-N375 PolarHBondContact O-N 2.9Å; V373-N375 PolarHBondContact O-N 3.27Å; N375-A377 PolarHBondContact O-N 3.18Å; N375-S388 VanDerWaalsContact O-CB 3.27Å; N375-S388 WeakPolarHBondContact O-CB 3.2Å; N375-S388 PolarHBondContact O-OG 3.25Å; N375-S388 VanDerWaalsContact O-OG 3.13Å; N375-C390 PolarHBondContact O-SG 2.99Å; N375-I391 HydrophobicContact CB-CD1 4.01Å
376G81.1Confident80.9Confident53 Ų5361.8 Ų61.855%0.54633%0.331SS..THydrogen-bonded Turntrans56.335.2-178.400000112.9L372 V373 S388L372-G376 PolarHBondContact O-N 3.05Å; L372-G376 VanDerWaalsContact O-N 3.14Å; V373-G376 PolarHBondContact O-N 3.5Å; G376-S388 WeakPolarHBondContact O-CB 3.4Å
377A82Confident80.8Confident19 Ų1960.8 Ų60.816%0.15733%0.328CS..  trans-76.1124.4-175.200000110.9L372 N375 I386 I391L372-A377 HydrophobicContact CB-CB 4.1Å; L372-A377 HydrophobicContact CD2-CB 3.64Å; L372-A377 HydrophobicContact CG-CB 4.49Å; L372-A377 WeakPolarHBondContact O-CB 3.26Å; L372-A377 PolarHBondContact O-N 3.1Å; N375-A377 PolarHBondContact O-N 3.18Å; A377-I386 HydrophobicContact CB-CG2 3.79Å; A377-I391 HydrophobicContact CB-CD1 4.07Å
378N81.5Confident80.9Confident103 Ų10360.5 Ų60.555%0.55133%0.328SS*.EExtended strand (participates in β ladder)trans-95.9126.7170.4-174.123.8000109.5I386 S387N378-I386 WeakPolarHBondContact O-CA 3.46Å; N378-S387 PolarHBondContact N-O 2.96Å; N378-S387 PolarHBondContact O-N 3.46Å
379V82.6Confident80.8Confident56 Ų5667 Ų6734%0.33937%0.37SS..EExtended strand (participates in β ladder)trans-98.2111.2178175.70000108L372 L381 I386 F396L372-V379 HydrophobicContact CD1-CG2 4.03Å; L372-V379 HydrophobicContact CD2-CG2 4.41Å; V379-L381 HydrophobicContact CG1-CD2 3.71Å; V379-L381 HydrophobicContact CG1-CG 4.18Å; V379-I386 HydrophobicContact CG2-CD1 4.22Å; V379-I386 HydrophobicContact CG2-CG1 3.89Å; V379-F396 HydrophobicContact CG1-CE2 4.12Å; V379-F396 HydrophobicContact CG1-CZ 3.85Å
380D77.3Confident80.7Confident47 Ų4765.4 Ų65.425%0.25137%0.367SS..EExtended strand (participates in β ladder)trans-93.6116.6171.2-170.2-19.1000108.1Q382 K383 P384 C385D380-Q382 WeakPolarHBondContact OD1-CA 3.38Å; D380-Q382 WeakPolarHBondContact OD1-CB 3.22Å; D380-Q382 PolarHBondContact OD1-N 3.35Å; D380-K383 CarbonylContact C-O 3.59Å; D380-K383 HydrophobicContact CB-CB 4.38Å; D380-K383 WeakPolarHBondContact CB-O 3.29Å; D380-K383 CarbonylContact O-C 3.56Å; D380-K383 PolarHBondContact OD1-N 3.42Å; D380-P384 WeakPolarHBondContact O-CA 3.11Å; D380-C385 PolarHBondContact N-O 2.85Å; D380-C385 PolarHBondContact O-N 2.91Å; D380-C385 VanDerWaalsContact O-N 3.11Å
381L76.6Confident80.7Confident126 Ų12663 Ų6366%0.6635%0.354SS*.THydrogen-bonded Turntrans-89.7-18.6177.3-62.2178.5000112V379 F396V379-L381 HydrophobicContact CG1-CD2 3.71Å; V379-L381 HydrophobicContact CG1-CG 4.18Å; L381-F396 HydrophobicContact CD2-CE2 4.39Å
382Q73.4Confident80.6Confident186 Ų18663.6 Ų63.687%0.86936%0.361SS*.THydrogen-bonded Turntrans-79.4-41.1174.6-64.9-174.3-2.700110.6D380D380-Q382 WeakPolarHBondContact OD1-CA 3.38Å; D380-Q382 WeakPolarHBondContact OD1-CB 3.22Å; D380-Q382 PolarHBondContact OD1-N 3.35Å
383K74.8Confident80.5Confident146 Ų14668.3 Ų68.364%0.63539%0.385SS*.THydrogen-bonded Turntrans-107.394.4166.9-61.7175.1-176.5172.40106.1D380 C385D380-K383 CarbonylContact C-O 3.59Å; D380-K383 HydrophobicContact CB-CB 4.38Å; D380-K383 WeakPolarHBondContact CB-O 3.29Å; D380-K383 CarbonylContact O-C 3.56Å; D380-K383 PolarHBondContact OD1-N 3.42Å; K383-C385 VanDerWaalsContact C-N 3.26Å; K383-C385 WeakPolarHBondContact O-CB 3.49Å; K383-C385 PolarHBondContact O-N 3.46Å; K383-C385 PolarHBondContact O-SG 3.13Å
384P76.9Confident80.4Confident40 Ų4063.3 Ų63.326%0.2635%0.354SS..THydrogen-bonded Turntrans-59.687.8-16726.8-36.5000110.3D380 N395 F396D380-P384 WeakPolarHBondContact O-CA 3.11Å; P384-N395 CarbonylContact O-C 3.59Å; P384-N395 WeakPolarHBondContact O-CA 3.42Å; P384-F396 HydrophobicContact CB-CB 4.11Å; P384-F396 HydrophobicContact CB-CD2 3.63Å; P384-F396 HydrophobicContact CB-CG 4.28Å; P384-F396 PolarHBondContact O-N 2.86Å
385C78.6Confident80.1Confident10 Ų1059.4 Ų59.47%0.06834%0.341CS..EExtended strand (participates in β ladder)trans-160.9160.2-170.782.40000111.4D380 K383 I393 V394 N395D380-C385 PolarHBondContact N-O 2.85Å; D380-C385 PolarHBondContact O-N 2.91Å; D380-C385 VanDerWaalsContact O-N 3.11Å; K383-C385 VanDerWaalsContact C-N 3.26Å; K383-C385 WeakPolarHBondContact O-CB 3.49Å; K383-C385 PolarHBondContact O-N 3.46Å; K383-C385 PolarHBondContact O-SG 3.13Å; C385-I393 HydrophobicContact CB-CG2 4.22Å; C385-V394 CarbonylContact C-O 3.57Å; C385-V394 WeakPolarHBondContact CA-O 3.46Å; C385-V394 WeakPolarHBondContact CB-O 3.39Å; C385-N395 HydrophobicContact CB-CB 4.46Å; C385-N395 VanDerWaalsContact CB-OD1 3.27Å; C385-N395 WeakPolarHBondContact CB-OD1 3.47Å
386I82.4Confident79.5Confident1 Ų159.1 Ų59.11%0.00534%0.339CS..EExtended strand (participates in β ladder)trans-113.9134.4168.5-74.1168.4000108.9L372 A377 N378 V379 I391 I393 V394 F396 W440L372-I386 HydrophobicContact CD2-CD1 3.88Å; A377-I386 HydrophobicContact CB-CG2 3.79Å; N378-I386 WeakPolarHBondContact O-CA 3.46Å; V379-I386 HydrophobicContact CG2-CD1 4.22Å; V379-I386 HydrophobicContact CG2-CG1 3.89Å; I386-I391 HydrophobicContact CG2-CD1 4.3Å; I386-I393 CarbonylContact O-C 3.53Å; I386-I393 WeakPolarHBondContact O-CA 3.26Å; I386-V394 PolarHBondContact N-O 3.35Å; I386-V394 PolarHBondContact O-N 3.01Å; I386-F396 HydrophobicContact CD1-CE1 3.49Å; I386-F396 VanDerWaalsContact CD1-CE1 3.49Å; I386-F396 HydrophobicContact CD1-CZ 3.89Å; I386-F396 HydrophobicContact CG1-CE1 3.54Å; I386-F396 HydrophobicContact CG1-CZ 3.63Å; I386-W440 HydrophobicContact CD1-CD2 4.37Å; I386-W440 HydrophobicContact CD1-CE3 3.55Å; I386-W440 HydrophobicContact CD1-CH2 3.18Å; I386-W440 HydrophobicContact CD1-CZ2 4.03Å; I386-W440 HydrophobicContact CD1-CZ3 2.91Å; I386-W440 HydrophobicContact CG1-CZ3 4.38Å
387S83Confident78.7Confident35 Ų3561.3 Ų61.325%0.24533%0.333CS..EExtended strand (participates in β ladder)trans-124.7134.817659.10000111N378 G392N378-S387 PolarHBondContact N-O 2.96Å; N378-S387 PolarHBondContact O-N 3.46Å; S387-G392 VanDerWaalsContact CA-O 3.25Å; S387-G392 WeakPolarHBondContact CA-O 3.32Å
388S84.5Confident77.2Confident13 Ų1365.6 Ų65.69%0.09135%0.35CS..EExtended strand (participates in β ladder)trans-153159.7163.695.70000110.4N375 G376 C390 I391 G392N375-S388 VanDerWaalsContact O-CB 3.27Å; N375-S388 WeakPolarHBondContact O-CB 3.2Å; N375-S388 PolarHBondContact O-OG 3.25Å; N375-S388 VanDerWaalsContact O-OG 3.13Å; G376-S388 WeakPolarHBondContact O-CB 3.4Å; S388-C390 PolarHBondContact O-N 2.9Å; S388-C390 PolarHBondContact OG-N 3.49Å; S388-C390 PolarHBondContact OG-SG 2.91Å; S388-I391 PolarHBondContact O-N 2.96Å; S388-I391 WeakPolarHBondContact OG-CB 3.37Å; S388-I391 WeakPolarHBondContact OG-CG1 3.36Å; S388-I391 PolarHBondContact OG-N 3.43Å; S388-G392 PolarHBondContact N-O 3.37Å; S388-G392 WeakPolarHBondContact O-CA 3.33Å; S388-G392 PolarHBondContact O-N 3.47Å
389P81.1Confident75.5Confident135 Ų13566 Ų6688%0.87736%0.358SS*.THydrogen-bonded Turntrans-55.8-34.2175.7-26.235.2000113.4
390C80.6Confident73.7Confident51 Ų5170.5 Ų70.535%0.34538%0.38SS..THydrogen-bonded Turntrans-91.1-27.5-17957.60000113.9K348 L349 N375 S388K348-C390 CarbonylContact C-O 3.57Å; L349-C390 HydrophobicContact CD1-CB 4.18Å; L349-C390 PolarHBondContact N-O 3.29Å; N375-C390 PolarHBondContact O-SG 2.99Å; S388-C390 PolarHBondContact O-N 2.9Å; S388-C390 PolarHBondContact OG-N 3.49Å; S388-C390 PolarHBondContact OG-SG 2.91Å
391I83.1Confident71.9Confident0 Ų072.8 Ų72.80%039%0.392CS..THydrogen-bonded Turntrans-86.6-29.3179.2-67.5168.6000111.4V346 G347 K348 L349 F371 N375 A377 I386 S388 V394V346-I391 HydrophobicContact CB-CG2 4.44Å; V346-I391 HydrophobicContact CG1-CG2 3.86Å; G347-I391 WeakPolarHBondContact CA-O 3.34Å; K348-I391 PolarHBondContact N-O 3.46Å; L349-I391 HydrophobicContact CB-CG1 3.95Å; L349-I391 HydrophobicContact CD2-CG1 3.98Å; F371-I391 HydrophobicContact CE1-CD1 3.96Å; F371-I391 HydrophobicContact CZ-CD1 4.26Å; N375-I391 HydrophobicContact CB-CD1 4.01Å; A377-I391 HydrophobicContact CB-CD1 4.07Å; I386-I391 HydrophobicContact CG2-CD1 4.3Å; S388-I391 PolarHBondContact O-N 2.96Å; S388-I391 WeakPolarHBondContact OG-CB 3.37Å; S388-I391 WeakPolarHBondContact OG-CG1 3.36Å; S388-I391 PolarHBondContact OG-N 3.43Å; I391-V394 HydrophobicContact CG2-CG2 3.69Å
392G82.9Confident70.2Confident15 Ų1576.1 Ų76.116%0.15540%0.404CS..EExtended strand (participates in β ladder)trans75.4-152.6-160.900000110.5S387 S388S387-G392 VanDerWaalsContact CA-O 3.25Å; S387-G392 WeakPolarHBondContact CA-O 3.32Å; S388-G392 PolarHBondContact N-O 3.37Å; S388-G392 WeakPolarHBondContact O-CA 3.33Å; S388-G392 PolarHBondContact O-N 3.47Å
393I82.3Confident68.5Low116 Ų11675 Ų7560%0.59540%0.404SS*.EExtended strand (participates in β ladder)trans-109.5122.9176.5-57.7173.2000107.8C385 I386C385-I393 HydrophobicContact CB-CG2 4.22Å; I386-I393 CarbonylContact O-C 3.53Å; I386-I393 WeakPolarHBondContact O-CA 3.26Å
394V79Confident66.7Low2 Ų271.7 Ų71.71%0.01239%0.391CS..EExtended strand (participates in β ladder)trans-123116.2178.3178.10000108.1V346 G347 C385 I386 I391V346-V394 HydrophobicContact CG1-CG2 4.29Å; G347-V394 VanDerWaalsContact CA-CG2 3.45Å; C385-V394 CarbonylContact C-O 3.57Å; C385-V394 WeakPolarHBondContact CA-O 3.46Å; C385-V394 WeakPolarHBondContact CB-O 3.39Å; I386-V394 PolarHBondContact N-O 3.35Å; I386-V394 PolarHBondContact O-N 3.01Å; I391-V394 HydrophobicContact CG2-CG2 3.69Å
395N76.1Confident65.1Low69 Ų6973 Ų7337%0.36940%0.401SS..EExtended strand (participates in β ladder)trans-78.1140.6179-61.3-39.7000110.8P384 C385P384-N395 CarbonylContact O-C 3.59Å; P384-N395 WeakPolarHBondContact O-CA 3.42Å; C385-N395 HydrophobicContact CB-CB 4.46Å; C385-N395 VanDerWaalsContact CB-OD1 3.27Å; C385-N395 WeakPolarHBondContact CB-OD1 3.47Å
396F70.1Confident63.7Low19 Ų1979 Ų798%0.08343%0.426CS..  trans-64.4143.7167.6-54.9-38000109.5V379 L381 P384 I386 Q398 W440V379-F396 HydrophobicContact CG1-CE2 4.12Å; V379-F396 HydrophobicContact CG1-CZ 3.85Å; L381-F396 HydrophobicContact CD2-CE2 4.39Å; P384-F396 HydrophobicContact CB-CB 4.11Å; P384-F396 HydrophobicContact CB-CD2 3.63Å; P384-F396 HydrophobicContact CB-CG 4.28Å; P384-F396 PolarHBondContact O-N 2.86Å; I386-F396 HydrophobicContact CD1-CE1 3.49Å; I386-F396 VanDerWaalsContact CD1-CE1 3.49Å; I386-F396 HydrophobicContact CD1-CZ 3.89Å; I386-F396 HydrophobicContact CG1-CE1 3.54Å; I386-F396 HydrophobicContact CG1-CZ 3.63Å; F396-Q398 PolarHBondContact O-N 2.87Å; F396-W440 HydrophobicContact CD1-CB 3.77Å; F396-W440 HydrophobicContact CD1-CD2 4.11Å; F396-W440 HydrophobicContact CD1-CE3 4.13Å; F396-W440 HydrophobicContact CD1-CG 4.01Å; F396-W440 HydrophobicContact CE1-CB 4.4Å; F396-W440 HydrophobicContact CE1-CD2 4.04Å; F396-W440 AromaticContact CE1-CE3 3.62Å; F396-W440 HydrophobicContact CE1-CE3 3.62Å; F396-W440 HydrophobicContact CE1-CG 4.41Å; F396-W440 HydrophobicContact CE1-CZ3 4.31Å; F396-W440 HydrophobicContact CG-CB 4.45Å
397K63.2Low62Low99 Ų9982.1 Ų82.143%0.4345%0.448SS..  trans-61.4114.7175.1-80.6-167.2168.7-1730109.5L409 E437K397-L409 HydrophobicContact CD-CD2 4.34Å; K397-L409 HydrophobicContact CG-CD2 4.45Å; K397-E437 WeakPolarHBondContact CE-OE1 3.35Å; K397-E437 IonicContact NZ-OE1 3.79Å; K397-E437 PolarHBondContact NZ-OE1 2.75Å; K397-E437 IonicContact NZ-OE2 2.74Å; K397-E437 PolarHBondContact NZ-OE2 3.22Å
398Q51.4Low60.3Low108 Ų10881.8 Ų81.851%0.50544%0.443SS..  trans-81128.1158.5-71.5-177.6-33.700107.4F396 D400 L401F396-Q398 PolarHBondContact O-N 2.87Å; Q398-D400 PolarHBondContact O-N 3.22Å; Q398-L401 HydrophobicContact CB-CD1 4.44Å; Q398-L401 PolarHBondContact O-N 2.93Å
399P45.9Very low58.9Low113 Ų11382.2 Ų82.273%0.73445%0.445SS*.THydrogen-bonded Turntrans-58.5-13.2-176.820.2-30.9000114.2
400D44.1Very low57.6Low150 Ų15075.9 Ų75.980%0.80240%0.403SS*.THydrogen-bonded Turntrans-98.5-1.1-172.2-57.7-34.5000115.1Q398Q398-D400 PolarHBondContact O-N 3.22Å
401L39.9Very low56.7Low94 Ų9475 Ų7549%0.49239%0.393SS..  trans-112.591.8-178.4-87.5144.4000111.7Q398 L403 M404Q398-L401 HydrophobicContact CB-CD1 4.44Å; Q398-L401 PolarHBondContact O-N 2.93Å; L401-L403 PolarHBondContact O-N 2.7Å; L401-L403 VanDerWaalsContact O-N 3.1Å; L401-M404 HydrophobicContact CB-CE 4.31Å; L401-M404 HydrophobicContact CD2-CE 4.35Å
402Q40.2Very low55.3Low197 Ų19775 Ų7592%0.92139%0.393SS*.SBendtrans-69.43-178.7-77.2-176.4-6.700115.7
403L37.5Very low54.2Low163 Ų16376 Ų7685%0.85339%0.394SS*.  trans-139.580.7-177.6-144.381.1000111.1L401L401-L403 PolarHBondContact O-N 2.7Å; L401-L403 VanDerWaalsContact O-N 3.1Å
404M37.7Very low52.5Low75 Ų7571.7 Ų71.737%0.36937%0.374SS..  trans-103.1134.8170.7-74.5-82.8113.700109.4L401 N408L401-M404 HydrophobicContact CB-CE 4.31Å; L401-M404 HydrophobicContact CD2-CE 4.35Å; M404-N408 HydrophobicContact SD-CB 4.32Å; M404-N408 PolarHBondContact SD-ND2 3.33Å
405S43.3Very low51.2Low68 Ų6876.6 Ų76.648%0.47640%0.396SS..  trans-62.5147.3173.353.10000110.9S407 N408S405-S407 PolarHBondContact O-N 3.44Å; S405-S407 PolarHBondContact OG-OG 3.09Å; S405-N408 PolarHBondContact O-N 3.24Å
406K48.5Very low49.4Very low136 Ų13676.2 Ų76.259%0.59140%0.398SS*.G310 helixtrans-48.8-25.7177.5-78.9-166.6175.9-165.80113.4N408 L409 D432K406-N408 PolarHBondContact O-N 3.16Å; K406-L409 PolarHBondContact O-N 3.4Å; K406-D432 IonicContact NZ-OD1 3.97Å
407S47Very low47.7Very low66 Ų6677.6 Ų77.646%0.46241%0.414SS..G310 helixtrans-62.6-17.6176.863.20000115.3S405S405-S407 PolarHBondContact O-N 3.44Å; S405-S407 PolarHBondContact OG-OG 3.09Å
408N48.3Very low46.1Very low28 Ų2879.8 Ų79.815%0.1543%0.429CS..G310 helixtrans-102.615.1-175.5-64.9-7.7000112.8M404 S405 K406M404-N408 HydrophobicContact SD-CB 4.32Å; M404-N408 PolarHBondContact SD-ND2 3.33Å; S405-N408 PolarHBondContact O-N 3.24Å; K406-N408 PolarHBondContact O-N 3.16Å
409L54.7Low45Very low23 Ų2381.4 Ų81.412%0.1244%0.441CS..  trans-120149.2-173.5-65.6168.2000111K397 K406 Y411 E437K397-L409 HydrophobicContact CD-CD2 4.34Å; K397-L409 HydrophobicContact CG-CD2 4.45Å; K406-L409 PolarHBondContact O-N 3.4Å; L409-Y411 HydrophobicContact CB-CD2 4.26Å; L409-Y411 HydrophobicContact CB-CE1 4.5Å; L409-Y411 HydrophobicContact CB-CE2 3.43Å; L409-Y411 VanDerWaalsContact CB-CE2 3.43Å; L409-Y411 WeakPolarHBondContact CD1-OH 3.43Å; L409-E437 HydrophobicContact CD2-CG 4.43Å
410C54.7Low44.1Very low1 Ų182 Ų821%0.00744%0.444CS..EExtended strand (participates in β ladder)trans-105128.7175.9174.10000109.3S345 V346 V438 W440S345-C410 CarbonylContact O-C 3.59Å; S345-C410 VanDerWaalsContact O-CA 3.31Å; S345-C410 WeakPolarHBondContact O-CA 3.28Å; V346-C410 HydrophobicContact CG2-CB 4.35Å; C410-V438 HydrophobicContact CB-CB 4.11Å; C410-V438 PolarHBondContact O-N 3.19Å; C410-W440 HydrophobicContact CB-CZ2 4.35Å; C410-W440 VanDerWaalsContact CB-NE1 3.27Å
411Y62Low43.5Very low33 Ų3382.4 Ų82.413%0.12944%0.441CS..EExtended strand (participates in β ladder)trans-126.3139.9-177.2-61.9-79000111.8V344 S345 L409 E435 F436V344-Y411 CarbonylContact C-O 3.47Å; V344-Y411 WeakPolarHBondContact CA-O 3.45Å; S345-Y411 PolarHBondContact N-O 2.95Å; S345-Y411 PolarHBondContact O-N 3.5Å; L409-Y411 HydrophobicContact CB-CD2 4.26Å; L409-Y411 HydrophobicContact CB-CE1 4.5Å; L409-Y411 HydrophobicContact CB-CE2 3.43Å; L409-Y411 VanDerWaalsContact CB-CE2 3.43Å; L409-Y411 WeakPolarHBondContact CD1-OH 3.43Å; Y411-E435 HydrophobicContact CD1-CB 3.8Å; Y411-E435 HydrophobicContact CE1-CB 4.28Å; Y411-F436 WeakPolarHBondContact CA-O 3.37Å
412V52.9Low42.9Very low1 Ų188.7 Ų88.71%0.00646%0.46CS..EExtended strand (participates in β ladder)trans-100.4120.1163.5-177.70000107.8L342 V344 F355 A365 F436 V438L342-V412 HydrophobicContact CB-CG1 3.86Å; L342-V412 HydrophobicContact CD1-CG1 3.6Å; L342-V412 HydrophobicContact CG-CG1 4.38Å; V344-V412 HydrophobicContact CG2-CG2 4.47Å; F355-V412 HydrophobicContact CZ-CG2 4.28Å; A365-V412 HydrophobicContact CB-CG2 4.24Å; V412-F436 PolarHBondContact N-O 3.18Å; V412-F436 PolarHBondContact O-N 3.49Å; V412-V438 HydrophobicContact CG2-CG2 3.66Å
413H60.6Low42.5Very low36 Ų3688.3 Ų88.317%0.16746%0.458CS..EExtended strand (participates in β ladder)trans-92.3143.9-178.8-61.2-85.9000111.4R343 S345 H415 E435R343-H413 HydrophobicContact CB-CB 4.32Å; R343-H413 PolarHBondContact O-N 3.11Å; S345-H413 VanDerWaalsContact CB-NE2 3.25Å; S345-H413 WeakPolarHBondContact CB-NE2 3.46Å; S345-H413 PolarHBondContact OG-CD2 3.26Å; S345-H413 PolarHBondContact OG-NE2 3.23Å; H413-H415 PolarHBondContact O-N 2.8Å; H413-E435 IonicContact CE1-OE1 2.71Å; H413-E435 PolarHBondContact CE1-OE1 3.02Å; H413-E435 VanDerWaalsContact CE1-OE1 3.32Å; H413-E435 IonicContact ND1-OE1 3.61Å
414S46.1Very low41.9Very low24 Ų2488 Ų8817%0.16846%0.458CS..SBendtrans-61.7-22.4172.758.20000113.5K314K314-S414 WeakPolarHBondContact CE-O 3.43Å; K314-S414 PolarHBondContact NZ-O 2.94Å
415H50.7Low41.7Very low105 Ų10590.1 Ų90.149%0.48648%0.479SS..  trans-94.8126.8-172.4-58.6-55.6000112.9R343 H413 A417 D431R343-H415 VanDerWaalsContact CB-O 3.27Å; R343-H415 WeakPolarHBondContact CB-O 3.42Å; H413-H415 PolarHBondContact O-N 2.8Å; H415-A417 PolarHBondContact O-N 3.18Å; H415-D431 IonicContact CD2-OD2 3.24Å; H415-D431 IonicContact CE1-OD2 3.79Å; H415-D431 IonicContact NE2-OD2 2.76Å; H415-D431 PolarHBondContact NE2-OD2 2.75Å
416C39.7Very low40.9Very low61 Ų6196.5 Ų96.541%0.41250%0.502SS..  trans-91.189.7174.2-157.90000108.3L418C416-L418 PolarHBondContact O-N 3.04Å
417A33.7Very low40.1Very low49 Ų4995.2 Ų95.241%0.40551%0.51SS..  trans-78.476.9178.400000110.4H415H415-A417 PolarHBondContact O-N 3.18Å
418L29.3Very low39.2Very low144 Ų14498.1 Ų98.175%0.75453%0.525SS*.  trans-81.5115.4148.8-76165.9000106C416C416-L418 PolarHBondContact O-N 3.04Å
419L28.8Very low38.4Very low143 Ų143105.5 Ų105.575%0.74956%0.558SS**  trans153.7109.8148.5-80.8172.6000108.4H421L419-H421 PolarHBondContact O-N 2.83Å
420P26.6Very low37.1Very low125 Ų125110.9 Ų110.981%0.81259%0.587SS**  trans-85.695161.732.1-22.5000107.3
421H31.6Very low36.1Very low159 Ų159116 Ų11674%0.73661%0.614SS**  trans-125.6116.7161.2-81.7-72.1000108.7L419 E423L419-H421 PolarHBondContact O-N 2.83Å; H421-E423 PolarHBondContact O-N 3.18Å
422Y27.5Very low34.9Very low225 Ų225119.8 Ų119.888%0.88264%0.637SS**  trans-46.9126.3158.1-93.5-105.8000108.7
423E30.6Very low34.1Very low189 Ų189122.3 Ų122.388%0.88366%0.663SS**  trans-171.5124.7134.5-102.9166.7-158.800108.8H421 S425H421-E423 PolarHBondContact O-N 3.18Å; E423-S425 PolarHBondContact O-N 3.16Å
424D26.3Very low33.6Very low158 Ų158124.7 Ų124.785%0.84568%0.675SS**  trans-52.5124.7172.7-60.9-62000110.4
425S32.6Very low33.7Very low118 Ų118127.1 Ų127.183%0.82568%0.684SS**  trans-171.2117.3151.1-80.40000110.2E423 S427E423-S425 PolarHBondContact O-N 3.16Å; S425-S427 PolarHBondContact O-N 3.23Å
426E27.4Very low33.7Very low202 Ų202124.6 Ų124.694%0.94467%0.672SS**  trans-55.9117.5169-63.2173.2134.200110.8
427S30.8Very low34.3Very low109 Ų109125 Ų12576%0.76267%0.668SS**  trans-155.6106.7148.463.90000110.5S425 Q429S425-S427 PolarHBondContact O-N 3.23Å; S427-Q429 PolarHBondContact O-N 3.32Å
428V29Very low35.2Very low128 Ų128122.9 Ų122.978%0.77665%0.65SS**  trans-59.2116.4166.3174.80000109.3
429Q30.3Very low35.9Very low182 Ų182118.2 Ų118.285%0.8563%0.628SS**  trans-133.6110.6150.2-82.1-174.9-21.600107.9S427 D431S427-Q429 PolarHBondContact O-N 3.32Å; Q429-D431 PolarHBondContact O-N 3.23Å
430N28.1Very low36.7Very low137 Ų137113.7 Ų113.773%0.73360%0.601SS**  trans-64.3101.5173.5-66.3-29.8000108.6D432N430-D432 PolarHBondContact O-N 3.39Å
431D33.5Very low37.2Very low108 Ų108115.8 Ų115.858%0.57860%0.598SS**  trans-98.862173.2-161.726.8000109H415 Q429 G433H415-D431 IonicContact CD2-OD2 3.24Å; H415-D431 IonicContact CE1-OD2 3.79Å; H415-D431 IonicContact NE2-OD2 2.76Å; H415-D431 PolarHBondContact NE2-OD2 2.75Å; Q429-D431 PolarHBondContact O-N 3.23Å; D431-G433 PolarHBondContact O-N 3.48Å
432D36.3Very low37Very low112 Ų112110 Ų11060%0.59958%0.581SS**THydrogen-bonded Turntrans-6819.3174.4-74.7-52.3000112.2K406 N430K406-D432 IonicContact NZ-OD1 3.97Å; N430-D432 PolarHBondContact O-N 3.39Å
433G37.2Very low36.9Very low55 Ų55105.5 Ų105.557%0.56757%0.572SS**THydrogen-bonded Turntrans-85.2-21.8-16200000117.1D431D431-G433 PolarHBondContact O-N 3.48Å
434M49Very low36.6Very low85 Ų85101 Ų10142%0.41957%0.567SS.*  trans-159.170.9177.4-79.1-151.1-178.800113A311 L312 F436A311-M434 WeakPolarHBondContact O-CE 3.43Å; A311-M434 VanDerWaalsContact O-SD 3.36Å; L312-M434 HydrophobicContact CD2-CB 4.25Å; L312-M434 HydrophobicContact CD2-SD 3.88Å; M434-F436 HydrophobicContact CB-CE2 4.34Å; M434-F436 HydrophobicContact SD-CE2 4.27Å
435E49.1Very low36.6Very low76 Ų76103.1 Ų103.136%0.35559%0.586SS.*EExtended strand (participates in β ladder)trans-98.9119.8166.1-62.4-171149.200109.5Y411 H413Y411-E435 HydrophobicContact CD1-CB 3.8Å; Y411-E435 HydrophobicContact CE1-CB 4.28Å; H413-E435 IonicContact CE1-OE1 2.71Å; H413-E435 PolarHBondContact CE1-OE1 3.02Å; H413-E435 VanDerWaalsContact CE1-OE1 3.32Å; H413-E435 IonicContact ND1-OE1 3.61Å
436F50Low36.8Very low51 Ų51102.4 Ų102.422%0.22457%0.574CS.*EExtended strand (participates in β ladder)trans-98.1120.5173.5-70-89.9000109.6V308 A311 L312 Y411 V412 M434V308-F436 HydrophobicContact CG1-CD2 4.13Å; V308-F436 HydrophobicContact CG1-CE2 4.49Å; V308-F436 HydrophobicContact CG1-CG 4.15Å; A311-F436 HydrophobicContact CB-CE1 4.27Å; A311-F436 HydrophobicContact CB-CE2 4.5Å; A311-F436 HydrophobicContact CB-CZ 3.67Å; L312-F436 HydrophobicContact CD2-CD2 4.04Å; L312-F436 HydrophobicContact CD2-CE2 3.62Å; L312-F436 HydrophobicContact CG-CD2 4.38Å; L312-F436 HydrophobicContact CG-CE2 3.96Å; Y411-F436 WeakPolarHBondContact CA-O 3.37Å; V412-F436 PolarHBondContact N-O 3.18Å; V412-F436 PolarHBondContact O-N 3.49Å; M434-F436 HydrophobicContact CB-CE2 4.34Å; M434-F436 HydrophobicContact SD-CE2 4.27Å
437E52.4Low37.3Very low69 Ų6997.1 Ų97.132%0.32256%0.555SS.*EExtended strand (participates in β ladder)trans-72.5131.3176.1-159.7-161125.400110.2K397 L409 P439K397-E437 WeakPolarHBondContact CE-OE1 3.35Å; K397-E437 IonicContact NZ-OE1 3.79Å; K397-E437 PolarHBondContact NZ-OE1 2.75Å; K397-E437 IonicContact NZ-OE2 2.74Å; K397-E437 PolarHBondContact NZ-OE2 3.22Å; L409-E437 HydrophobicContact CD2-CG 4.43Å; E437-P439 VanDerWaalsContact O-CD 3.28Å; E437-P439 WeakPolarHBondContact O-CD 3.26Å
438V52.5Low37.7Very low6 Ų696.4 Ų96.44%0.03654%0.543CS..  trans-95.8106.9174.5-173.90000108.7A365 C410 V412 W440A365-V438 HydrophobicContact CB-CG1 4.01Å; A365-V438 HydrophobicContact CB-CG2 3.84Å; A365-V438 WeakPolarHBondContact O-CG1 3.4Å; C410-V438 HydrophobicContact CB-CB 4.11Å; C410-V438 PolarHBondContact O-N 3.19Å; V412-V438 HydrophobicContact CG2-CG2 3.66Å; V438-W440 PolarHBondContact O-N 3Å
439P44.6Very low38.2Very low45 Ų4594.6 Ų94.629%0.29253%0.529SS..  trans-68.6124179.125.3-31.3000110.6A363 E437 F441A363-P439 HydrophobicContact CB-CG 4.49Å; E437-P439 VanDerWaalsContact O-CD 3.28Å; E437-P439 WeakPolarHBondContact O-CD 3.26Å; P439-F441 HydrophobicContact CB-CD2 4.22Å; P439-F441 HydrophobicContact CB-CE2 3.77Å; P439-F441 HydrophobicContact CB-CZ 4.46Å; P439-F441 HydrophobicContact CG-CE2 3.95Å; P439-F441 PolarHBondContact O-N 3.04Å
440W45.7Very low38.7Very low49 Ų4989.1 Ų89.119%0.18651%0.509CS..  trans-84.2105.7169.5-66.182.2000108.8V346 L367 L372 I386 F396 C410 V438V346-W440 HydrophobicContact CG1-CZ2 4Å; L367-W440 HydrophobicContact CB-CH2 4.47Å; L367-W440 HydrophobicContact CD1-CH2 3.92Å; L367-W440 HydrophobicContact CD1-CZ2 3.83Å; L372-W440 HydrophobicContact CD2-CH2 4.48Å; I386-W440 HydrophobicContact CD1-CD2 4.37Å; I386-W440 HydrophobicContact CD1-CE3 3.55Å; I386-W440 HydrophobicContact CD1-CH2 3.18Å; I386-W440 HydrophobicContact CD1-CZ2 4.03Å; I386-W440 HydrophobicContact CD1-CZ3 2.91Å; I386-W440 HydrophobicContact CG1-CZ3 4.38Å; F396-W440 HydrophobicContact CD1-CB 3.77Å; F396-W440 HydrophobicContact CD1-CD2 4.11Å; F396-W440 HydrophobicContact CD1-CE3 4.13Å; F396-W440 HydrophobicContact CD1-CG 4.01Å; F396-W440 HydrophobicContact CE1-CB 4.4Å; F396-W440 HydrophobicContact CE1-CD2 4.04Å; F396-W440 AromaticContact CE1-CE3 3.62Å; F396-W440 HydrophobicContact CE1-CE3 3.62Å; F396-W440 HydrophobicContact CE1-CG 4.41Å; F396-W440 HydrophobicContact CE1-CZ3 4.31Å; F396-W440 HydrophobicContact CG-CB 4.45Å; C410-W440 HydrophobicContact CB-CZ2 4.35Å; C410-W440 VanDerWaalsContact CB-NE1 3.27Å; V438-W440 PolarHBondContact O-N 3Å
441F35.9Very low39.4Very low169 Ų16985.9 Ų85.974%0.74149%0.494SS*.  trans-89.5105.8169-74.4-82.2000108.9P439P439-F441 HydrophobicContact CB-CD2 4.22Å; P439-F441 HydrophobicContact CB-CE2 3.77Å; P439-F441 HydrophobicContact CB-CZ 4.46Å; P439-F441 HydrophobicContact CG-CE2 3.95Å; P439-F441 PolarHBondContact O-N 3.04Å
442G27.4Very low39.8Very low37 Ų3784.4 Ų84.438%0.38149%0.488SS..  trans-12972.8168.900000108.9
443N25.8Very low40.1Very low131 Ų13182.2 Ų82.270%0.70148%0.48SS*.  trans-103.9104.3169-100.8-3.6000108.6
444A25.1Very low40.3Very low93 Ų9384.5 Ų84.577%0.76947%0.473SS*.  trans-84.8105.9162.800000108.2
445T26.5Very low39.5Very low203 Ų20384.5 Ų84.5100%1.24548%0.478SS*.  trans-122.80156.151.70000109.2

Retrieved 445 of 445 residues in 333.3 ms (Link to these results)

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