A0A087Y7B9_POEFO Loading...

Krueppel-like factor 7

AlphaFold DB , UniProt , Accession A0A087Y7B9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 293 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
1M46.5Very low46.7Very low120 Ų12083.3 Ų83.359%0.59146%0.456SS*.  0-31.20-68.9-55.2-160.700114.1V3 L4 A5 F10 E40M1-V3 PolarHBondContact O-N 3.34Å; M1-L4 PolarHBondContact O-N 3.03Å; M1-L4 HydrophobicContact SD-CD1 4.41Å; M1-A5 PolarHBondContact O-N 3.45Å; M1-F10 HydrophobicContact CB-CE2 4.24Å; M1-F10 HydrophobicContact CG-CE2 4.35Å; M1-F10 HydrophobicContact SD-CD2 4.43Å; M1-F10 HydrophobicContact SD-CE2 3.71Å; M1-E40 WeakPolarHBondContact CA-OE1 3.4Å; M1-E40 PolarHBondContact N-OE1 3.38Å; M1-E40 PolarHBondContact N-OE2 3.08Å
2D41.6Very low46.7Very low141 Ų14187.9 Ų87.975%0.75447%0.472SS*.Hα-helixtrans-69.6-26.6-176.7-64.1-44.1000114.9N6D2-N6 PolarHBondContact O-N 3.47Å
3V45.9Very low46.9Very low46 Ų4684.6 Ų84.628%0.27945%0.454SS..Hα-helixtrans-74.6-40.2178.1179.60000110.8M1 N6 H7M1-V3 PolarHBondContact O-N 3.34Å; V3-N6 PolarHBondContact O-N 3.15Å; V3-H7 PolarHBondContact O-CD2 3.25Å; V3-H7 VanDerWaalsContact O-CD2 3.25Å
4L42.3Very low47.2Very low8 Ų883.8 Ų83.84%0.04245%0.446CS..Hα-helixtrans-68.8-32.7178-67.9172.6000112.9M1 H7 I9 F10 L13 E40 L43M1-L4 PolarHBondContact O-N 3.03Å; M1-L4 HydrophobicContact SD-CD1 4.41Å; L4-H7 PolarHBondContact O-N 2.91Å; L4-I9 HydrophobicContact CD2-CG2 4.41Å; L4-I9 PolarHBondContact O-N 3.05Å; L4-F10 HydrophobicContact CB-CD2 4.25Å; L4-F10 PolarHBondContact O-N 3.29Å; L4-L13 HydrophobicContact CD1-CD1 4.4Å; L4-E40 HydrophobicContact CD1-CG 3.66Å; L4-E40 VanDerWaalsContact CD1-OE1 3.3Å; L4-E40 WeakPolarHBondContact CD1-OE1 3.44Å; L4-E40 HydrophobicContact CD2-CG 4.44Å; L4-E40 HydrophobicContact CG-CG 3.76Å; L4-E40 WeakPolarHBondContact CG-OE1 3.48Å; L4-L43 HydrophobicContact CD2-CD1 4.12Å
5A45.9Very low47.4Very low51 Ų5185.5 Ų85.542%0.42145%0.454SS..Hα-helixtrans-64.7-40.9175.200000112.3M1 H7 G8 F10M1-A5 PolarHBondContact O-N 3.45Å; A5-H7 VanDerWaalsContact C-N 3.26Å; A5-H7 PolarHBondContact O-N 3.28Å; A5-G8 PolarHBondContact O-N 3.42Å; A5-F10 HydrophobicContact CB-CB 4.39Å; A5-F10 HydrophobicContact CB-CG 4.44Å
6N44.4Very low47.7Very low146 Ų14684.3 Ų84.378%0.78145%0.451SS*.Hα-helixtrans-67.6-21.5178.4-86.7-21.1000114.2D2 V3D2-N6 PolarHBondContact O-N 3.47Å; V3-N6 PolarHBondContact O-N 3.15Å
7H46.9Very low48Very low82 Ų8284.1 Ų84.138%0.3845%0.447SS..THydrogen-bonded Turntrans-99.14.6-179.6-73.7-70.1000114.1V3 L4 A5 I9V3-H7 PolarHBondContact O-CD2 3.25Å; V3-H7 VanDerWaalsContact O-CD2 3.25Å; L4-H7 PolarHBondContact O-N 2.91Å; A5-H7 VanDerWaalsContact C-N 3.26Å; A5-H7 PolarHBondContact O-N 3.28Å; H7-I9 HydrophobicContact CB-CD1 3.92Å; H7-I9 HydrophobicContact CB-CG1 4.1Å; H7-I9 PolarHBondContact O-N 3.07Å; H7-I9 VanDerWaalsContact O-N 3.13Å
8G51.1Low48.3Very low46 Ų4685.4 Ų85.447%0.47445%0.454SS..THydrogen-bonded Turntrans69.72.9179.200000115A5 F10A5-G8 PolarHBondContact O-N 3.42Å; G8-F10 VanDerWaalsContact C-N 3.27Å
9I52.6Low48.7Very low54 Ų5486.2 Ų86.228%0.27746%0.462SS..Hα-helixtrans-73.8-25.4178.1-57.8171000110.2L4 H7 Q11 E12 L13L4-I9 HydrophobicContact CD2-CG2 4.41Å; L4-I9 PolarHBondContact O-N 3.05Å; H7-I9 HydrophobicContact CB-CD1 3.92Å; H7-I9 HydrophobicContact CB-CG1 4.1Å; H7-I9 PolarHBondContact O-N 3.07Å; H7-I9 VanDerWaalsContact O-N 3.13Å; I9-Q11 PolarHBondContact O-N 3.29Å; I9-E12 PolarHBondContact O-N 3.15Å; I9-L13 HydrophobicContact CG2-CD1 3.71Å; I9-L13 HydrophobicContact CG2-CG 4.22Å; I9-L13 WeakPolarHBondContact O-CG 3.38Å; I9-L13 PolarHBondContact O-N 3.29Å
10F46.6Very low48.8Very low68 Ų6884.1 Ų84.130%0.29846%0.462SS..Hα-helixtrans-63.2-34.5-179.9-159.4-92.6000113.6M1 L4 A5 G8 L13 Q14M1-F10 HydrophobicContact CB-CE2 4.24Å; M1-F10 HydrophobicContact CG-CE2 4.35Å; M1-F10 HydrophobicContact SD-CD2 4.43Å; M1-F10 HydrophobicContact SD-CE2 3.71Å; L4-F10 HydrophobicContact CB-CD2 4.25Å; L4-F10 PolarHBondContact O-N 3.29Å; A5-F10 HydrophobicContact CB-CB 4.39Å; A5-F10 HydrophobicContact CB-CG 4.44Å; G8-F10 VanDerWaalsContact C-N 3.27Å; F10-L13 PolarHBondContact O-N 3.15Å; F10-Q14 WeakPolarHBondContact O-CB 3.48Å; F10-Q14 PolarHBondContact O-N 3.21Å
11Q50Low48.7Very low154 Ų15487.8 Ų87.872%0.7247%0.47SS*.Hα-helixtrans-68.9-36.7179.7-84.6-178.8-5.400113I9 L15I9-Q11 PolarHBondContact O-N 3.29Å; Q11-L15 PolarHBondContact O-N 2.84Å
12E46.9Very low48.6Very low139 Ų13983.2 Ų83.265%0.6545%0.447SS*.Hα-helixtrans-73.5-38177.1-68.7-72.1150.100111.4I9 V16I9-E12 PolarHBondContact O-N 3.15Å; E12-V16 WeakPolarHBondContact O-CG2 3.46Å; E12-V16 PolarHBondContact O-N 3.01Å
13L49Very low48.9Very low45 Ų4581.9 Ų81.924%0.23645%0.449CS..Hα-helixtrans-67.9-38.4175.1-68.4167.5000112.1L4 I9 F10 V16 H17 W32L4-L13 HydrophobicContact CD1-CD1 4.4Å; I9-L13 HydrophobicContact CG2-CD1 3.71Å; I9-L13 HydrophobicContact CG2-CG 4.22Å; I9-L13 WeakPolarHBondContact O-CG 3.38Å; I9-L13 PolarHBondContact O-N 3.29Å; F10-L13 PolarHBondContact O-N 3.15Å; L13-V16 PolarHBondContact O-N 3.17Å; L13-H17 PolarHBondContact O-N 3.47Å; L13-W32 HydrophobicContact CB-CZ2 4.17Å; L13-W32 HydrophobicContact CD2-CH2 3.14Å; L13-W32 HydrophobicContact CD2-CZ2 3.24Å; L13-W32 HydrophobicContact CD2-CZ3 4.25Å; L13-W32 HydrophobicContact CG-CH2 4.49Å; L13-W32 HydrophobicContact CG-CZ2 4.27Å
14Q51.6Low49Very low73 Ų7383.7 Ų83.734%0.34147%0.469SS..Hα-helixtrans-66.2-39.3176.9-16670.732.400111.7F10 V16 H17 D18F10-Q14 WeakPolarHBondContact O-CB 3.48Å; F10-Q14 PolarHBondContact O-N 3.21Å; Q14-V16 VanDerWaalsContact C-N 3.29Å; Q14-V16 PolarHBondContact O-N 3.19Å; Q14-H17 PolarHBondContact O-N 2.82Å; Q14-D18 PolarHBondContact NE2-OD1 3.4Å; Q14-D18 WeakPolarHBondContact O-CB 3.44Å; Q14-D18 PolarHBondContact O-N 3.15Å
15L50.1Low48.8Very low109 Ų10987.3 Ų87.357%0.57149%0.486SS*.Hα-helixtrans-59.6-38.4172.9-102148.7000112.4Q11 T19Q11-L15 PolarHBondContact O-N 2.84Å; L15-T19 WeakPolarHBondContact O-CG2 3.26Å; L15-T19 PolarHBondContact O-N 3.48Å
16V51.2Low49Very low66 Ų6689.9 Ų89.940%0.450%0.499SS..Hα-helixtrans-71.7-39.9177.3175.80000111.3E12 L13 Q14 T19 F22E12-V16 WeakPolarHBondContact O-CG2 3.46Å; E12-V16 PolarHBondContact O-N 3.01Å; L13-V16 PolarHBondContact O-N 3.17Å; Q14-V16 VanDerWaalsContact C-N 3.29Å; Q14-V16 PolarHBondContact O-N 3.19Å; V16-T19 PolarHBondContact O-OG1 2.84Å; V16-F22 HydrophobicContact CG1-CE2 4.14Å
17H53.8Low49.2Very low82 Ų8286.9 Ų86.938%0.3849%0.489SS..Hα-helixtrans-64.7-44.4174.7179.6-87.7000112.3L13 Q14 T19 G20L13-H17 PolarHBondContact O-N 3.47Å; Q14-H17 PolarHBondContact O-N 2.82Å; H17-T19 VanDerWaalsContact C-N 3.29Å; H17-T19 PolarHBondContact O-N 2.77Å; H17-G20 PolarHBondContact O-N 2.9Å
18D52.4Low49.1Very low108 Ų10886 Ų8658%0.57849%0.487SS*.Hα-helixtrans-77.3-10.6-174.1-65.3-11.7000113.7Q14 G20Q14-D18 PolarHBondContact NE2-OD1 3.4Å; Q14-D18 WeakPolarHBondContact O-CB 3.44Å; Q14-D18 PolarHBondContact O-N 3.15Å; D18-G20 PolarHBondContact O-N 3.39Å
19T55.4Low49.1Very low99 Ų9985.5 Ų85.561%0.60747%0.472SS*.THydrogen-bonded Turntrans-75.32.7172.556.80000114L15 V16 H17 Y21L15-T19 WeakPolarHBondContact O-CG2 3.26Å; L15-T19 PolarHBondContact O-N 3.48Å; V16-T19 PolarHBondContact O-OG1 2.84Å; H17-T19 VanDerWaalsContact C-N 3.29Å; H17-T19 PolarHBondContact O-N 2.77Å; T19-Y21 PolarHBondContact O-N 3.2Å
20G51.2Low49.2Very low45 Ų4589.9 Ų89.946%0.46449%0.491SS..THydrogen-bonded Turntrans70.910.8173.500000114.4H17 D18 F22 S23H17-G20 PolarHBondContact O-N 2.9Å; D18-G20 PolarHBondContact O-N 3.39Å; G20-F22 PolarHBondContact O-N 3Å; G20-S23 WeakPolarHBondContact O-CB 3.37Å; G20-S23 PolarHBondContact O-N 3.23Å
21Y46.1Very low49.6Very low161 Ų16192 Ų9263%0.63151%0.506SS*.G310 helixtrans-63.8-28.3-177.6-160.5-97.2000112.8T19T19-Y21 PolarHBondContact O-N 3.2Å
22F46.3Very low49.8Very low25 Ų2587.7 Ų87.711%0.1148%0.483CS..G310 helixtrans-86.9-14.2-179.1-70.1-85.6000114.4V16 G20 A24 M25 L28 E29 W32V16-F22 HydrophobicContact CG1-CE2 4.14Å; G20-F22 PolarHBondContact O-N 3Å; F22-A24 PolarHBondContact O-N 3.09Å; F22-M25 PolarHBondContact O-N 3.31Å; F22-L28 HydrophobicContact CD1-CB 3.89Å; F22-L28 HydrophobicContact CD1-CD2 4.47Å; F22-L28 HydrophobicContact CE1-CB 3.93Å; F22-L28 HydrophobicContact CE1-CD2 4.02Å; F22-L28 HydrophobicContact CE1-CG 4.44Å; F22-E29 VanDerWaalsContact CB-OE2 3.3Å; F22-E29 WeakPolarHBondContact CB-OE2 3.41Å; F22-E29 HydrophobicContact CD1-CB 4.36Å; F22-E29 WeakPolarHBondContact CG-OE2 3.29Å; F22-W32 HydrophobicContact CE1-CB 3.98Å; F22-W32 HydrophobicContact CE1-CG 4.34Å; F22-W32 HydrophobicContact CZ-CB 4.24Å; F22-W32 HydrophobicContact CZ-CD2 4.11Å; F22-W32 HydrophobicContact CZ-CE3 4.24Å; F22-W32 HydrophobicContact CZ-CG 4.14Å
23S47.5Very low50.5Low113 Ų11385.9 Ų85.979%0.7948%0.475SS*.G310 helixtrans-60.9-18.3177.4168.30000113.5G20G20-S23 WeakPolarHBondContact O-CB 3.37Å; G20-S23 PolarHBondContact O-N 3.23Å
24A47.2Very low51Low84 Ų8489.6 Ų89.669%0.69449%0.491SS*.G310 helixtrans-97.1-9.9-177.900000114.1F22F22-A24 PolarHBondContact O-N 3.09Å
25M38.3Very low51.3Low83 Ų8389.3 Ų89.341%0.40949%0.494SS..  trans-149.791.1-174.1-68.7-164.2-75.700112.2F22 S27 L28F22-M25 PolarHBondContact O-N 3.31Å; M25-S27 PolarHBondContact O-N 3.28Å; M25-L28 HydrophobicContact CB-CB 4.15Å; M25-L28 HydrophobicContact CB-CD1 4.37Å; M25-L28 HydrophobicContact CE-CD1 3.98Å; M25-L28 HydrophobicContact CE-CD2 4.24Å; M25-L28 WeakPolarHBondContact O-CB 3.36Å; M25-L28 PolarHBondContact O-N 3.5Å; M25-L28 HydrophobicContact SD-CD1 4.18Å
26P49.3Very low51.9Low106 Ų10684.7 Ų84.769%0.68847%0.471SS*.Hα-helixtrans-60.5-29.2-178.2-22.932.6000114.4L28 E29 E30P26-L28 VanDerWaalsContact C-N 3.26Å; P26-L28 PolarHBondContact O-N 3.26Å; P26-E29 PolarHBondContact O-N 3.29Å; P26-E30 PolarHBondContact O-N 2.87Å
27S49.2Very low52.6Low82 Ų8286.5 Ų86.557%0.57348%0.478SS*.Hα-helixtrans-69.5-21.9176.353.90000113.6M25 N31M25-S27 PolarHBondContact O-N 3.28Å; S27-N31 PolarHBondContact O-N 3.37Å
28L45.4Very low53.1Low63 Ų6389.2 Ų89.233%0.3349%0.491SS..Hα-helixtrans-79.3-29.2175.3-116.989.9000111.8F22 M25 P26 W32F22-L28 HydrophobicContact CD1-CB 3.89Å; F22-L28 HydrophobicContact CD1-CD2 4.47Å; F22-L28 HydrophobicContact CE1-CB 3.93Å; F22-L28 HydrophobicContact CE1-CD2 4.02Å; F22-L28 HydrophobicContact CE1-CG 4.44Å; M25-L28 HydrophobicContact CB-CB 4.15Å; M25-L28 HydrophobicContact CB-CD1 4.37Å; M25-L28 HydrophobicContact CE-CD1 3.98Å; M25-L28 HydrophobicContact CE-CD2 4.24Å; M25-L28 WeakPolarHBondContact O-CB 3.36Å; M25-L28 PolarHBondContact O-N 3.5Å; M25-L28 HydrophobicContact SD-CD1 4.18Å; P26-L28 VanDerWaalsContact C-N 3.26Å; P26-L28 PolarHBondContact O-N 3.26Å; L28-W32 VanDerWaalsContact O-CB 3.27Å; L28-W32 WeakPolarHBondContact O-CB 3.31Å; L28-W32 PolarHBondContact O-N 2.87Å
29E50.3Low53.2Low36 Ų3688.2 Ų88.217%0.16849%0.485CS..Hα-helixtrans-71.9-42.1179.8-175.559.3-143.100111.6F22 P26 W32 Q33F22-E29 VanDerWaalsContact CB-OE2 3.3Å; F22-E29 WeakPolarHBondContact CB-OE2 3.41Å; F22-E29 HydrophobicContact CD1-CB 4.36Å; F22-E29 WeakPolarHBondContact CG-OE2 3.29Å; P26-E29 PolarHBondContact O-N 3.29Å; E29-W32 WeakPolarHBondContact O-CB 3.42Å; E29-W32 PolarHBondContact O-N 3.22Å; E29-Q33 WeakPolarHBondContact O-CG 3.48Å; E29-Q33 PolarHBondContact O-N 3.31Å; E29-Q33 PolarHBondContact OE1-NE2 3.35Å
30E54.5Low53.6Low146 Ų14684.4 Ų84.468%0.68246%0.46SS*.Hα-helixtrans-65.3-40.5173.3-76.1177.5166.500111.5P26 W32 Q33 Q34P26-E30 PolarHBondContact O-N 2.87Å; E30-W32 VanDerWaalsContact C-N 3.27Å; E30-W32 PolarHBondContact O-N 3.23Å; E30-Q33 PolarHBondContact O-N 2.89Å; E30-Q34 VanDerWaalsContact O-CB 3.3Å; E30-Q34 WeakPolarHBondContact O-CB 3.31Å; E30-Q34 PolarHBondContact O-N 2.94Å
31N54.8Low54.3Low113 Ų11391.3 Ų91.360%0.60447%0.472SS*.Hα-helixtrans-62.4-37174-114.919000111.8S27 T35S27-N31 PolarHBondContact O-N 3.37Å; N31-T35 VanDerWaalsContact O-CB 3.31Å; N31-T35 WeakPolarHBondContact O-CB 3.42Å; N31-T35 PolarHBondContact O-N 3.29Å; N31-T35 PolarHBondContact O-OG1 3.44Å
32W54.5Low54.8Low64 Ų6489 Ų8924%0.24246%0.463CS..Hα-helixtrans-66.8-49.1177.7175.3-110.7000112.4L13 F22 L28 E29 E30 Q34 T35 C36L13-W32 HydrophobicContact CB-CZ2 4.17Å; L13-W32 HydrophobicContact CD2-CH2 3.14Å; L13-W32 HydrophobicContact CD2-CZ2 3.24Å; L13-W32 HydrophobicContact CD2-CZ3 4.25Å; L13-W32 HydrophobicContact CG-CH2 4.49Å; L13-W32 HydrophobicContact CG-CZ2 4.27Å; F22-W32 HydrophobicContact CE1-CB 3.98Å; F22-W32 HydrophobicContact CE1-CG 4.34Å; F22-W32 HydrophobicContact CZ-CB 4.24Å; F22-W32 HydrophobicContact CZ-CD2 4.11Å; F22-W32 HydrophobicContact CZ-CE3 4.24Å; F22-W32 HydrophobicContact CZ-CG 4.14Å; L28-W32 VanDerWaalsContact O-CB 3.27Å; L28-W32 WeakPolarHBondContact O-CB 3.31Å; L28-W32 PolarHBondContact O-N 2.87Å; E29-W32 WeakPolarHBondContact O-CB 3.42Å; E29-W32 PolarHBondContact O-N 3.22Å; E30-W32 VanDerWaalsContact C-N 3.27Å; E30-W32 PolarHBondContact O-N 3.23Å; W32-Q34 VanDerWaalsContact C-N 3.29Å; W32-Q34 PolarHBondContact O-N 3.3Å; W32-T35 PolarHBondContact O-N 3.24Å; W32-C36 PolarHBondContact O-N 3.17Å; W32-C36 PolarHBondContact O-SG 3.14Å
33Q62Low55.1Low100 Ų10089 Ų8947%0.46746%0.464SS..Hα-helixtrans-62.8-39.6178.4-69.3175.56.400111.1E29 E30 C36 L37E29-Q33 WeakPolarHBondContact O-CG 3.48Å; E29-Q33 PolarHBondContact O-N 3.31Å; E29-Q33 PolarHBondContact OE1-NE2 3.35Å; E30-Q33 PolarHBondContact O-N 2.89Å; Q33-C36 PolarHBondContact O-N 2.81Å; Q33-L37 WeakPolarHBondContact O-CG 3.48Å; Q33-L37 PolarHBondContact O-N 3.1Å
34Q59.9Low55.7Low123 Ų12389.5 Ų89.558%0.57545%0.454SS*.Hα-helixtrans-65.4-43.1175.6-157.372.9-11.300112.1E30 W32 C36 L37 E38E30-Q34 VanDerWaalsContact O-CB 3.3Å; E30-Q34 WeakPolarHBondContact O-CB 3.31Å; E30-Q34 PolarHBondContact O-N 2.94Å; W32-Q34 VanDerWaalsContact C-N 3.29Å; W32-Q34 PolarHBondContact O-N 3.3Å; Q34-C36 VanDerWaalsContact C-N 3.31Å; Q34-C36 PolarHBondContact O-N 3.44Å; Q34-L37 PolarHBondContact O-N 3.29Å; Q34-E38 WeakPolarHBondContact O-CB 3.41Å; Q34-E38 PolarHBondContact O-N 3.13Å
35T58.6Low56.1Low68 Ų6890.2 Ų90.242%0.41745%0.45SS..Hα-helixtrans-62.6-39.6176-56.60000111.3N31 W32 E38 L39N31-T35 VanDerWaalsContact O-CB 3.31Å; N31-T35 WeakPolarHBondContact O-CB 3.42Å; N31-T35 PolarHBondContact O-N 3.29Å; N31-T35 PolarHBondContact O-OG1 3.44Å; W32-T35 PolarHBondContact O-N 3.24Å; T35-E38 PolarHBondContact O-N 2.92Å; T35-L39 HydrophobicContact CG2-CD1 4.07Å; T35-L39 WeakPolarHBondContact O-CB 3.43Å; T35-L39 WeakPolarHBondContact O-CD1 3.17Å; T35-L39 WeakPolarHBondContact O-CG 3.44Å; T35-L39 PolarHBondContact O-N 3.41Å
36C61.4Low56.7Low11 Ų1190.9 Ų90.97%0.07445%0.452CS..Hα-helixtrans-66.3-42.5176.8-68.80000111.9W32 Q33 Q34 E38 L39 E40W32-C36 PolarHBondContact O-N 3.17Å; W32-C36 PolarHBondContact O-SG 3.14Å; Q33-C36 PolarHBondContact O-N 2.81Å; Q34-C36 VanDerWaalsContact C-N 3.31Å; Q34-C36 PolarHBondContact O-N 3.44Å; C36-E38 VanDerWaalsContact C-N 3.35Å; C36-L39 PolarHBondContact O-N 2.86Å; C36-E40 WeakPolarHBondContact O-CG 3.49Å; C36-E40 PolarHBondContact O-N 3.22Å
37L65.9Low56.7Low104 Ų10490.2 Ų90.255%0.54545%0.448SS..Hα-helixtrans-65-38.5176.3-76.1166.4000112.3Q33 Q34 E40 R41Q33-L37 WeakPolarHBondContact O-CG 3.48Å; Q33-L37 PolarHBondContact O-N 3.1Å; Q34-L37 PolarHBondContact O-N 3.29Å; L37-E40 PolarHBondContact O-N 2.87Å; L37-R41 WeakPolarHBondContact O-CB 3.49Å; L37-R41 PolarHBondContact O-N 2.8Å
38E64.2Low56.4Low140 Ų14094.4 Ų94.465%0.65446%0.456SS*.Hα-helixtrans-69.5-38.9177.5-163.7162.8-159.900111.8Q34 T35 C36 R41 Y42Q34-E38 WeakPolarHBondContact O-CB 3.41Å; Q34-E38 PolarHBondContact O-N 3.13Å; T35-E38 PolarHBondContact O-N 2.92Å; C36-E38 VanDerWaalsContact C-N 3.35Å; E38-R41 PolarHBondContact O-N 3.19Å; E38-Y42 WeakPolarHBondContact O-CB 3.1Å; E38-Y42 PolarHBondContact O-N 3.22Å
39L54.5Low56.2Low87 Ų8797.5 Ų97.546%0.45546%0.463SS..Hα-helixtrans-61.4-47.6169.5-84.5160.1000111.8T35 C36 R41 Y42 L43T35-L39 HydrophobicContact CG2-CD1 4.07Å; T35-L39 WeakPolarHBondContact O-CB 3.43Å; T35-L39 WeakPolarHBondContact O-CD1 3.17Å; T35-L39 WeakPolarHBondContact O-CG 3.44Å; T35-L39 PolarHBondContact O-N 3.41Å; C36-L39 PolarHBondContact O-N 2.86Å; L39-R41 VanDerWaalsContact C-N 3.31Å; L39-R41 PolarHBondContact O-N 2.95Å; L39-Y42 WeakPolarHBondContact O-CB 3.44Å; L39-Y42 PolarHBondContact O-N 3.24Å; L39-L43 WeakPolarHBondContact O-CB 3.37Å; L39-L43 VanDerWaalsContact O-CG 3.23Å; L39-L43 WeakPolarHBondContact O-CG 3.41Å; L39-L43 PolarHBondContact O-N 3.23Å
40E64.4Low55.7Low19 Ų1996.8 Ų96.89%0.08946%0.46CS..Hα-helixtrans-60.8-41.7178-75.8-166.115200112.1M1 L4 C36 L37 L43 Q44M1-E40 WeakPolarHBondContact CA-OE1 3.4Å; M1-E40 PolarHBondContact N-OE1 3.38Å; M1-E40 PolarHBondContact N-OE2 3.08Å; L4-E40 HydrophobicContact CD1-CG 3.66Å; L4-E40 VanDerWaalsContact CD1-OE1 3.3Å; L4-E40 WeakPolarHBondContact CD1-OE1 3.44Å; L4-E40 HydrophobicContact CD2-CG 4.44Å; L4-E40 HydrophobicContact CG-CG 3.76Å; L4-E40 WeakPolarHBondContact CG-OE1 3.48Å; C36-E40 WeakPolarHBondContact O-CG 3.49Å; C36-E40 PolarHBondContact O-N 3.22Å; L37-E40 PolarHBondContact O-N 2.87Å; E40-L43 PolarHBondContact O-N 2.98Å; E40-Q44 VanDerWaalsContact O-CG 3.25Å; E40-Q44 WeakPolarHBondContact O-CG 3.45Å; E40-Q44 PolarHBondContact O-N 3.47Å
41R65.9Low54.9Low189 Ų18993.3 Ų93.371%0.71345%0.452SS*.Hα-helixtrans-63.5-41.8175.8-175.9176.6167.8163-3.2111.7L37 E38 L39 Q44 T45L37-R41 WeakPolarHBondContact O-CB 3.49Å; L37-R41 PolarHBondContact O-N 2.8Å; E38-R41 PolarHBondContact O-N 3.19Å; L39-R41 VanDerWaalsContact C-N 3.31Å; L39-R41 PolarHBondContact O-N 2.95Å; R41-Q44 PolarHBondContact O-N 3.41Å; R41-T45 PolarHBondContact O-N 2.92Å; R41-T45 PolarHBondContact O-OG1 3.43Å
42Y56.2Low54.1Low112 Ų11293.5 Ų93.544%0.43945%0.449SS..Hα-helixtrans-63.2-43.1176.4-173.7-100.4000112.1E38 L39 Q44 T45 E46 R49E38-Y42 WeakPolarHBondContact O-CB 3.1Å; E38-Y42 PolarHBondContact O-N 3.22Å; L39-Y42 WeakPolarHBondContact O-CB 3.44Å; L39-Y42 PolarHBondContact O-N 3.24Å; Y42-Q44 VanDerWaalsContact C-N 3.33Å; Y42-Q44 PolarHBondContact O-N 3.37Å; Y42-T45 PolarHBondContact O-N 3.43Å; Y42-T45 PolarHBondContact O-OG1 3.36Å; Y42-E46 PolarHBondContact O-N 2.87Å; Y42-R49 PolarHBondContact OH-NH1 3.45Å
43L53Low53.4Low26 Ų2694.6 Ų94.614%0.13646%0.459CS..Hα-helixtrans-68.7-29.9178.8-66.6179.8000113.1L4 L39 E40 L50L4-L43 HydrophobicContact CD2-CD1 4.12Å; L39-L43 WeakPolarHBondContact O-CB 3.37Å; L39-L43 VanDerWaalsContact O-CG 3.23Å; L39-L43 WeakPolarHBondContact O-CG 3.41Å; L39-L43 PolarHBondContact O-N 3.23Å; E40-L43 PolarHBondContact O-N 2.98Å; L43-L50 HydrophobicContact CB-CD1 4.18Å; L43-L50 HydrophobicContact CD1-CD1 4.03Å; L43-L50 HydrophobicContact CD2-CD1 3.3Å; L43-L50 HydrophobicContact CD2-CD2 4.09Å; L43-L50 HydrophobicContact CD2-CG 3.6Å; L43-L50 HydrophobicContact CG-CD1 3.99Å
44Q59.7Low52.2Low124 Ų12496 Ų9658%0.57946%0.464SS*.Hα-helixtrans-72.4-29.6174.2-73.2169.52400112.8E40 R41 Y42E40-Q44 VanDerWaalsContact O-CG 3.25Å; E40-Q44 WeakPolarHBondContact O-CG 3.45Å; E40-Q44 PolarHBondContact O-N 3.47Å; R41-Q44 PolarHBondContact O-N 3.41Å; Y42-Q44 VanDerWaalsContact C-N 3.33Å; Y42-Q44 PolarHBondContact O-N 3.37Å
45T55.6Low51.1Low98 Ų9895.9 Ų95.960%0.60147%0.467SS*.Hα-helixtrans-80.9-25.1-179.846.40000114.2R41 Y42R41-T45 PolarHBondContact O-N 2.92Å; R41-T45 PolarHBondContact O-OG1 3.43Å; Y42-T45 PolarHBondContact O-N 3.43Å; Y42-T45 PolarHBondContact O-OG1 3.36Å
46E50.7Low50.1Low97 Ų9798.9 Ų98.945%0.45348%0.477SS..  trans-137.173.7178.7-67.6-153.1171.300113.7Y42 K48 R49Y42-E46 PolarHBondContact O-N 2.87Å; E46-K48 PolarHBondContact O-N 3.32Å; E46-K48 VanDerWaalsContact O-N 3.12Å; E46-R49 HydrophobicContact CB-CB 4.49Å; E46-R49 PolarHBondContact O-N 3.35Å; E46-R49 VanDerWaalsContact OE2-CD 3.26Å; E46-R49 WeakPolarHBondContact OE2-CD 3.49Å; E46-R49 IonicContact OE2-NE 3.66Å
47P49Very low49.1Very low93 Ų93100.9 Ų100.960%0.60449%0.487SS*.Hα-helixtrans-65.8-18.8-176.624.9-33.8000114.1
48K43.4Very low48.1Very low170 Ų170100.3 Ų100.374%0.73948%0.483SS*.Hα-helixtrans-80.7-17.8-179-66.6-177.2179.4178.80113.9E46 S51E46-K48 PolarHBondContact O-N 3.32Å; E46-K48 VanDerWaalsContact O-N 3.12Å; K48-S51 PolarHBondContact O-OG 3.04Å
49R42.2Very low47Very low128 Ų12894.1 Ų94.148%0.48346%0.455SS..Hα-helixtrans-75.5-31.2179-104.5-168.3170.6-169.6-4113.2Y42 E46 E52 L53Y42-R49 PolarHBondContact OH-NH1 3.45Å; E46-R49 HydrophobicContact CB-CB 4.49Å; E46-R49 PolarHBondContact O-N 3.35Å; E46-R49 VanDerWaalsContact OE2-CD 3.26Å; E46-R49 WeakPolarHBondContact OE2-CD 3.49Å; E46-R49 IonicContact OE2-NE 3.66Å; R49-E52 PolarHBondContact O-N 3.26Å; R49-L53 HydrophobicContact CB-CD1 4.42Å; R49-L53 WeakPolarHBondContact O-CB 3.41Å; R49-L53 WeakPolarHBondContact O-CD1 3.43Å; R49-L53 PolarHBondContact O-N 2.91Å
50L39.8Very low46.3Very low21 Ų2191.8 Ų91.811%0.1145%0.452CS..Hα-helixtrans-68.3-44.1-177.4-96.5163.1000112.9L43 E52 L53 F54L43-L50 HydrophobicContact CB-CD1 4.18Å; L43-L50 HydrophobicContact CD1-CD1 4.03Å; L43-L50 HydrophobicContact CD2-CD1 3.3Å; L43-L50 HydrophobicContact CD2-CD2 4.09Å; L43-L50 HydrophobicContact CD2-CG 3.6Å; L43-L50 HydrophobicContact CG-CD1 3.99Å; L50-E52 VanDerWaalsContact C-N 3.28Å; L50-E52 PolarHBondContact O-N 2.52Å; L50-L53 PolarHBondContact O-N 3.37Å; L50-F54 HydrophobicContact CD2-CD2 4.2Å; L50-F54 HydrophobicContact CD2-CE2 3.65Å; L50-F54 WeakPolarHBondContact O-CD2 3.4Å; L50-F54 PolarHBondContact O-N 3Å
51S38.2Very low44.9Very low72 Ų7297 Ų9750%0.50348%0.479SS..Hα-helixtrans-63.5-36.2176.3480000111.8K48 F54 D55K48-S51 PolarHBondContact O-OG 3.04Å; S51-F54 PolarHBondContact O-N 3.16Å; S51-D55 PolarHBondContact O-N 2.03Å
52E36.3Very low43.3Very low118 Ų11894.2 Ų94.255%0.55148%0.478SS*.Hα-helixtrans-73.2-30.5174.4-70.7-179.1166.200112.6R49 L50 Q56R49-E52 PolarHBondContact O-N 3.26Å; L50-E52 VanDerWaalsContact C-N 3.28Å; L50-E52 PolarHBondContact O-N 2.52Å; E52-Q56 VanDerWaalsContact O-CB 3.32Å; E52-Q56 WeakPolarHBondContact O-CB 3.39Å; E52-Q56 WeakPolarHBondContact O-CG 3.4Å; E52-Q56 PolarHBondContact O-N 2.7Å
53L40.7Very low42.2Very low87 Ų8791.7 Ų91.746%0.45547%0.474SS..Hα-helixtrans-71.5-29.1172.9-104.4128000113.3R49 L50R49-L53 HydrophobicContact CB-CD1 4.42Å; R49-L53 WeakPolarHBondContact O-CB 3.41Å; R49-L53 WeakPolarHBondContact O-CD1 3.43Å; R49-L53 PolarHBondContact O-N 2.91Å; L50-L53 PolarHBondContact O-N 3.37Å
54F36.3Very low41.2Very low130 Ų13095.9 Ų95.957%0.5750%0.503SS*.Hα-helixtrans-84.1-23.8177.4-82.7-67.8000113.8L50 S51L50-F54 HydrophobicContact CD2-CD2 4.2Å; L50-F54 HydrophobicContact CD2-CE2 3.65Å; L50-F54 WeakPolarHBondContact O-CD2 3.4Å; L50-F54 PolarHBondContact O-N 3Å; S51-F54 PolarHBondContact O-N 3.16Å
55D36.8Very low39.8Very low120 Ų12095.1 Ų95.164%0.64252%0.518SS*.Hα-helixtrans-92.3-15.7173-83.5-45.5000113.3S51 D57S51-D55 PolarHBondContact O-N 2.03Å; D55-D57 PolarHBondContact O-N 2.85Å
56Q39Very low38.9Very low131 Ų13197.1 Ų97.161%0.61252%0.515SS*.SBendtrans-77.2109.6167.9-76.5174.433.800109.7E52 L58E52-Q56 VanDerWaalsContact O-CB 3.32Å; E52-Q56 WeakPolarHBondContact O-CB 3.39Å; E52-Q56 WeakPolarHBondContact O-CG 3.4Å; E52-Q56 PolarHBondContact O-N 2.7Å; Q56-L58 PolarHBondContact O-N 3.43Å
57D39.9Very low38.1Very low53 Ų5398.4 Ų98.428%0.28353%0.525SS..  trans-40.2111.5165.2-93.1-59.7000109.5D55 D59 K268 H284D55-D57 PolarHBondContact O-N 2.85Å; D57-D59 HydrophobicContact CB-CB 4.37Å; D57-D59 PolarHBondContact O-N 2.68Å; D57-K268 WeakPolarHBondContact OD2-CE 3.4Å; D57-K268 IonicContact OD2-NZ 3.4Å; D57-K268 PolarHBondContact OD2-NZ 3.32Å; D57-H284 IonicContact OD1-ND1 2.98Å
58L44.5Very low37.4Very low91 Ų91103 Ų10348%0.47654%0.535SS..G310 helixtrans-63.323.7172.9-66.4171.5000113Q56 G60 L61Q56-L58 PolarHBondContact O-N 3.43Å; L58-G60 PolarHBondContact O-N 3.3Å; L58-L61 HydrophobicContact CD2-CB 4.38Å; L58-L61 HydrophobicContact CD2-CD1 3.73Å; L58-L61 HydrophobicContact CD2-CG 4.4Å; L58-L61 PolarHBondContact O-N 3.35Å
59D39.9Very low36.9Very low11 Ų11102.2 Ų102.26%0.05953%0.534CS..G310 helixtrans-67.1-9.2171.8-82.7-33.8000113.4D57 K263 S280 R281 H284D57-D59 HydrophobicContact CB-CB 4.37Å; D57-D59 PolarHBondContact O-N 2.68Å; D59-K263 WeakPolarHBondContact O-CE 3.41Å; D59-K263 PolarHBondContact O-NZ 3.34Å; D59-S280 WeakPolarHBondContact OD2-CB 3.39Å; D59-S280 PolarHBondContact OD2-OG 3.24Å; D59-R281 WeakPolarHBondContact OD1-CD 3.42Å; D59-R281 IonicContact OD1-CZ 3.63Å; D59-R281 IonicContact OD1-NE 2.84Å; D59-R281 IonicContact OD1-NH1 2.68Å; D59-R281 PolarHBondContact OD1-NH1 2.86Å; D59-H284 IonicContact OD1-CE1 3.44Å; D59-H284 PolarHBondContact OD1-CE1 3.47Å; D59-H284 IonicContact OD1-ND1 3.14Å; D59-H284 IonicContact OD1-NE2 3.55Å
60G40.1Very low36.5Very low37 Ų37103.7 Ų103.738%0.38155%0.552SS.*G310 helixtrans-92.6-24.4170.800000115.2L58 T63L58-G60 PolarHBondContact O-N 3.3Å; G60-T63 PolarHBondContact O-OG1 3.29Å
61L36Very low36.1Very low129 Ų129105.1 Ų105.168%0.67557%0.572SS**THydrogen-bonded Turntrans-104.9-8.8-167.9-62.8-178.1000114.1L58L58-L61 HydrophobicContact CD2-CB 4.38Å; L58-L61 HydrophobicContact CD2-CD1 3.73Å; L58-L61 HydrophobicContact CD2-CG 4.4Å; L58-L61 PolarHBondContact O-N 3.35Å
62L32.5Very low36.3Very low131 Ų131111.6 Ų111.669%0.68659%0.594SS**SBendtrans-10512.8174.3-73.7169.1000114.3
63T32.5Very low36.3Very low59 Ų59113.4 Ų113.436%0.36260%0.603SS.*SBendtrans-83.7123156.533.40000107.5G60 A65G60-T63 PolarHBondContact O-OG1 3.29Å; T63-A65 PolarHBondContact O-N 3.33Å
64P33Very low36Very low114 Ų114117.4 Ų117.474%0.7462%0.624SS**  trans-49.7130.6173-22.231.2000108.8Y66P64-Y66 PolarHBondContact O-N 3.13Å
65A30Very low35.9Very low107 Ų107118.2 Ų118.288%0.88463%0.634SS**  trans-49.4104.3173.900000108.7T63T63-A65 PolarHBondContact O-N 3.33Å
66Y37.1Very low35.8Very low140 Ų140117.6 Ų117.655%0.54964%0.639SS.*  trans-100.4117168.2-133.3-85.4000105.1P64 K68 T233P64-Y66 PolarHBondContact O-N 3.13Å; Y66-K68 PolarHBondContact O-N 3.16Å; Y66-T233 PolarHBondContact OH-O 3.44Å
67L32.8Very low35.8Very low125 Ų125120.2 Ų120.265%0.65465%0.651SS**  trans-38.6131.1-175.8-67.4157000111.5E69L67-E69 VanDerWaalsContact C-N 3.31Å; L67-E69 HydrophobicContact CB-CG 3.72Å; L67-E69 PolarHBondContact O-N 3.33Å; L67-E69 VanDerWaalsContact O-N 3.17Å
68K34.7Very low35.4Very low188 Ų188121.8 Ų121.882%0.81767%0.671SS**  trans-62.4104.6146.1-91.5-178170-174.50104.7Y66Y66-K68 PolarHBondContact O-N 3.16Å
69E32.3Very low35.2Very low155 Ų155125.2 Ų125.272%0.72469%0.689SS**  trans-101.4103.1162.3-66.8-172.3146.500105.4L67 G71L67-E69 VanDerWaalsContact C-N 3.31Å; L67-E69 HydrophobicContact CB-CG 3.72Å; L67-E69 PolarHBondContact O-N 3.33Å; L67-E69 VanDerWaalsContact O-N 3.17Å; E69-G71 PolarHBondContact O-N 3.46Å
70D34.1Very low35Very low158 Ų158131.8 Ų131.885%0.84572%0.724SS**  trans-70.398.5162.6-50.2-47.8000105.1
71G31.7Very low34.9Very low52 Ų52135.8 Ų135.854%0.53674%0.743SS.*  trans-154.394.7-176.500000109.8E69 E73E69-G71 PolarHBondContact O-N 3.46Å; G71-E73 PolarHBondContact O-N 2.74Å
72E42.4Very low35.4Very low207 Ų207133.2 Ų133.297%0.96775%0.748SS**  trans-62.9111.6160.4-71.5179.4133.200107.8
73E35.8Very low36.1Very low157 Ų157134 Ų13473%0.73475%0.752SS**  trans-133.7108.8164.140.2-166.6140.500110.2G71 L75G71-E73 PolarHBondContact O-N 2.74Å; E73-L75 PolarHBondContact O-N 2.78Å; E73-L75 VanDerWaalsContact O-N 3.15Å
74D34.6Very low37Very low170 Ų170134.7 Ų134.791%0.90976%0.758SS**  trans-52105.5164.9-114.8-27.8000109.3
75L34.6Very low37.6Very low148 Ų148137.9 Ų137.978%0.77576%0.762SS**  trans-122.599.8165-81.5170.8000108.8E73 E77E73-L75 PolarHBondContact O-N 2.78Å; E73-L75 VanDerWaalsContact O-N 3.15Å; L75-E77 PolarHBondContact O-N 2.97Å
76S33.8Very low38.6Very low107 Ų107137.1 Ų137.175%0.74875%0.749SS**  trans-33.6120.6166.353.20000113.2A78S76-A78 PolarHBondContact O-N 3.26Å
77E40.1Very low39.2Very low185 Ų185133.2 Ų133.286%0.86474%0.74SS**  trans-0.785.6148.6-142.9153.114700116.4L75L75-E77 PolarHBondContact O-N 2.97Å
78A31.9Very low39.9Very low86 Ų86132.1 Ų132.171%0.71174%0.743SS**  trans-99.2101.9157.100000108.2S76 L80S76-A78 PolarHBondContact O-N 3.26Å; A78-L80 PolarHBondContact O-N 2.97Å
79L39.4Very low40.7Very low163 Ų163127.4 Ų127.485%0.85373%0.732SS**  trans-55.5104.5176.3-15078.6000110
80L35Very low41.5Very low149 Ų149121.8 Ų121.878%0.7871%0.709SS**  trans-111.6138.7169.9-84.3172.9000111.1A78A78-L80 PolarHBondContact O-N 2.97Å
81P39.6Very low42.2Very low121 Ų121119.6 Ų119.679%0.78670%0.703SS**SBendtrans-79.7132.9-172.731.7-32.3000111.8
82G45.4Very low43.1Very low75 Ų75121 Ų12177%0.77370%0.701SS**  trans72.180.4160.900000115.5
83L46.8Very low43.6Very low147 Ų147114.6 Ų114.677%0.7768%0.676SS**PPolyproline II helixtrans-61.4134161.4-90.4103.1000109.8E85L83-E85 PolarHBondContact O-N 3.35Å
84P51.5Low44.4Very low75 Ų75114 Ų11449%0.48768%0.677SS.*PPolyproline II helixtrans-67.3130.7171.527.3-31.6000109.6Y240P84-Y240 HydrophobicContact CG-CE1 3.93Å
85E46.7Very low45.2Very low180 Ų180107.8 Ų107.884%0.84165%0.647SS**PPolyproline II helixtrans-56.1140.9176.1-66.9-161.1158.900111L83L83-E85 PolarHBondContact O-N 3.35Å
86P50.2Low45.8Very low92 Ų92106.6 Ų106.660%0.59765%0.648SS**PPolyproline II helixtrans-59.2140.8178.725.1-33.1000109.9S88P86-S88 PolarHBondContact O-N 2.93Å
87P49.8Very low46Very low58 Ų58110 Ų11038%0.37765%0.654SS.*PPolyproline II helixtrans-60130.6176.925.3-32.4000109.5
88S48.3Very low46Very low102 Ų102112.1 Ų112.171%0.71365%0.654SS**PPolyproline II helixtrans-51.5136.3172.355.80000110P86P86-S88 PolarHBondContact O-N 2.93Å
89P50.8Low46.1Very low88 Ų88116.1 Ų116.157%0.57166%0.658SS**PPolyproline II helixtrans-56.1133.3-178.323-32.8000109.9Y261P89-Y261 HydrophobicContact CB-CE1 3.99Å
90P48.3Very low45.6Very low38 Ų38115.4 Ų115.425%0.24766%0.655CS.*PPolyproline II helixtrans-63.9146.4179.426.5-33.2000110V92P90-V92 PolarHBondContact O-N 3.37Å
91P48.8Very low45.6Very low112 Ų112115.8 Ų115.873%0.72766%0.657SS**PPolyproline II helixtrans-56.5130.617622.1-31.7000110.2T93P91-T93 PolarHBondContact O-N 3.08Å; P91-T93 VanDerWaalsContact O-N 3.15Å
92V52.4Low45.2Very low80 Ų80115.2 Ų115.249%0.48565%0.652SS.*  trans-73.2108.1-178-161.90000108.2P90 L94P90-V92 PolarHBondContact O-N 3.37Å; V92-L94 HydrophobicContact CG1-CD2 4.05Å; V92-L94 HydrophobicContact CG1-CG 3.8Å; V92-L94 PolarHBondContact O-N 2.75Å
93T51.7Low44.6Very low74 Ų74116.9 Ų116.945%0.45465%0.652SS.*  trans-88.695.1162.3-47.70000106.7P91 C95P91-T93 PolarHBondContact O-N 3.08Å; P91-T93 VanDerWaalsContact O-N 3.15Å; T93-C95 PolarHBondContact O-N 3.12Å
94L52.1Low43.8Very low144 Ų144116.3 Ų116.375%0.75465%0.654SS**  trans-73.3106.8171.3-73.8163.9000107.5V92V92-L94 HydrophobicContact CG1-CD2 4.05Å; V92-L94 HydrophobicContact CG1-CG 3.8Å; V92-L94 PolarHBondContact O-N 2.75Å
95C51.4Low43.1Very low40 Ų40121 Ų12127%0.2767%0.667SS.*PPolyproline II helixtrans-70.1137.2166.8-72.80000109.1T93 M97 C278T93-C95 PolarHBondContact O-N 3.12Å; C95-M97 PolarHBondContact O-N 2.87Å; C95-M97 VanDerWaalsContact O-N 3.16Å; C95-C278 HydrophobicContact CB-CB 3.86Å; C95-C278 WeakPolarHBondContact CB-SG 2.92Å; C95-C278 WeakPolarHBondContact SG-CB 3.37Å; C95-C278 CovalentContact SG-SG 2.03Å; C95-C278 PolarHBondContact SG-SG 2.79Å
96P47.6Very low42.6Very low122 Ų122118.9 Ų118.979%0.79266%0.661SS**PPolyproline II helixtrans-61.7120.9-177.920.8-28.9000110.7R98P96-R98 PolarHBondContact O-N 2.92Å
97M38.9Very low41.7Very low178 Ų178122.9 Ų122.988%0.87768%0.677SS**PPolyproline II helixtrans-59.1129.1164.8-95.6-99.3174.900108.6C95 Q99C95-M97 PolarHBondContact O-N 2.87Å; C95-M97 VanDerWaalsContact O-N 3.16Å; M97-Q99 PolarHBondContact O-N 2.98Å
98R38.9Very low40.9Very low230 Ų230129.5 Ų129.587%0.86870%0.699SS**  trans-61.1108.4165.4-99.8-172.3168-142.9-1.6107.7P96 N100P96-R98 PolarHBondContact O-N 2.92Å; R98-N100 PolarHBondContact O-N 2.91Å; R98-N100 VanDerWaalsContact O-N 3.15Å
99Q34.5Very low40.2Very low170 Ų170130.5 Ų130.579%0.79470%0.704SS**  trans-64.1113.8159.8-68.1-177.6-6.100106.5M97 L101M97-Q99 PolarHBondContact O-N 2.98Å; Q99-L101 VanDerWaalsContact C-N 3.27Å; Q99-L101 PolarHBondContact O-N 3.15Å
100N29.8Very low39.2Very low149 Ų149136.1 Ų136.180%0.79772%0.719SS**  trans-66.493.1169.5-123.7-37.3000106.5R98 T102R98-N100 PolarHBondContact O-N 2.91Å; R98-N100 VanDerWaalsContact O-N 3.15Å; N100-T102 PolarHBondContact O-N 2.88Å
101L34.3Very low38.2Very low157 Ų157137.6 Ų137.682%0.82274%0.741SS**  trans-70.187.9163.3-76.8165.2000106.2Q99 S103Q99-L101 VanDerWaalsContact C-N 3.27Å; Q99-L101 PolarHBondContact O-N 3.15Å; L101-S103 VanDerWaalsContact C-N 3.35Å; L101-S103 PolarHBondContact O-N 3.47Å
102T30.6Very low37.2Very low109 Ų109141.9 Ų141.967%0.66975%0.752SS**  trans-61.3105.3161.642.30000106.6N100 T104N100-T102 PolarHBondContact O-N 2.88Å; T102-T104 VanDerWaalsContact C-N 3.34Å; T102-T104 PolarHBondContact O-N 3.06Å
103S32.4Very low35.8Very low110 Ų110141.4 Ų141.477%0.76976%0.763SS**  trans-54.698.2168.9-177.70000108.4L101 K105L101-S103 VanDerWaalsContact C-N 3.35Å; L101-S103 PolarHBondContact O-N 3.47Å; S103-K105 PolarHBondContact O-N 2.84Å
104T31.3Very low35.4Very low134 Ų134143.2 Ų143.282%0.82278%0.776SS**  trans-82.196.616535.40000106.7T102T102-T104 VanDerWaalsContact C-N 3.34Å; T102-T104 PolarHBondContact O-N 3.06Å
105K36.8Very low34.1Very low174 Ų174144.7 Ų144.776%0.75778%0.779SS**  trans-56.1139.5160.7-93.7-177.6177.9-179.60110.3S103S103-K105 PolarHBondContact O-N 2.84Å
106D35.9Very low32.9Very low135 Ų135149.2 Ų149.272%0.72281%0.806SS**  trans6095.1146-64.5-64.6000118.1
107L30.7Very low31.9Very low177 Ų177148.1 Ų148.193%0.92780%0.801SS**  trans-149.9103138.4-90.6173.4000108.8
108K32.9Very low31.4Very low196 Ų196147.3 Ų147.385%0.85280%0.8SS**  trans-66.4153.1161.7-62.6176.483.9172.50108.6
109P34.5Very low30.8Very low124 Ų124139.4 Ų139.481%0.80579%0.791SS**  -139.2158.6109.229.7-12.7000115.8
110K28.7Very low30.6Very low205 Ų205138.5 Ų138.589%0.89180%0.797SS**  trans-16128.7169-76.1168.7167176.40119
111G27.8Very low30.5Very low69 Ų69141.1 Ų141.171%0.71180%0.804SS**  89.911495.800000118.6
112Q27.3Very low30.2Very low202 Ų202137.3 Ų137.394%0.94480%0.803SS**  trans154.3121.7130.9-88.1166-10.200109.8
113G24.4Very low30Very low71 Ų71138.7 Ų138.773%0.73281%0.811SS**  trans-81.1-162.8158.600000110.5
114P41.6Very low29.7Very low112 Ų112142.5 Ų142.573%0.72782%0.816SS**  cis-135.7-166.65.630.6-6.4000114.4
115E25.3Very low29.5Very low175 Ų175144.1 Ų144.182%0.81882%0.819SS**  trans87.2128.3157.3-31.9-161.3145.200114.3
116T26.7Very low29Very low135 Ų135139.5 Ų139.583%0.82881%0.813SS**  cis-151.8170.631.346.80000112.6
117S27.2Very low28.6Very low99 Ų99141.4 Ų141.469%0.69282%0.818SS**  trans-71.5176.2-175.646.20000117.4
118D27.7Very low28.5Very low161 Ų161141.7 Ų141.786%0.86182%0.819SS**  trans88.6116.4167-70-18000115.9
119G26.2Very low28.1Very low64 Ų64137 Ų13766%0.6681%0.811SS**  cis114.4102.320.600000108.7
120T31Very low27.7Very low151 Ų151135 Ų13593%0.92681%0.805SS**  trans-179.1126.9142.438.40000110.7
121E28.1Very low27.5Very low203 Ų203131.6 Ų131.695%0.94980%0.801SS**  trans-71.6155.8173.9-58.2176.411400111.7
122G27.2Very low27.5Very low78 Ų78134.8 Ų134.880%0.80481%0.807SS**  trans-174.374.9177.300000112.6
123V25.3Very low27.4Very low137 Ų137130 Ų13083%0.8380%0.795SS**  trans-53131.7170.6-850000113.3
124H27.5Very low27.4Very low191 Ų191134.8 Ų134.888%0.88480%0.803SS**  trans-142.9110.6139.7-125.5-86.2000109.6
125L27.4Very low26.7Very low168 Ų168135.2 Ų135.288%0.8880%0.804SS**  trans-116.5106.5178.1-158.9155.5000105.5
126A25.8Very low26.9Very low77 Ų77132.4 Ų132.464%0.63680%0.801SS**  trans-175.3136.9163.900000107.5
127Q26.3Very low26.9Very low175 Ų175131.9 Ų131.982%0.81880%0.8SS**  cis-162.5131.1-3.3-110.8177.8-31.800105.4
128L29.9Very low26.9Very low183 Ų183132.1 Ų132.196%0.95880%0.802SS**  trans-85.2113.6158.8-79.4166.3000107.6
129S25Very low26.9Very low98 Ų98129.9 Ų129.969%0.68580%0.799SS**  trans170.8143.1158.458.50000107.4
130A24.9Very low27.1Very low80 Ų80132.7 Ų132.766%0.66181%0.805SS**  cis-157.8148.93.200000108.1
131V26Very low26.9Very low134 Ų134134 Ų13481%0.81280%0.801SS**  trans-12.9124.8143.9-750000115.9
132T26Very low26.9Very low136 Ų136131.2 Ų131.283%0.83479%0.792SS**  trans-136.9105.2139.7-57.80000108.1
133S25.3Very low26.8Very low101 Ų101131.4 Ų131.471%0.70679%0.794SS**  trans-12.3118150.6-480000115.5
134L25.5Very low27Very low172 Ų172133.9 Ų133.990%0.90179%0.788SS**  trans-132.6110.4137.8-76.2176.3000108
135T27.6Very low27.1Very low122 Ų122133.4 Ų133.475%0.74879%0.786SS**  trans-50.4154.5166.638.30000112.3
136P27.5Very low27Very low116 Ų116132.1 Ų132.175%0.75378%0.779SS**  trans-77143.5-165.131.1-34.9000112.5S138P136-S138 PolarHBondContact O-N 3.3Å
137P28.6Very low27Very low123 Ų123133 Ų13380%0.79978%0.776SS**  trans-77.5113.2158.329.3-27.5000109.2
138S26.9Very low27.4Very low104 Ų104133.1 Ų133.173%0.72777%0.774SS**  trans-22.5133.9155.347.60000115.4P136P136-S138 PolarHBondContact O-N 3.3Å
139S27.3Very low27.8Very low115 Ų115130.1 Ų130.180%0.80477%0.766SS**  trans-35.1148.4163.5-52.40000114.5
140P30.8Very low28.2Very low122 Ų122130.6 Ų130.679%0.79277%0.769SS**  -128.6113.7125.823-6.1000111.2
141E27Very low29.1Very low180 Ų180133.7 Ų133.784%0.84177%0.77SS**  trans31.6106.8131.3-67.4-101.710500117.6G143E141-G143 PolarHBondContact O-N 2.96Å; E141-G143 VanDerWaalsContact O-N 3.1Å
142L27.7Very low29.6Very low143 Ų143131.6 Ų131.675%0.74976%0.758SS**  trans-40.5110.6148.4-88.4144.3000110.8R144L142-R144 HydrophobicContact CB-CG 4.5Å; L142-R144 PolarHBondContact O-N 2.75Å
143G25.3Very low29.9Very low82 Ų82130.2 Ų130.285%0.84574%0.744SS**  trans-65.27216500000111.6E141 H145E141-G143 PolarHBondContact O-N 2.96Å; E141-G143 VanDerWaalsContact O-N 3.1Å; G143-H145 PolarHBondContact O-N 2.73Å
144R29.2Very low30.7Very low190 Ų190129.1 Ų129.172%0.71773%0.734SS**  trans-81.3104.4159.1-69.5-177179.1-171.11.3106.6L142 L146L142-R144 HydrophobicContact CB-CG 4.5Å; L142-R144 PolarHBondContact O-N 2.75Å; R144-L146 HydrophobicContact CB-CD1 4.06Å; R144-L146 PolarHBondContact O-N 3.22Å
145H28.6Very low31Very low180 Ų180124.9 Ų124.983%0.83372%0.723SS**  trans-6874.8161.2-98.1-74.8000109.5G143 V147G143-H145 PolarHBondContact O-N 2.73Å; H145-V147 VanDerWaalsContact C-N 3.33Å; H145-V147 PolarHBondContact O-N 3.26Å
146L25.6Very low31.6Very low142 Ų142122.1 Ų122.174%0.74371%0.709SS**  trans-78.390152.1-97.690.9000106.9R144 K148R144-L146 HydrophobicContact CB-CD1 4.06Å; R144-L146 PolarHBondContact O-N 3.22Å; L146-K148 PolarHBondContact O-N 3.39Å
147V27.2Very low32.4Very low95 Ų95122.2 Ų122.258%0.57672%0.719SS**  trans-71.8108.6163.2178.90000106.6H145H145-V147 VanDerWaalsContact C-N 3.33Å; H145-V147 PolarHBondContact O-N 3.26Å
148K34Very low33.1Very low177 Ų177122 Ų12277%0.7771%0.711SS**  trans-61.6139.1166.8-66.1175.1-179.7176.50108.5L146 S150L146-K148 PolarHBondContact O-N 3.39Å; K148-S150 PolarHBondContact O-N 2.88Å
149P38.3Very low33.7Very low120 Ų120120.3 Ų120.378%0.77971%0.711SS**  trans-70.5112.2167.427.7-29.8000108.8
150S33.3Very low34.2Very low108 Ų108118.5 Ų118.576%0.75570%0.695SS**  trans-73.6122.2167.1-61.10000108.9K148K148-S150 PolarHBondContact O-N 2.88Å
151Q44.3Very low34.2Very low146 Ų146118.5 Ų118.568%0.68269%0.688SS**  trans-91.5125.8168.5-60.3177.830.500107.7
152T35.9Very low34.7Very low90 Ų90113.5 Ų113.555%0.55267%0.669SS**EExtended strand (participates in β ladder)trans-116.9113.9170.9-41.60000108.5
153L32.1Very low35.1Very low107 Ų107111.2 Ų111.256%0.5666%0.657SS**EExtended strand (participates in β ladder)trans-89.4123.6170.8-87145000108.1L163L153-L163 HydrophobicContact CD2-CD1 3.95Å; L153-L163 HydrophobicContact CG-CD1 4.16Å
154T41.2Very low35.7Very low78 Ų78115.7 Ų115.748%0.47965%0.654SS.*EExtended strand (participates in β ladder)trans-120.4120.417042.60000109.1T162T154-T162 PolarHBondContact N-O 3.49Å; T154-T162 PolarHBondContact O-N 3.12Å; T154-T162 PolarHBondContact O-OG1 2.84Å
155A33.2Very low36Very low82 Ų82113 Ų11368%0.67865%0.652SS**EExtended strand (participates in β ladder)trans-88.3130.6173.100000109.2L161A155-L161 HydrophobicContact CB-CD2 3.56Å
156S39.5Very low36.4Very low65 Ų65111.3 Ų111.346%0.45566%0.655SS.*  trans-96.1152.7172.7-175.80000110.4D158 G159 T160S156-D158 WeakPolarHBondContact CB-OD1 3.44Å; S156-D158 PolarHBondContact O-N 3.22Å; S156-D158 VanDerWaalsContact O-N 3.08Å; S156-D158 PolarHBondContact OG-OD1 3.21Å; S156-G159 PolarHBondContact O-N 2.71Å; S156-T160 PolarHBondContact N-O 2.98Å
157A44.3Very low37Very low117 Ų117108.6 Ų108.697%0.96765%0.653SS**THydrogen-bonded Turntrans-67.3-8.2-171.400000114.8
158D42.5Very low37.4Very low119 Ų119113.7 Ų113.764%0.63666%0.662SS**THydrogen-bonded Turntrans-94.79.117555.6-29000113.2S156S156-D158 WeakPolarHBondContact CB-OD1 3.44Å; S156-D158 PolarHBondContact O-N 3.22Å; S156-D158 VanDerWaalsContact O-N 3.08Å; S156-D158 PolarHBondContact OG-OD1 3.21Å
159G39.6Very low37.5Very low69 Ų69115.7 Ų115.771%0.71167%0.67SS**SBendtrans865.217200000115.1S156S156-G159 PolarHBondContact O-N 2.71Å
160T37.7Very low37.3Very low76 Ų76115 Ų11547%0.46666%0.664SS.*  trans-90.9125.5177.9-44.90000110.8S156S156-T160 PolarHBondContact N-O 2.98Å
161L32.2Very low37.4Very low123 Ų123113.8 Ų113.864%0.64467%0.668SS**EExtended strand (participates in β ladder)trans-92.1122.7172.2-63.7178.5000109.7A155A155-L161 HydrophobicContact CB-CD2 3.56Å
162T37.5Very low36.8Very low75 Ų75114 Ų11446%0.4667%0.673SS.*EExtended strand (participates in β ladder)trans-111.6131.317552.30000110.8T154T154-T162 PolarHBondContact N-O 3.49Å; T154-T162 PolarHBondContact O-N 3.12Å; T154-T162 PolarHBondContact O-OG1 2.84Å
163L34.7Very low36.4Very low95 Ų95115.2 Ų115.250%0.49769%0.685SS.*EExtended strand (participates in β ladder)trans-114.9106.8-177.4-161.2135.5000108.5L153 L165L153-L163 HydrophobicContact CD2-CD1 3.95Å; L153-L163 HydrophobicContact CG-CD1 4.16Å; L163-L165 HydrophobicContact CD2-CD1 3.2Å
164K38Very low36.2Very low176 Ų176115.1 Ų115.177%0.76570%0.7SS**EExtended strand (participates in β ladder)trans-87.6108178.3-94178.5176.2169.40110.2
165L35.9Very low35.6Very low132 Ų132116.1 Ų116.169%0.69172%0.716SS**  trans-91.2119.9167.2-112.679.5000110.1L163 A167L163-L165 HydrophobicContact CD2-CD1 3.2Å; L165-A167 PolarHBondContact O-N 3.22Å
166V37.7Very low35.3Very low145 Ų145123.5 Ų123.588%0.87973%0.726SS**  trans-84.891.4163.2-1780000107.7R168V166-R168 PolarHBondContact O-N 3.28Å
167A36.9Very low34.9Very low85 Ų85128.8 Ų128.870%0.70275%0.749SS**  trans-75.2113.4176.100000110.3L165L165-A167 PolarHBondContact O-N 3.22Å
168R36.2Very low34.3Very low203 Ų203128.9 Ų128.977%0.76674%0.737SS**  trans-68.4129.9157.5-87179.6157.1-175.8-5.7107.7V166 V170V166-R168 PolarHBondContact O-N 3.28Å; R168-V170 VanDerWaalsContact C-N 3.32Å; R168-V170 PolarHBondContact O-N 3.28Å
169K36.5Very low33.7Very low218 Ų218128 Ų12895%0.94875%0.747SS**  trans-60.887.1-178.6-158.8170-170.7171.40110.5
170V33.9Very low33.1Very low106 Ų106127.9 Ų127.964%0.64275%0.745SS**  trans-105.6119.7161.3-178.90000105R168 L172R168-V170 VanDerWaalsContact C-N 3.32Å; R168-V170 PolarHBondContact O-N 3.28Å; V170-L172 VanDerWaalsContact C-N 3.34Å; V170-L172 HydrophobicContact CB-CD1 4.42Å; V170-L172 HydrophobicContact CG1-CD1 4.27Å; V170-L172 PolarHBondContact O-N 3.22Å
171G36.3Very low32.8Very low82 Ų82133.7 Ų133.785%0.84577%0.766SS**  trans-62.797.1174.700000109.4
172L31.4Very low32.6Very low152 Ų152132 Ų13280%0.79677%0.77SS**  trans-99.8115.8164.5-86.2126.5000107.4V170V170-L172 VanDerWaalsContact C-N 3.34Å; V170-L172 HydrophobicContact CB-CD1 4.42Å; V170-L172 HydrophobicContact CG1-CD1 4.27Å; V170-L172 PolarHBondContact O-N 3.22Å
173S28Very low32.1Very low114 Ų114136.1 Ų136.180%0.79779%0.789SS**PPolyproline II helixtrans-57.8141.5168.244.70000110.7A175S173-A175 PolarHBondContact O-N 3.48Å
174A27.8Very low32.1Very low106 Ų106137 Ų13788%0.87680%0.799SS**PPolyproline II helixtrans-46.1126.4-174.700000114.5
175A28Very low31.6Very low99 Ų99135.4 Ų135.482%0.81880%0.804SS**PPolyproline II helixtrans-102.5125.4157.600000108.5S173S173-A175 PolarHBondContact O-N 3.48Å
176R27.6Very low31Very low236 Ų236137.5 Ų137.589%0.89181%0.811SS**PPolyproline II helixtrans-81.2117.5-175.9-169.6174.1-178168.5-0.8108.8V178R176-V178 HydrophobicContact CG-CG2 4.31Å
177L29.6Very low30.5Very low177 Ų177136.6 Ų136.693%0.92781%0.805SS**  trans-111.1117.9164.8-100.7150.9000108.1
178V31.5Very low29.9Very low119 Ų119140.8 Ų140.872%0.72181%0.808SS**  trans-97.1130.8176.5173.70000108.4R176R176-V178 HydrophobicContact CG-CG2 4.31Å
179A30.4Very low30Very low101 Ų101139.7 Ų139.784%0.83581%0.811SS**  trans150.4127.8149.300000106.9
180G28Very low29.5Very low65 Ų65137.4 Ų137.467%0.6780%0.804SS**  cis175.8164.75.400000106.2
181H31.6Very low29.8Very low198 Ų198141.4 Ų141.492%0.91782%0.815SS**  trans83.7101175.4-66.7-100.7000117.9
182A27.4Very low29.5Very low88 Ų88146.4 Ų146.473%0.72782%0.817SS**  trans-57.4161.2169.800000113.3
183L27.8Very low30.1Very low162 Ų162143.3 Ų143.385%0.84882%0.821SS**  cis-161.5-166.335.3-73.8165.3000108.2
184P34.3Very low30.1Very low112 Ų112142.4 Ų142.473%0.72782%0.821SS**  -117.6141.8-75.435.4-19.6000110.4
185V26.5Very low30.7Very low143 Ų143142.1 Ų142.187%0.86782%0.819SS**  trans-127124.5166.5-178.80000108.7
186Q24.5Very low30.7Very low176 Ų176143 Ų14382%0.82282%0.817SS**  trans-61.2134-173.6-62.4-149-18.100111.6K188Q186-K188 PolarHBondContact O-N 2.87Å
187V26.5Very low31.2Very low127 Ų127140 Ų14077%0.7782%0.818SS**  trans-80.1113.4167.5-162.60000106.6E189V187-E189 HydrophobicContact CG1-CG 4.34Å
188K24.7Very low31.5Very low172 Ų172138.7 Ų138.775%0.74881%0.81SS**  trans-96.2112.1154.8-79.9-172.8174.8-174.40106.5Q186 E190Q186-K188 PolarHBondContact O-N 2.87Å; K188-E190 PolarHBondContact O-N 3.19Å
189E37Very low31.8Very low181 Ų181137 Ų13785%0.84682%0.818SS**  trans-71112.2164-67.3179.3149.100107.1V187V187-E189 HydrophobicContact CG1-CG 4.34Å
190E26.6Very low31.9Very low170 Ų170135 Ų13579%0.79481%0.807SS**  trans-116.199.3161.7-75.1-175.1171.800106.8K188 E192K188-E190 PolarHBondContact O-N 3.19Å; E190-E192 PolarHBondContact O-N 3.05Å
191E41.2Very low32.2Very low189 Ų189141.3 Ų141.388%0.88382%0.819SS**  trans-70105.1160.2-70.6-141.9143.300108.2
192E29.9Very low32.3Very low188 Ų188136.8 Ų136.888%0.87980%0.801SS**  trans-148.8130.7151.7-73.8-156.415200110.8E190 A194E190-E192 PolarHBondContact O-N 3.05Å; E192-A194 PolarHBondContact O-N 3.42Å
193G43Very low33Very low86 Ų86138 Ų13889%0.88780%0.801SS**  trans-61.7128.217600000111.6
194A29.4Very low34.2Very low95 Ų95139.8 Ų139.879%0.78581%0.805SS**  trans-117104.7174.200000110.6E192 C196E192-A194 PolarHBondContact O-N 3.42Å; A194-C196 PolarHBondContact O-N 3.42Å
195A39.9Very low35.3Very low101 Ų101140.5 Ų140.584%0.83580%0.803SS**  trans-54.3121.4150.900000108.5
196C27.3Very low37.1Very low116 Ų116141.1 Ų141.178%0.78479%0.794SS**  trans-97.299.6175.6-152.20000108.9A194A194-C196 PolarHBondContact O-N 3.42Å
197L39.3Very low39.3Very low173 Ų173140.2 Ų140.291%0.90679%0.787SS**  trans-82111.2160.2-73.7170.3000107.8
198I34.7Very low42Very low150 Ų150143.5 Ų143.577%0.76979%0.786SS**  trans-124.7116.2153-62.2-168.3000107.1G200I198-G200 PolarHBondContact O-N 2.84Å
199G38.8Very low45.1Very low85 Ų85140.4 Ų140.488%0.87678%0.776SS**  trans-64117170.100000110.1
200G31.7Very low47.7Very low59 Ų59133.6 Ų133.661%0.60874%0.744SS**  trans-150.9124.8163.600000105.4I198 L202I198-G200 PolarHBondContact O-N 2.84Å; G200-L202 PolarHBondContact O-N 3.44Å
201E33.9Very low50.8Low197 Ų197134.1 Ų134.192%0.92174%0.739SS**PPolyproline II helixtrans-48.5123.2-173.6-64.9169.9127.100110.8P203E201-P203 WeakPolarHBondContact O-CD 3.05Å
202L34.1Very low53.2Low102 Ų102125.7 Ų125.753%0.53470%0.701SS.*PPolyproline II helixtrans-77.6123.5-176.7-85.2153.4000109.5G200 E204 K206G200-L202 PolarHBondContact O-N 3.44Å; L202-E204 PolarHBondContact O-N 3.21Å; L202-E204 VanDerWaalsContact O-N 3.12Å; L202-K206 HydrophobicContact CD1-CD 4.38Å; L202-K206 HydrophobicContact CD2-CD 3.75Å; L202-K206 HydrophobicContact CD2-CG 4.15Å
203P42.6Very low56.2Low114 Ų114125.3 Ų125.374%0.7470%0.699SS**PPolyproline II helixtrans-62.9118156.826.3-30000107.1E201 N205E201-P203 WeakPolarHBondContact O-CD 3.05Å; P203-N205 PolarHBondContact O-N 3.28Å
204E53.5Low58.5Low199 Ų199126.4 Ų126.493%0.9368%0.68SS**SBendtrans-65.575.7179.4-75175135.500111.2L202L202-E204 PolarHBondContact O-N 3.21Å; L202-E204 VanDerWaalsContact O-N 3.12Å
205N56Low61.5Low127 Ų127129.2 Ų129.268%0.67968%0.682SS**  trans-156.955.7158.4-156.5-24.4000110.6P203 K207P203-N205 PolarHBondContact O-N 3.28Å; N205-K207 VanDerWaalsContact C-N 3.33Å; N205-K207 PolarHBondContact O-N 3.29Å
206K64.2Low63.8Low157 Ų157128 Ų12868%0.68368%0.678SS**  trans-70.289.8172.2-90.8173.6158.2163.30109.3L202 R208L202-K206 HydrophobicContact CD1-CD 4.38Å; L202-K206 HydrophobicContact CD2-CD 3.75Å; L202-K206 HydrophobicContact CD2-CG 4.15Å; K206-R208 PolarHBondContact O-N 3.3Å; K206-R208 VanDerWaalsContact O-N 3.08Å
207K72Confident66.8Low156 Ų156123.5 Ų123.568%0.67865%0.649SS**  trans-56.2114.9168.1-68.4177.4-177.3171.90108.8N205 I209N205-K207 VanDerWaalsContact C-N 3.33Å; N205-K207 PolarHBondContact O-N 3.29Å; K207-I209 PolarHBondContact O-N 2.93Å
208R82.3Confident69.3Low197 Ų197126.7 Ų126.774%0.74365%0.649SS**  trans-62.5126.9178.9-172.8176.5179.9-176.80.8109.7K206 H210K206-R208 PolarHBondContact O-N 3.3Å; K206-R208 VanDerWaalsContact O-N 3.08Å; R208-H210 PolarHBondContact O-CD2 3.42Å
209I90.1Very high72Confident106 Ų106125.4 Ų125.454%0.54464%0.637SS.*  trans-89.4129175-57.9174000108.5K207 V220K207-I209 PolarHBondContact O-N 2.93Å; I209-V220 HydrophobicContact CG2-CB 4.08Å
210H90.5Very high74.5Confident38 Ų38125.1 Ų125.118%0.17662%0.618CS.*EExtended strand (participates in β ladder)trans-104.3115.6179-63-83.7000109.5R208 V220 Y221 K223 S224 L227R208-H210 PolarHBondContact O-CD2 3.42Å; H210-V220 CarbonylContact O-C 3.56Å; H210-V220 WeakPolarHBondContact O-CA 3Å; H210-Y221 WeakPolarHBondContact CB-O 3.38Å; H210-Y221 PolarHBondContact N-O 3.4Å; H210-Y221 PolarHBondContact O-N 3.46Å; H210-K223 VanDerWaalsContact CD2-C 3.47Å; H210-S224 PolarHBondContact CD2-N 3.46Å; H210-S224 VanDerWaalsContact CD2-N 3.32Å; H210-S224 PolarHBondContact NE2-N 3.27Å; H210-L227 HydrophobicContact CB-CB 3.99Å; H210-L227 HydrophobicContact CB-CD2 3.73Å; H210-L227 HydrophobicContact CB-CG 4.44Å
211R92.6Very high77.4Confident181 Ų181124.4 Ų124.468%0.68360%0.598SS**EExtended strand (participates in β ladder)trans-96.9142.4178.6-56.7-165.1179.3-149.60.5110.9V220 L227R211-V220 HydrophobicContact CB-CG1 4.28Å; R211-V220 HydrophobicContact CG-CG1 3.78Å; R211-L227 WeakPolarHBondContact O-CD2 3.47Å
212C92.6Very high80.1Confident13 Ų13119.4 Ų119.49%0.08858%0.581CS.*  trans-68.2135.5166.9-165.80000109.8C217 K219 L227 H230C212-C217 HydrophobicContact CB-CB 4.3Å; C212-K219 WeakPolarHBondContact CB-O 3.35Å; C212-K219 PolarHBondContact N-O 2.81Å; C212-L227 HydrophobicContact CB-CD1 3.95Å; C212-H230 PolarHBondContact SG-NE2 3.27Å
213Q91.2Very high82.7Confident179 Ų179120.2 Ų120.284%0.83658%0.58SS**  trans-1000.2-180-64.3175.98.900112.2
214F92Very high84.9Confident109 Ų109118.4 Ų118.448%0.47857%0.57SS.*SBendtrans-68.8137.5179.7-167.6-94.9000110.8G216 C217 H234F214-G216 PolarHBondContact O-N 3.49Å; F214-C217 HydrophobicContact CB-CB 4.01Å; F214-C217 HydrophobicContact CD1-CB 4.4Å; F214-C217 WeakPolarHBondContact O-CB 3.49Å; F214-C217 PolarHBondContact O-N 3.16Å; F214-H234 VanDerWaalsContact CB-CD2 3.48Å; F214-H234 WeakPolarHBondContact CB-CD2 3.42Å; F214-H234 HydrophobicContact CD1-CB 4.28Å; F214-H234 AromaticContact CD1-CE1 3.49Å; F214-H234 VanDerWaalsContact CD1-CE1 3.49Å; F214-H234 WeakPolarHBondContact CD1-CE1 3.34Å; F214-H234 AromaticContact CD1-CG 3.65Å; F214-H234 AromaticContact CD1-ND1 3.25Å; F214-H234 WeakPolarHBondContact CD1-ND1 3.5Å; F214-H234 HydrophobicContact CD2-CB 3.55Å; F214-H234 AromaticContact CD2-CG 3.7Å; F214-H234 HydrophobicContact CE1-CB 4.39Å; F214-H234 AromaticContact CE1-ND1 3.56Å; F214-H234 HydrophobicContact CE2-CB 3.69Å; F214-H234 HydrophobicContact CG-CB 3.85Å; F214-H234 AromaticContact CG-CD2 3.66Å; F214-H234 AromaticContact CG-CE1 3.85Å; F214-H234 AromaticContact CG-CG 3.42Å; F214-H234 VanDerWaalsContact CG-CG 3.42Å; F214-H234 AromaticContact CG-ND1 3.56Å; F214-H234 AromaticContact CG-NE2 3.93Å; F214-H234 HydrophobicContact CZ-CB 4.11Å
215N91.8Very high86.6Confident155 Ų155112.3 Ų112.383%0.82955%0.549SS*.THydrogen-bonded Turntrans-59.4131.7-176.7-168.921.2000110.9C217N215-C217 PolarHBondContact O-N 2.9Å
216G88.7Confident88.1Confident74 Ų74110.5 Ų110.576%0.76354%0.537SS*.THydrogen-bonded Turntrans75.7-6-175.600000115.6F214F214-G216 PolarHBondContact O-N 3.49Å
217C90Very high89.4Confident23 Ų23104 Ų10416%0.15551%0.509CS..  trans-93.3118.8177.7-170.80000112.2C212 F214 N215 H230 H234C212-C217 HydrophobicContact CB-CB 4.3Å; F214-C217 HydrophobicContact CB-CB 4.01Å; F214-C217 HydrophobicContact CD1-CB 4.4Å; F214-C217 WeakPolarHBondContact O-CB 3.49Å; F214-C217 PolarHBondContact O-N 3.16Å; N215-C217 PolarHBondContact O-N 2.9Å; C217-H230 PolarHBondContact SG-NE2 3.25Å; C217-H234 PolarHBondContact SG-NE2 3.4Å
218R91.4Very high90.1Very high240 Ų240103 Ų10391%0.90651%0.505SS*.  trans-102.315.5179-60.3-175.9-172.9-136.70.4114
219K91.5Very high90.3Very high123 Ų12394.6 Ų94.654%0.53548%0.477SS..  trans-74.5139.5-176.2-63.2-116.6-178-178.70111.7C212 Y221C212-K219 WeakPolarHBondContact CB-O 3.35Å; C212-K219 PolarHBondContact N-O 2.81Å; K219-Y221 HydrophobicContact CB-CE2 3.79Å
220V92.1Very high90.2Very high79 Ų7990.4 Ų90.448%0.47946%0.455SS..EExtended strand (participates in β ladder)trans-129.9146.6179.8-58.10000111I209 H210 R211I209-V220 HydrophobicContact CG2-CB 4.08Å; H210-V220 CarbonylContact O-C 3.56Å; H210-V220 WeakPolarHBondContact O-CA 3Å; R211-V220 HydrophobicContact CB-CG1 4.28Å; R211-V220 HydrophobicContact CG-CG1 3.78Å
221Y91.8Very high90.1Very high44 Ų4492.3 Ų92.317%0.17346%0.464CS..EExtended strand (participates in β ladder)trans-134.9145.4-173-59.3-84.2000110.6H210 K219 H226 L227 H230H210-Y221 WeakPolarHBondContact CB-O 3.38Å; H210-Y221 PolarHBondContact N-O 3.4Å; H210-Y221 PolarHBondContact O-N 3.46Å; K219-Y221 HydrophobicContact CB-CE2 3.79Å; Y221-H226 HydrophobicContact CD1-CB 3.61Å; Y221-H226 HydrophobicContact CE1-CB 4.41Å; Y221-H226 HydrophobicContact CG-CB 4.08Å; Y221-L227 HydrophobicContact CD2-CB 3.84Å; Y221-L227 HydrophobicContact CD2-CD1 3.77Å; Y221-L227 HydrophobicContact CD2-CG 4.42Å; Y221-L227 HydrophobicContact CE2-CD1 4.04Å; Y221-L227 HydrophobicContact CG-CB 4.21Å; Y221-H230 HydrophobicContact CE1-CB 4.14Å; Y221-H230 HydrophobicContact CE2-CB 3.68Å; Y221-H230 AromaticContact CE2-CD2 3.33Å; Y221-H230 WeakPolarHBondContact CE2-CD2 3.25Å; Y221-H230 AromaticContact CE2-CG 3.6Å; Y221-H230 AromaticContact CZ-CD2 3.67Å; Y221-H230 AromaticContact CZ-CG 3.45Å; Y221-H230 VanDerWaalsContact CZ-CG 3.45Å; Y221-H230 WeakPolarHBondContact OH-CB 3.17Å; Y221-H230 PolarHBondContact OH-CD2 3.27Å; Y221-H230 VanDerWaalsContact OH-CD2 3.29Å; Y221-H230 PolarHBondContact OH-ND1 2.95Å; Y221-H230 VanDerWaalsContact OH-ND1 3.13Å
222T91.6Very high89.9Confident92 Ų9285.6 Ų85.656%0.56444%0.439SS*.SBendtrans-88.1-8.4175.752.30000113.1
223K89.2Confident89.6Confident119 Ų11988.2 Ų88.252%0.51746%0.455SS..SBendtrans-127.6136.7177.8-62.5-174.2-177.7-179.90109.9H210 S225 H226 L227H210-K223 VanDerWaalsContact CD2-C 3.47Å; K223-S225 VanDerWaalsContact C-N 3.29Å; K223-S225 PolarHBondContact O-N 3.35Å; K223-H226 HydrophobicContact CB-CB 4.38Å; K223-H226 PolarHBondContact O-N 3.27Å; K223-L227 PolarHBondContact O-N 3.24Å
224S88.6Confident89.4Confident76 Ų7682.4 Ų82.453%0.53143%0.427SS..Hα-helixtrans-60.3-38.4175.455.10000112.3H210 H226 L227 K228H210-S224 PolarHBondContact CD2-N 3.46Å; H210-S224 VanDerWaalsContact CD2-N 3.32Å; H210-S224 PolarHBondContact NE2-N 3.27Å; S224-H226 VanDerWaalsContact C-N 3.3Å; S224-H226 PolarHBondContact O-N 3.35Å; S224-L227 PolarHBondContact O-N 2.81Å; S224-K228 PolarHBondContact O-N 3.33Å
225S87.8Confident89.2Confident70 Ų7081.3 Ų81.349%0.4943%0.429SS..Hα-helixtrans-60.8-37.3177.356.90000112.8K223 K228 A229K223-S225 VanDerWaalsContact C-N 3.29Å; K223-S225 PolarHBondContact O-N 3.35Å; S225-K228 PolarHBondContact O-N 3.43Å; S225-A229 WeakPolarHBondContact O-CB 3.39Å; S225-A229 PolarHBondContact O-N 3.12Å
226H88.5Confident88.9Confident90 Ų9075.6 Ų75.642%0.41741%0.408SS..Hα-helixtrans-71.5-39.2176.8-65.9-176.9000111.7Y221 K223 S224 A229 H230Y221-H226 HydrophobicContact CD1-CB 3.61Å; Y221-H226 HydrophobicContact CE1-CB 4.41Å; Y221-H226 HydrophobicContact CG-CB 4.08Å; K223-H226 HydrophobicContact CB-CB 4.38Å; K223-H226 PolarHBondContact O-N 3.27Å; S224-H226 VanDerWaalsContact C-N 3.3Å; S224-H226 PolarHBondContact O-N 3.35Å; H226-A229 PolarHBondContact O-N 3.04Å; H226-H230 WeakPolarHBondContact O-CB 3.46Å; H226-H230 PolarHBondContact O-N 3.1Å
227L90.3Very high88.8Confident20 Ų2077.5 Ų77.511%0.10540%0.397CS..Hα-helixtrans-60.8-46.7172.6173.262.3000110.7H210 R211 C212 Y221 K223 S224 A229 H230 Q231H210-L227 HydrophobicContact CB-CB 3.99Å; H210-L227 HydrophobicContact CB-CD2 3.73Å; H210-L227 HydrophobicContact CB-CG 4.44Å; R211-L227 WeakPolarHBondContact O-CD2 3.47Å; C212-L227 HydrophobicContact CB-CD1 3.95Å; Y221-L227 HydrophobicContact CD2-CB 3.84Å; Y221-L227 HydrophobicContact CD2-CD1 3.77Å; Y221-L227 HydrophobicContact CD2-CG 4.42Å; Y221-L227 HydrophobicContact CE2-CD1 4.04Å; Y221-L227 HydrophobicContact CG-CB 4.21Å; K223-L227 PolarHBondContact O-N 3.24Å; S224-L227 PolarHBondContact O-N 2.81Å; L227-A229 VanDerWaalsContact C-N 3.34Å; L227-A229 PolarHBondContact O-N 2.97Å; L227-H230 WeakPolarHBondContact O-CB 3.41Å; L227-H230 PolarHBondContact O-N 3.28Å; L227-H230 VanDerWaalsContact O-N 3.13Å; L227-Q231 HydrophobicContact CD1-CG 4.21Å; L227-Q231 HydrophobicContact CG-CG 4.47Å; L227-Q231 WeakPolarHBondContact O-CG 3.45Å; L227-Q231 PolarHBondContact O-N 2.97Å
228K88Confident88.8Confident136 Ų13680.2 Ų80.259%0.59141%0.406SS*.Hα-helixtrans-61-42.4178.7-169.3173.3-174.3176.80112S224 S225 H230 Q231S224-K228 PolarHBondContact O-N 3.33Å; S225-K228 PolarHBondContact O-N 3.43Å; K228-H230 VanDerWaalsContact C-N 3.33Å; K228-Q231 PolarHBondContact O-N 3.46Å
229A86.5Confident88.7Confident19 Ų1970.8 Ų70.816%0.15738%0.376CS..Hα-helixtrans-63.7-39.2174.700000112.2S225 H226 L227 R232 R253S225-A229 WeakPolarHBondContact O-CB 3.39Å; S225-A229 PolarHBondContact O-N 3.12Å; H226-A229 PolarHBondContact O-N 3.04Å; L227-A229 VanDerWaalsContact C-N 3.34Å; L227-A229 PolarHBondContact O-N 2.97Å; A229-R232 WeakPolarHBondContact O-CB 3.33Å; A229-R232 PolarHBondContact O-N 3.21Å; A229-R253 HydrophobicContact CB-CG 4.37Å
230H87.4Confident88.6Confident19 Ų1966.9 Ų66.99%0.08836%0.358CS..Hα-helixtrans-66.9-38175.3166.159.5000113C212 C217 Y221 H226 L227 K228 R232 T233 H234C212-H230 PolarHBondContact SG-NE2 3.27Å; C217-H230 PolarHBondContact SG-NE2 3.25Å; Y221-H230 HydrophobicContact CE1-CB 4.14Å; Y221-H230 HydrophobicContact CE2-CB 3.68Å; Y221-H230 AromaticContact CE2-CD2 3.33Å; Y221-H230 WeakPolarHBondContact CE2-CD2 3.25Å; Y221-H230 AromaticContact CE2-CG 3.6Å; Y221-H230 AromaticContact CZ-CD2 3.67Å; Y221-H230 AromaticContact CZ-CG 3.45Å; Y221-H230 VanDerWaalsContact CZ-CG 3.45Å; Y221-H230 WeakPolarHBondContact OH-CB 3.17Å; Y221-H230 PolarHBondContact OH-CD2 3.27Å; Y221-H230 VanDerWaalsContact OH-CD2 3.29Å; Y221-H230 PolarHBondContact OH-ND1 2.95Å; Y221-H230 VanDerWaalsContact OH-ND1 3.13Å; H226-H230 WeakPolarHBondContact O-CB 3.46Å; H226-H230 PolarHBondContact O-N 3.1Å; L227-H230 WeakPolarHBondContact O-CB 3.41Å; L227-H230 PolarHBondContact O-N 3.28Å; L227-H230 VanDerWaalsContact O-N 3.13Å; K228-H230 VanDerWaalsContact C-N 3.33Å; H230-R232 PolarHBondContact O-N 3.4Å; H230-R232 VanDerWaalsContact O-N 3.08Å; H230-T233 PolarHBondContact ND1-OG1 2.92Å; H230-T233 WeakPolarHBondContact O-CB 3.48Å; H230-T233 WeakPolarHBondContact O-CG2 3.49Å; H230-T233 PolarHBondContact O-N 2.9Å; H230-T233 PolarHBondContact O-OG1 3.35Å; H230-H234 AromaticContact CE1-NE2 3.44Å; H230-H234 PolarHBondContact CE1-NE2 3.45Å; H230-H234 AromaticContact NE2-NE2 3.33Å; H230-H234 PolarHBondContact NE2-NE2 3.37Å
231Q88Confident88.5Confident77 Ų7768.2 Ų68.236%0.3636%0.357SS..Hα-helixtrans-57.3-27.8178.7-75.6172.8-48.600112.4L227 K228 T233 H234 T235L227-Q231 HydrophobicContact CD1-CG 4.21Å; L227-Q231 HydrophobicContact CG-CG 4.47Å; L227-Q231 WeakPolarHBondContact O-CG 3.45Å; L227-Q231 PolarHBondContact O-N 2.97Å; K228-Q231 PolarHBondContact O-N 3.46Å; Q231-T233 PolarHBondContact O-N 3.2Å; Q231-H234 WeakPolarHBondContact O-CB 3.45Å; Q231-H234 PolarHBondContact O-N 2.96Å; Q231-T235 PolarHBondContact O-N 3.13Å
232R88.9Confident88.4Confident40 Ų4066.3 Ų66.315%0.15135%0.35CS..Hα-helixtrans-62-22.8172.9-59.3-172.3-175.8114.35.3114.2A229 H230 H234 T235 G236 E237 A252A229-R232 WeakPolarHBondContact O-CB 3.33Å; A229-R232 PolarHBondContact O-N 3.21Å; H230-R232 PolarHBondContact O-N 3.4Å; H230-R232 VanDerWaalsContact O-N 3.08Å; R232-H234 PolarHBondContact O-N 3.02Å; R232-T235 WeakPolarHBondContact CA-OG1 3.24Å; R232-G236 WeakPolarHBondContact O-CA 3.43Å; R232-G236 PolarHBondContact O-N 3.38Å; R232-E237 HydrophobicContact CB-CB 4.31Å; R232-E237 HydrophobicContact CG-CB 4.12Å; R232-E237 PolarHBondContact O-N 3.41Å; R232-A252 HydrophobicContact CB-CB 4.13Å; R232-A252 WeakPolarHBondContact CD-O 3.35Å; R232-A252 PolarHBondContact NH1-O 3.31Å
233T86.1Confident88.4Confident69 Ų6965.9 Ų65.942%0.42335%0.351SS..Hα-helixtrans-73.1-14.9173.671.80000112.5Y66 H230 Q231Y66-T233 PolarHBondContact OH-O 3.44Å; H230-T233 PolarHBondContact ND1-OG1 2.92Å; H230-T233 WeakPolarHBondContact O-CB 3.48Å; H230-T233 WeakPolarHBondContact O-CG2 3.49Å; H230-T233 PolarHBondContact O-N 2.9Å; H230-T233 PolarHBondContact O-OG1 3.35Å; Q231-T233 PolarHBondContact O-N 3.2Å
234H87.6Confident88.4Confident57 Ų5765 Ų6526%0.26435%0.345SS..Hα-helixtrans-95.6-37.7174.6-64-55.4000111.7F214 C217 H230 Q231 R232F214-H234 VanDerWaalsContact CB-CD2 3.48Å; F214-H234 WeakPolarHBondContact CB-CD2 3.42Å; F214-H234 HydrophobicContact CD1-CB 4.28Å; F214-H234 AromaticContact CD1-CE1 3.49Å; F214-H234 VanDerWaalsContact CD1-CE1 3.49Å; F214-H234 WeakPolarHBondContact CD1-CE1 3.34Å; F214-H234 AromaticContact CD1-CG 3.65Å; F214-H234 AromaticContact CD1-ND1 3.25Å; F214-H234 WeakPolarHBondContact CD1-ND1 3.5Å; F214-H234 HydrophobicContact CD2-CB 3.55Å; F214-H234 AromaticContact CD2-CG 3.7Å; F214-H234 HydrophobicContact CE1-CB 4.39Å; F214-H234 AromaticContact CE1-ND1 3.56Å; F214-H234 HydrophobicContact CE2-CB 3.69Å; F214-H234 HydrophobicContact CG-CB 3.85Å; F214-H234 AromaticContact CG-CD2 3.66Å; F214-H234 AromaticContact CG-CE1 3.85Å; F214-H234 AromaticContact CG-CG 3.42Å; F214-H234 VanDerWaalsContact CG-CG 3.42Å; F214-H234 AromaticContact CG-ND1 3.56Å; F214-H234 AromaticContact CG-NE2 3.93Å; F214-H234 HydrophobicContact CZ-CB 4.11Å; C217-H234 PolarHBondContact SG-NE2 3.4Å; H230-H234 AromaticContact CE1-NE2 3.44Å; H230-H234 PolarHBondContact CE1-NE2 3.45Å; H230-H234 AromaticContact NE2-NE2 3.33Å; H230-H234 PolarHBondContact NE2-NE2 3.37Å; Q231-H234 WeakPolarHBondContact O-CB 3.45Å; Q231-H234 PolarHBondContact O-N 2.96Å; R232-H234 PolarHBondContact O-N 3.02Å
235T86.5Confident88.4Confident85 Ų8569.9 Ų69.952%0.52136%0.359SS..Hα-helixtrans-87.4-13.5-179.460.90000113.6Q231 R232 E237Q231-T235 PolarHBondContact O-N 3.13Å; R232-T235 WeakPolarHBondContact CA-OG1 3.24Å; T235-E237 PolarHBondContact O-N 2.88Å; T235-E237 WeakPolarHBondContact OG1-CG 3.05Å
236G85.9Confident88.5Confident36 Ų3670.6 Ų70.637%0.37138%0.378SS..  trans743.4-175.600000114.2R232 K238R232-G236 WeakPolarHBondContact O-CA 3.43Å; R232-G236 PolarHBondContact O-N 3.38Å; G236-K238 PolarHBondContact O-N 3.41Å
237E87.9Confident88.4Confident114 Ų11467 Ų6753%0.53336%0.363SS..  trans-60.4121.9-177.7-77.9177.9-162.200112.5R232 T235 P239R232-E237 HydrophobicContact CB-CB 4.31Å; R232-E237 HydrophobicContact CG-CB 4.12Å; R232-E237 PolarHBondContact O-N 3.41Å; T235-E237 PolarHBondContact O-N 2.88Å; T235-E237 WeakPolarHBondContact OG1-CG 3.05Å; E237-P239 VanDerWaalsContact O-CD 3.31Å; E237-P239 WeakPolarHBondContact O-CD 2.85Å
238K89Confident88.4Confident79 Ų7973.6 Ų73.634%0.34339%0.393SS..  trans-120.577.1176.6-67.1167.7-178.7176.50110.7G236 Y240 R250 F251G236-K238 PolarHBondContact O-N 3.41Å; K238-Y240 VanDerWaalsContact C-N 3.25Å; K238-Y240 PolarHBondContact O-N 2.94Å; K238-R250 HydrophobicContact CB-CB 3.53Å; K238-R250 HydrophobicContact CD-CB 4.2Å; K238-R250 HydrophobicContact CG-CB 4.43Å; K238-R250 PolarHBondContact O-NE 3.42Å; K238-F251 CarbonylContact C-O 3.3Å; K238-F251 VanDerWaalsContact C-O 3.3Å; K238-F251 VanDerWaalsContact CA-O 3.29Å; K238-F251 WeakPolarHBondContact CA-O 3.15Å
239P88.7Confident88.4Confident43 Ų4374.9 Ų74.928%0.27939%0.394SS..  trans-68.9-22.1-174.625.8-32.9000113.3E237E237-P239 VanDerWaalsContact O-CD 3.31Å; E237-P239 WeakPolarHBondContact O-CD 2.85Å
240Y89.2Confident88.5Confident40 Ų4079.7 Ų79.716%0.15741%0.408CS..EExtended strand (participates in β ladder)trans-95.4102.1-174.1-57-78.4000111.1P84 K238 R250 F251 A252P84-Y240 HydrophobicContact CG-CE1 3.93Å; K238-Y240 VanDerWaalsContact C-N 3.25Å; K238-Y240 PolarHBondContact O-N 2.94Å; Y240-R250 CarbonylContact O-C 3.47Å; Y240-R250 VanDerWaalsContact O-CA 3.26Å; Y240-R250 WeakPolarHBondContact O-CA 3.38Å; Y240-F251 WeakPolarHBondContact CD2-O 3.32Å; Y240-F251 PolarHBondContact N-O 3.45Å; Y240-F251 VanDerWaalsContact N-O 3.09Å; Y240-F251 PolarHBondContact O-N 2.94Å; Y240-A252 WeakPolarHBondContact CE2-O 3.35Å
241K90.1Very high88.5Confident107 Ų10780 Ų8047%0.46541%0.409SS..EExtended strand (participates in β ladder)trans-88.5142.3176.6-171.7-178.3176.6-179.80111.1R250K241-R250 HydrophobicContact CB-CG 4.34Å; K241-R250 HydrophobicContact CG-CG 4.23Å
242C90.4Very high88.4Confident4 Ų477.1 Ų77.13%0.02740%0.399CS..  trans-68.3130.6167.8-165.20000110.5W244 C247 W249 L257 H260C242-W244 VanDerWaalsContact C-N 3.34Å; C242-C247 HydrophobicContact CB-CB 4.24Å; C242-W249 WeakPolarHBondContact CB-O 3.41Å; C242-W249 PolarHBondContact N-O 3.46Å; C242-L257 HydrophobicContact CB-CD1 4.12Å; C242-H260 VanDerWaalsContact SG-CD2 3.57Å
243S91.2Very high88.3Confident84 Ų8480.5 Ų80.559%0.58741%0.412SS*.  trans-9410.317752.60000113.1
244W88.7Confident88.3Confident101 Ų10179.7 Ų79.738%0.38341%0.409SS..SBendtrans-78.5134.3177.3-167-83.8000110.5C242 G246 C247 Y261 H264 T265C242-W244 VanDerWaalsContact C-N 3.34Å; W244-G246 PolarHBondContact O-N 3.49Å; W244-C247 HydrophobicContact CB-CB 3.97Å; W244-C247 WeakPolarHBondContact O-CB 3.26Å; W244-C247 PolarHBondContact O-N 2.64Å; W244-Y261 HydrophobicContact CE3-CE1 4.35Å; W244-Y261 HydrophobicContact CE3-CE2 4.15Å; W244-Y261 AromaticContact CE3-CZ 3.85Å; W244-Y261 HydrophobicContact CZ3-CE1 4.42Å; W244-H264 AromaticContact CD1-CE1 3.64Å; W244-H264 AromaticContact CD1-CG 3.94Å; W244-H264 AromaticContact CD1-ND1 3.49Å; W244-H264 HydrophobicContact CD2-CB 3.41Å; W244-H264 VanDerWaalsContact CD2-CB 3.41Å; W244-H264 AromaticContact CD2-CD2 3.94Å; W244-H264 AromaticContact CD2-CG 3.45Å; W244-H264 VanDerWaalsContact CD2-CG 3.45Å; W244-H264 AromaticContact CD2-ND1 3.78Å; W244-H264 AromaticContact CE2-CG 3.86Å; W244-H264 AromaticContact CE2-ND1 3.85Å; W244-H264 HydrophobicContact CE3-CB 3.35Å; W244-H264 AromaticContact CE3-CG 3.82Å; W244-H264 HydrophobicContact CG-CB 4.06Å; W244-H264 AromaticContact CG-CD2 3.66Å; W244-H264 AromaticContact CG-CE1 3.72Å; W244-H264 AromaticContact CG-CG 3.52Å; W244-H264 AromaticContact CG-ND1 3.56Å; W244-H264 AromaticContact CG-NE2 3.81Å; W244-H264 HydrophobicContact CH2-CB 3.8Å; W244-H264 HydrophobicContact CZ2-CB 3.87Å; W244-H264 HydrophobicContact CZ3-CB 3.55Å; W244-H264 AromaticContact NE1-ND1 3.68Å; W244-T265 HydrophobicContact CZ3-CG2 3.97Å
245E90.2Very high88.2Confident177 Ų17780.5 Ų80.583%0.82742%0.415SS*.THydrogen-bonded Turntrans-56.3125.7-179.6-64.6-59.4143.400111.4C247E245-C247 VanDerWaalsContact C-N 3.29Å; E245-C247 PolarHBondContact O-N 3.1Å
246G88.4Confident88.2Confident86 Ų8678.9 Ų78.989%0.88740%0.402SS*.THydrogen-bonded Turntrans76.76.1-175.900000115.4W244W244-G246 PolarHBondContact O-N 3.49Å
247C87.6Confident88.4Confident14 Ų1477.6 Ų77.610%0.09539%0.386CS..  trans-109.2115174.5-169.50000111.7C242 W244 E245 H260 H264C242-C247 HydrophobicContact CB-CB 4.24Å; W244-C247 HydrophobicContact CB-CB 3.97Å; W244-C247 WeakPolarHBondContact O-CB 3.26Å; W244-C247 PolarHBondContact O-N 2.64Å; E245-C247 VanDerWaalsContact C-N 3.29Å; E245-C247 PolarHBondContact O-N 3.1Å; C247-H260 PolarHBondContact SG-NE2 3.38Å; C247-H264 PolarHBondContact SG-NE2 3.17Å
248E89.4Confident88.4Confident159 Ų15973.8 Ų73.874%0.74337%0.371SS*.  trans-10210.9-179.7-58.7-168.4143.900113.3R250E248-R250 PolarHBondContact O-N 3.41Å
249W88.3Confident88.3Confident163 Ų16372.9 Ų72.962%0.61737%0.365SS*.  trans-65.4136-176.9-79.167.3000112C242 F251 H260C242-W249 WeakPolarHBondContact CB-O 3.41Å; C242-W249 PolarHBondContact N-O 3.46Å; W249-F251 HydrophobicContact CB-CE2 3.91Å; W249-F251 HydrophobicContact CB-CZ 3.9Å; W249-F251 HydrophobicContact CE3-CE1 4.33Å; W249-F251 HydrophobicContact CE3-CZ 4.1Å; W249-H260 AromaticContact CG-CE1 3.95Å
250R89.4Confident88.3Confident119 Ų11971.8 Ų71.845%0.44936%0.356SS..EExtended strand (participates in β ladder)trans-122147.9177.3-48.8-174.477.1116.11.8111.2K238 Y240 K241 E248K238-R250 HydrophobicContact CB-CB 3.53Å; K238-R250 HydrophobicContact CD-CB 4.2Å; K238-R250 HydrophobicContact CG-CB 4.43Å; K238-R250 PolarHBondContact O-NE 3.42Å; Y240-R250 CarbonylContact O-C 3.47Å; Y240-R250 VanDerWaalsContact O-CA 3.26Å; Y240-R250 WeakPolarHBondContact O-CA 3.38Å; K241-R250 HydrophobicContact CB-CG 4.34Å; K241-R250 HydrophobicContact CG-CG 4.23Å; E248-R250 PolarHBondContact O-N 3.41Å
251F87.1Confident88.1Confident25 Ų2572.1 Ų72.111%0.1136%0.358CS..EExtended strand (participates in β ladder)trans-128.8151.5-174.6-58.3-82.6000111.6K238 Y240 W249 E256 L257 H260K238-F251 CarbonylContact C-O 3.3Å; K238-F251 VanDerWaalsContact C-O 3.3Å; K238-F251 VanDerWaalsContact CA-O 3.29Å; K238-F251 WeakPolarHBondContact CA-O 3.15Å; Y240-F251 WeakPolarHBondContact CD2-O 3.32Å; Y240-F251 PolarHBondContact N-O 3.45Å; Y240-F251 VanDerWaalsContact N-O 3.09Å; Y240-F251 PolarHBondContact O-N 2.94Å; W249-F251 HydrophobicContact CB-CE2 3.91Å; W249-F251 HydrophobicContact CB-CZ 3.9Å; W249-F251 HydrophobicContact CE3-CE1 4.33Å; W249-F251 HydrophobicContact CE3-CZ 4.1Å; F251-E256 HydrophobicContact CB-CB 3.95Å; F251-E256 HydrophobicContact CD1-CB 3.79Å; F251-E256 HydrophobicContact CG-CB 4.09Å; F251-L257 HydrophobicContact CB-CB 4.32Å; F251-L257 HydrophobicContact CD2-CB 3.83Å; F251-L257 HydrophobicContact CD2-CD1 3.81Å; F251-L257 HydrophobicContact CD2-CG 4.44Å; F251-L257 HydrophobicContact CE2-CD1 4.01Å; F251-L257 HydrophobicContact CG-CB 4.26Å; F251-H260 HydrophobicContact CE1-CB 3.98Å; F251-H260 HydrophobicContact CE2-CB 3.69Å; F251-H260 AromaticContact CE2-CD2 3.61Å; F251-H260 AromaticContact CE2-CG 3.56Å; F251-H260 HydrophobicContact CZ-CB 3.33Å; F251-H260 AromaticContact CZ-CD2 3.75Å; F251-H260 AromaticContact CZ-CG 3.24Å; F251-H260 AromaticContact CZ-ND1 3.48Å; F251-H260 WeakPolarHBondContact CZ-ND1 3.35Å
252A86.4Confident88Confident18 Ų1869.5 Ų69.515%0.14935%0.345CS..SBendtrans-82.1-20177.700000112R232 Y240 E256R232-A252 HydrophobicContact CB-CB 4.13Å; R232-A252 WeakPolarHBondContact CD-O 3.35Å; R232-A252 PolarHBondContact NH1-O 3.31Å; Y240-A252 WeakPolarHBondContact CE2-O 3.35Å; A252-E256 PolarHBondContact N-OE2 2.84Å
253R85.3Confident87.8Confident111 Ų11174.3 Ų74.342%0.41937%0.365SS..SBendtrans-132.7153179.9-55.8169.842.2154.7-6.2112.9A229 D255 E256 L257A229-R253 HydrophobicContact CB-CG 4.37Å; R253-D255 WeakPolarHBondContact CB-OD1 3.18Å; R253-D255 IonicContact CZ-OD1 3.12Å; R253-D255 IonicContact CZ-OD2 3.67Å; R253-D255 IonicContact NE-OD1 3.8Å; R253-D255 PolarHBondContact NE-OD1 3.4Å; R253-D255 IonicContact NE-OD2 2.81Å; R253-D255 IonicContact NH2-OD1 2.84Å; R253-D255 PolarHBondContact NH2-OD1 3.47Å; R253-D255 VanDerWaalsContact NH2-OD1 3.14Å; R253-D255 IonicContact NH2-OD2 3.51Å; R253-D255 PolarHBondContact NH2-OD2 3.48Å; R253-E256 HydrophobicContact CB-CB 4.44Å; R253-E256 HydrophobicContact CB-CG 4.01Å; R253-E256 WeakPolarHBondContact CD-OE1 3.33Å; R253-E256 PolarHBondContact N-OE2 2.98Å; R253-E256 VanDerWaalsContact N-OE2 3.1Å; R253-E256 WeakPolarHBondContact O-CB 3.43Å; R253-E256 PolarHBondContact O-N 2.64Å; R253-L257 PolarHBondContact O-N 3.3Å
254S87.6Confident87.6Confident51 Ų5173 Ų7336%0.35735%0.35SS..Hα-helixtrans-71.5-32.6-179.354.90000113.5E256 L257 T258S254-E256 VanDerWaalsContact C-N 3.33Å; S254-L257 PolarHBondContact O-N 3.41Å; S254-T258 PolarHBondContact O-N 3.31Å; S254-T258 PolarHBondContact O-OG1 3.19Å
255D85.3Confident87.4Confident75 Ų7570.1 Ų70.140%0.40134%0.343SS..Hα-helixtrans-70-31.8176.362.4-54000112.1R253 T258 R259R253-D255 WeakPolarHBondContact CB-OD1 3.18Å; R253-D255 IonicContact CZ-OD1 3.12Å; R253-D255 IonicContact CZ-OD2 3.67Å; R253-D255 IonicContact NE-OD1 3.8Å; R253-D255 PolarHBondContact NE-OD1 3.4Å; R253-D255 IonicContact NE-OD2 2.81Å; R253-D255 IonicContact NH2-OD1 2.84Å; R253-D255 PolarHBondContact NH2-OD1 3.47Å; R253-D255 VanDerWaalsContact NH2-OD1 3.14Å; R253-D255 IonicContact NH2-OD2 3.51Å; R253-D255 PolarHBondContact NH2-OD2 3.48Å; D255-T258 PolarHBondContact O-N 3.5Å; D255-R259 WeakPolarHBondContact O-CB 3.42Å; D255-R259 PolarHBondContact O-N 3.41Å
256E86.3Confident87.2Confident50 Ų5064 Ų6423%0.23433%0.327CS..Hα-helixtrans-65.1-46.2171.7-66.1167.8172.400111.2F251 A252 R253 S254 R259 H260F251-E256 HydrophobicContact CB-CB 3.95Å; F251-E256 HydrophobicContact CD1-CB 3.79Å; F251-E256 HydrophobicContact CG-CB 4.09Å; A252-E256 PolarHBondContact N-OE2 2.84Å; R253-E256 HydrophobicContact CB-CB 4.44Å; R253-E256 HydrophobicContact CB-CG 4.01Å; R253-E256 WeakPolarHBondContact CD-OE1 3.33Å; R253-E256 PolarHBondContact N-OE2 2.98Å; R253-E256 VanDerWaalsContact N-OE2 3.1Å; R253-E256 WeakPolarHBondContact O-CB 3.43Å; R253-E256 PolarHBondContact O-N 2.64Å; S254-E256 VanDerWaalsContact C-N 3.33Å; E256-R259 PolarHBondContact O-N 3.21Å; E256-H260 WeakPolarHBondContact O-CB 3.33Å; E256-H260 PolarHBondContact O-N 2.89Å
257L89.9Confident87.1Confident10 Ų1060.1 Ų60.15%0.05229%0.287CS..Hα-helixtrans-59.8-45.7173.5172.362000111.1C242 F251 R253 S254 R259 H260 Y261C242-L257 HydrophobicContact CB-CD1 4.12Å; F251-L257 HydrophobicContact CB-CB 4.32Å; F251-L257 HydrophobicContact CD2-CB 3.83Å; F251-L257 HydrophobicContact CD2-CD1 3.81Å; F251-L257 HydrophobicContact CD2-CG 4.44Å; F251-L257 HydrophobicContact CE2-CD1 4.01Å; F251-L257 HydrophobicContact CG-CB 4.26Å; R253-L257 PolarHBondContact O-N 3.3Å; S254-L257 PolarHBondContact O-N 3.41Å; L257-R259 VanDerWaalsContact C-N 3.32Å; L257-R259 PolarHBondContact O-N 3.44Å; L257-H260 WeakPolarHBondContact O-CB 3.44Å; L257-H260 PolarHBondContact O-N 3.4Å; L257-H260 VanDerWaalsContact O-N 3.15Å; L257-Y261 WeakPolarHBondContact O-CB 3.45Å; L257-Y261 PolarHBondContact O-N 2.92Å
258T88.1Confident87.1Confident34 Ų3462.8 Ų62.821%0.20930%0.297CS..Hα-helixtrans-60.3-43.8179.3-56.60000111.2S254 D255 Y261 R262S254-T258 PolarHBondContact O-N 3.31Å; S254-T258 PolarHBondContact O-OG1 3.19Å; D255-T258 PolarHBondContact O-N 3.5Å; T258-Y261 PolarHBondContact O-N 3.35Å; T258-R262 PolarHBondContact O-N 2.97Å
259R85.9Confident86.9Confident60 Ų6057.7 Ų57.723%0.22628%0.278CS..Hα-helixtrans-64-41.5175.4178.6179.159.5-170.2-3.9111.5D255 E256 L257 Y261 R262D255-R259 WeakPolarHBondContact O-CB 3.42Å; D255-R259 PolarHBondContact O-N 3.41Å; E256-R259 PolarHBondContact O-N 3.21Å; L257-R259 VanDerWaalsContact C-N 3.32Å; L257-R259 PolarHBondContact O-N 3.44Å; R259-Y261 VanDerWaalsContact C-N 3.33Å; R259-R262 WeakPolarHBondContact O-CB 3.18Å; R259-R262 PolarHBondContact O-N 3.44Å
260H88.6Confident87Confident20 Ų2052.8 Ų52.89%0.09326%0.261CS..Hα-helixtrans-62.3-41.3175171.984.4000111.6C242 C247 W249 F251 E256 L257 R262 K263 H264C242-H260 VanDerWaalsContact SG-CD2 3.57Å; C247-H260 PolarHBondContact SG-NE2 3.38Å; W249-H260 AromaticContact CG-CE1 3.95Å; F251-H260 HydrophobicContact CE1-CB 3.98Å; F251-H260 HydrophobicContact CE2-CB 3.69Å; F251-H260 AromaticContact CE2-CD2 3.61Å; F251-H260 AromaticContact CE2-CG 3.56Å; F251-H260 HydrophobicContact CZ-CB 3.33Å; F251-H260 AromaticContact CZ-CD2 3.75Å; F251-H260 AromaticContact CZ-CG 3.24Å; F251-H260 AromaticContact CZ-ND1 3.48Å; F251-H260 WeakPolarHBondContact CZ-ND1 3.35Å; E256-H260 WeakPolarHBondContact O-CB 3.33Å; E256-H260 PolarHBondContact O-N 2.89Å; L257-H260 WeakPolarHBondContact O-CB 3.44Å; L257-H260 PolarHBondContact O-N 3.4Å; L257-H260 VanDerWaalsContact O-N 3.15Å; H260-R262 PolarHBondContact O-N 2.94Å; H260-K263 WeakPolarHBondContact O-CA 3.48Å; H260-K263 WeakPolarHBondContact O-CB 3.34Å; H260-K263 WeakPolarHBondContact O-CG 3.31Å; H260-K263 PolarHBondContact O-N 3.39Å; H260-H264 AromaticContact CD2-NE2 3.86Å; H260-H264 AromaticContact CE1-NE2 3.86Å; H260-H264 AromaticContact NE2-CD2 3.89Å; H260-H264 AromaticContact NE2-NE2 3.17Å; H260-H264 PolarHBondContact NE2-NE2 3.29Å; H260-H264 VanDerWaalsContact NE2-NE2 3.17Å
261Y86.1Confident87Confident47 Ų4752.5 Ų52.518%0.18426%0.263CS..Hα-helixtrans-62.3-28.1178.4-151.6-92.5000113.2P89 W244 L257 T258 R259 K263 H264 T265P89-Y261 HydrophobicContact CB-CE1 3.99Å; W244-Y261 HydrophobicContact CE3-CE1 4.35Å; W244-Y261 HydrophobicContact CE3-CE2 4.15Å; W244-Y261 AromaticContact CE3-CZ 3.85Å; W244-Y261 HydrophobicContact CZ3-CE1 4.42Å; L257-Y261 WeakPolarHBondContact O-CB 3.45Å; L257-Y261 PolarHBondContact O-N 2.92Å; T258-Y261 PolarHBondContact O-N 3.35Å; R259-Y261 VanDerWaalsContact C-N 3.33Å; Y261-K263 PolarHBondContact O-N 3.24Å; Y261-H264 PolarHBondContact O-N 3.42Å; Y261-T265 HydrophobicContact CD1-CG2 3.85Å; Y261-T265 HydrophobicContact CE1-CG2 3.73Å; Y261-T265 PolarHBondContact O-N 3.03Å; Y261-T265 VanDerWaalsContact O-N 3.15Å; Y261-T265 PolarHBondContact O-OG1 2.93Å
262R87.6Confident87.1Confident52 Ų5251.4 Ų51.420%0.19626%0.258CS..Hα-helixtrans-63.1-24.2171.2-65.6-179.8-176.3153.56.5113T258 R259 H260 T265 G266 A267 S280T258-R262 PolarHBondContact O-N 2.97Å; R259-R262 WeakPolarHBondContact O-CB 3.18Å; R259-R262 PolarHBondContact O-N 3.44Å; H260-R262 PolarHBondContact O-N 2.94Å; R262-T265 WeakPolarHBondContact CA-OG1 3.23Å; R262-G266 VanDerWaalsContact O-CA 3.31Å; R262-G266 WeakPolarHBondContact O-CA 3.48Å; R262-G266 PolarHBondContact O-N 2.92Å; R262-A267 HydrophobicContact CG-CB 4.33Å; R262-A267 PolarHBondContact O-N 3.48Å; R262-S280 PolarHBondContact NH1-O 3.48Å
263K85.7Confident87.4Confident105 Ų10557.6 Ų57.646%0.45729%0.289SS..Hα-helixtrans-70.4-36175.5-57.8-176.4176.3-175.70111.9D59 H260 Y261D59-K263 WeakPolarHBondContact O-CE 3.41Å; D59-K263 PolarHBondContact O-NZ 3.34Å; H260-K263 WeakPolarHBondContact O-CA 3.48Å; H260-K263 WeakPolarHBondContact O-CB 3.34Å; H260-K263 WeakPolarHBondContact O-CG 3.31Å; H260-K263 PolarHBondContact O-N 3.39Å; Y261-K263 PolarHBondContact O-N 3.24Å
264H86.8Confident87.5Confident55 Ų5558.8 Ų58.826%0.25530%0.299SS..Hα-helixtrans-73.3-42.4176-66.6-59000112.3W244 C247 H260 Y261W244-H264 AromaticContact CD1-CE1 3.64Å; W244-H264 AromaticContact CD1-CG 3.94Å; W244-H264 AromaticContact CD1-ND1 3.49Å; W244-H264 HydrophobicContact CD2-CB 3.41Å; W244-H264 VanDerWaalsContact CD2-CB 3.41Å; W244-H264 AromaticContact CD2-CD2 3.94Å; W244-H264 AromaticContact CD2-CG 3.45Å; W244-H264 VanDerWaalsContact CD2-CG 3.45Å; W244-H264 AromaticContact CD2-ND1 3.78Å; W244-H264 AromaticContact CE2-CG 3.86Å; W244-H264 AromaticContact CE2-ND1 3.85Å; W244-H264 HydrophobicContact CE3-CB 3.35Å; W244-H264 AromaticContact CE3-CG 3.82Å; W244-H264 HydrophobicContact CG-CB 4.06Å; W244-H264 AromaticContact CG-CD2 3.66Å; W244-H264 AromaticContact CG-CE1 3.72Å; W244-H264 AromaticContact CG-CG 3.52Å; W244-H264 AromaticContact CG-ND1 3.56Å; W244-H264 AromaticContact CG-NE2 3.81Å; W244-H264 HydrophobicContact CH2-CB 3.8Å; W244-H264 HydrophobicContact CZ2-CB 3.87Å; W244-H264 HydrophobicContact CZ3-CB 3.55Å; W244-H264 AromaticContact NE1-ND1 3.68Å; C247-H264 PolarHBondContact SG-NE2 3.17Å; H260-H264 AromaticContact CD2-NE2 3.86Å; H260-H264 AromaticContact CE1-NE2 3.86Å; H260-H264 AromaticContact NE2-CD2 3.89Å; H260-H264 AromaticContact NE2-NE2 3.17Å; H260-H264 PolarHBondContact NE2-NE2 3.29Å; H260-H264 VanDerWaalsContact NE2-NE2 3.17Å; Y261-H264 PolarHBondContact O-N 3.42Å
265T85Confident87.7Confident41 Ų4158.2 Ų58.225%0.25230%0.295SS..Hα-helixtrans-85.5-14.5-175.653.30000113.9W244 Y261 R262 A267W244-T265 HydrophobicContact CZ3-CG2 3.97Å; Y261-T265 HydrophobicContact CD1-CG2 3.85Å; Y261-T265 HydrophobicContact CE1-CG2 3.73Å; Y261-T265 PolarHBondContact O-N 3.03Å; Y261-T265 VanDerWaalsContact O-N 3.15Å; Y261-T265 PolarHBondContact O-OG1 2.93Å; R262-T265 WeakPolarHBondContact CA-OG1 3.23Å; T265-A267 PolarHBondContact O-N 3.27Å; T265-A267 WeakPolarHBondContact OG1-CB 3.36Å
266G85.3Confident87.8Confident48 Ų4861 Ų6150%0.49531%0.309SS..  trans64.814.6-171.100000113.9R262 K268R262-G266 VanDerWaalsContact O-CA 3.31Å; R262-G266 WeakPolarHBondContact O-CA 3.48Å; R262-G266 PolarHBondContact O-N 2.92Å; G266-K268 PolarHBondContact O-N 3.23Å
267A86.4Confident87.7Confident5 Ų565 Ų654%0.04132%0.323CS..  trans-67122.1-173.400000112R262 T265 P269R262-A267 HydrophobicContact CG-CB 4.33Å; R262-A267 PolarHBondContact O-N 3.48Å; T265-A267 PolarHBondContact O-N 3.27Å; T265-A267 WeakPolarHBondContact OG1-CB 3.36Å; A267-P269 WeakPolarHBondContact O-CD 3.43Å
268K87.9Confident87.6Confident70 Ų7065.3 Ų65.330%0.30433%0.326SS..  trans-121.878.7177.9-64.9-172.2-179.6-151.50110.6D57 G266 F270 C278 F279D57-K268 WeakPolarHBondContact OD2-CE 3.4Å; D57-K268 IonicContact OD2-NZ 3.4Å; D57-K268 PolarHBondContact OD2-NZ 3.32Å; G266-K268 PolarHBondContact O-N 3.23Å; K268-F270 PolarHBondContact O-N 2.83Å; K268-C278 HydrophobicContact CB-CB 3.75Å; K268-C278 HydrophobicContact CD-CB 4.39Å; K268-C278 WeakPolarHBondContact CD-O 3.37Å; K268-F279 CarbonylContact C-O 3.29Å; K268-F279 VanDerWaalsContact C-O 3.29Å; K268-F279 WeakPolarHBondContact CA-O 3.41Å
269P86.4Confident87.6Confident52 Ų5264.9 Ų64.934%0.33832%0.321SS..  trans-72.5-13.3-171.328-33.6000114.1A267A267-P269 WeakPolarHBondContact O-CD 3.43Å
270F89Confident87.6Confident61 Ų6162.4 Ų62.427%0.26831%0.312SS..EExtended strand (participates in β ladder)trans-101.398.3-174.7-58.2-77.5000110.8K268 C278 F279 S280 R281 L285K268-F270 PolarHBondContact O-N 2.83Å; F270-C278 CarbonylContact O-C 3.57Å; F270-C278 WeakPolarHBondContact O-CA 3.3Å; F270-F279 HydrophobicContact CB-CB 4.18Å; F270-F279 WeakPolarHBondContact CB-O 3.39Å; F270-F279 WeakPolarHBondContact CD2-O 3.21Å; F270-F279 PolarHBondContact N-O 3.34Å; F270-F279 PolarHBondContact O-N 3.45Å; F270-S280 WeakPolarHBondContact CE2-O 3.49Å; F270-R281 VanDerWaalsContact CD2-CA 3.4Å; F270-R281 VanDerWaalsContact CE2-CA 3.47Å; F270-L285 HydrophobicContact CB-CB 4.21Å; F270-L285 HydrophobicContact CB-CD2 4.02Å
271K90.2Very high87.5Confident112 Ų11263.5 Ų63.549%0.48732%0.316SS..EExtended strand (participates in β ladder)trans-88140.7178.2-173.5176.7178-1760111.7
272C90.1Very high87.7Confident2 Ų264.7 Ų64.71%0.01433%0.331CS..  trans-75.8138.2168176.50000111.3H274 C275 R277 F279 L285 M289C272-H274 PolarHBondContact SG-N 3.4Å; C272-C275 CarbonylContact C-O 3.5Å; C272-C275 WeakPolarHBondContact CB-O 3.31Å; C272-C275 PolarHBondContact SG-N 3.03Å; C272-C275 PolarHBondContact SG-SG 2.74Å; C272-R277 VanDerWaalsContact CB-O 3.24Å; C272-R277 WeakPolarHBondContact CB-O 3.25Å; C272-R277 PolarHBondContact N-O 2.88Å; C272-F279 HydrophobicContact CB-CE2 4.4Å; C272-L285 HydrophobicContact CB-CD1 4.06Å; C272-M289 HydrophobicContact CB-CE 3.74Å; C272-M289 WeakPolarHBondContact SG-CE 3.3Å
273N91.1Very high87.7Confident149 Ų14965.4 Ų65.480%0.79734%0.339SS*.SBendtrans-86.8-14.6178-66.6-15.9000113.2
274H88.9Confident87.8Confident136 Ų13662.1 Ų62.163%0.6333%0.325SS*.SBendtrans-100.9-17.6-179.1-64.2-72.7000113.2C272 H292C272-H274 PolarHBondContact SG-N 3.4Å; H274-H292 HydrophobicContact CB-CB 4.31Å
275C90.4Very high88Confident39 Ų3961 Ų6126%0.26432%0.321SS..SBendtrans-152.2169.5176.1720000111.3C272 R277 H288C272-C275 CarbonylContact C-O 3.5Å; C272-C275 WeakPolarHBondContact CB-O 3.31Å; C272-C275 PolarHBondContact SG-N 3.03Å; C272-C275 PolarHBondContact SG-SG 2.74Å; C275-R277 PolarHBondContact O-N 3.3Å; C275-H288 PolarHBondContact SG-NE2 2.79Å
276D87.8Confident88.2Confident132 Ų13261.6 Ų61.671%0.70633%0.33SS*.SBendtrans-76.910.6-176.3-62.9-44.1000114.7
277R84.6Confident88.4Confident135 Ų13564.3 Ų64.351%0.50933%0.332SS..  trans-73.4134.8177.8-77.6-171.1164.1137.8-5.1111.2C272 C275 F279C272-R277 VanDerWaalsContact CB-O 3.24Å; C272-R277 WeakPolarHBondContact CB-O 3.25Å; C272-R277 PolarHBondContact N-O 2.88Å; C275-R277 PolarHBondContact O-N 3.3Å; R277-F279 HydrophobicContact CB-CE2 3.92Å; R277-F279 HydrophobicContact CB-CZ 3.94Å
278C88.6Confident88.5Confident17 Ų1764.9 Ų64.912%0.11533%0.334CS..EExtended strand (participates in β ladder)trans-117.6148.1172.1-58.40000110.3C95 K268 F270C95-C278 HydrophobicContact CB-CB 3.86Å; C95-C278 WeakPolarHBondContact CB-SG 2.92Å; C95-C278 WeakPolarHBondContact SG-CB 3.37Å; C95-C278 CovalentContact SG-SG 2.03Å; C95-C278 PolarHBondContact SG-SG 2.79Å; K268-C278 HydrophobicContact CB-CB 3.75Å; K268-C278 HydrophobicContact CD-CB 4.39Å; K268-C278 WeakPolarHBondContact CD-O 3.37Å; F270-C278 CarbonylContact O-C 3.57Å; F270-C278 WeakPolarHBondContact O-CA 3.3Å
279F86.9Confident88.6Confident25 Ų2563.7 Ų63.711%0.1133%0.33CS..EExtended strand (participates in β ladder)trans-125.4146.5-176.2-57.5-88.4000110.1K268 F270 C272 R277 R281 H284 L285 H288K268-F279 CarbonylContact C-O 3.29Å; K268-F279 VanDerWaalsContact C-O 3.29Å; K268-F279 WeakPolarHBondContact CA-O 3.41Å; F270-F279 HydrophobicContact CB-CB 4.18Å; F270-F279 WeakPolarHBondContact CB-O 3.39Å; F270-F279 WeakPolarHBondContact CD2-O 3.21Å; F270-F279 PolarHBondContact N-O 3.34Å; F270-F279 PolarHBondContact O-N 3.45Å; C272-F279 HydrophobicContact CB-CE2 4.4Å; R277-F279 HydrophobicContact CB-CE2 3.92Å; R277-F279 HydrophobicContact CB-CZ 3.94Å; F279-R281 VanDerWaalsContact C-N 3.25Å; F279-H284 HydrophobicContact CB-CB 4.3Å; F279-H284 HydrophobicContact CD1-CB 3.86Å; F279-H284 HydrophobicContact CG-CB 4.32Å; F279-L285 HydrophobicContact CB-CB 4.4Å; F279-L285 HydrophobicContact CD2-CB 3.91Å; F279-L285 HydrophobicContact CD2-CD1 3.68Å; F279-L285 HydrophobicContact CD2-CG 4.42Å; F279-L285 HydrophobicContact CE2-CD1 3.85Å; F279-L285 HydrophobicContact CG-CB 4.28Å; F279-H288 HydrophobicContact CE1-CB 4.03Å; F279-H288 HydrophobicContact CE2-CB 3.94Å; F279-H288 AromaticContact CE2-CD2 3.44Å; F279-H288 VanDerWaalsContact CE2-CD2 3.44Å; F279-H288 WeakPolarHBondContact CE2-CD2 3.35Å; F279-H288 AromaticContact CE2-CG 3.76Å; F279-H288 HydrophobicContact CZ-CB 3.44Å; F279-H288 VanDerWaalsContact CZ-CB 3.44Å; F279-H288 AromaticContact CZ-CD2 3.43Å; F279-H288 VanDerWaalsContact CZ-CD2 3.43Å; F279-H288 WeakPolarHBondContact CZ-CD2 3.32Å; F279-H288 AromaticContact CZ-CG 3.29Å; F279-H288 AromaticContact CZ-ND1 3.89Å
280S86.1Confident88.8Confident7 Ų768 Ų685%0.04934%0.344CS..SBendtrans-71.5-20.5171.559.90000112.2D59 R262 F270D59-S280 WeakPolarHBondContact OD2-CB 3.39Å; D59-S280 PolarHBondContact OD2-OG 3.24Å; R262-S280 PolarHBondContact NH1-O 3.48Å; F270-S280 WeakPolarHBondContact CE2-O 3.49Å
281R87.6Confident88.9Confident44 Ų4474.5 Ų74.517%0.16637%0.367CS..SBendtrans-138149.9-175.2-60.4159.259.3163.7-5113.7D59 F270 F279 D283 H284 L285D59-R281 WeakPolarHBondContact OD1-CD 3.42Å; D59-R281 IonicContact OD1-CZ 3.63Å; D59-R281 IonicContact OD1-NE 2.84Å; D59-R281 IonicContact OD1-NH1 2.68Å; D59-R281 PolarHBondContact OD1-NH1 2.86Å; F270-R281 VanDerWaalsContact CD2-CA 3.4Å; F270-R281 VanDerWaalsContact CE2-CA 3.47Å; F279-R281 VanDerWaalsContact C-N 3.25Å; R281-D283 WeakPolarHBondContact CB-OD1 3.3Å; R281-D283 IonicContact CZ-OD1 3.73Å; R281-D283 IonicContact CZ-OD2 3.47Å; R281-D283 IonicContact NE-OD1 3.95Å; R281-D283 PolarHBondContact NE-OD1 3.4Å; R281-D283 IonicContact NE-OD2 3.8Å; R281-D283 IonicContact NH2-OD1 3.68Å; R281-D283 IonicContact NH2-OD2 2.71Å; R281-D283 PolarHBondContact NH2-OD2 2.93Å; R281-H284 PolarHBondContact NE-NE2 3.3Å; R281-L285 PolarHBondContact O-N 3.31Å
282S88.8Confident88.6Confident71 Ų7172.9 Ų72.950%0.49736%0.36SS..Hα-helixtrans-71.8-33.4-178.957.10000113.6L285 A286S282-L285 PolarHBondContact O-N 3.25Å; S282-A286 WeakPolarHBondContact O-CB 3.37Å; S282-A286 PolarHBondContact O-N 3.28Å
283D87.4Confident88.1Confident68 Ų6882 Ų8236%0.36441%0.407SS..Hα-helixtrans-68.3-37.617859-33.6000111.6R281 A286 L287R281-D283 WeakPolarHBondContact CB-OD1 3.3Å; R281-D283 IonicContact CZ-OD1 3.73Å; R281-D283 IonicContact CZ-OD2 3.47Å; R281-D283 IonicContact NE-OD1 3.95Å; R281-D283 PolarHBondContact NE-OD1 3.4Å; R281-D283 IonicContact NE-OD2 3.8Å; R281-D283 IonicContact NH2-OD1 3.68Å; R281-D283 IonicContact NH2-OD2 2.71Å; R281-D283 PolarHBondContact NH2-OD2 2.93Å; D283-A286 PolarHBondContact O-N 3.38Å; D283-L287 WeakPolarHBondContact O-CG 3.27Å; D283-L287 PolarHBondContact O-N 3.22Å
284H88.6Confident88Confident35 Ų3578.7 Ų78.716%0.16239%0.388CS..Hα-helixtrans-64.3-43.8172.6-66.1-169.5000111.2D57 D59 F279 R281 A286 L287 H288D57-H284 IonicContact OD1-ND1 2.98Å; D59-H284 IonicContact OD1-CE1 3.44Å; D59-H284 PolarHBondContact OD1-CE1 3.47Å; D59-H284 IonicContact OD1-ND1 3.14Å; D59-H284 IonicContact OD1-NE2 3.55Å; F279-H284 HydrophobicContact CB-CB 4.3Å; F279-H284 HydrophobicContact CD1-CB 3.86Å; F279-H284 HydrophobicContact CG-CB 4.32Å; R281-H284 PolarHBondContact NE-NE2 3.3Å; H284-A286 VanDerWaalsContact C-N 3.33Å; H284-A286 PolarHBondContact O-N 3.28Å; H284-L287 PolarHBondContact O-N 3.17Å; H284-H288 WeakPolarHBondContact O-CB 3.12Å; H284-H288 PolarHBondContact O-N 3.21Å
285L90.1Very high87.9Confident32 Ų3275.7 Ų75.717%0.16838%0.375CS..Hα-helixtrans-58.2-46.2172.1175.868000111.1F270 C272 F279 R281 S282 L287 H288 M289F270-L285 HydrophobicContact CB-CB 4.21Å; F270-L285 HydrophobicContact CB-CD2 4.02Å; C272-L285 HydrophobicContact CB-CD1 4.06Å; F279-L285 HydrophobicContact CB-CB 4.4Å; F279-L285 HydrophobicContact CD2-CB 3.91Å; F279-L285 HydrophobicContact CD2-CD1 3.68Å; F279-L285 HydrophobicContact CD2-CG 4.42Å; F279-L285 HydrophobicContact CE2-CD1 3.85Å; F279-L285 HydrophobicContact CG-CB 4.28Å; R281-L285 PolarHBondContact O-N 3.31Å; S282-L285 PolarHBondContact O-N 3.25Å; L285-L287 PolarHBondContact O-N 3.04Å; L285-H288 CarbonylContact O-C 3.55Å; L285-H288 WeakPolarHBondContact O-CB 3.43Å; L285-H288 PolarHBondContact O-N 3.28Å; L285-H288 VanDerWaalsContact O-N 3.16Å; L285-M289 HydrophobicContact CD1-CE 3.36Å; L285-M289 HydrophobicContact CD1-SD 4.36Å; L285-M289 HydrophobicContact CG-CE 4.24Å; L285-M289 HydrophobicContact CG-CG 4.46Å; L285-M289 WeakPolarHBondContact O-CG 3.32Å; L285-M289 PolarHBondContact O-N 3.41Å
286A89.6Confident87.8Confident54 Ų5477.7 Ų77.745%0.44638%0.381SS..Hα-helixtrans-63-40.9-178.900000112.6S282 D283 H284 M289S282-A286 WeakPolarHBondContact O-CB 3.37Å; S282-A286 PolarHBondContact O-N 3.28Å; D283-A286 PolarHBondContact O-N 3.38Å; H284-A286 VanDerWaalsContact C-N 3.33Å; H284-A286 PolarHBondContact O-N 3.28Å; A286-M289 PolarHBondContact O-N 3.26Å
287L89.8Confident87.8Confident105 Ų10574.5 Ų74.555%0.5536%0.362SS..Hα-helixtrans-65.6-40.3172.8-71.7173.8000111.6D283 H284 L285 M289 K290D283-L287 WeakPolarHBondContact O-CG 3.27Å; D283-L287 PolarHBondContact O-N 3.22Å; H284-L287 PolarHBondContact O-N 3.17Å; L285-L287 PolarHBondContact O-N 3.04Å; L287-M289 VanDerWaalsContact C-N 3.35Å; L287-M289 PolarHBondContact O-N 3.19Å; L287-K290 HydrophobicContact CD2-CD 4.44Å; L287-K290 WeakPolarHBondContact O-CB 3.43Å; L287-K290 PolarHBondContact O-N 3.06Å
288H89.1Confident88Confident16 Ų1670.8 Ų70.87%0.07435%0.353CS..Hα-helixtrans-62.9-39.7175.1174.664.5000112.4C275 F279 H284 L285 K290 R291 H292C275-H288 PolarHBondContact SG-NE2 2.79Å; F279-H288 HydrophobicContact CE1-CB 4.03Å; F279-H288 HydrophobicContact CE2-CB 3.94Å; F279-H288 AromaticContact CE2-CD2 3.44Å; F279-H288 VanDerWaalsContact CE2-CD2 3.44Å; F279-H288 WeakPolarHBondContact CE2-CD2 3.35Å; F279-H288 AromaticContact CE2-CG 3.76Å; F279-H288 HydrophobicContact CZ-CB 3.44Å; F279-H288 VanDerWaalsContact CZ-CB 3.44Å; F279-H288 AromaticContact CZ-CD2 3.43Å; F279-H288 VanDerWaalsContact CZ-CD2 3.43Å; F279-H288 WeakPolarHBondContact CZ-CD2 3.32Å; F279-H288 AromaticContact CZ-CG 3.29Å; F279-H288 AromaticContact CZ-ND1 3.89Å; H284-H288 WeakPolarHBondContact O-CB 3.12Å; H284-H288 PolarHBondContact O-N 3.21Å; L285-H288 CarbonylContact O-C 3.55Å; L285-H288 WeakPolarHBondContact O-CB 3.43Å; L285-H288 PolarHBondContact O-N 3.28Å; L285-H288 VanDerWaalsContact O-N 3.16Å; H288-K290 PolarHBondContact O-N 3.22Å; H288-R291 VanDerWaalsContact O-CB 3.31Å; H288-R291 WeakPolarHBondContact O-CB 3.02Å; H288-R291 PolarHBondContact O-N 3.19Å; H288-H292 AromaticContact CD2-NE2 3.78Å; H288-H292 AromaticContact CE1-NE2 3.3Å; H288-H292 PolarHBondContact CE1-NE2 3.26Å; H288-H292 VanDerWaalsContact CE1-NE2 3.3Å; H288-H292 AromaticContact NE2-CD2 3.72Å; H288-H292 AromaticContact NE2-CE1 3.99Å; H288-H292 AromaticContact NE2-NE2 2.93Å; H288-H292 PolarHBondContact NE2-NE2 3.44Å
289M89Confident88Confident46 Ų4674.3 Ų74.323%0.22737%0.369CS..Hα-helixtrans-57.3-33177.1-71.6-52.492.900112.3C272 L285 A286 L287 R291 H292C272-M289 HydrophobicContact CB-CE 3.74Å; C272-M289 WeakPolarHBondContact SG-CE 3.3Å; L285-M289 HydrophobicContact CD1-CE 3.36Å; L285-M289 HydrophobicContact CD1-SD 4.36Å; L285-M289 HydrophobicContact CG-CE 4.24Å; L285-M289 HydrophobicContact CG-CG 4.46Å; L285-M289 WeakPolarHBondContact O-CG 3.32Å; L285-M289 PolarHBondContact O-N 3.41Å; A286-M289 PolarHBondContact O-N 3.26Å; L287-M289 VanDerWaalsContact C-N 3.35Å; L287-M289 PolarHBondContact O-N 3.19Å; M289-R291 PolarHBondContact O-N 2.56Å; M289-R291 VanDerWaalsContact O-N 3.1Å; M289-H292 PolarHBondContact O-N 3.08Å
290K92.1Very high88Confident143 Ų14377.9 Ų77.962%0.62239%0.387SS*.THydrogen-bonded Turntrans-62.9-16.3176.9-62.1-179.6-179.8-179.50113.8L287 H288 H292L287-K290 HydrophobicContact CD2-CD 4.44Å; L287-K290 WeakPolarHBondContact O-CB 3.43Å; L287-K290 PolarHBondContact O-N 3.06Å; H288-K290 PolarHBondContact O-N 3.22Å; K290-H292 VanDerWaalsContact C-N 3.35Å
291R89.8Confident88.2Confident197 Ų19783.3 Ų83.374%0.74341%0.413SS*.THydrogen-bonded Turntrans-85.9-9.5177.7-57.2173.460.31162.4112.9H288 M289H288-R291 VanDerWaalsContact O-CB 3.31Å; H288-R291 WeakPolarHBondContact O-CB 3.02Å; H288-R291 PolarHBondContact O-N 3.19Å; M289-R291 PolarHBondContact O-N 2.56Å; M289-R291 VanDerWaalsContact O-N 3.1Å
292H84.8Confident88.2Confident77 Ų7786.6 Ų86.636%0.35643%0.434SS..  trans-102.61.4176.9-64.7-69.1000112.8H274 H288 M289 K290H274-H292 HydrophobicContact CB-CB 4.31Å; H288-H292 AromaticContact CD2-NE2 3.78Å; H288-H292 AromaticContact CE1-NE2 3.3Å; H288-H292 PolarHBondContact CE1-NE2 3.26Å; H288-H292 VanDerWaalsContact CE1-NE2 3.3Å; H288-H292 AromaticContact NE2-CD2 3.72Å; H288-H292 AromaticContact NE2-CE1 3.99Å; H288-H292 AromaticContact NE2-NE2 2.93Å; H288-H292 PolarHBondContact NE2-NE2 3.44Å; M289-H292 PolarHBondContact O-N 3.08Å; K290-H292 VanDerWaalsContact C-N 3.35Å
293I79.8Confident88.2Confident195 Ų19588 Ų88100%143%0.428SS*.  trans-107.10176.9-57172.2000107.3

Retrieved 293 of 293 residues in 58.5 ms (Link to these results)