A0A3B3V8B4_9TELE Loading...

AP-1 complex subunit mu-1

Subunit of clathrin-associated adaptor protein complex 1 that plays a role in protein sorting in the trans-Golgi network (TGN) and endosomes. The AP complexes mediate the recruitment of clathrin to membranes and the recognition of sorting signals within the cytosolic tails of transmembrane cargo molecules.

AlphaFold DB , UniProt , Accession A0A3B3V8B4, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 423 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
1M62.2Low91.5Very high101 Ų10118.4 Ų18.450%0.4989%0.094SC..  01360-77.5-169.3-8400108R22 K73 A75 S76M1-R22 PolarHBondContact SD-NH1 2.83Å; M1-R22 PolarHBondContact SD-NH2 2.81Å; M1-K73 HydrophobicContact CE-CD 3.9Å; M1-K73 HydrophobicContact SD-CD 3.72Å; M1-A75 CarbonylContact O-C 3.52Å; M1-A75 VanDerWaalsContact O-CA 3.25Å; M1-A75 WeakPolarHBondContact O-CA 3.32Å; M1-S76 PolarHBondContact O-N 3.41Å
2S80.1Confident91.7Very high1 Ų132.1 Ų32.11%0.00715%0.152CC..  trans-124.7-106.6-164.8-8.90000110.6S71 A75 L79 G121S2-S71 PolarHBondContact O-OG 2.99Å; S2-S71 VanDerWaalsContact O-OG 3.08Å; S2-A75 VanDerWaalsContact O-CB 3.25Å; S2-A75 WeakPolarHBondContact O-CB 3.23Å; S2-L79 WeakPolarHBondContact OG-CD2 3.45Å; S2-G121 WeakPolarHBondContact CB-O 3.42Å; S2-G121 PolarHBondContact OG-O 2.84Å
3A90.8Very high91.8Very high0 Ų031.1 Ų31.10%016%0.155CC..  trans-89.9144.9-179.900000111.9V6 R22 A69 M118 G121A3-V6 HydrophobicContact CB-CG2 4.03Å; A3-R22 WeakPolarHBondContact O-CD 3.05Å; A3-A69 HydrophobicContact CB-CB 4.1Å; A3-M118 HydrophobicContact CB-CE 4.44Å; A3-M118 HydrophobicContact CB-SD 4.21Å; A3-G121 VanDerWaalsContact O-CA 3.27Å; A3-G121 WeakPolarHBondContact O-CA 3.44Å
4S95Very high92Very high0 Ų038.5 Ų38.50%019%0.186CC..SBendtrans-90.5-47.4168.2-178.30000110.9N20 Y21 R22 D24 V25 T70S4-N20 PolarHBondContact O-OD1 3.48Å; S4-Y21 PolarHBondContact O-N 3.18Å; S4-R22 PolarHBondContact O-N 2.83Å; S4-D24 PolarHBondContact OG-N 3.16Å; S4-V25 PolarHBondContact OG-N 2.61Å; S4-T70 WeakPolarHBondContact CB-O 3.41Å; S4-T70 PolarHBondContact N-O 3.21Å
5A96.8Very high92.4Very high0 Ų039.5 Ų39.50%020%0.195CC..EExtended strand (participates in β ladder)trans-140.8152.7173.900000109.6Y7 R19 N20 M27 A69 T70A5-Y7 HydrophobicContact CB-CD2 4.49Å; A5-Y7 HydrophobicContact CB-CE2 3.54Å; A5-Y7 WeakPolarHBondContact CB-OH 3.39Å; A5-R19 CarbonylContact C-O 3.57Å; A5-R19 WeakPolarHBondContact CA-O 3.25Å; A5-R19 WeakPolarHBondContact CB-O 3.2Å; A5-N20 HydrophobicContact CB-CB 4.45Å; A5-M27 HydrophobicContact CB-CE 4.39Å; A5-M27 HydrophobicContact CB-SD 3.8Å; A5-A69 CarbonylContact O-C 3.55Å; A5-A69 WeakPolarHBondContact O-CA 3.36Å; A5-T70 PolarHBondContact O-N 2.9Å
6V97.5Very high92.6Very high1 Ų139.2 Ų39.21%0.00620%0.195CC..EExtended strand (participates in β ladder)trans-123.6135.1175.4178.10000108.5A3 C18 R19 Y21 V68 A69 F83 L84 I87 M114A3-V6 HydrophobicContact CB-CG2 4.03Å; V6-C18 CarbonylContact O-C 3.53Å; V6-C18 WeakPolarHBondContact O-CA 3.18Å; V6-R19 PolarHBondContact N-O 3.46Å; V6-R19 PolarHBondContact O-N 3.11Å; V6-Y21 HydrophobicContact CB-CE2 4.04Å; V6-Y21 HydrophobicContact CG2-CD2 4.36Å; V6-Y21 HydrophobicContact CG2-CE2 3.76Å; V6-V68 CarbonylContact C-O 3.56Å; V6-V68 WeakPolarHBondContact CA-O 3.47Å; V6-A69 HydrophobicContact CG2-CB 4.25Å; V6-F83 HydrophobicContact CG2-CE1 4.47Å; V6-L84 HydrophobicContact CG1-CD2 4.15Å; V6-I87 HydrophobicContact CG1-CD1 4.15Å; V6-M114 HydrophobicContact CB-CE 3.91Å; V6-M114 HydrophobicContact CG1-CE 3.88Å
7Y97.9Very high92.8Very high2 Ų237.1 Ų37.11%0.00819%0.185CC..EExtended strand (participates in β ladder)trans-127.5146.5-176.5-50.5-104.2000109.1A5 V15 C18 M27 I30 L67 V68 T70A5-Y7 HydrophobicContact CB-CD2 4.49Å; A5-Y7 HydrophobicContact CB-CE2 3.54Å; A5-Y7 WeakPolarHBondContact CB-OH 3.39Å; Y7-V15 HydrophobicContact CD1-CG1 4.42Å; Y7-V15 HydrophobicContact CD1-CG2 4.47Å; Y7-C18 HydrophobicContact CD1-CB 3.44Å; Y7-C18 VanDerWaalsContact CD1-CB 3.44Å; Y7-C18 HydrophobicContact CE1-CB 3.93Å; Y7-C18 HydrophobicContact CG-CB 4.19Å; Y7-M27 HydrophobicContact CD1-CE 4.27Å; Y7-M27 HydrophobicContact CE1-CE 3.41Å; Y7-M27 VanDerWaalsContact CE1-CE 3.41Å; Y7-M27 HydrophobicContact CE1-SD 4.02Å; Y7-M27 PolarHBondContact OH-SD 2.9Å; Y7-I30 HydrophobicContact CD1-CB 4.09Å; Y7-I30 HydrophobicContact CD1-CD1 4.21Å; Y7-I30 HydrophobicContact CD1-CG1 3.78Å; Y7-I30 HydrophobicContact CD1-CG2 4.3Å; Y7-I30 HydrophobicContact CD2-CD1 3.84Å; Y7-I30 HydrophobicContact CD2-CG1 4.32Å; Y7-I30 HydrophobicContact CE1-CB 3.9Å; Y7-I30 HydrophobicContact CE1-CG1 4.11Å; Y7-I30 HydrophobicContact CE1-CG2 4.09Å; Y7-I30 HydrophobicContact CE2-CD1 4.28Å; Y7-I30 HydrophobicContact CG-CD1 3.83Å; Y7-I30 HydrophobicContact CG-CG1 3.9Å; Y7-L67 WeakPolarHBondContact O-CA 3.32Å; Y7-V68 WeakPolarHBondContact CD2-O 3.39Å; Y7-V68 PolarHBondContact N-O 2.9Å; Y7-V68 PolarHBondContact O-N 2.86Å; Y7-T70 HydrophobicContact CD2-CG2 4.21Å; Y7-T70 HydrophobicContact CE2-CG2 3.58Å
8V97.7Very high93Very high3 Ų337.2 Ų37.22%0.01819%0.189CC..EExtended strand (participates in β ladder)trans-115.9121.9164.7-173.30000106.9L16 V17 L65 Y66 L67 I103V8-L16 WeakPolarHBondContact O-CB 3.36Å; V8-L16 PolarHBondContact O-N 3.44Å; V8-V17 HydrophobicContact CB-CG1 3.62Å; V8-V17 HydrophobicContact CG2-CG1 3.53Å; V8-V17 PolarHBondContact N-O 3.03Å; V8-V17 PolarHBondContact O-N 2.66Å; V8-L65 HydrophobicContact CG1-CB 4.3Å; V8-L65 HydrophobicContact CG1-CD1 4.16Å; V8-L65 HydrophobicContact CG1-CD2 4.14Å; V8-L65 HydrophobicContact CG1-CG 4.45Å; V8-Y66 CarbonylContact C-O 3.56Å; V8-Y66 WeakPolarHBondContact CA-O 3.41Å; V8-L67 HydrophobicContact CG2-CG 4.42Å; V8-I103 HydrophobicContact CG1-CD1 4.31Å; V8-I103 HydrophobicContact CG1-CG1 4.24Å
9L97.7Very high93.2Very high1 Ų139.7 Ų39.71%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-113.9155.3-178.8-40.4177000110.5K14 V15 I30 F33 L65 Y66 V68L9-K14 CarbonylContact C-O 3.57Å; L9-K14 WeakPolarHBondContact CA-O 3.32Å; L9-V15 HydrophobicContact CD2-CB 4.07Å; L9-V15 HydrophobicContact CD2-CG1 4.44Å; L9-V15 HydrophobicContact CD2-CG2 3.59Å; L9-I30 HydrophobicContact CD1-CD1 4.16Å; L9-I30 HydrophobicContact CD1-CG1 4.27Å; L9-I30 HydrophobicContact CD2-CD1 4.41Å; L9-I30 HydrophobicContact CD2-CG1 3.93Å; L9-F33 HydrophobicContact CD1-CD1 3.49Å; L9-F33 VanDerWaalsContact CD1-CD1 3.49Å; L9-F33 HydrophobicContact CD1-CE1 3.85Å; L9-F33 HydrophobicContact CD1-CG 4.41Å; L9-L65 CarbonylContact O-C 3.58Å; L9-L65 VanDerWaalsContact O-CA 3.3Å; L9-L65 WeakPolarHBondContact O-CA 3.48Å; L9-Y66 PolarHBondContact N-O 2.89Å; L9-Y66 PolarHBondContact O-N 2.83Å; L9-V68 HydrophobicContact CD1-CG2 3.82Å; L9-V68 HydrophobicContact CG-CG2 4.24Å
10D96.3Very high93.3Very high10 Ų1040.6 Ų40.65%0.05320%0.201CC..EExtended strand (participates in β ladder)trans-79.5178.5165.57112.3000112K12 G13 K14 L16 Y66D10-K12 PolarHBondContact O-N 2.88Å; D10-K12 VanDerWaalsContact O-N 3.16Å; D10-K12 VanDerWaalsContact OD1-CA 3.3Å; D10-K12 WeakPolarHBondContact OD1-CA 3.49Å; D10-K12 WeakPolarHBondContact OD1-CB 3.5Å; D10-K12 PolarHBondContact OD1-N 2.91Å; D10-G13 PolarHBondContact O-N 2.95Å; D10-G13 PolarHBondContact OD1-N 3.42Å; D10-K14 PolarHBondContact N-O 3.01Å; D10-K14 PolarHBondContact OD1-N 3.01Å; D10-K14 WeakPolarHBondContact OD2-CB 3.25Å; D10-L16 HydrophobicContact CB-CD1 4.24Å; D10-L16 HydrophobicContact CB-CD2 4.28Å; D10-L16 HydrophobicContact CB-CG 4.31Å; D10-Y66 WeakPolarHBondContact O-CD2 3.32Å
11L94.8Very high93.4Very high83 Ų8339.8 Ų39.844%0.43520%0.196SC..THydrogen-bonded Turntrans-63.3-17.2177.4-68.8179.7000114.5G13 M34 N64 Y66L11-G13 VanDerWaalsContact C-N 3.34Å; L11-M34 WeakPolarHBondContact O-CE 3.11Å; L11-N64 HydrophobicContact CD1-CB 3.98Å; L11-N64 HydrophobicContact CG-CB 4Å; L11-N64 PolarHBondContact N-O 2.91Å; L11-Y66 HydrophobicContact CD2-CE2 4.15Å
12K93.8Very high94.9Very high183 Ų18336.6 Ų36.680%0.79618%0.178SC*.THydrogen-bonded Turntrans-91.5-1.1177.4-57.4-179.5-178.1176.50112D10D10-K12 PolarHBondContact O-N 2.88Å; D10-K12 VanDerWaalsContact O-N 3.16Å; D10-K12 VanDerWaalsContact OD1-CA 3.3Å; D10-K12 WeakPolarHBondContact OD1-CA 3.49Å; D10-K12 WeakPolarHBondContact OD1-CB 3.5Å; D10-K12 PolarHBondContact OD1-N 2.91Å
13G92.7Very high95.5Very high19 Ų1939 Ų3920%0.19620%0.203CC..  trans82.29.1-177.100000114.2D10 L11D10-G13 PolarHBondContact O-N 2.95Å; D10-G13 PolarHBondContact OD1-N 3.42Å; L11-G13 VanDerWaalsContact C-N 3.34Å
14K95.3Very high95.5Very high135 Ų13541.5 Ų41.559%0.58722%0.217SC*.  trans-77.4134.1176.9-176.4-177.3174.8-177.80110.2L9 D10 L16L9-K14 CarbonylContact C-O 3.57Å; L9-K14 WeakPolarHBondContact CA-O 3.32Å; D10-K14 PolarHBondContact N-O 3.01Å; D10-K14 PolarHBondContact OD1-N 3.01Å; D10-K14 WeakPolarHBondContact OD2-CB 3.25Å; K14-L16 PolarHBondContact O-N 2.88Å
15V97.3Very high95.4Very high53 Ų5341.8 Ų41.832%0.32122%0.218SC..EExtended strand (participates in β ladder)trans-66.7119.6175.6-174.50000110.5Y7 L9 C18 I30Y7-V15 HydrophobicContact CD1-CG1 4.42Å; Y7-V15 HydrophobicContact CD1-CG2 4.47Å; L9-V15 HydrophobicContact CD2-CB 4.07Å; L9-V15 HydrophobicContact CD2-CG1 4.44Å; L9-V15 HydrophobicContact CD2-CG2 3.59Å; V15-C18 HydrophobicContact CG1-CB 3.81Å; V15-I30 HydrophobicContact CG2-CG1 4.3Å; V15-I30 HydrophobicContact CG2-CG2 3.78Å
16L96Very high95.4Very high35 Ų3546.8 Ų46.818%0.18325%0.245CC..EExtended strand (participates in β ladder)trans-89-46.1172.2-60.7175.3000111V8 D10 K14 L65 E100 I103V8-L16 WeakPolarHBondContact O-CB 3.36Å; V8-L16 PolarHBondContact O-N 3.44Å; D10-L16 HydrophobicContact CB-CD1 4.24Å; D10-L16 HydrophobicContact CB-CD2 4.28Å; D10-L16 HydrophobicContact CB-CG 4.31Å; K14-L16 PolarHBondContact O-N 2.88Å; L16-L65 HydrophobicContact CD1-CD2 3.45Å; L16-L65 VanDerWaalsContact CD1-CD2 3.45Å; L16-E100 HydrophobicContact CD1-CB 4.26Å; L16-E100 HydrophobicContact CD1-CG 3.88Å; L16-E100 HydrophobicContact CD2-CG 3.96Å; L16-I103 HydrophobicContact CB-CG2 3.75Å; L16-I103 HydrophobicContact CD1-CB 4.42Å; L16-I103 HydrophobicContact CD1-CG2 4.47Å
17V96.3Very high95.2Very high4 Ų449.1 Ų49.12%0.02426%0.257CS..EExtended strand (participates in β ladder)trans-146.2148.9173.263.30000109.5V8 I103 I110 Y111 M114V8-V17 HydrophobicContact CB-CG1 3.62Å; V8-V17 HydrophobicContact CG2-CG1 3.53Å; V8-V17 PolarHBondContact N-O 3.03Å; V8-V17 PolarHBondContact O-N 2.66Å; V17-I103 HydrophobicContact CB-CG2 4.21Å; V17-I103 HydrophobicContact CG1-CG2 3.86Å; V17-I110 HydrophobicContact CG1-CG2 4.07Å; V17-I110 HydrophobicContact CG2-CG2 4.09Å; V17-Y111 HydrophobicContact CG2-CD1 4.34Å; V17-Y111 HydrophobicContact CG2-CE1 3.82Å; V17-Y111 HydrophobicContact CG2-CE2 4.04Å; V17-M114 HydrophobicContact CG1-SD 4.41Å; V17-M114 HydrophobicContact CG2-SD 4.12Å
18C96Very high95.1Very high38 Ų3851.3 Ų51.326%0.25727%0.272SS..EExtended strand (participates in β ladder)trans-145.2145.8175.166.20000111.4V6 Y7 V15 M27 Y111V6-C18 CarbonylContact O-C 3.53Å; V6-C18 WeakPolarHBondContact O-CA 3.18Å; Y7-C18 HydrophobicContact CD1-CB 3.44Å; Y7-C18 VanDerWaalsContact CD1-CB 3.44Å; Y7-C18 HydrophobicContact CE1-CB 3.93Å; Y7-C18 HydrophobicContact CG-CB 4.19Å; V15-C18 HydrophobicContact CG1-CB 3.81Å; C18-M27 HydrophobicContact CB-CE 3.66Å; C18-M27 WeakPolarHBondContact SG-CE 2.96Å; C18-Y111 WeakPolarHBondContact O-CE1 3.35Å
19R96.3Very high95Very high86 Ų8653.3 Ų53.333%0.32528%0.281SS..EExtended strand (participates in β ladder)trans-131.3123.8174.2-172.267.4-178.8142.50.7109.3A5 V6 Y21 M114 D115A5-R19 CarbonylContact C-O 3.57Å; A5-R19 WeakPolarHBondContact CA-O 3.25Å; A5-R19 WeakPolarHBondContact CB-O 3.2Å; V6-R19 PolarHBondContact N-O 3.46Å; V6-R19 PolarHBondContact O-N 3.11Å; R19-Y21 HydrophobicContact CB-CE2 4.07Å; R19-Y21 HydrophobicContact CG-CD1 4.14Å; R19-Y21 HydrophobicContact CG-CD2 4.47Å; R19-Y21 HydrophobicContact CG-CE1 3.57Å; R19-Y21 HydrophobicContact CG-CE2 3.95Å; R19-Y21 VanDerWaalsContact CG-CZ 3.49Å; R19-M114 HydrophobicContact CB-CB 4.27Å; R19-M114 HydrophobicContact CB-CE 3.46Å; R19-M114 VanDerWaalsContact CB-CE 3.46Å; R19-M114 HydrophobicContact CB-SD 4.07Å; R19-M114 HydrophobicContact CG-CB 4.29Å; R19-D115 IonicContact CZ-OD1 2.85Å; R19-D115 IonicContact NE-OD1 3.66Å; R19-D115 PolarHBondContact NE-OD1 3.23Å; R19-D115 IonicContact NH2-OD1 2.93Å; R19-D115 PolarHBondContact NH2-OD1 3.1Å
20N96.4Very high94.9Very high57 Ų5753.8 Ų53.831%0.30528%0.284SS..EExtended strand (participates in β ladder)trans-96120.5172.6-167.3-5.3000109.4S4 A5 R22 G23 M27S4-N20 PolarHBondContact O-OD1 3.48Å; A5-N20 HydrophobicContact CB-CB 4.45Å; N20-R22 PolarHBondContact OD1-N 2.67Å; N20-G23 PolarHBondContact OD1-N 2.99Å; N20-M27 HydrophobicContact CB-CE 4.2Å; N20-M27 HydrophobicContact CB-SD 3.69Å
21Y95.6Very high94.9Very high24 Ų2460.6 Ų60.69%0.09432%0.315CS..SBendtrans-98.7-24-178.6-63.6-75.2000113S4 V6 R19 M114 M118 F120S4-Y21 PolarHBondContact O-N 3.18Å; V6-Y21 HydrophobicContact CB-CE2 4.04Å; V6-Y21 HydrophobicContact CG2-CD2 4.36Å; V6-Y21 HydrophobicContact CG2-CE2 3.76Å; R19-Y21 HydrophobicContact CB-CE2 4.07Å; R19-Y21 HydrophobicContact CG-CD1 4.14Å; R19-Y21 HydrophobicContact CG-CD2 4.47Å; R19-Y21 HydrophobicContact CG-CE1 3.57Å; R19-Y21 HydrophobicContact CG-CE2 3.95Å; R19-Y21 VanDerWaalsContact CG-CZ 3.49Å; Y21-M114 VanDerWaalsContact CE1-O 3.32Å; Y21-M114 WeakPolarHBondContact CE1-O 3.23Å; Y21-M114 PolarHBondContact OH-O 2.77Å; Y21-M118 HydrophobicContact CD1-CB 4.33Å; Y21-M118 HydrophobicContact CD1-CG 3.93Å; Y21-M118 VanDerWaalsContact CD1-O 3.32Å; Y21-M118 WeakPolarHBondContact CD1-O 3.43Å; Y21-M118 HydrophobicContact CD1-SD 4.38Å; Y21-M118 HydrophobicContact CD2-CG 4.29Å; Y21-M118 HydrophobicContact CD2-SD 3.65Å; Y21-M118 HydrophobicContact CE1-CB 3.77Å; Y21-M118 HydrophobicContact CE1-CG 3.86Å; Y21-M118 WeakPolarHBondContact CE1-O 3.47Å; Y21-M118 HydrophobicContact CE1-SD 4.35Å; Y21-M118 HydrophobicContact CE2-CB 4.46Å; Y21-M118 HydrophobicContact CE2-CG 4.2Å; Y21-M118 HydrophobicContact CE2-SD 3.6Å; Y21-M118 VanDerWaalsContact CE2-SD 3.6Å; Y21-M118 HydrophobicContact CG-CG 4.14Å; Y21-M118 HydrophobicContact CG-SD 4.04Å; Y21-F120 WeakPolarHBondContact O-CD2 3.24Å
22R92.8Very high94.9Very high34 Ų3460.2 Ų60.213%0.12831%0.311CS..SBendtrans-129.8-27.1-169.5-58.6-171.367.3-176.84115.2M1 A3 S4 N20 D24 F120M1-R22 PolarHBondContact SD-NH1 2.83Å; M1-R22 PolarHBondContact SD-NH2 2.81Å; A3-R22 WeakPolarHBondContact O-CD 3.05Å; S4-R22 PolarHBondContact O-N 2.83Å; N20-R22 PolarHBondContact OD1-N 2.67Å; R22-D24 HydrophobicContact CB-CB 4.41Å; R22-D24 IonicContact CZ-OD2 3.8Å; R22-D24 IonicContact NE-OD2 3.79Å; R22-D24 PolarHBondContact NE-OD2 2.9Å; R22-D24 IonicContact NH1-OD2 3.65Å; R22-D24 IonicContact NH2-OD2 3.1Å; R22-D24 PolarHBondContact NH2-OD2 2.92Å; R22-D24 PolarHBondContact O-N 3.42Å; R22-F120 HydrophobicContact CB-CD2 4.4Å; R22-F120 HydrophobicContact CB-CE2 4.14Å; R22-F120 HydrophobicContact CG-CD2 3.88Å; R22-F120 HydrophobicContact CG-CE2 3.98Å; R22-F120 HydrophobicContact CG-CG 4.29Å; R22-F120 HydrophobicContact CG-CZ 4.48Å
23G91.9Very high95.1Very high51 Ų5151.5 Ų51.553%0.52627%0.273SS..SBendtrans71.510.6-172.100000114.9N20 V25N20-G23 PolarHBondContact OD1-N 2.99Å; G23-V25 VanDerWaalsContact C-N 3.32Å
24D91.6Very high95.2Very high53 Ų5352.4 Ų52.428%0.28327%0.273SS..SBendtrans-77.2-18.3-177.7-77.2-16.4000113.1S4 R22 K73S4-D24 PolarHBondContact OG-N 3.16Å; R22-D24 HydrophobicContact CB-CB 4.41Å; R22-D24 IonicContact CZ-OD2 3.8Å; R22-D24 IonicContact NE-OD2 3.79Å; R22-D24 PolarHBondContact NE-OD2 2.9Å; R22-D24 IonicContact NH1-OD2 3.65Å; R22-D24 IonicContact NH2-OD2 3.1Å; R22-D24 PolarHBondContact NH2-OD2 2.92Å; R22-D24 PolarHBondContact O-N 3.42Å; D24-K73 IonicContact OD1-NZ 3.35Å; D24-K73 IonicContact OD2-NZ 2.7Å; D24-K73 PolarHBondContact OD2-NZ 3.32Å
25V93.9Very high95.2Very high6 Ų650 Ų504%0.03627%0.269CS..SBendtrans-126134-178.9-179.10000107.9S4 G23 E29 V55 K72S4-V25 PolarHBondContact OG-N 2.61Å; G23-V25 VanDerWaalsContact C-N 3.32Å; V25-E29 HydrophobicContact CG1-CB 4.11Å; V25-E29 HydrophobicContact CG1-CG 4.1Å; V25-V55 HydrophobicContact CG1-CG1 3.8Å; V25-V55 HydrophobicContact CG1-CG2 4.06Å; V25-V55 HydrophobicContact CG2-CG1 4.43Å; V25-K72 HydrophobicContact CG2-CB 4Å
26D95.1Very high95.1Very high104 Ų10449.1 Ų49.156%0.55626%0.262SS*.  trans-66.5137173.6-170.2-5.6000109.6S28 E29D26-S28 PolarHBondContact O-N 3.35Å; D26-S28 PolarHBondContact OD1-N 3.32Å; D26-S28 PolarHBondContact OD1-OG 2.85Å; D26-S28 PolarHBondContact OD2-OG 2.82Å; D26-E29 HydrophobicContact CB-CG 4.31Å; D26-E29 WeakPolarHBondContact O-CB 3.24Å; D26-E29 PolarHBondContact O-N 3.31Å
27M94.3Very high95.1Very high51 Ų5147.6 Ų47.625%0.25125%0.254SS..G310 helixtrans-65.2-24.4-178.8-61.9-62.9-76.400112A5 Y7 C18 N20 E29 I30A5-M27 HydrophobicContact CB-CE 4.39Å; A5-M27 HydrophobicContact CB-SD 3.8Å; Y7-M27 HydrophobicContact CD1-CE 4.27Å; Y7-M27 HydrophobicContact CE1-CE 3.41Å; Y7-M27 VanDerWaalsContact CE1-CE 3.41Å; Y7-M27 HydrophobicContact CE1-SD 4.02Å; Y7-M27 PolarHBondContact OH-SD 2.9Å; C18-M27 HydrophobicContact CB-CE 3.66Å; C18-M27 WeakPolarHBondContact SG-CE 2.96Å; N20-M27 HydrophobicContact CB-CE 4.2Å; N20-M27 HydrophobicContact CB-SD 3.69Å; M27-E29 VanDerWaalsContact C-N 3.26Å; M27-E29 PolarHBondContact O-N 2.51Å; M27-I30 WeakPolarHBondContact O-CG2 3.34Å
28S94.8Very high95Very high47 Ų4751.7 Ų51.733%0.32927%0.274SS..G310 helixtrans-66.2-22.4175.863.60000113.8D26 I30 E31D26-S28 PolarHBondContact O-N 3.35Å; D26-S28 PolarHBondContact OD1-N 3.32Å; D26-S28 PolarHBondContact OD1-OG 2.85Å; D26-S28 PolarHBondContact OD2-OG 2.82Å; S28-I30 PolarHBondContact O-N 3.18Å; S28-E31 WeakPolarHBondContact O-CB 3.49Å; S28-E31 WeakPolarHBondContact O-CG 3.16Å; S28-E31 PolarHBondContact O-N 3.31Å
29E95.5Very high94.9Very high46 Ų4653.3 Ų53.322%0.21528%0.281CS..G310 helixtrans-59.8-24.2179.4-71-73.616100112.6V25 D26 M27 E31 H32 H52 V55 F57V25-E29 HydrophobicContact CG1-CB 4.11Å; V25-E29 HydrophobicContact CG1-CG 4.1Å; D26-E29 HydrophobicContact CB-CG 4.31Å; D26-E29 WeakPolarHBondContact O-CB 3.24Å; D26-E29 PolarHBondContact O-N 3.31Å; M27-E29 VanDerWaalsContact C-N 3.26Å; M27-E29 PolarHBondContact O-N 2.51Å; E29-E31 PolarHBondContact O-N 3.11Å; E29-H32 PolarHBondContact O-N 2.85Å; E29-H52 IonicContact OE2-CE1 2.83Å; E29-H52 IonicContact OE2-CG 3.7Å; E29-H52 IonicContact OE2-ND1 3.96Å; E29-H52 PolarHBondContact OE2-ND1 2.8Å; E29-V55 HydrophobicContact CG-CG2 4.16Å; E29-F57 HydrophobicContact CB-CZ 4.33Å; E29-F57 WeakPolarHBondContact O-CE1 3.42Å; E29-F57 WeakPolarHBondContact O-CZ 3.41Å
30I96.5Very high94.8Very high11 Ų1152.7 Ų52.76%0.05628%0.28CS..G310 helixtrans-61.9-24.4177.7-161.559.8000113Y7 L9 V15 M27 S28 H32 F33 F57 V68Y7-I30 HydrophobicContact CD1-CB 4.09Å; Y7-I30 HydrophobicContact CD1-CD1 4.21Å; Y7-I30 HydrophobicContact CD1-CG1 3.78Å; Y7-I30 HydrophobicContact CD1-CG2 4.3Å; Y7-I30 HydrophobicContact CD2-CD1 3.84Å; Y7-I30 HydrophobicContact CD2-CG1 4.32Å; Y7-I30 HydrophobicContact CE1-CB 3.9Å; Y7-I30 HydrophobicContact CE1-CG1 4.11Å; Y7-I30 HydrophobicContact CE1-CG2 4.09Å; Y7-I30 HydrophobicContact CE2-CD1 4.28Å; Y7-I30 HydrophobicContact CG-CD1 3.83Å; Y7-I30 HydrophobicContact CG-CG1 3.9Å; L9-I30 HydrophobicContact CD1-CD1 4.16Å; L9-I30 HydrophobicContact CD1-CG1 4.27Å; L9-I30 HydrophobicContact CD2-CD1 4.41Å; L9-I30 HydrophobicContact CD2-CG1 3.93Å; V15-I30 HydrophobicContact CG2-CG1 4.3Å; V15-I30 HydrophobicContact CG2-CG2 3.78Å; M27-I30 WeakPolarHBondContact O-CG2 3.34Å; S28-I30 PolarHBondContact O-N 3.18Å; I30-H32 PolarHBondContact O-N 2.88Å; I30-F33 HydrophobicContact CD1-CB 4.15Å; I30-F33 VanDerWaalsContact O-CB 3.23Å; I30-F33 WeakPolarHBondContact O-CB 3.19Å; I30-F33 PolarHBondContact O-N 2.79Å; I30-F33 VanDerWaalsContact O-N 3.1Å; I30-F57 HydrophobicContact CD1-CD1 4.41Å; I30-F57 HydrophobicContact CD1-CE1 4.48Å; I30-V68 HydrophobicContact CD1-CB 4.12Å; I30-V68 HydrophobicContact CD1-CG1 3.89Å; I30-V68 HydrophobicContact CD1-CG2 4.5Å
31E95.2Very high94.6Very high152 Ų15255.9 Ų55.971%0.7129%0.293SS*.Hα-helixtrans-64.1-26.3179.5-64.4179.8178.200112.5S28 E29 F33S28-E31 WeakPolarHBondContact O-CB 3.49Å; S28-E31 WeakPolarHBondContact O-CG 3.16Å; S28-E31 PolarHBondContact O-N 3.31Å; E29-E31 PolarHBondContact O-N 3.11Å; E31-F33 VanDerWaalsContact C-N 3.34Å
32H96Very high94.5Very high75 Ų7562.3 Ų62.335%0.34732%0.324SS..Hα-helixtrans-80.4-16178.1-58.584.6000113E29 I30 M34 L36 H52E29-H32 PolarHBondContact O-N 2.85Å; I30-H32 PolarHBondContact O-N 2.88Å; H32-M34 PolarHBondContact O-N 2.82Å; H32-L36 HydrophobicContact CB-CD1 4.29Å; H32-L36 WeakPolarHBondContact O-CB 3.2Å; H32-L36 VanDerWaalsContact O-CG 3.27Å; H32-L36 WeakPolarHBondContact O-CG 3.38Å; H32-L36 PolarHBondContact O-N 2.97Å; H32-L36 VanDerWaalsContact O-N 3.1Å; H32-H52 AromaticContact CD2-CE1 3.54Å; H32-H52 AromaticContact CD2-NE2 3.53Å; H32-H52 AromaticContact CE1-CE1 3.81Å; H32-H52 AromaticContact CG-CE1 3.73Å; H32-H52 AromaticContact CG-ND1 3.92Å; H32-H52 AromaticContact CG-NE2 3.98Å; H32-H52 AromaticContact ND1-CE1 3.88Å; H32-H52 AromaticContact NE2-CE1 3.6Å; H32-H52 AromaticContact NE2-NE2 3.91Å
33F96.8Very high94.6Very high1 Ų166.4 Ų66.40%0.00435%0.345CS..Hα-helixtrans-59.7-48.6-172.3170-103.1000112.5L9 I30 E31 L36 L37 L50 F57 W59 Y66 V68L9-F33 HydrophobicContact CD1-CD1 3.49Å; L9-F33 VanDerWaalsContact CD1-CD1 3.49Å; L9-F33 HydrophobicContact CD1-CE1 3.85Å; L9-F33 HydrophobicContact CD1-CG 4.41Å; I30-F33 HydrophobicContact CD1-CB 4.15Å; I30-F33 VanDerWaalsContact O-CB 3.23Å; I30-F33 WeakPolarHBondContact O-CB 3.19Å; I30-F33 PolarHBondContact O-N 2.79Å; I30-F33 VanDerWaalsContact O-N 3.1Å; E31-F33 VanDerWaalsContact C-N 3.34Å; F33-L36 PolarHBondContact O-N 3.03Å; F33-L37 HydrophobicContact CE1-CD2 4.24Å; F33-L37 HydrophobicContact CZ-CD2 4.25Å; F33-L37 WeakPolarHBondContact O-CB 3.24Å; F33-L37 PolarHBondContact O-N 2.9Å; F33-L50 HydrophobicContact CD2-CD1 3.92Å; F33-L50 HydrophobicContact CE2-CD1 3.74Å; F33-F57 HydrophobicContact CB-CD1 4.21Å; F33-F57 HydrophobicContact CB-CE1 4.35Å; F33-F57 HydrophobicContact CD2-CB 3.85Å; F33-F57 HydrophobicContact CD2-CD1 4.13Å; F33-F57 HydrophobicContact CD2-CG 4.05Å; F33-F57 HydrophobicContact CE2-CB 4.26Å; F33-W59 HydrophobicContact CE2-CB 3.76Å; F33-W59 AromaticContact CE2-CD1 3.63Å; F33-W59 HydrophobicContact CE2-CD2 4.25Å; F33-W59 AromaticContact CE2-CG 3.58Å; F33-W59 HydrophobicContact CE2-CG 3.58Å; F33-W59 HydrophobicContact CZ-CB 3.76Å; F33-W59 AromaticContact CZ-CD2 3.92Å; F33-W59 HydrophobicContact CZ-CD2 3.92Å; F33-W59 HydrophobicContact CZ-CE3 4.39Å; F33-W59 AromaticContact CZ-CG 3.62Å; F33-W59 HydrophobicContact CZ-CG 3.62Å; F33-Y66 HydrophobicContact CE1-CG 4.3Å; F33-V68 HydrophobicContact CD1-CG2 4.11Å; F33-V68 HydrophobicContact CD2-CG1 4.13Å; F33-V68 HydrophobicContact CD2-CG2 4.37Å; F33-V68 HydrophobicContact CE1-CG2 3.74Å; F33-V68 HydrophobicContact CE2-CG1 4.2Å; F33-V68 HydrophobicContact CE2-CG2 4.02Å; F33-V68 HydrophobicContact CG-CG2 4.41Å; F33-V68 HydrophobicContact CZ-CG2 3.69Å
34M95.8Very high94.6Very high38 Ų3867.1 Ų67.119%0.18735%0.352CS..Hα-helixtrans-69.1-40.6-173.6-165.365.7-171.200111.8L11 H32 L37 M38 Y66L11-M34 WeakPolarHBondContact O-CE 3.11Å; H32-M34 PolarHBondContact O-N 2.82Å; M34-L37 WeakPolarHBondContact O-CB 3.46Å; M34-L37 PolarHBondContact O-N 3.12Å; M34-L37 HydrophobicContact SD-CD2 4.04Å; M34-M38 HydrophobicContact CE-CG 4.42Å; M34-M38 HydrophobicContact CE-SD 4.49Å; M34-M38 HydrophobicContact CG-SD 4.46Å; M34-M38 WeakPolarHBondContact O-CG 3.48Å; M34-M38 PolarHBondContact O-N 2.75Å; M34-Y66 HydrophobicContact SD-CE2 4.36Å
35T94.9Very high94.7Very high83 Ų8368 Ų6851%0.50936%0.36SS..Hα-helixtrans-60.2-48.5174.9-48.40000110.8L37 M38 D39T35-L37 VanDerWaalsContact C-N 3.28Å; T35-L37 PolarHBondContact O-N 3.42Å; T35-M38 PolarHBondContact O-N 3.08Å; T35-D39 PolarHBondContact O-N 2.68Å
36L95.3Very high94.7Very high35 Ų3571.8 Ų71.818%0.18338%0.379CS..Hα-helixtrans-62.7-35.2177.6-70.6170.2000112.9H32 F33 K40 L50 H52 F57H32-L36 HydrophobicContact CB-CD1 4.29Å; H32-L36 WeakPolarHBondContact O-CB 3.2Å; H32-L36 VanDerWaalsContact O-CG 3.27Å; H32-L36 WeakPolarHBondContact O-CG 3.38Å; H32-L36 PolarHBondContact O-N 2.97Å; H32-L36 VanDerWaalsContact O-N 3.1Å; F33-L36 PolarHBondContact O-N 3.03Å; L36-K40 WeakPolarHBondContact O-CB 3.43Å; L36-K40 WeakPolarHBondContact O-CG 3.27Å; L36-K40 PolarHBondContact O-N 2.87Å; L36-K40 VanDerWaalsContact O-N 3.08Å; L36-L50 HydrophobicContact CB-CD1 4.23Å; L36-H52 HydrophobicContact CD1-CB 3.82Å; L36-F57 HydrophobicContact CD1-CE2 4.34Å
37L95.5Very high94.6Very high3 Ų368.9 Ų68.92%0.01637%0.367CS..Hα-helixtrans-64.4-47.5176.8-177.269.9000110.6F33 M34 T35 K40 E41 L46 L50 W59 Y66F33-L37 HydrophobicContact CE1-CD2 4.24Å; F33-L37 HydrophobicContact CZ-CD2 4.25Å; F33-L37 WeakPolarHBondContact O-CB 3.24Å; F33-L37 PolarHBondContact O-N 2.9Å; M34-L37 WeakPolarHBondContact O-CB 3.46Å; M34-L37 PolarHBondContact O-N 3.12Å; M34-L37 HydrophobicContact SD-CD2 4.04Å; T35-L37 VanDerWaalsContact C-N 3.28Å; T35-L37 PolarHBondContact O-N 3.42Å; L37-K40 PolarHBondContact O-N 2.81Å; L37-E41 WeakPolarHBondContact O-CB 3.43Å; L37-E41 PolarHBondContact O-N 3.37Å; L37-L46 HydrophobicContact CD1-CD1 3.52Å; L37-L50 HydrophobicContact CB-CD1 3.92Å; L37-L50 HydrophobicContact CD1-CD1 4.05Å; L37-W59 HydrophobicContact CD1-CD2 4.39Å; L37-W59 HydrophobicContact CD1-CH2 3.69Å; L37-W59 HydrophobicContact CD1-CZ2 3.24Å; L37-W59 HydrophobicContact CD1-CZ3 4.43Å; L37-Y66 HydrophobicContact CD2-CE1 3.91Å
38M94.3Very high94.7Very high90 Ų9069.9 Ų69.944%0.44338%0.377SS..Hα-helixtrans-63.6-47.8178.2-68.7177.667.800111.5M34 T35 K40 E41 E42M34-M38 HydrophobicContact CE-CG 4.42Å; M34-M38 HydrophobicContact CE-SD 4.49Å; M34-M38 HydrophobicContact CG-SD 4.46Å; M34-M38 WeakPolarHBondContact O-CG 3.48Å; M34-M38 PolarHBondContact O-N 2.75Å; T35-M38 PolarHBondContact O-N 3.08Å; M38-K40 VanDerWaalsContact C-N 3.27Å; M38-K40 PolarHBondContact O-N 2.81Å; M38-E41 PolarHBondContact O-N 3.15Å; M38-E41 VanDerWaalsContact O-N 3.12Å; M38-E42 WeakPolarHBondContact O-CG 3.43Å; M38-E42 PolarHBondContact O-N 2.87Å
39D94.6Very high94.8Very high73 Ų7370.5 Ų70.539%0.3938%0.377SS..Hα-helixtrans-56.3-43.8177.4-66.7-15.6000111T35 E43T35-D39 PolarHBondContact O-N 2.68Å; D39-E43 WeakPolarHBondContact O-CB 3.27Å; D39-E43 VanDerWaalsContact O-CG 3.25Å; D39-E43 WeakPolarHBondContact O-CG 3.35Å; D39-E43 PolarHBondContact O-N 3.47Å
40K93.6Very high94.9Very high72 Ų7268.7 Ų68.731%0.31337%0.368SS..Hα-helixtrans-72.6-30.4179.8-69.6-70.3161.7-148.60113.6L36 L37 M38 E43 G44 T45 L46 L50L36-K40 WeakPolarHBondContact O-CB 3.43Å; L36-K40 WeakPolarHBondContact O-CG 3.27Å; L36-K40 PolarHBondContact O-N 2.87Å; L36-K40 VanDerWaalsContact O-N 3.08Å; L37-K40 PolarHBondContact O-N 2.81Å; M38-K40 VanDerWaalsContact C-N 3.27Å; M38-K40 PolarHBondContact O-N 2.81Å; K40-E43 IonicContact NZ-OE2 2.75Å; K40-E43 PolarHBondContact NZ-OE2 2.91Å; K40-G44 PolarHBondContact O-N 3.24Å; K40-T45 WeakPolarHBondContact CD-OG1 3.15Å; K40-T45 CarbonylContact O-C 3.58Å; K40-T45 PolarHBondContact O-N 2.89Å; K40-L46 PolarHBondContact O-N 3Å; K40-L46 VanDerWaalsContact O-N 3.14Å; K40-L50 HydrophobicContact CB-CD2 4.42Å; K40-L50 HydrophobicContact CG-CD2 4.11Å
41E93.4Very high94.8Very high124 Ų12470.7 Ų70.758%0.57939%0.386SS*.Hα-helixtrans-69.1-45.5173.6-172.7168.9-148.400110.9L37 M38 E43 G44L37-E41 WeakPolarHBondContact O-CB 3.43Å; L37-E41 PolarHBondContact O-N 3.37Å; M38-E41 PolarHBondContact O-N 3.15Å; M38-E41 VanDerWaalsContact O-N 3.12Å; E41-E43 PolarHBondContact O-N 2.84Å; E41-G44 PolarHBondContact O-N 2.9Å
42E93.5Very high94.9Very high159 Ų15966.4 Ų66.474%0.74337%0.366SS*.Hα-helixtrans-64.2-38.7176.5-70.6-177.9-173.800112.5M38 G44M38-E42 WeakPolarHBondContact O-CG 3.43Å; M38-E42 PolarHBondContact O-N 2.87Å; E42-G44 PolarHBondContact O-N 2.86Å
43E93.6Very high94.7Very high120 Ų12066.1 Ų66.156%0.56138%0.383SS*.THydrogen-bonded Turntrans-71.2-9.8173.1-72.8176.6175.200113.5D39 K40 E41 T45D39-E43 WeakPolarHBondContact O-CB 3.27Å; D39-E43 VanDerWaalsContact O-CG 3.25Å; D39-E43 WeakPolarHBondContact O-CG 3.35Å; D39-E43 PolarHBondContact O-N 3.47Å; K40-E43 IonicContact NZ-OE2 2.75Å; K40-E43 PolarHBondContact NZ-OE2 2.91Å; E41-E43 PolarHBondContact O-N 2.84Å; E43-T45 HydrophobicContact CB-CG2 4.47Å; E43-T45 PolarHBondContact O-N 2.84Å; E43-T45 PolarHBondContact OE2-OG1 2.78Å
44G91.9Very high94.6Very high66 Ų6668.2 Ų68.268%0.6841%0.405SS*.THydrogen-bonded Turntrans66.620.3-17400000114K40 E41 E42K40-G44 PolarHBondContact O-N 3.24Å; E41-G44 PolarHBondContact O-N 2.9Å; E42-G44 PolarHBondContact O-N 2.86Å
45T93.6Very high94.6Very high73 Ų7366.9 Ų66.945%0.44840%0.399SS..  trans-110.727.8-179.661.90000112.7K40 E43 S47K40-T45 WeakPolarHBondContact CD-OG1 3.15Å; K40-T45 CarbonylContact O-C 3.58Å; K40-T45 PolarHBondContact O-N 2.89Å; E43-T45 HydrophobicContact CB-CG2 4.47Å; E43-T45 PolarHBondContact O-N 2.84Å; E43-T45 PolarHBondContact OE2-OG1 2.78Å; T45-S47 PolarHBondContact O-N 3.35Å
46L93.8Very high94.7Very high84 Ų8467.8 Ų67.844%0.4439%0.393SS..  trans-52.3129.7-179.9-172.965.5000111.6L37 K40 W59L37-L46 HydrophobicContact CD1-CD1 3.52Å; K40-L46 PolarHBondContact O-N 3Å; K40-L46 VanDerWaalsContact O-N 3.14Å; L46-W59 HydrophobicContact CD1-CH2 4.38Å; L46-W59 HydrophobicContact CD1-CZ2 3.84Å; L46-W59 HydrophobicContact CG-CZ2 4.35Å
47S94.4Very high94.8Very high43 Ų4366.1 Ų66.130%0.30139%0.385SS..  trans-136141-178171.20000110.1T45 I49 W59T45-S47 PolarHBondContact O-N 3.35Å; S47-I49 WeakPolarHBondContact CB-O 3.46Å; S47-I49 PolarHBondContact O-N 2.99Å; S47-I49 PolarHBondContact OG-N 2.88Å; S47-I49 VanDerWaalsContact OG-N 3.14Å; S47-I49 PolarHBondContact OG-O 3.27Å; S47-W59 PolarHBondContact O-NE1 3.47Å
48P95.8Very high95Very high72 Ų7266.1 Ų66.147%0.46839%0.385SS..SBendtrans-60.9-10.7170.7-22.433.8000114W59 F81P48-W59 PolarHBondContact O-N 2.95Å; P48-F81 HydrophobicContact CB-CE1 4.09Å; P48-F81 HydrophobicContact CB-CZ 3.63Å
49I97Very high95.1Very high61 Ų6163.2 Ų63.231%0.31337%0.369SS..EExtended strand (participates in β ladder)trans-125.3113.4177.9-49.8177.1000108.6S47 R56 F57 M58 V77 F81S47-I49 WeakPolarHBondContact CB-O 3.46Å; S47-I49 PolarHBondContact O-N 2.99Å; S47-I49 PolarHBondContact OG-N 2.88Å; S47-I49 VanDerWaalsContact OG-N 3.14Å; S47-I49 PolarHBondContact OG-O 3.27Å; I49-R56 HydrophobicContact CG2-CB 4.43Å; I49-F57 CarbonylContact C-O 3.57Å; I49-F57 VanDerWaalsContact CA-O 3.29Å; I49-F57 WeakPolarHBondContact CA-O 3.33Å; I49-M58 HydrophobicContact CG1-CG 4.19Å; I49-M58 HydrophobicContact CG2-CG 4.36Å; I49-V77 HydrophobicContact CD1-CG1 3.67Å; I49-V77 HydrophobicContact CD1-CG2 4.15Å; I49-F81 HydrophobicContact CD1-CE2 4.36Å; I49-F81 HydrophobicContact CG1-CE2 4.15Å; I49-F81 HydrophobicContact CG1-CZ 4.16Å
50L96.6Very high95.3Very high8 Ų860.1 Ų60.14%0.04235%0.352CS..EExtended strand (participates in β ladder)trans-101.7163.8173.6-52.6179.9000110.5F33 L36 L37 K40 R56 F57F33-L50 HydrophobicContact CD2-CD1 3.92Å; F33-L50 HydrophobicContact CE2-CD1 3.74Å; L36-L50 HydrophobicContact CB-CD1 4.23Å; L37-L50 HydrophobicContact CB-CD1 3.92Å; L37-L50 HydrophobicContact CD1-CD1 4.05Å; K40-L50 HydrophobicContact CB-CD2 4.42Å; K40-L50 HydrophobicContact CG-CD2 4.11Å; L50-R56 WeakPolarHBondContact O-CA 3.23Å; L50-F57 HydrophobicContact CB-CB 4.22Å; L50-F57 HydrophobicContact CB-CD2 4.28Å; L50-F57 PolarHBondContact N-O 2.92Å; L50-F57 PolarHBondContact O-N 2.92Å
51A95.8Very high95.4Very high52 Ų5262.4 Ų62.443%0.4336%0.362SS..EExtended strand (participates in β ladder)trans-138.6131.5-177.600000111.5V55A51-V55 WeakPolarHBondContact CA-O 3.36Å
52H95.9Very high95.5Very high63 Ų6358.7 Ų58.729%0.29235%0.345SS..EExtended strand (participates in β ladder)trans-124.8105.6167.4-173.3-119.8000107.9E29 H32 L36 G54 V55 F57E29-H52 IonicContact OE2-CE1 2.83Å; E29-H52 IonicContact OE2-CG 3.7Å; E29-H52 IonicContact OE2-ND1 3.96Å; E29-H52 PolarHBondContact OE2-ND1 2.8Å; H32-H52 AromaticContact CD2-CE1 3.54Å; H32-H52 AromaticContact CD2-NE2 3.53Å; H32-H52 AromaticContact CE1-CE1 3.81Å; H32-H52 AromaticContact CG-CE1 3.73Å; H32-H52 AromaticContact CG-ND1 3.92Å; H32-H52 AromaticContact CG-NE2 3.98Å; H32-H52 AromaticContact ND1-CE1 3.88Å; H32-H52 AromaticContact NE2-CE1 3.6Å; H32-H52 AromaticContact NE2-NE2 3.91Å; L36-H52 HydrophobicContact CD1-CB 3.82Å; H52-G54 PolarHBondContact O-N 3.48Å; H52-G54 VanDerWaalsContact O-N 3.07Å; H52-V55 PolarHBondContact N-O 2.81Å; H52-V55 VanDerWaalsContact N-O 3.09Å; H52-V55 PolarHBondContact O-N 2.81Å; H52-F57 HydrophobicContact CB-CE2 3.62Å; H52-F57 HydrophobicContact CB-CZ 4.16Å
53G93.4Very high95.5Very high69 Ų6955.5 Ų55.571%0.71133%0.333SS*.THydrogen-bonded Turntrans52.2-116-171.700000112.8R56G53-R56 PolarHBondContact O-NH1 2.79Å
54G93.8Very high95.5Very high45 Ų4551.6 Ų51.646%0.46432%0.316SS..THydrogen-bonded Turntrans-86.4-6.7178.200000115.4H52H52-G54 PolarHBondContact O-N 3.48Å; H52-G54 VanDerWaalsContact O-N 3.07Å
55V96.7Very high95.8Very high10 Ų1048.5 Ų48.56%0.06128%0.283CS..EExtended strand (participates in β ladder)trans-92.1142.1-178.6-1760000109.7V25 E29 A51 H52 F57V25-V55 HydrophobicContact CG1-CG1 3.8Å; V25-V55 HydrophobicContact CG1-CG2 4.06Å; V25-V55 HydrophobicContact CG2-CG1 4.43Å; E29-V55 HydrophobicContact CG-CG2 4.16Å; A51-V55 WeakPolarHBondContact CA-O 3.36Å; H52-V55 PolarHBondContact N-O 2.81Å; H52-V55 VanDerWaalsContact N-O 3.09Å; H52-V55 PolarHBondContact O-N 2.81Å; V55-F57 HydrophobicContact CB-CE2 4.46Å; V55-F57 HydrophobicContact CG1-CE1 4.3Å; V55-F57 HydrophobicContact CG1-CE2 4.12Å; V55-F57 HydrophobicContact CG1-CZ 3.93Å
56R96.9Very high96Very high102 Ų10245.8 Ų45.839%0.38527%0.265SS..EExtended strand (participates in β ladder)trans-117.4135173.5-60.5-64.2176.3-94.43.5109.3I49 L50 G53 M58 T70 S71I49-R56 HydrophobicContact CG2-CB 4.43Å; L50-R56 WeakPolarHBondContact O-CA 3.23Å; G53-R56 PolarHBondContact O-NH1 2.79Å; R56-M58 HydrophobicContact CB-SD 3.94Å; R56-T70 CarbonylContact O-C 3.57Å; R56-T70 VanDerWaalsContact O-CA 3.32Å; R56-T70 WeakPolarHBondContact O-CA 3.5Å; R56-S71 PolarHBondContact N-O 3.29Å; R56-S71 PolarHBondContact O-N 3.3Å
57F97.6Very high96.2Very high0 Ų041.9 Ų41.90%025%0.245CC..EExtended strand (participates in β ladder)trans-111.3107.3176.5-53.8-94.5000108.4E29 I30 F33 L36 I49 L50 H52 V55 V68 T70E29-F57 HydrophobicContact CB-CZ 4.33Å; E29-F57 WeakPolarHBondContact O-CE1 3.42Å; E29-F57 WeakPolarHBondContact O-CZ 3.41Å; I30-F57 HydrophobicContact CD1-CD1 4.41Å; I30-F57 HydrophobicContact CD1-CE1 4.48Å; F33-F57 HydrophobicContact CB-CD1 4.21Å; F33-F57 HydrophobicContact CB-CE1 4.35Å; F33-F57 HydrophobicContact CD2-CB 3.85Å; F33-F57 HydrophobicContact CD2-CD1 4.13Å; F33-F57 HydrophobicContact CD2-CG 4.05Å; F33-F57 HydrophobicContact CE2-CB 4.26Å; L36-F57 HydrophobicContact CD1-CE2 4.34Å; I49-F57 CarbonylContact C-O 3.57Å; I49-F57 VanDerWaalsContact CA-O 3.29Å; I49-F57 WeakPolarHBondContact CA-O 3.33Å; L50-F57 HydrophobicContact CB-CB 4.22Å; L50-F57 HydrophobicContact CB-CD2 4.28Å; L50-F57 PolarHBondContact N-O 2.92Å; L50-F57 PolarHBondContact O-N 2.92Å; H52-F57 HydrophobicContact CB-CE2 3.62Å; H52-F57 HydrophobicContact CB-CZ 4.16Å; V55-F57 HydrophobicContact CB-CE2 4.46Å; V55-F57 HydrophobicContact CG1-CE1 4.3Å; V55-F57 HydrophobicContact CG1-CE2 4.12Å; V55-F57 HydrophobicContact CG1-CZ 3.93Å; F57-V68 HydrophobicContact CB-CG1 4.03Å; F57-V68 HydrophobicContact CD1-CG1 4.07Å; F57-T70 HydrophobicContact CD1-CG2 3.57Å; F57-T70 HydrophobicContact CE1-CG2 3.76Å
58M97.9Very high96.3Very high3 Ų339.9 Ų39.92%0.01523%0.23CC..EExtended strand (participates in β ladder)trans-94.9118.8173.1-65.483.880.600107.9I49 R56 A69 A75 V80 F81I49-M58 HydrophobicContact CG1-CG 4.19Å; I49-M58 HydrophobicContact CG2-CG 4.36Å; R56-M58 HydrophobicContact CB-SD 3.94Å; M58-A69 PolarHBondContact N-O 2.83Å; M58-A69 PolarHBondContact O-N 3.14Å; M58-A75 HydrophobicContact CE-CB 3.9Å; M58-V80 HydrophobicContact CB-CG1 3.9Å; M58-V80 HydrophobicContact CE-CB 4.19Å; M58-V80 HydrophobicContact CE-CG1 3.95Å; M58-V80 HydrophobicContact CE-CG2 3.82Å; M58-V80 HydrophobicContact CG-CG1 4.45Å; M58-F81 HydrophobicContact CB-CE2 4.38Å; M58-F81 HydrophobicContact CB-CZ 4.07Å; M58-F81 HydrophobicContact CG-CE2 4.46Å
59W97.9Very high96.4Very high29 Ų2936.5 Ų36.511%0.1121%0.208CC..EExtended strand (participates in β ladder)trans-136.9150.1-168.969.3-83.3000113.4F33 L37 L46 S47 P48 K61 Y66 L67 V68 F81F33-W59 HydrophobicContact CE2-CB 3.76Å; F33-W59 AromaticContact CE2-CD1 3.63Å; F33-W59 HydrophobicContact CE2-CD2 4.25Å; F33-W59 AromaticContact CE2-CG 3.58Å; F33-W59 HydrophobicContact CE2-CG 3.58Å; F33-W59 HydrophobicContact CZ-CB 3.76Å; F33-W59 AromaticContact CZ-CD2 3.92Å; F33-W59 HydrophobicContact CZ-CD2 3.92Å; F33-W59 HydrophobicContact CZ-CE3 4.39Å; F33-W59 AromaticContact CZ-CG 3.62Å; F33-W59 HydrophobicContact CZ-CG 3.62Å; L37-W59 HydrophobicContact CD1-CD2 4.39Å; L37-W59 HydrophobicContact CD1-CH2 3.69Å; L37-W59 HydrophobicContact CD1-CZ2 3.24Å; L37-W59 HydrophobicContact CD1-CZ3 4.43Å; L46-W59 HydrophobicContact CD1-CH2 4.38Å; L46-W59 HydrophobicContact CD1-CZ2 3.84Å; L46-W59 HydrophobicContact CG-CZ2 4.35Å; S47-W59 PolarHBondContact O-NE1 3.47Å; P48-W59 PolarHBondContact O-N 2.95Å; W59-K61 HydrophobicContact CZ3-CB 4.08Å; W59-Y66 AromaticContact CE3-CD1 3.68Å; W59-Y66 HydrophobicContact CE3-CD1 3.68Å; W59-Y66 AromaticContact CE3-CE1 3.94Å; W59-Y66 HydrophobicContact CE3-CE1 3.94Å; W59-Y66 HydrophobicContact CH2-CE1 4.48Å; W59-Y66 AromaticContact CZ3-CD1 3.84Å; W59-Y66 HydrophobicContact CZ3-CD1 3.84Å; W59-Y66 AromaticContact CZ3-CE1 3.61Å; W59-Y66 HydrophobicContact CZ3-CE1 3.61Å; W59-L67 CarbonylContact C-O 3.53Å; W59-L67 VanDerWaalsContact CA-O 3.22Å; W59-L67 WeakPolarHBondContact CA-O 3.11Å; W59-V68 HydrophobicContact CB-CB 4.43Å; W59-V68 HydrophobicContact CB-CG1 4.36Å; W59-V68 HydrophobicContact CB-CG2 3.96Å; W59-F81 WeakPolarHBondContact O-CE1 3.39Å
60I97.8Very high96.5Very high8 Ų833.6 Ų33.64%0.04119%0.194CC..EExtended strand (participates in β ladder)trans-131.7152.7169.462.2177.4000109.5Y66 L67 F81 L84 Y85 I88I60-Y66 WeakPolarHBondContact O-CA 3.41Å; I60-L67 HydrophobicContact CG1-CB 3.91Å; I60-L67 PolarHBondContact N-O 2.86Å; I60-L67 PolarHBondContact O-N 3.02Å; I60-F81 HydrophobicContact CG2-CD1 3.64Å; I60-F81 HydrophobicContact CG2-CE1 3.77Å; I60-L84 HydrophobicContact CD1-CB 3.53Å; I60-L84 HydrophobicContact CG1-CB 4.06Å; I60-L84 HydrophobicContact CG1-CD1 4.32Å; I60-Y85 HydrophobicContact CD1-CD1 3.93Å; I60-Y85 HydrophobicContact CD1-CD2 4.46Å; I60-Y85 HydrophobicContact CD1-CE1 4.01Å; I60-Y85 HydrophobicContact CD1-CG 4.15Å; I60-Y85 HydrophobicContact CG2-CE2 4.11Å; I60-I88 HydrophobicContact CD1-CD1 3.32Å; I60-I88 HydrophobicContact CD1-CG1 4.38Å; I60-I88 HydrophobicContact CG1-CD1 4.16Å
61K96.4Very high96.5Very high120 Ų12033.3 Ų33.352%0.52219%0.192SC..EExtended strand (participates in β ladder)trans-106133.5174.1-174.8176.5-1771730109.7W59 L65 Y66W59-K61 HydrophobicContact CZ3-CB 4.08Å; K61-L65 WeakPolarHBondContact CA-O 3.31Å; K61-Y66 HydrophobicContact CB-CD1 4.02Å; K61-Y66 HydrophobicContact CB-CE1 3.9Å; K61-Y66 HydrophobicContact CD-CE1 3.83Å; K61-Y66 HydrophobicContact CG-CD1 4.23Å; K61-Y66 HydrophobicContact CG-CE1 3.89Å
62H95.4Very high96.4Very high46 Ų4637.1 Ų37.121%0.21320%0.199CC..EExtended strand (participates in β ladder)trans-137.3116.8175-178.9-94000109N64 L65 L67 I88H62-N64 PolarHBondContact O-N 2.86Å; H62-L65 PolarHBondContact N-O 3.32Å; H62-L65 WeakPolarHBondContact O-CA 3.33Å; H62-L65 WeakPolarHBondContact O-CB 3.39Å; H62-L65 PolarHBondContact O-N 2.82Å; H62-L67 HydrophobicContact CB-CD1 4.35Å; H62-I88 HydrophobicContact CB-CD1 3.64Å; H62-I88 HydrophobicContact CB-CG1 4.28Å
63N93.8Very high96.2Very high92 Ų9238.2 Ų38.249%0.49220%0.203SC..THydrogen-bonded Turntrans50.2-120.3-172.5-61-16.5000111.7L98N63-L98 PolarHBondContact ND2-O 2.95Å
64N94.1Very high96.2Very high38 Ų3842.7 Ų42.720%0.20321%0.211CC..THydrogen-bonded Turntrans-93.617.1176.857.7-11.8000113.6L11 H62 E99 E100L11-N64 HydrophobicContact CD1-CB 3.98Å; L11-N64 HydrophobicContact CG-CB 4Å; L11-N64 PolarHBondContact N-O 2.91Å; H62-N64 PolarHBondContact O-N 2.86Å; N64-E99 WeakPolarHBondContact OD1-CA 3.42Å; N64-E100 PolarHBondContact OD1-N 3.18Å
65L96.6Very high96.2Very high0 Ų041 Ų410%019%0.193CC..EExtended strand (participates in β ladder)trans-119.8145.5-176.9-56.2176.4000112.3V8 L9 L16 K61 H62 L67 L98 E100 I103V8-L65 HydrophobicContact CG1-CB 4.3Å; V8-L65 HydrophobicContact CG1-CD1 4.16Å; V8-L65 HydrophobicContact CG1-CD2 4.14Å; V8-L65 HydrophobicContact CG1-CG 4.45Å; L9-L65 CarbonylContact O-C 3.58Å; L9-L65 VanDerWaalsContact O-CA 3.3Å; L9-L65 WeakPolarHBondContact O-CA 3.48Å; L16-L65 HydrophobicContact CD1-CD2 3.45Å; L16-L65 VanDerWaalsContact CD1-CD2 3.45Å; K61-L65 WeakPolarHBondContact CA-O 3.31Å; H62-L65 PolarHBondContact N-O 3.32Å; H62-L65 WeakPolarHBondContact O-CA 3.33Å; H62-L65 WeakPolarHBondContact O-CB 3.39Å; H62-L65 PolarHBondContact O-N 2.82Å; L65-L67 HydrophobicContact CB-CD1 4.37Å; L65-L98 HydrophobicContact CD1-CD1 4.08Å; L65-L98 HydrophobicContact CD1-CG 3.85Å; L65-E100 HydrophobicContact CD2-CB 4.3Å; L65-I103 HydrophobicContact CD1-CD1 4.5Å; L65-I103 HydrophobicContact CD1-CG1 4.07Å; L65-I103 HydrophobicContact CD2-CG1 4.5Å
66Y97.8Very high96.1Very high17 Ų1743 Ų437%0.06721%0.206CC..EExtended strand (participates in β ladder)trans-107126.6161.2-66.8-77.8000109.6V8 L9 D10 L11 F33 M34 L37 W59 I60 K61V8-Y66 CarbonylContact C-O 3.56Å; V8-Y66 WeakPolarHBondContact CA-O 3.41Å; L9-Y66 PolarHBondContact N-O 2.89Å; L9-Y66 PolarHBondContact O-N 2.83Å; D10-Y66 WeakPolarHBondContact O-CD2 3.32Å; L11-Y66 HydrophobicContact CD2-CE2 4.15Å; F33-Y66 HydrophobicContact CE1-CG 4.3Å; M34-Y66 HydrophobicContact SD-CE2 4.36Å; L37-Y66 HydrophobicContact CD2-CE1 3.91Å; W59-Y66 AromaticContact CE3-CD1 3.68Å; W59-Y66 HydrophobicContact CE3-CD1 3.68Å; W59-Y66 AromaticContact CE3-CE1 3.94Å; W59-Y66 HydrophobicContact CE3-CE1 3.94Å; W59-Y66 HydrophobicContact CH2-CE1 4.48Å; W59-Y66 AromaticContact CZ3-CD1 3.84Å; W59-Y66 HydrophobicContact CZ3-CD1 3.84Å; W59-Y66 AromaticContact CZ3-CE1 3.61Å; W59-Y66 HydrophobicContact CZ3-CE1 3.61Å; I60-Y66 WeakPolarHBondContact O-CA 3.41Å; K61-Y66 HydrophobicContact CB-CD1 4.02Å; K61-Y66 HydrophobicContact CB-CE1 3.9Å; K61-Y66 HydrophobicContact CD-CE1 3.83Å; K61-Y66 HydrophobicContact CG-CD1 4.23Å; K61-Y66 HydrophobicContact CG-CE1 3.89Å
67L97.9Very high96Very high2 Ų240.8 Ų40.81%0.0120%0.204CC..EExtended strand (participates in β ladder)trans-99.9119.4167.3-7378.7000107.8Y7 V8 W59 I60 H62 L65 L84 I87 I88Y7-L67 WeakPolarHBondContact O-CA 3.32Å; V8-L67 HydrophobicContact CG2-CG 4.42Å; W59-L67 CarbonylContact C-O 3.53Å; W59-L67 VanDerWaalsContact CA-O 3.22Å; W59-L67 WeakPolarHBondContact CA-O 3.11Å; I60-L67 HydrophobicContact CG1-CB 3.91Å; I60-L67 PolarHBondContact N-O 2.86Å; I60-L67 PolarHBondContact O-N 3.02Å; H62-L67 HydrophobicContact CB-CD1 4.35Å; L65-L67 HydrophobicContact CB-CD1 4.37Å; L67-L84 HydrophobicContact CB-CD2 4.23Å; L67-I87 HydrophobicContact CD2-CB 4.24Å; L67-I87 HydrophobicContact CD2-CG2 3.86Å; L67-I88 HydrophobicContact CD1-CD1 4.15Å; L67-I88 HydrophobicContact CD1-CG1 4Å; L67-I88 HydrophobicContact CD2-CD1 4.26Å; L67-I88 HydrophobicContact CD2-CG1 3.66Å; L67-I88 HydrophobicContact CG-CG1 4.49Å
68V98.1Very high95.9Very high0 Ų044.7 Ų44.70%023%0.232CC..EExtended strand (participates in β ladder)trans-122.9127.6-174.2-172.40000109.2V6 Y7 L9 I30 F33 F57 W59V6-V68 CarbonylContact C-O 3.56Å; V6-V68 WeakPolarHBondContact CA-O 3.47Å; Y7-V68 WeakPolarHBondContact CD2-O 3.39Å; Y7-V68 PolarHBondContact N-O 2.9Å; Y7-V68 PolarHBondContact O-N 2.86Å; L9-V68 HydrophobicContact CD1-CG2 3.82Å; L9-V68 HydrophobicContact CG-CG2 4.24Å; I30-V68 HydrophobicContact CD1-CB 4.12Å; I30-V68 HydrophobicContact CD1-CG1 3.89Å; I30-V68 HydrophobicContact CD1-CG2 4.5Å; F33-V68 HydrophobicContact CD1-CG2 4.11Å; F33-V68 HydrophobicContact CD2-CG1 4.13Å; F33-V68 HydrophobicContact CD2-CG2 4.37Å; F33-V68 HydrophobicContact CE1-CG2 3.74Å; F33-V68 HydrophobicContact CE2-CG1 4.2Å; F33-V68 HydrophobicContact CE2-CG2 4.02Å; F33-V68 HydrophobicContact CG-CG2 4.41Å; F33-V68 HydrophobicContact CZ-CG2 3.69Å; F57-V68 HydrophobicContact CB-CG1 4.03Å; F57-V68 HydrophobicContact CD1-CG1 4.07Å; W59-V68 HydrophobicContact CB-CB 4.43Å; W59-V68 HydrophobicContact CB-CG1 4.36Å; W59-V68 HydrophobicContact CB-CG2 3.96Å
69A97.9Very high95.8Very high1 Ų147.6 Ų47.61%0.00825%0.247CC..EExtended strand (participates in β ladder)trans-110.4127.8169.800000109.9A3 A5 V6 M58 V80 L84A3-A69 HydrophobicContact CB-CB 4.1Å; A5-A69 CarbonylContact O-C 3.55Å; A5-A69 WeakPolarHBondContact O-CA 3.36Å; V6-A69 HydrophobicContact CG2-CB 4.25Å; M58-A69 PolarHBondContact N-O 2.83Å; M58-A69 PolarHBondContact O-N 3.14Å; A69-V80 HydrophobicContact CB-CG1 3.42Å; A69-V80 VanDerWaalsContact CB-CG1 3.42Å; A69-L84 HydrophobicContact CB-CD1 4.32Å; A69-L84 HydrophobicContact CB-CD2 4.2Å
70T97.4Very high95.8Very high0 Ų046.2 Ų46.20%024%0.242CC..EExtended strand (participates in β ladder)trans-100.4144.8178.260.20000111.6S4 A5 Y7 R56 F57S4-T70 WeakPolarHBondContact CB-O 3.41Å; S4-T70 PolarHBondContact N-O 3.21Å; A5-T70 PolarHBondContact O-N 2.9Å; Y7-T70 HydrophobicContact CD2-CG2 4.21Å; Y7-T70 HydrophobicContact CE2-CG2 3.58Å; R56-T70 CarbonylContact O-C 3.57Å; R56-T70 VanDerWaalsContact O-CA 3.32Å; R56-T70 WeakPolarHBondContact O-CA 3.5Å; F57-T70 HydrophobicContact CD1-CG2 3.57Å; F57-T70 HydrophobicContact CE1-CG2 3.76Å
71S96.6Very high95.7Very high2 Ų247.7 Ų47.71%0.01425%0.248CC..EExtended strand (participates in β ladder)trans-151.9144.6171.1-160.40000111.5S2 R56S2-S71 PolarHBondContact O-OG 2.99Å; S2-S71 VanDerWaalsContact O-OG 3.08Å; R56-S71 PolarHBondContact N-O 3.29Å; R56-S71 PolarHBondContact O-N 3.3Å
72K94.8Very high95.7Very high133 Ų13345.9 Ų45.958%0.57825%0.25SS*.SBendtrans-98.2-16.2175.2-164.2173.2-177.9172.90113.1V25V25-K72 HydrophobicContact CG2-CB 4Å
73K91.9Very high95.7Very high86 Ų8644 Ų4437%0.37424%0.242SC..SBendtrans-101.7172.3-174.7-65.8174.9179.8148.50110M1 D24 A75M1-K73 HydrophobicContact CE-CD 3.9Å; M1-K73 HydrophobicContact SD-CD 3.72Å; D24-K73 IonicContact OD1-NZ 3.35Å; D24-K73 IonicContact OD2-NZ 2.7Å; D24-K73 PolarHBondContact OD2-NZ 3.32Å; K73-A75 VanDerWaalsContact C-N 3.26Å; K73-A75 PolarHBondContact O-N 3.07Å
74N92.8Very high95.9Very high163 Ų16339.7 Ų39.787%0.87222%0.218SC*.  trans-68.886.9168.6-172.411.6000109.7
75A93.3Very high96Very high10 Ų1044.7 Ų44.78%0.08324%0.235CC..  trans-77.6149.8-176.600000111.7M1 S2 M58 K73 V77M1-A75 CarbonylContact O-C 3.52Å; M1-A75 VanDerWaalsContact O-CA 3.25Å; M1-A75 WeakPolarHBondContact O-CA 3.32Å; S2-A75 VanDerWaalsContact O-CB 3.25Å; S2-A75 WeakPolarHBondContact O-CB 3.23Å; M58-A75 HydrophobicContact CE-CB 3.9Å; K73-A75 VanDerWaalsContact C-N 3.26Å; K73-A75 PolarHBondContact O-N 3.07Å; A75-V77 PolarHBondContact O-N 2.78Å
76S95.2Very high96Very high50 Ų5046.6 Ų46.635%0.3524%0.244SC..  trans-70.195.6166.5-176.20000109.3M1 S78 L79 V80M1-S76 PolarHBondContact O-N 3.41Å; S76-S78 VanDerWaalsContact C-N 3.34Å; S76-S78 PolarHBondContact O-N 2.76Å; S76-L79 PolarHBondContact O-N 2.84Å; S76-V80 WeakPolarHBondContact O-CG2 3.42Å; S76-V80 PolarHBondContact O-N 3.43Å; S76-V80 VanDerWaalsContact O-N 3.15Å
77V95.5Very high95.9Very high56 Ų5645.9 Ų45.934%0.33924%0.241SC..Hα-helixtrans-61.1-42.5-174.41740000111.8I49 A75 L79 V80 F81I49-V77 HydrophobicContact CD1-CG1 3.67Å; I49-V77 HydrophobicContact CD1-CG2 4.15Å; A75-V77 PolarHBondContact O-N 2.78Å; V77-L79 PolarHBondContact O-N 3.07Å; V77-V80 PolarHBondContact O-N 2.58Å; V77-F81 HydrophobicContact CG1-CD2 3.55Å; V77-F81 HydrophobicContact CG1-CE2 3.42Å; V77-F81 VanDerWaalsContact CG1-CE2 3.42Å; V77-F81 VanDerWaalsContact O-CD2 3.28Å; V77-F81 WeakPolarHBondContact O-CD2 3.42Å; V77-F81 PolarHBondContact O-N 3.32Å
78S95.4Very high95.8Very high83 Ų8346.5 Ų46.558%0.5824%0.244SC*.Hα-helixtrans-60.8-43.9178.253.70000111.9S76 V80 F81 S82S76-S78 VanDerWaalsContact C-N 3.34Å; S76-S78 PolarHBondContact O-N 2.76Å; S78-V80 VanDerWaalsContact C-N 3.32Å; S78-V80 PolarHBondContact O-N 3.38Å; S78-F81 PolarHBondContact O-N 2.86Å; S78-S82 WeakPolarHBondContact O-CB 3.43Å; S78-S82 PolarHBondContact O-N 3.02Å; S78-S82 PolarHBondContact O-OG 3.42Å; S78-S82 VanDerWaalsContact O-OG 3.12Å
79L95.8Very high95.6Very high63 Ų6350.6 Ų50.633%0.3326%0.264SS..Hα-helixtrans-60.9-41.9176.7178.961.5000111.6S2 S76 V77 F83 P123S2-L79 WeakPolarHBondContact OG-CD2 3.45Å; S76-L79 PolarHBondContact O-N 2.84Å; V77-L79 PolarHBondContact O-N 3.07Å; L79-F83 VanDerWaalsContact O-CB 3.22Å; L79-F83 WeakPolarHBondContact O-CB 3.38Å; L79-F83 PolarHBondContact O-N 2.99Å; L79-P123 HydrophobicContact CD1-CG 4Å; L79-P123 HydrophobicContact CG-CG 4.43Å
80V96.6Very high95.4Very high1 Ų150.6 Ų50.61%0.00626%0.263CS..Hα-helixtrans-63.9-49.9178.3173.60000110.8M58 A69 S76 V77 S78 F83 L84M58-V80 HydrophobicContact CB-CG1 3.9Å; M58-V80 HydrophobicContact CE-CB 4.19Å; M58-V80 HydrophobicContact CE-CG1 3.95Å; M58-V80 HydrophobicContact CE-CG2 3.82Å; M58-V80 HydrophobicContact CG-CG1 4.45Å; A69-V80 HydrophobicContact CB-CG1 3.42Å; A69-V80 VanDerWaalsContact CB-CG1 3.42Å; S76-V80 WeakPolarHBondContact O-CG2 3.42Å; S76-V80 PolarHBondContact O-N 3.43Å; S76-V80 VanDerWaalsContact O-N 3.15Å; V77-V80 PolarHBondContact O-N 2.58Å; S78-V80 VanDerWaalsContact C-N 3.32Å; S78-V80 PolarHBondContact O-N 3.38Å; V80-F83 WeakPolarHBondContact O-CB 3.39Å; V80-F83 PolarHBondContact O-N 3.49Å; V80-L84 HydrophobicContact CG1-CD1 4.25Å; V80-L84 HydrophobicContact CG1-CG 4.34Å; V80-L84 WeakPolarHBondContact O-CG 3.42Å; V80-L84 PolarHBondContact O-N 2.95Å
81F97.2Very high95.3Very high39 Ų3950.6 Ų50.617%0.17126%0.263CS..Hα-helixtrans-63.7-44.5178.8-78.4-66.7000112.7P48 I49 M58 W59 I60 V77 S78 F83 L84 Y85P48-F81 HydrophobicContact CB-CE1 4.09Å; P48-F81 HydrophobicContact CB-CZ 3.63Å; I49-F81 HydrophobicContact CD1-CE2 4.36Å; I49-F81 HydrophobicContact CG1-CE2 4.15Å; I49-F81 HydrophobicContact CG1-CZ 4.16Å; M58-F81 HydrophobicContact CB-CE2 4.38Å; M58-F81 HydrophobicContact CB-CZ 4.07Å; M58-F81 HydrophobicContact CG-CE2 4.46Å; W59-F81 WeakPolarHBondContact O-CE1 3.39Å; I60-F81 HydrophobicContact CG2-CD1 3.64Å; I60-F81 HydrophobicContact CG2-CE1 3.77Å; V77-F81 HydrophobicContact CG1-CD2 3.55Å; V77-F81 HydrophobicContact CG1-CE2 3.42Å; V77-F81 VanDerWaalsContact CG1-CE2 3.42Å; V77-F81 VanDerWaalsContact O-CD2 3.28Å; V77-F81 WeakPolarHBondContact O-CD2 3.42Å; V77-F81 PolarHBondContact O-N 3.32Å; S78-F81 PolarHBondContact O-N 2.86Å; F81-F83 PolarHBondContact O-N 3.3Å; F81-L84 PolarHBondContact O-N 3.27Å; F81-Y85 WeakPolarHBondContact O-CD2 3.44Å; F81-Y85 PolarHBondContact O-N 2.8Å
82S95.7Very high95.2Very high81 Ų8152.1 Ų52.157%0.56627%0.274SS*.Hα-helixtrans-57.3-39.6174.6-67.50000111.6S78 K86S78-S82 WeakPolarHBondContact O-CB 3.43Å; S78-S82 PolarHBondContact O-N 3.02Å; S78-S82 PolarHBondContact O-OG 3.42Å; S78-S82 VanDerWaalsContact O-OG 3.12Å; S82-K86 VanDerWaalsContact O-CB 3.29Å; S82-K86 WeakPolarHBondContact O-CB 3.39Å; S82-K86 PolarHBondContact O-N 3.42Å
83F96.3Very high95Very high8 Ų849.4 Ų49.44%0.03526%0.263CS..Hα-helixtrans-68.9-41.4175.8-179.1-108.6000113V6 L79 V80 F81 Y85 K86 I87 L117 M118 P123 T126V6-F83 HydrophobicContact CG2-CE1 4.47Å; L79-F83 VanDerWaalsContact O-CB 3.22Å; L79-F83 WeakPolarHBondContact O-CB 3.38Å; L79-F83 PolarHBondContact O-N 2.99Å; V80-F83 WeakPolarHBondContact O-CB 3.39Å; V80-F83 PolarHBondContact O-N 3.49Å; F81-F83 PolarHBondContact O-N 3.3Å; F83-Y85 PolarHBondContact O-N 2.88Å; F83-K86 CarbonylContact O-C 3.47Å; F83-K86 WeakPolarHBondContact O-CA 3.35Å; F83-K86 WeakPolarHBondContact O-CB 3.17Å; F83-K86 PolarHBondContact O-N 3.16Å; F83-K86 VanDerWaalsContact O-N 3.08Å; F83-I87 HydrophobicContact CD1-CD1 3.7Å; F83-I87 HydrophobicContact CD1-CG1 4.3Å; F83-I87 HydrophobicContact CE1-CD1 3.17Å; F83-I87 HydrophobicContact CE1-CG1 3.87Å; F83-I87 HydrophobicContact CE2-CD1 4.44Å; F83-I87 HydrophobicContact CE2-CG1 4.26Å; F83-I87 HydrophobicContact CZ-CD1 3.6Å; F83-I87 HydrophobicContact CZ-CG1 3.83Å; F83-I87 PolarHBondContact O-N 3.09Å; F83-L117 HydrophobicContact CE2-CB 4.03Å; F83-L117 HydrophobicContact CZ-CB 3.99Å; F83-M118 HydrophobicContact CD1-CE 3.3Å; F83-M118 HydrophobicContact CD1-SD 4.48Å; F83-M118 HydrophobicContact CD2-CE 4.12Å; F83-M118 HydrophobicContact CE1-CB 4.22Å; F83-M118 HydrophobicContact CE1-CE 3.2Å; F83-M118 HydrophobicContact CE1-SD 3.89Å; F83-M118 HydrophobicContact CE2-CB 4.16Å; F83-M118 HydrophobicContact CE2-CE 4.06Å; F83-M118 HydrophobicContact CG-CE 3.76Å; F83-M118 HydrophobicContact CZ-CB 3.6Å; F83-M118 HydrophobicContact CZ-CE 3.62Å; F83-M118 HydrophobicContact CZ-CG 4.46Å; F83-M118 HydrophobicContact CZ-SD 4.25Å; F83-P123 HydrophobicContact CB-CG 4.12Å; F83-P123 HydrophobicContact CD2-CB 3.7Å; F83-P123 HydrophobicContact CD2-CG 3.56Å; F83-P123 HydrophobicContact CE2-CB 4Å; F83-P123 HydrophobicContact CE2-CG 4.15Å; F83-P123 HydrophobicContact CG-CG 3.93Å; F83-T126 HydrophobicContact CD2-CG2 4.47Å; F83-T126 HydrophobicContact CE2-CG2 4.31Å
84L97.1Very high95Very high0 Ų046 Ų460%025%0.248CC..Hα-helixtrans-62.1-43.8177.1-67.8-179.6000111.7V6 I60 L67 A69 V80 F81 K86 I87 I88V6-L84 HydrophobicContact CG1-CD2 4.15Å; I60-L84 HydrophobicContact CD1-CB 3.53Å; I60-L84 HydrophobicContact CG1-CB 4.06Å; I60-L84 HydrophobicContact CG1-CD1 4.32Å; L67-L84 HydrophobicContact CB-CD2 4.23Å; A69-L84 HydrophobicContact CB-CD1 4.32Å; A69-L84 HydrophobicContact CB-CD2 4.2Å; V80-L84 HydrophobicContact CG1-CD1 4.25Å; V80-L84 HydrophobicContact CG1-CG 4.34Å; V80-L84 WeakPolarHBondContact O-CG 3.42Å; V80-L84 PolarHBondContact O-N 2.95Å; F81-L84 PolarHBondContact O-N 3.27Å; L84-K86 VanDerWaalsContact C-N 3.28Å; L84-K86 PolarHBondContact O-N 3.16Å; L84-I87 HydrophobicContact CD2-CD1 4.48Å; L84-I87 PolarHBondContact O-N 2.63Å; L84-I88 PolarHBondContact O-N 2.91Å; L84-I88 VanDerWaalsContact O-N 3.15Å
85Y96.6Very high94.9Very high143 Ų14339.5 Ų39.556%0.56121%0.212SC*.Hα-helixtrans-64.5-34.6172.5-75.8-66.9000112.2I60 F81 F83 I88 Q89I60-Y85 HydrophobicContact CD1-CD1 3.93Å; I60-Y85 HydrophobicContact CD1-CD2 4.46Å; I60-Y85 HydrophobicContact CD1-CE1 4.01Å; I60-Y85 HydrophobicContact CD1-CG 4.15Å; I60-Y85 HydrophobicContact CG2-CE2 4.11Å; F81-Y85 WeakPolarHBondContact O-CD2 3.44Å; F81-Y85 PolarHBondContact O-N 2.8Å; F83-Y85 PolarHBondContact O-N 2.88Å; Y85-I88 HydrophobicContact CD1-CD1 4.43Å; Y85-I88 PolarHBondContact O-N 2.89Å; Y85-Q89 PolarHBondContact O-N 2.8Å
86K95.6Very high94.7Very high41 Ų4148 Ų4818%0.17825%0.247CC..Hα-helixtrans-68.5-37.4176.1-169.465.1-178178.50112.3S82 F83 L84 Q89 V90 T126S82-K86 VanDerWaalsContact O-CB 3.29Å; S82-K86 WeakPolarHBondContact O-CB 3.39Å; S82-K86 PolarHBondContact O-N 3.42Å; F83-K86 CarbonylContact O-C 3.47Å; F83-K86 WeakPolarHBondContact O-CA 3.35Å; F83-K86 WeakPolarHBondContact O-CB 3.17Å; F83-K86 PolarHBondContact O-N 3.16Å; F83-K86 VanDerWaalsContact O-N 3.08Å; L84-K86 VanDerWaalsContact C-N 3.28Å; L84-K86 PolarHBondContact O-N 3.16Å; K86-Q89 WeakPolarHBondContact O-CB 3.4Å; K86-Q89 PolarHBondContact O-N 3.3Å; K86-V90 WeakPolarHBondContact O-CG2 3.25Å; K86-V90 PolarHBondContact O-N 2.9Å; K86-T126 WeakPolarHBondContact CE-O 3.39Å; K86-T126 WeakPolarHBondContact CE-OG1 3.21Å; K86-T126 HydrophobicContact CG-CG2 4.18Å; K86-T126 PolarHBondContact NZ-O 2.9Å
87I95.6Very high94.4Very high2 Ų252.1 Ų52.11%0.0126%0.261CS..Hα-helixtrans-58.7-49171.4-73.9168.4000110V6 L67 F83 L84 Q89 V90 F91 L117V6-I87 HydrophobicContact CG1-CD1 4.15Å; L67-I87 HydrophobicContact CD2-CB 4.24Å; L67-I87 HydrophobicContact CD2-CG2 3.86Å; F83-I87 HydrophobicContact CD1-CD1 3.7Å; F83-I87 HydrophobicContact CD1-CG1 4.3Å; F83-I87 HydrophobicContact CE1-CD1 3.17Å; F83-I87 HydrophobicContact CE1-CG1 3.87Å; F83-I87 HydrophobicContact CE2-CD1 4.44Å; F83-I87 HydrophobicContact CE2-CG1 4.26Å; F83-I87 HydrophobicContact CZ-CD1 3.6Å; F83-I87 HydrophobicContact CZ-CG1 3.83Å; F83-I87 PolarHBondContact O-N 3.09Å; L84-I87 HydrophobicContact CD2-CD1 4.48Å; L84-I87 PolarHBondContact O-N 2.63Å; I87-Q89 VanDerWaalsContact C-N 3.29Å; I87-Q89 PolarHBondContact O-N 3.21Å; I87-V90 PolarHBondContact O-N 2.77Å; I87-F91 HydrophobicContact CG2-CD1 4.34Å; I87-F91 HydrophobicContact CG2-CD2 3.63Å; I87-F91 HydrophobicContact CG2-CE1 4.11Å; I87-F91 HydrophobicContact CG2-CE2 3.38Å; I87-F91 HydrophobicContact CG2-CG 4.11Å; I87-F91 HydrophobicContact CG2-CZ 3.64Å; I87-F91 WeakPolarHBondContact O-CB 3.42Å; I87-F91 WeakPolarHBondContact O-CG 3.24Å; I87-F91 PolarHBondContact O-N 2.7Å; I87-L117 HydrophobicContact CG1-CD1 4.24Å
88I95.9Very high94.3Very high14 Ų1449.5 Ų49.57%0.07225%0.245CC..Hα-helixtrans-55.4-49176.7-68.3168000109.8I60 H62 L67 L84 Y85 V90 F91 S92 L98I60-I88 HydrophobicContact CD1-CD1 3.32Å; I60-I88 HydrophobicContact CD1-CG1 4.38Å; I60-I88 HydrophobicContact CG1-CD1 4.16Å; H62-I88 HydrophobicContact CB-CD1 3.64Å; H62-I88 HydrophobicContact CB-CG1 4.28Å; L67-I88 HydrophobicContact CD1-CD1 4.15Å; L67-I88 HydrophobicContact CD1-CG1 4Å; L67-I88 HydrophobicContact CD2-CD1 4.26Å; L67-I88 HydrophobicContact CD2-CG1 3.66Å; L67-I88 HydrophobicContact CG-CG1 4.49Å; L84-I88 PolarHBondContact O-N 2.91Å; L84-I88 VanDerWaalsContact O-N 3.15Å; Y85-I88 HydrophobicContact CD1-CD1 4.43Å; Y85-I88 PolarHBondContact O-N 2.89Å; I88-V90 PolarHBondContact O-N 3.39Å; I88-F91 PolarHBondContact O-N 3.37Å; I88-S92 WeakPolarHBondContact O-CB 3.46Å; I88-S92 PolarHBondContact O-N 2.87Å; I88-S92 PolarHBondContact O-OG 3.29Å; I88-S92 VanDerWaalsContact O-OG 3.07Å; I88-L98 HydrophobicContact CB-CD2 4.23Å; I88-L98 HydrophobicContact CG1-CD2 4.14Å; I88-L98 HydrophobicContact CG2-CD2 4.06Å
89Q94.5Very high94.3Very high87 Ų8749 Ų4941%0.40723%0.234SC..Hα-helixtrans-57.6-50.1178.8-173.9-171.1-7.800111.8Y85 K86 I87 F91 S92 E93Y85-Q89 PolarHBondContact O-N 2.8Å; K86-Q89 WeakPolarHBondContact O-CB 3.4Å; K86-Q89 PolarHBondContact O-N 3.3Å; I87-Q89 VanDerWaalsContact C-N 3.29Å; I87-Q89 PolarHBondContact O-N 3.21Å; Q89-F91 PolarHBondContact O-N 3.34Å; Q89-S92 PolarHBondContact O-N 2.95Å; Q89-E93 WeakPolarHBondContact CG-OE1 3.47Å; Q89-E93 PolarHBondContact NE2-OE1 3.01Å; Q89-E93 WeakPolarHBondContact O-CG 3.44Å; Q89-E93 PolarHBondContact O-N 3.39Å
90V94.8Very high94.2Very high0 Ų048.3 Ų48.30%023%0.229CC..Hα-helixtrans-61.2-47.4-180172.60000110.4K86 I87 I88 S92 E93 Y94 L113 L117 T126 L131K86-V90 WeakPolarHBondContact O-CG2 3.25Å; K86-V90 PolarHBondContact O-N 2.9Å; I87-V90 PolarHBondContact O-N 2.77Å; I88-V90 PolarHBondContact O-N 3.39Å; V90-S92 PolarHBondContact O-N 3.14Å; V90-E93 PolarHBondContact O-N 3.13Å; V90-E93 VanDerWaalsContact O-N 3.17Å; V90-Y94 HydrophobicContact CG1-CD2 4.01Å; V90-Y94 HydrophobicContact CG1-CE2 4.04Å; V90-Y94 WeakPolarHBondContact O-CD2 3.28Å; V90-Y94 PolarHBondContact O-N 3.26Å; V90-L113 HydrophobicContact CG1-CD2 4.24Å; V90-L117 HydrophobicContact CG1-CD1 4.47Å; V90-L117 HydrophobicContact CG1-CD2 4.47Å; V90-L117 HydrophobicContact CG2-CD2 4.14Å; V90-T126 VanDerWaalsContact CG2-O 3.31Å; V90-T126 WeakPolarHBondContact CG2-O 3.39Å; V90-L131 HydrophobicContact CG1-CD1 4.11Å
91F94.7Very high94Very high1 Ų154.6 Ų54.60%0.00426%0.258CS..Hα-helixtrans-63.9-41.2179-70.6-2.7000112.3I87 I88 Q89 E93 Y94 F95 L98 I103 I110 L113 M114 L117I87-F91 HydrophobicContact CG2-CD1 4.34Å; I87-F91 HydrophobicContact CG2-CD2 3.63Å; I87-F91 HydrophobicContact CG2-CE1 4.11Å; I87-F91 HydrophobicContact CG2-CE2 3.38Å; I87-F91 HydrophobicContact CG2-CG 4.11Å; I87-F91 HydrophobicContact CG2-CZ 3.64Å; I87-F91 WeakPolarHBondContact O-CB 3.42Å; I87-F91 WeakPolarHBondContact O-CG 3.24Å; I87-F91 PolarHBondContact O-N 2.7Å; I88-F91 PolarHBondContact O-N 3.37Å; Q89-F91 PolarHBondContact O-N 3.34Å; F91-E93 VanDerWaalsContact C-N 3.29Å; F91-E93 PolarHBondContact O-N 3.08Å; F91-Y94 PolarHBondContact O-N 2.81Å; F91-F95 HydrophobicContact CB-CD2 3.98Å; F91-F95 HydrophobicContact CB-CE2 3.98Å; F91-F95 HydrophobicContact CD1-CE2 4.18Å; F91-F95 HydrophobicContact CG-CE2 4.07Å; F91-F95 WeakPolarHBondContact O-CB 3.38Å; F91-F95 WeakPolarHBondContact O-CD2 3.48Å; F91-F95 WeakPolarHBondContact O-CG 3.22Å; F91-F95 PolarHBondContact O-N 2.84Å; F91-L98 HydrophobicContact CB-CD1 3.79Å; F91-L98 HydrophobicContact CB-CD2 3.91Å; F91-L98 HydrophobicContact CB-CG 4.36Å; F91-L98 HydrophobicContact CD2-CD1 3.98Å; F91-L98 HydrophobicContact CD2-CD2 4.27Å; F91-L98 HydrophobicContact CG-CD1 4.37Å; F91-I103 HydrophobicContact CD2-CD1 4.37Å; F91-I103 HydrophobicContact CE2-CD1 4.46Å; F91-I110 HydrophobicContact CE2-CG2 4.21Å; F91-I110 HydrophobicContact CZ-CG2 3.8Å; F91-L113 HydrophobicContact CD1-CD1 4Å; F91-L113 HydrophobicContact CE1-CB 4.01Å; F91-L113 HydrophobicContact CE1-CD1 3.91Å; F91-M114 HydrophobicContact CZ-CG 4.1Å; F91-L117 HydrophobicContact CE1-CD1 4.35Å
92S93.1Very high93.7Very high34 Ų3453.7 Ų53.724%0.23826%0.257CS..Hα-helixtrans-62.7-35.1174-67.90000112.3I88 Q89 V90 K96I88-S92 WeakPolarHBondContact O-CB 3.46Å; I88-S92 PolarHBondContact O-N 2.87Å; I88-S92 PolarHBondContact O-OG 3.29Å; I88-S92 VanDerWaalsContact O-OG 3.07Å; Q89-S92 PolarHBondContact O-N 2.95Å; V90-S92 PolarHBondContact O-N 3.14Å; S92-K96 CarbonylContact O-C 3.57Å; S92-K96 WeakPolarHBondContact O-CA 3.26Å; S92-K96 PolarHBondContact O-N 3.06Å
93E91.2Very high93.6Very high75 Ų7550 Ų5035%0.3523%0.23SC..Hα-helixtrans-72.7-27.5175.9-71.9-178.1-147.500113.1Q89 V90 F91 S128Q89-E93 WeakPolarHBondContact CG-OE1 3.47Å; Q89-E93 PolarHBondContact NE2-OE1 3.01Å; Q89-E93 WeakPolarHBondContact O-CG 3.44Å; Q89-E93 PolarHBondContact O-N 3.39Å; V90-E93 PolarHBondContact O-N 3.13Å; V90-E93 VanDerWaalsContact O-N 3.17Å; F91-E93 VanDerWaalsContact C-N 3.29Å; F91-E93 PolarHBondContact O-N 3.08Å; E93-S128 VanDerWaalsContact CD-OG 3.32Å; E93-S128 VanDerWaalsContact OE2-CB 3.25Å; E93-S128 WeakPolarHBondContact OE2-CB 3.48Å; E93-S128 PolarHBondContact OE2-OG 2.86Å
94Y91.6Very high93.5Very high16 Ų1655.4 Ų55.46%0.06325%0.25CS..Hα-helixtrans-81.5-43.2173.9-89.3-101000113V90 F91 I109 L113 L131 Q132 I135 Q137V90-Y94 HydrophobicContact CG1-CD2 4.01Å; V90-Y94 HydrophobicContact CG1-CE2 4.04Å; V90-Y94 WeakPolarHBondContact O-CD2 3.28Å; V90-Y94 PolarHBondContact O-N 3.26Å; F91-Y94 PolarHBondContact O-N 2.81Å; Y94-I109 HydrophobicContact CD1-CD1 3.7Å; Y94-I109 HydrophobicContact CE1-CD1 3.75Å; Y94-L113 HydrophobicContact CD1-CD1 4.31Å; Y94-L113 HydrophobicContact CD2-CD1 4.31Å; Y94-L113 HydrophobicContact CD2-CD2 4.45Å; Y94-L113 HydrophobicContact CE1-CD1 4.47Å; Y94-L113 HydrophobicContact CE1-CD2 4.29Å; Y94-L113 HydrophobicContact CE2-CD1 4.45Å; Y94-L113 HydrophobicContact CE2-CD2 3.82Å; Y94-L113 HydrophobicContact CG-CD1 4.21Å; Y94-L131 HydrophobicContact CE2-CB 4.39Å; Y94-L131 VanDerWaalsContact OH-CB 3.28Å; Y94-L131 WeakPolarHBondContact OH-CB 3.25Å; Y94-L131 PolarHBondContact OH-O 3.03Å; Y94-Q132 HydrophobicContact CD2-CG 4.41Å; Y94-Q132 HydrophobicContact CE1-CG 3.86Å; Y94-Q132 HydrophobicContact CE2-CG 3.72Å; Y94-Q132 VanDerWaalsContact CZ-CG 3.42Å; Y94-Q132 WeakPolarHBondContact OH-CA 3.39Å; Y94-Q132 WeakPolarHBondContact OH-CG 3.46Å; Y94-Q132 PolarHBondContact OH-N 3.33Å; Y94-I135 WeakPolarHBondContact CE1-O 3.3Å; Y94-I135 PolarHBondContact OH-O 2.9Å; Y94-Q137 HydrophobicContact CD1-CG 4.45Å; Y94-Q137 PolarHBondContact O-NE2 2.82Å
95F90.9Very high93.2Very high26 Ų2660.7 Ų60.711%0.11428%0.279CS..Hα-helixtrans-106.6-5.2-169.4-48.9-51.7000114.1F91 E97 N106 I109 I110 L113F91-F95 HydrophobicContact CB-CD2 3.98Å; F91-F95 HydrophobicContact CB-CE2 3.98Å; F91-F95 HydrophobicContact CD1-CE2 4.18Å; F91-F95 HydrophobicContact CG-CE2 4.07Å; F91-F95 WeakPolarHBondContact O-CB 3.38Å; F91-F95 WeakPolarHBondContact O-CD2 3.48Å; F91-F95 WeakPolarHBondContact O-CG 3.22Å; F91-F95 PolarHBondContact O-N 2.84Å; F95-E97 PolarHBondContact O-N 2.91Å; F95-N106 HydrophobicContact CD1-CB 4.11Å; F95-N106 HydrophobicContact CE1-CB 3.49Å; F95-N106 VanDerWaalsContact CE1-CB 3.49Å; F95-N106 HydrophobicContact CZ-CB 3.83Å; F95-I109 HydrophobicContact CE1-CG2 3.82Å; F95-I109 HydrophobicContact CZ-CG2 3.9Å; F95-I110 HydrophobicContact CE2-CD1 4.05Å; F95-I110 HydrophobicContact CE2-CG1 3.79Å; F95-I110 HydrophobicContact CZ-CD1 4.15Å; F95-I110 HydrophobicContact CZ-CG1 3.65Å; F95-L113 HydrophobicContact CZ-CD1 4.38Å
96K89Confident93Very high188 Ų18856.2 Ų56.282%0.81727%0.265SS*.SBendtrans68.2-57.7-171.1-52.1170.2-176.91690112.9S92S92-K96 CarbonylContact O-C 3.57Å; S92-K96 WeakPolarHBondContact O-CA 3.26Å; S92-K96 PolarHBondContact O-N 3.06Å
97E90.1Very high92.8Very high136 Ų13659.8 Ų59.864%0.63628%0.28SS*.SBendtrans-113.6132.9175.7-68.3-179172.600109.4F95 S102F95-E97 PolarHBondContact O-N 2.91Å; E97-S102 WeakPolarHBondContact O-CB 3.48Å; E97-S102 PolarHBondContact O-OG 3.33Å
98L93.3Very high92.6Very high2 Ų263.6 Ų63.61%0.0130%0.303CS..  trans-108.998.8-179.2179.860.7000109.4N63 L65 I88 F91 I103N63-L98 PolarHBondContact ND2-O 2.95Å; L65-L98 HydrophobicContact CD1-CD1 4.08Å; L65-L98 HydrophobicContact CD1-CG 3.85Å; I88-L98 HydrophobicContact CB-CD2 4.23Å; I88-L98 HydrophobicContact CG1-CD2 4.14Å; I88-L98 HydrophobicContact CG2-CD2 4.06Å; F91-L98 HydrophobicContact CB-CD1 3.79Å; F91-L98 HydrophobicContact CB-CD2 3.91Å; F91-L98 HydrophobicContact CB-CG 4.36Å; F91-L98 HydrophobicContact CD2-CD1 3.98Å; F91-L98 HydrophobicContact CD2-CD2 4.27Å; F91-L98 HydrophobicContact CG-CD1 4.37Å; L98-I103 HydrophobicContact CD1-CD1 3.69Å; L98-I103 HydrophobicContact CD1-CG1 4.39Å
99E94.6Very high92.4Very high73 Ų7363.5 Ų63.534%0.34130%0.303SS..SBendtrans-137.9176.6-179.9-57.5-167.5171.200110.9N64 E101 S102 I103N64-E99 WeakPolarHBondContact OD1-CA 3.42Å; E99-E101 VanDerWaalsContact C-N 3.28Å; E99-E101 PolarHBondContact O-N 3.12Å; E99-S102 PolarHBondContact N-OG 3.23Å; E99-S102 WeakPolarHBondContact O-CB 3.16Å; E99-S102 PolarHBondContact O-N 2.94Å; E99-I103 PolarHBondContact O-N 3Å
100E93.7Very high92.4Very high48 Ų4859.4 Ų59.422%0.22428%0.284CS..Hα-helixtrans-53.6-40.9178.4-176.5178.6150.800113.6L16 N64 L65 I103 R104L16-E100 HydrophobicContact CD1-CB 4.26Å; L16-E100 HydrophobicContact CD1-CG 3.88Å; L16-E100 HydrophobicContact CD2-CG 3.96Å; N64-E100 PolarHBondContact OD1-N 3.18Å; L65-E100 HydrophobicContact CD2-CB 4.3Å; E100-I103 PolarHBondContact O-N 3.45Å; E100-R104 PolarHBondContact O-N 3.1Å; E100-R104 IonicContact OE1-CZ 3.4Å; E100-R104 IonicContact OE1-NE 3.16Å; E100-R104 IonicContact OE1-NH1 3.43Å; E100-R104 PolarHBondContact OE1-NH1 3.31Å; E100-R104 IonicContact OE1-NH2 3.49Å; E100-R104 PolarHBondContact OE1-NH2 2.74Å
101E91.9Very high92.4Very high133 Ų13364 Ų6462%0.62130%0.302SS*.Hα-helixtrans-64.6-46.1177.3-173.1171.2-159.200111.2E99 I103 R104 D105E99-E101 VanDerWaalsContact C-N 3.28Å; E99-E101 PolarHBondContact O-N 3.12Å; E101-I103 PolarHBondContact O-N 2.79Å; E101-R104 PolarHBondContact O-N 2.95Å; E101-D105 PolarHBondContact O-N 2.7Å
102S92.6Very high92.3Very high20 Ų2068.5 Ų68.514%0.1432%0.323CS..Hα-helixtrans-54.6-39.6176.2-44.40000112E97 E99 N106E97-S102 WeakPolarHBondContact O-CB 3.48Å; E97-S102 PolarHBondContact O-OG 3.33Å; E99-S102 PolarHBondContact N-OG 3.23Å; E99-S102 WeakPolarHBondContact O-CB 3.16Å; E99-S102 PolarHBondContact O-N 2.94Å; S102-N106 VanDerWaalsContact O-CB 3.3Å; S102-N106 WeakPolarHBondContact O-CB 3.35Å; S102-N106 PolarHBondContact O-N 2.69Å; S102-N106 PolarHBondContact O-ND2 2.79Å
103I93.5Very high92.4Very high3 Ų366.9 Ų66.92%0.01531%0.312CS..Hα-helixtrans-69-43.4178.4-59.1-62.5000111.9V8 L16 V17 L65 F91 L98 E99 E100 E101 F107 I110V8-I103 HydrophobicContact CG1-CD1 4.31Å; V8-I103 HydrophobicContact CG1-CG1 4.24Å; L16-I103 HydrophobicContact CB-CG2 3.75Å; L16-I103 HydrophobicContact CD1-CB 4.42Å; L16-I103 HydrophobicContact CD1-CG2 4.47Å; V17-I103 HydrophobicContact CB-CG2 4.21Å; V17-I103 HydrophobicContact CG1-CG2 3.86Å; L65-I103 HydrophobicContact CD1-CD1 4.5Å; L65-I103 HydrophobicContact CD1-CG1 4.07Å; L65-I103 HydrophobicContact CD2-CG1 4.5Å; F91-I103 HydrophobicContact CD2-CD1 4.37Å; F91-I103 HydrophobicContact CE2-CD1 4.46Å; L98-I103 HydrophobicContact CD1-CD1 3.69Å; L98-I103 HydrophobicContact CD1-CG1 4.39Å; E99-I103 PolarHBondContact O-N 3Å; E100-I103 PolarHBondContact O-N 3.45Å; E101-I103 PolarHBondContact O-N 2.79Å; I103-F107 PolarHBondContact O-N 3.29Å; I103-I110 HydrophobicContact CB-CD1 4.27Å; I103-I110 HydrophobicContact CD1-CD1 3.69Å; I103-I110 HydrophobicContact CG2-CD1 4.18Å
104R92.4Very high92.6Very high121 Ų12163.4 Ų63.446%0.45730%0.295SS..Hα-helixtrans-68.3-42.8-177.3-74.6-177.3174.8148.810.9112.4E100 E101 N106E100-R104 PolarHBondContact O-N 3.1Å; E100-R104 IonicContact OE1-CZ 3.4Å; E100-R104 IonicContact OE1-NE 3.16Å; E100-R104 IonicContact OE1-NH1 3.43Å; E100-R104 PolarHBondContact OE1-NH1 3.31Å; E100-R104 IonicContact OE1-NH2 3.49Å; E100-R104 PolarHBondContact OE1-NH2 2.74Å; E101-R104 PolarHBondContact O-N 2.95Å; R104-N106 VanDerWaalsContact C-N 3.32Å; R104-N106 PolarHBondContact O-N 3.2Å
105D92.1Very high92.6Very high112 Ų11266.5 Ų66.560%0.59931%0.313SS*.Hα-helixtrans-76-24.7-175.2-68.7-10.9000112.4E101E101-D105 PolarHBondContact O-N 2.7Å
106N92.3Very high92.7Very high49 Ų4968.8 Ų68.826%0.26232%0.324SS..THydrogen-bonded Turntrans-11526.1-173.7-58.6-80.4000113.3F95 S102 R104 V108 I109 I110F95-N106 HydrophobicContact CD1-CB 4.11Å; F95-N106 HydrophobicContact CE1-CB 3.49Å; F95-N106 VanDerWaalsContact CE1-CB 3.49Å; F95-N106 HydrophobicContact CZ-CB 3.83Å; S102-N106 VanDerWaalsContact O-CB 3.3Å; S102-N106 WeakPolarHBondContact O-CB 3.35Å; S102-N106 PolarHBondContact O-N 2.69Å; S102-N106 PolarHBondContact O-ND2 2.79Å; R104-N106 VanDerWaalsContact C-N 3.32Å; R104-N106 PolarHBondContact O-N 3.2Å; N106-V108 VanDerWaalsContact C-N 3.26Å; N106-V108 PolarHBondContact O-N 2.82Å; N106-V108 VanDerWaalsContact O-N 3.16Å; N106-I109 HydrophobicContact CB-CG2 3.68Å; N106-I109 WeakPolarHBondContact O-CG2 3.28Å; N106-I109 PolarHBondContact O-N 2.83Å; N106-I110 HydrophobicContact CB-CD1 4.19Å; N106-I110 HydrophobicContact CB-CG1 4.48Å; N106-I110 WeakPolarHBondContact O-CD1 3.19Å; N106-I110 VanDerWaalsContact O-CG1 3.27Å; N106-I110 WeakPolarHBondContact O-CG1 3.37Å; N106-I110 PolarHBondContact O-N 3.33Å
107F91.5Very high93Very high116 Ų11659.9 Ų59.951%0.50929%0.285SS..Hα-helixtrans-57-35.9-172.773.9-86.4000113.8I103 I110 Y111I103-F107 PolarHBondContact O-N 3.29Å; F107-I110 PolarHBondContact O-N 3.39Å; F107-Y111 HydrophobicContact CD2-CD2 4.37Å; F107-Y111 HydrophobicContact CD2-CE2 4.42Å; F107-Y111 WeakPolarHBondContact O-CD2 3.4Å; F107-Y111 PolarHBondContact O-N 2.96Å
108V91.3Very high93.2Very high81 Ų8153.5 Ų53.549%0.49126%0.255SS..Hα-helixtrans-61.6-56.4-179.7179.60000110.8N106 I110 Y111 E112N106-V108 VanDerWaalsContact C-N 3.26Å; N106-V108 PolarHBondContact O-N 2.82Å; N106-V108 VanDerWaalsContact O-N 3.16Å; V108-I110 VanDerWaalsContact C-N 3.26Å; V108-I110 PolarHBondContact O-N 3.48Å; V108-Y111 PolarHBondContact O-N 3.14Å; V108-Y111 VanDerWaalsContact O-N 3.16Å; V108-E112 PolarHBondContact O-N 2.92Å; V108-E112 VanDerWaalsContact O-N 3.14Å
109I91.8Very high93.3Very high13 Ų1358.4 Ų58.47%0.06728%0.282CS..Hα-helixtrans-65.9-31-179.8-173.6169.3000111.8Y94 F95 N106 E112 L113 I135 Q137Y94-I109 HydrophobicContact CD1-CD1 3.7Å; Y94-I109 HydrophobicContact CE1-CD1 3.75Å; F95-I109 HydrophobicContact CE1-CG2 3.82Å; F95-I109 HydrophobicContact CZ-CG2 3.9Å; N106-I109 HydrophobicContact CB-CG2 3.68Å; N106-I109 WeakPolarHBondContact O-CG2 3.28Å; N106-I109 PolarHBondContact O-N 2.83Å; I109-E112 PolarHBondContact O-N 3.05Å; I109-L113 HydrophobicContact CG1-CD1 4.12Å; I109-L113 HydrophobicContact CG1-CG 4.25Å; I109-L113 WeakPolarHBondContact O-CB 3.25Å; I109-L113 WeakPolarHBondContact O-CG 3.18Å; I109-L113 PolarHBondContact O-N 2.91Å; I109-I135 HydrophobicContact CD1-CG2 4.29Å; I109-I135 HydrophobicContact CG1-CG2 3.87Å; I109-Q137 HydrophobicContact CD1-CB 4.37Å; I109-Q137 HydrophobicContact CD1-CG 3.39Å
110I94.7Very high93.2Very high0 Ų059.6 Ų59.60%029%0.286CS..Hα-helixtrans-64.5-42174.5-70.3166.8000111V17 F91 F95 I103 N106 F107 V108 L113 M114V17-I110 HydrophobicContact CG1-CG2 4.07Å; V17-I110 HydrophobicContact CG2-CG2 4.09Å; F91-I110 HydrophobicContact CE2-CG2 4.21Å; F91-I110 HydrophobicContact CZ-CG2 3.8Å; F95-I110 HydrophobicContact CE2-CD1 4.05Å; F95-I110 HydrophobicContact CE2-CG1 3.79Å; F95-I110 HydrophobicContact CZ-CD1 4.15Å; F95-I110 HydrophobicContact CZ-CG1 3.65Å; I103-I110 HydrophobicContact CB-CD1 4.27Å; I103-I110 HydrophobicContact CD1-CD1 3.69Å; I103-I110 HydrophobicContact CG2-CD1 4.18Å; N106-I110 HydrophobicContact CB-CD1 4.19Å; N106-I110 HydrophobicContact CB-CG1 4.48Å; N106-I110 WeakPolarHBondContact O-CD1 3.19Å; N106-I110 VanDerWaalsContact O-CG1 3.27Å; N106-I110 WeakPolarHBondContact O-CG1 3.37Å; N106-I110 PolarHBondContact O-N 3.33Å; F107-I110 PolarHBondContact O-N 3.39Å; V108-I110 VanDerWaalsContact C-N 3.26Å; V108-I110 PolarHBondContact O-N 3.48Å; I110-L113 PolarHBondContact O-N 3.02Å; I110-M114 HydrophobicContact CG2-CG 4.27Å; I110-M114 HydrophobicContact CG2-SD 4.08Å; I110-M114 WeakPolarHBondContact O-CB 3.35Å; I110-M114 VanDerWaalsContact O-CG 3.24Å; I110-M114 WeakPolarHBondContact O-CG 3.5Å; I110-M114 PolarHBondContact O-N 2.71Å
111Y94.1Very high93.1Very high98 Ų9857.3 Ų57.338%0.38428%0.275SS..Hα-helixtrans-63.4-42.4175-83.4-65.9000112.1V17 C18 F107 V108 M114 D115V17-Y111 HydrophobicContact CG2-CD1 4.34Å; V17-Y111 HydrophobicContact CG2-CE1 3.82Å; V17-Y111 HydrophobicContact CG2-CE2 4.04Å; C18-Y111 WeakPolarHBondContact O-CE1 3.35Å; F107-Y111 HydrophobicContact CD2-CD2 4.37Å; F107-Y111 HydrophobicContact CD2-CE2 4.42Å; F107-Y111 WeakPolarHBondContact O-CD2 3.4Å; F107-Y111 PolarHBondContact O-N 2.96Å; V108-Y111 PolarHBondContact O-N 3.14Å; V108-Y111 VanDerWaalsContact O-N 3.16Å; Y111-M114 PolarHBondContact O-N 2.91Å; Y111-D115 WeakPolarHBondContact O-CB 3.37Å; Y111-D115 PolarHBondContact O-N 2.72Å
112E93.3Very high93.2Very high95 Ų9555.9 Ų55.944%0.44427%0.265SS..Hα-helixtrans-60.9-47.1174.9-67.9177.3179.500111.4V108 I109 M114 D115 E116 I135V108-E112 PolarHBondContact O-N 2.92Å; V108-E112 VanDerWaalsContact O-N 3.14Å; I109-E112 PolarHBondContact O-N 3.05Å; E112-M114 PolarHBondContact O-N 3.22Å; E112-D115 PolarHBondContact O-N 2.79Å; E112-E116 PolarHBondContact O-N 3.4Å; E112-I135 HydrophobicContact CB-CG2 4.16Å
113L94.7Very high93.3Very high0 Ų056.7 Ų56.70%027%0.27CS..Hα-helixtrans-60.4-47176-73.6169.6000111.5V90 F91 Y94 F95 I109 I110 D115 E116 L117 L131 I135V90-L113 HydrophobicContact CG1-CD2 4.24Å; F91-L113 HydrophobicContact CD1-CD1 4Å; F91-L113 HydrophobicContact CE1-CB 4.01Å; F91-L113 HydrophobicContact CE1-CD1 3.91Å; Y94-L113 HydrophobicContact CD1-CD1 4.31Å; Y94-L113 HydrophobicContact CD2-CD1 4.31Å; Y94-L113 HydrophobicContact CD2-CD2 4.45Å; Y94-L113 HydrophobicContact CE1-CD1 4.47Å; Y94-L113 HydrophobicContact CE1-CD2 4.29Å; Y94-L113 HydrophobicContact CE2-CD1 4.45Å; Y94-L113 HydrophobicContact CE2-CD2 3.82Å; Y94-L113 HydrophobicContact CG-CD1 4.21Å; F95-L113 HydrophobicContact CZ-CD1 4.38Å; I109-L113 HydrophobicContact CG1-CD1 4.12Å; I109-L113 HydrophobicContact CG1-CG 4.25Å; I109-L113 WeakPolarHBondContact O-CB 3.25Å; I109-L113 WeakPolarHBondContact O-CG 3.18Å; I109-L113 PolarHBondContact O-N 2.91Å; I110-L113 PolarHBondContact O-N 3.02Å; L113-D115 PolarHBondContact O-N 2.96Å; L113-E116 PolarHBondContact O-N 3.45Å; L113-L117 HydrophobicContact CB-CD1 4.22Å; L113-L117 WeakPolarHBondContact O-CB 3.47Å; L113-L117 VanDerWaalsContact O-CD1 3.32Å; L113-L117 WeakPolarHBondContact O-CD1 3.26Å; L113-L117 WeakPolarHBondContact O-CG 3.38Å; L113-L117 PolarHBondContact O-N 3.26Å; L113-L131 HydrophobicContact CD2-CD1 4.19Å; L113-I135 HydrophobicContact CD2-CD1 3.98Å; L113-I135 HydrophobicContact CD2-CG2 4.07Å; L113-I135 HydrophobicContact CG-CG2 4.2Å
114M94.7Very high93.2Very high1 Ų161.9 Ų61.91%0.00529%0.294CS..Hα-helixtrans-63.5-31.2-179.9-74-173.784.300112.4V6 V17 R19 Y21 F91 I110 Y111 E112V6-M114 HydrophobicContact CB-CE 3.91Å; V6-M114 HydrophobicContact CG1-CE 3.88Å; V17-M114 HydrophobicContact CG1-SD 4.41Å; V17-M114 HydrophobicContact CG2-SD 4.12Å; R19-M114 HydrophobicContact CB-CB 4.27Å; R19-M114 HydrophobicContact CB-CE 3.46Å; R19-M114 VanDerWaalsContact CB-CE 3.46Å; R19-M114 HydrophobicContact CB-SD 4.07Å; R19-M114 HydrophobicContact CG-CB 4.29Å; Y21-M114 VanDerWaalsContact CE1-O 3.32Å; Y21-M114 WeakPolarHBondContact CE1-O 3.23Å; Y21-M114 PolarHBondContact OH-O 2.77Å; F91-M114 HydrophobicContact CZ-CG 4.1Å; I110-M114 HydrophobicContact CG2-CG 4.27Å; I110-M114 HydrophobicContact CG2-SD 4.08Å; I110-M114 WeakPolarHBondContact O-CB 3.35Å; I110-M114 VanDerWaalsContact O-CG 3.24Å; I110-M114 WeakPolarHBondContact O-CG 3.5Å; I110-M114 PolarHBondContact O-N 2.71Å; Y111-M114 PolarHBondContact O-N 2.91Å; E112-M114 PolarHBondContact O-N 3.22Å
115D93.2Very high93.1Very high81 Ų8157.3 Ų57.343%0.43328%0.28SS..Hα-helixtrans-71.7-42.2175.5-154.550.3000112R19 Y111 E112 L113R19-D115 IonicContact CZ-OD1 2.85Å; R19-D115 IonicContact NE-OD1 3.66Å; R19-D115 PolarHBondContact NE-OD1 3.23Å; R19-D115 IonicContact NH2-OD1 2.93Å; R19-D115 PolarHBondContact NH2-OD1 3.1Å; Y111-D115 WeakPolarHBondContact O-CB 3.37Å; Y111-D115 PolarHBondContact O-N 2.72Å; E112-D115 PolarHBondContact O-N 2.79Å; L113-D115 PolarHBondContact O-N 2.96Å
116E93.1Very high93.1Very high74 Ų7453.5 Ų53.535%0.34626%0.26SS..Hα-helixtrans-78-29.6-179.2-75.4-72.8155.400113.5E112 L113 M118 L131 Y134 I135E112-E116 PolarHBondContact O-N 3.4Å; L113-E116 PolarHBondContact O-N 3.45Å; E116-M118 PolarHBondContact O-N 3.16Å; E116-L131 HydrophobicContact CB-CD2 4.37Å; E116-Y134 HydrophobicContact CG-CE2 4.17Å; E116-Y134 PolarHBondContact OE2-OH 2.92Å; E116-I135 HydrophobicContact CB-CD1 3.7Å; E116-I135 HydrophobicContact CG-CD1 3.66Å
117L94.7Very high93Very high1 Ų152.3 Ų52.31%0.00525%0.254CS..Hα-helixtrans-70.5-31.1-179.1-77.6167.1000112.7F83 I87 V90 F91 L113 P123 Q124 T125 T126 L131F83-L117 HydrophobicContact CE2-CB 4.03Å; F83-L117 HydrophobicContact CZ-CB 3.99Å; I87-L117 HydrophobicContact CG1-CD1 4.24Å; V90-L117 HydrophobicContact CG1-CD1 4.47Å; V90-L117 HydrophobicContact CG1-CD2 4.47Å; V90-L117 HydrophobicContact CG2-CD2 4.14Å; F91-L117 HydrophobicContact CE1-CD1 4.35Å; L113-L117 HydrophobicContact CB-CD1 4.22Å; L113-L117 WeakPolarHBondContact O-CB 3.47Å; L113-L117 VanDerWaalsContact O-CD1 3.32Å; L113-L117 WeakPolarHBondContact O-CD1 3.26Å; L113-L117 WeakPolarHBondContact O-CG 3.38Å; L113-L117 PolarHBondContact O-N 3.26Å; L117-P123 CarbonylContact O-C 3.51Å; L117-P123 VanDerWaalsContact O-CA 3.31Å; L117-P123 WeakPolarHBondContact O-CA 3.35Å; L117-Q124 PolarHBondContact O-N 2.85Å; L117-T125 WeakPolarHBondContact CD2-O 3.36Å; L117-T126 HydrophobicContact CD2-CG2 3.94Å; L117-L131 HydrophobicContact CD2-CD1 3.9Å; L117-L131 HydrophobicContact CG-CD1 4.46Å
118M94.8Very high93Very high2 Ų247 Ų471%0.0123%0.232CC..EExtended strand (participates in β ladder)trans-150.6132.4-173.4173.6175.6-75.500111.5A3 Y21 F83 E116 G121 Y122 P123A3-M118 HydrophobicContact CB-CE 4.44Å; A3-M118 HydrophobicContact CB-SD 4.21Å; Y21-M118 HydrophobicContact CD1-CB 4.33Å; Y21-M118 HydrophobicContact CD1-CG 3.93Å; Y21-M118 VanDerWaalsContact CD1-O 3.32Å; Y21-M118 WeakPolarHBondContact CD1-O 3.43Å; Y21-M118 HydrophobicContact CD1-SD 4.38Å; Y21-M118 HydrophobicContact CD2-CG 4.29Å; Y21-M118 HydrophobicContact CD2-SD 3.65Å; Y21-M118 HydrophobicContact CE1-CB 3.77Å; Y21-M118 HydrophobicContact CE1-CG 3.86Å; Y21-M118 WeakPolarHBondContact CE1-O 3.47Å; Y21-M118 HydrophobicContact CE1-SD 4.35Å; Y21-M118 HydrophobicContact CE2-CB 4.46Å; Y21-M118 HydrophobicContact CE2-CG 4.2Å; Y21-M118 HydrophobicContact CE2-SD 3.6Å; Y21-M118 VanDerWaalsContact CE2-SD 3.6Å; Y21-M118 HydrophobicContact CG-CG 4.14Å; Y21-M118 HydrophobicContact CG-SD 4.04Å; F83-M118 HydrophobicContact CD1-CE 3.3Å; F83-M118 HydrophobicContact CD1-SD 4.48Å; F83-M118 HydrophobicContact CD2-CE 4.12Å; F83-M118 HydrophobicContact CE1-CB 4.22Å; F83-M118 HydrophobicContact CE1-CE 3.2Å; F83-M118 HydrophobicContact CE1-SD 3.89Å; F83-M118 HydrophobicContact CE2-CB 4.16Å; F83-M118 HydrophobicContact CE2-CE 4.06Å; F83-M118 HydrophobicContact CG-CE 3.76Å; F83-M118 HydrophobicContact CZ-CB 3.6Å; F83-M118 HydrophobicContact CZ-CE 3.62Å; F83-M118 HydrophobicContact CZ-CG 4.46Å; F83-M118 HydrophobicContact CZ-SD 4.25Å; E116-M118 PolarHBondContact O-N 3.16Å; M118-G121 VanDerWaalsContact SD-CA 3.56Å; M118-Y122 WeakPolarHBondContact CA-O 3.47Å; M118-P123 HydrophobicContact CE-CG 3.84Å
119D94Very high92.8Very high106 Ų10646.6 Ų46.657%0.56722%0.223SC*.EExtended strand (participates in β ladder)trans-120.3129.8171-174.812.9000109.9G121 Y122 Q124D119-G121 PolarHBondContact O-N 2.98Å; D119-Y122 PolarHBondContact N-O 2.96Å; D119-Y122 WeakPolarHBondContact O-CB 3.34Å; D119-Y122 PolarHBondContact O-N 3Å; D119-Q124 HydrophobicContact CB-CG 4.02Å
120F93.5Very high92.6Very high97 Ų9746.2 Ų46.243%0.42522%0.221SC..THydrogen-bonded Turntrans48.931.7179.2-162.4-112.7000115.2Y21 R22 Y122Y21-F120 WeakPolarHBondContact O-CD2 3.24Å; R22-F120 HydrophobicContact CB-CD2 4.4Å; R22-F120 HydrophobicContact CB-CE2 4.14Å; R22-F120 HydrophobicContact CG-CD2 3.88Å; R22-F120 HydrophobicContact CG-CE2 3.98Å; R22-F120 HydrophobicContact CG-CG 4.29Å; R22-F120 HydrophobicContact CG-CZ 4.48Å; F120-Y122 HydrophobicContact CB-CD2 4.48Å; F120-Y122 HydrophobicContact CD1-CD2 4.48Å; F120-Y122 HydrophobicContact CD1-CE2 4Å
121G90.7Very high92.4Very high0 Ų046.2 Ų46.20%022%0.221CC..THydrogen-bonded Turntrans86.75.4-178.200000115S2 A3 M118 D119S2-G121 WeakPolarHBondContact CB-O 3.42Å; S2-G121 PolarHBondContact OG-O 2.84Å; A3-G121 VanDerWaalsContact O-CA 3.27Å; A3-G121 WeakPolarHBondContact O-CA 3.44Å; M118-G121 VanDerWaalsContact SD-CA 3.56Å; D119-G121 PolarHBondContact O-N 2.98Å
122Y93.7Very high92.1Very high103 Ų10345.4 Ų45.440%0.40422%0.221SC..EExtended strand (participates in β ladder)trans-108.2117.3176.1-59.7-72.8000110M118 D119 F120 Q124M118-Y122 WeakPolarHBondContact CA-O 3.47Å; D119-Y122 PolarHBondContact N-O 2.96Å; D119-Y122 WeakPolarHBondContact O-CB 3.34Å; D119-Y122 PolarHBondContact O-N 3Å; F120-Y122 HydrophobicContact CB-CD2 4.48Å; F120-Y122 HydrophobicContact CD1-CD2 4.48Å; F120-Y122 HydrophobicContact CD1-CE2 4Å; Y122-Q124 PolarHBondContact O-N 3.27Å; Y122-Q124 PolarHBondContact O-NE2 2.94Å
123P94.6Very high91.7Very high38 Ų3845 Ų4525%0.24722%0.219CC..EExtended strand (participates in β ladder)trans-57.1133.1173.4-25.135.7000111.4L79 F83 L117 M118 T126L79-P123 HydrophobicContact CD1-CG 4Å; L79-P123 HydrophobicContact CG-CG 4.43Å; F83-P123 HydrophobicContact CB-CG 4.12Å; F83-P123 HydrophobicContact CD2-CB 3.7Å; F83-P123 HydrophobicContact CD2-CG 3.56Å; F83-P123 HydrophobicContact CE2-CB 4Å; F83-P123 HydrophobicContact CE2-CG 4.15Å; F83-P123 HydrophobicContact CG-CG 3.93Å; L117-P123 CarbonylContact O-C 3.51Å; L117-P123 VanDerWaalsContact O-CA 3.31Å; L117-P123 WeakPolarHBondContact O-CA 3.35Å; M118-P123 HydrophobicContact CE-CG 3.84Å; P123-T126 HydrophobicContact CB-CG2 4.33Å
124Q91.7Very high91.3Very high111 Ų11146.2 Ų46.252%0.51922%0.224SC..  trans-108.6-106.4179.3-56.5-57.3-49.400109.4L117 D119 Y122 T126L117-Q124 PolarHBondContact O-N 2.85Å; D119-Q124 HydrophobicContact CB-CG 4.02Å; Y122-Q124 PolarHBondContact O-N 3.27Å; Y122-Q124 PolarHBondContact O-NE2 2.94Å; Q124-T126 PolarHBondContact O-N 2.88Å
125T90.6Very high90.9Very high25 Ų2546.5 Ų46.515%0.15323%0.225CC..  trans-87.4111.1-178.3-52.80000109.6L117 L131 V153L117-T125 WeakPolarHBondContact CD2-O 3.36Å; T125-L131 HydrophobicContact CG2-CD2 3.59Å; T125-L131 HydrophobicContact CG2-CG 4.09Å; T125-V153 HydrophobicContact CG2-CG2 4.48Å; T125-V153 WeakPolarHBondContact OG1-CG1 3.44Å
126T92.1Very high90.3Very high32 Ų3245 Ų4520%0.19622%0.219CC..  trans-115.51.4-178.9640000114.1F83 K86 V90 L117 P123 Q124 S128F83-T126 HydrophobicContact CD2-CG2 4.47Å; F83-T126 HydrophobicContact CE2-CG2 4.31Å; K86-T126 WeakPolarHBondContact CE-O 3.39Å; K86-T126 WeakPolarHBondContact CE-OG1 3.21Å; K86-T126 HydrophobicContact CG-CG2 4.18Å; K86-T126 PolarHBondContact NZ-O 2.9Å; V90-T126 VanDerWaalsContact CG2-O 3.31Å; V90-T126 WeakPolarHBondContact CG2-O 3.39Å; L117-T126 HydrophobicContact CD2-CG2 3.94Å; P123-T126 HydrophobicContact CB-CG2 4.33Å; Q124-T126 PolarHBondContact O-N 2.88Å; T126-S128 PolarHBondContact O-N 3.27Å
127D90.8Very high89.3Confident24 Ų2446.7 Ų46.713%0.12823%0.227CC..  trans-82.797.4177.6-72.4-47.8000110.3K129 I130 L131 Q240D127-K129 VanDerWaalsContact C-N 3.29Å; D127-K129 PolarHBondContact O-N 2.79Å; D127-I130 HydrophobicContact CB-CB 4.37Å; D127-I130 HydrophobicContact CB-CG1 4.07Å; D127-I130 WeakPolarHBondContact O-CA 3.38Å; D127-I130 WeakPolarHBondContact O-CB 3.41Å; D127-I130 PolarHBondContact O-N 2.48Å; D127-L131 WeakPolarHBondContact O-CG 3.34Å; D127-L131 PolarHBondContact O-N 2.85Å; D127-Q240 PolarHBondContact OD1-NE2 3.21Å; D127-Q240 PolarHBondContact OD2-NE2 3.11Å
128S90.4Very high87.9Confident6 Ų654.5 Ų54.54%0.04226%0.264CS..Hα-helixtrans-42-47.3176.9470000114.3E93 T126 I130 L131 Q132E93-S128 VanDerWaalsContact CD-OG 3.32Å; E93-S128 VanDerWaalsContact OE2-CB 3.25Å; E93-S128 WeakPolarHBondContact OE2-CB 3.48Å; E93-S128 PolarHBondContact OE2-OG 2.86Å; T126-S128 PolarHBondContact O-N 3.27Å; S128-I130 PolarHBondContact O-N 3.07Å; S128-L131 WeakPolarHBondContact O-CB 3.49Å; S128-L131 PolarHBondContact O-N 3.09Å; S128-Q132 WeakPolarHBondContact O-CB 3.48Å; S128-Q132 VanDerWaalsContact O-CG 3.25Å; S128-Q132 WeakPolarHBondContact O-CG 3.37Å; S128-Q132 PolarHBondContact O-N 3.49Å
129K87.9Confident85.6Confident72 Ų7258.3 Ų58.331%0.31330%0.303SS..Hα-helixtrans-62.8-29.5-179.6-68.2179.8-175.7162.50113.2D127 D259 E261D127-K129 VanDerWaalsContact C-N 3.29Å; D127-K129 PolarHBondContact O-N 2.79Å; K129-D259 WeakPolarHBondContact CD-O 3.4Å; K129-D259 WeakPolarHBondContact CE-O 3.39Å; K129-D259 PolarHBondContact NZ-O 2.98Å; K129-E261 PolarHBondContact NZ-O 3.08Å
130I88.5Confident83.4Confident5 Ų559.1 Ų59.13%0.02630%0.303CS..Hα-helixtrans-83.6-40.2175.5-55.2-52.4000110.2D127 S128 Q132 E133 Y134 T152 V153 S158D127-I130 HydrophobicContact CB-CB 4.37Å; D127-I130 HydrophobicContact CB-CG1 4.07Å; D127-I130 WeakPolarHBondContact O-CA 3.38Å; D127-I130 WeakPolarHBondContact O-CB 3.41Å; D127-I130 PolarHBondContact O-N 2.48Å; S128-I130 PolarHBondContact O-N 3.07Å; I130-Q132 PolarHBondContact O-N 2.81Å; I130-E133 WeakPolarHBondContact O-CB 3.45Å; I130-E133 PolarHBondContact O-N 2.91Å; I130-E133 VanDerWaalsContact O-N 3.1Å; I130-Y134 WeakPolarHBondContact O-CD1 3.34Å; I130-T152 HydrophobicContact CD1-CG2 3.73Å; I130-T152 HydrophobicContact CG1-CG2 4.19Å; I130-T152 HydrophobicContact CG2-CG2 4.43Å; I130-V153 HydrophobicContact CG2-CG2 3.82Å; I130-S158 WeakPolarHBondContact CG1-O 3.31Å
131L88.9Confident80.9Confident0 Ų063.4 Ų63.40%032%0.322CS..Hα-helixtrans-56.9-38.5173.5-66.5174000111.3V90 Y94 L113 E116 L117 T125 D127 S128 E133 Y134 I135V90-L131 HydrophobicContact CG1-CD1 4.11Å; Y94-L131 HydrophobicContact CE2-CB 4.39Å; Y94-L131 VanDerWaalsContact OH-CB 3.28Å; Y94-L131 WeakPolarHBondContact OH-CB 3.25Å; Y94-L131 PolarHBondContact OH-O 3.03Å; L113-L131 HydrophobicContact CD2-CD1 4.19Å; E116-L131 HydrophobicContact CB-CD2 4.37Å; L117-L131 HydrophobicContact CD2-CD1 3.9Å; L117-L131 HydrophobicContact CG-CD1 4.46Å; T125-L131 HydrophobicContact CG2-CD2 3.59Å; T125-L131 HydrophobicContact CG2-CG 4.09Å; D127-L131 WeakPolarHBondContact O-CG 3.34Å; D127-L131 PolarHBondContact O-N 2.85Å; S128-L131 WeakPolarHBondContact O-CB 3.49Å; S128-L131 PolarHBondContact O-N 3.09Å; L131-E133 PolarHBondContact O-N 2.79Å; L131-E133 VanDerWaalsContact O-N 3.11Å; L131-Y134 HydrophobicContact CD2-CE1 4.17Å; L131-Y134 VanDerWaalsContact CD2-OH 3.3Å; L131-Y134 WeakPolarHBondContact CD2-OH 3.27Å; L131-Y134 PolarHBondContact O-N 2.81Å; L131-Y134 VanDerWaalsContact O-N 3.14Å; L131-I135 HydrophobicContact CB-CD1 4.39Å; L131-I135 HydrophobicContact CD2-CD1 3.95Å; L131-I135 WeakPolarHBondContact O-CB 3.38Å; L131-I135 PolarHBondContact O-N 3.43Å
132Q88.8Confident78.6Confident80 Ų8072 Ų7237%0.37437%0.366SS..THydrogen-bonded Turntrans-63.7-15.7179.4-77.8173.1-5.400113.9Y94 S128 I130 Y134Y94-Q132 HydrophobicContact CD2-CG 4.41Å; Y94-Q132 HydrophobicContact CE1-CG 3.86Å; Y94-Q132 HydrophobicContact CE2-CG 3.72Å; Y94-Q132 VanDerWaalsContact CZ-CG 3.42Å; Y94-Q132 WeakPolarHBondContact OH-CA 3.39Å; Y94-Q132 WeakPolarHBondContact OH-CG 3.46Å; Y94-Q132 PolarHBondContact OH-N 3.33Å; S128-Q132 WeakPolarHBondContact O-CB 3.48Å; S128-Q132 VanDerWaalsContact O-CG 3.25Å; S128-Q132 WeakPolarHBondContact O-CG 3.37Å; S128-Q132 PolarHBondContact O-N 3.49Å; I130-Q132 PolarHBondContact O-N 2.81Å; Q132-Y134 VanDerWaalsContact C-N 3.34Å
133E85.5Confident76.2Confident86 Ų8674.3 Ų74.340%0.40239%0.386SS..THydrogen-bonded Turntrans-75-23.9176.5-62.9-175.5-174.600112.8I130 L131 P150 S161I130-E133 WeakPolarHBondContact O-CB 3.45Å; I130-E133 PolarHBondContact O-N 2.91Å; I130-E133 VanDerWaalsContact O-N 3.1Å; L131-E133 PolarHBondContact O-N 2.79Å; L131-E133 VanDerWaalsContact O-N 3.11Å; E133-P150 HydrophobicContact CB-CG 3.75Å; E133-P150 HydrophobicContact CG-CG 4.47Å; E133-P150 VanDerWaalsContact OE2-CB 3.29Å; E133-P150 WeakPolarHBondContact OE2-CB 3.13Å; E133-P150 WeakPolarHBondContact OE2-CG 3.49Å; E133-S161 VanDerWaalsContact CD-OG 3.31Å; E133-S161 WeakPolarHBondContact OE1-CB 3.35Å; E133-S161 PolarHBondContact OE1-OG 3.4Å; E133-S161 PolarHBondContact OE2-OG 2.99Å
134Y84.4Confident73.9Confident26 Ų2678 Ų7810%0.10241%0.408CS..THydrogen-bonded Turntrans-134.3-14.7-175.269.5-86.6000115.1E116 I130 L131 Q132 P150 V153E116-Y134 HydrophobicContact CG-CE2 4.17Å; E116-Y134 PolarHBondContact OE2-OH 2.92Å; I130-Y134 WeakPolarHBondContact O-CD1 3.34Å; L131-Y134 HydrophobicContact CD2-CE1 4.17Å; L131-Y134 VanDerWaalsContact CD2-OH 3.3Å; L131-Y134 WeakPolarHBondContact CD2-OH 3.27Å; L131-Y134 PolarHBondContact O-N 2.81Å; L131-Y134 VanDerWaalsContact O-N 3.14Å; Q132-Y134 VanDerWaalsContact C-N 3.34Å; Y134-P150 HydrophobicContact CD1-CG 3.99Å; Y134-V153 HydrophobicContact CE1-CG2 4.07Å
135I86.4Confident71.9Confident7 Ų776.1 Ų76.14%0.03642%0.418CS..SBendtrans-110.294.1169.4-52.9174000107.1Y94 I109 E112 L113 E116 L131Y94-I135 WeakPolarHBondContact CE1-O 3.3Å; Y94-I135 PolarHBondContact OH-O 2.9Å; I109-I135 HydrophobicContact CD1-CG2 4.29Å; I109-I135 HydrophobicContact CG1-CG2 3.87Å; E112-I135 HydrophobicContact CB-CG2 4.16Å; L113-I135 HydrophobicContact CD2-CD1 3.98Å; L113-I135 HydrophobicContact CD2-CG2 4.07Å; L113-I135 HydrophobicContact CG-CG2 4.2Å; E116-I135 HydrophobicContact CB-CD1 3.7Å; E116-I135 HydrophobicContact CG-CD1 3.66Å; L131-I135 HydrophobicContact CB-CD1 4.39Å; L131-I135 HydrophobicContact CD2-CD1 3.95Å; L131-I135 WeakPolarHBondContact O-CB 3.38Å; L131-I135 PolarHBondContact O-N 3.43Å
136T81.5Confident70.4Confident49 Ų4979.4 Ų79.430%0.30145%0.448SS..  trans-108.6146.2-17257.60000112.1E138 H140T136-E138 PolarHBondContact OG1-O 2.89Å; T136-H140 PolarHBondContact OG1-CD2 3.03Å
137Q71.9Confident69.2Low111 Ų11180.7 Ų80.752%0.51946%0.457SS..SBendtrans-77.2-23.5173.8-70.3173.9-7.200112.5Y94 I109Y94-Q137 HydrophobicContact CD1-CG 4.45Å; Y94-Q137 PolarHBondContact O-NE2 2.82Å; I109-Q137 HydrophobicContact CD1-CB 4.37Å; I109-Q137 HydrophobicContact CD1-CG 3.39Å
138E64.9Low68.4Low165 Ų16590.5 Ų90.577%0.77149%0.492SS*.SBendtrans-84.1118.1179-67.4-171.4171.400110.1T136 H140T136-E138 PolarHBondContact OG1-O 2.89Å; E138-H140 PolarHBondContact O-N 2.89Å
139G47.6Very low67.8Low81 Ų8194.4 Ų94.484%0.83552%0.517SS*.  trans-60.5108.4176.200000111.1K141G139-K141 PolarHBondContact O-N 2.86Å
140H46.1Very low67.4Low124 Ų12492 Ų9257%0.57451%0.509SS*.  trans-63.9124.8169-76.4-84.4000109.1T136 E138 L142T136-H140 PolarHBondContact OG1-CD2 3.03Å; E138-H140 PolarHBondContact O-N 2.89Å; H140-L142 PolarHBondContact O-N 3.1Å
141K41.1Very low67.1Low187 Ų18794.8 Ų94.881%0.81353%0.533SS*.  trans-54131.1159.2-81.9-179.1176177.70107.6G139 D143G139-K141 PolarHBondContact O-N 2.86Å; K141-D143 PolarHBondContact O-N 2.69Å
142L44.3Very low66.7Low179 Ų17995.2 Ų95.294%0.93754%0.535SS*.THydrogen-bonded Turntrans-55.729.1-176.9-86.7152.4000116.8H140H140-L142 PolarHBondContact O-N 3.1Å
143D43.2Very low66.1Low152 Ų15293.4 Ų93.481%0.81353%0.53SS*.THydrogen-bonded Turntrans-96.7-8.1-176.4-90.5-26.1000115.1K141K141-D143 PolarHBondContact O-N 2.69Å
144T44.5Very low65.8Low115 Ų11595.1 Ų95.171%0.70655%0.546SS*.SBendtrans-140.8128.9164.647.80000108.2
145G51.3Low65.7Low72 Ų7297.4 Ų97.474%0.74256%0.56SS**  trans-49.9163.1-177.500000113.7
146A58Low65.5Low94 Ų94101.9 Ų101.978%0.77760%0.598SS**SBendtrans-41.4131.7-176.600000111.5R148A146-R148 PolarHBondContact O-N 3.24Å
147P67.7Low65.9Low59 Ų59101.1 Ų101.138%0.38359%0.594SS.*PPolyproline II helixtrans-53.4130.1-177.720.7-31000109.4
148R74.5Confident66.7Low231 Ų23197.5 Ų97.587%0.87258%0.58SS**PPolyproline II helixtrans-63.7140.1177.1-69.3-177.2-178.6-178.90.3108.6A146A146-R148 PolarHBondContact O-N 3.24Å
149P77.3Confident68Low88 Ų8891.3 Ų91.357%0.57155%0.55SS**PPolyproline II helixtrans-51.7132.9175.1-28.235000111.1
150P79.4Confident70.2Confident21 Ų2187.7 Ų87.714%0.13651%0.511CS..PPolyproline II helixtrans-57.7144.2177.1-23.531.8000111.3E133 Y134 T152 V153E133-P150 HydrophobicContact CB-CG 3.75Å; E133-P150 HydrophobicContact CG-CG 4.47Å; E133-P150 VanDerWaalsContact OE2-CB 3.29Å; E133-P150 WeakPolarHBondContact OE2-CB 3.13Å; E133-P150 WeakPolarHBondContact OE2-CG 3.49Å; Y134-P150 HydrophobicContact CD1-CG 3.99Å; P150-T152 PolarHBondContact O-N 3.22Å; P150-V153 WeakPolarHBondContact O-CB 3.39Å; P150-V153 PolarHBondContact O-N 2.9Å
151A81.6Confident72.2Confident64 Ų6482.2 Ų82.253%0.52949%0.487SS..G310 helixtrans-58.2-23.1173.200000112.2V153 T154 N155A151-V153 PolarHBondContact O-N 3.06Å; A151-T154 PolarHBondContact O-N 2.9Å; A151-T154 VanDerWaalsContact O-N 3.12Å; A151-T154 PolarHBondContact O-OG1 2.9Å; A151-N155 WeakPolarHBondContact O-CB 3.38Å; A151-N155 PolarHBondContact O-N 2.86Å; A151-N155 PolarHBondContact O-ND2 3.25Å
152T80.3Confident74.5Confident8 Ų880.3 Ų80.35%0.04948%0.481CS..G310 helixtrans-54.5-34.5173-43.50000112.3I130 P150 T154 N155 V157 S158 S161I130-T152 HydrophobicContact CD1-CG2 3.73Å; I130-T152 HydrophobicContact CG1-CG2 4.19Å; I130-T152 HydrophobicContact CG2-CG2 4.43Å; P150-T152 PolarHBondContact O-N 3.22Å; T152-T154 VanDerWaalsContact C-N 3.27Å; T152-T154 PolarHBondContact O-N 2.96Å; T152-N155 PolarHBondContact O-N 3.19Å; T152-V157 WeakPolarHBondContact CG2-O 3.2Å; T152-S158 WeakPolarHBondContact O-CA 3.27Å; T152-S161 WeakPolarHBondContact OG1-CA 3.48Å; T152-S161 PolarHBondContact OG1-OG 3.47Å
153V76.3Confident76.5Confident43 Ų4374.6 Ų74.626%0.26147%0.465SS..G310 helixtrans-63.1-33.6179.7177.90000112T125 I130 Y134 P150 A151T125-V153 HydrophobicContact CG2-CG2 4.48Å; T125-V153 WeakPolarHBondContact OG1-CG1 3.44Å; I130-V153 HydrophobicContact CG2-CG2 3.82Å; Y134-V153 HydrophobicContact CE1-CG2 4.07Å; P150-V153 WeakPolarHBondContact O-CB 3.39Å; P150-V153 PolarHBondContact O-N 2.9Å; A151-V153 PolarHBondContact O-N 3.06Å
154T80.3Confident78.9Confident121 Ų12169 Ų6974%0.74244%0.435SS*.THydrogen-bonded Turntrans-102.7-7.6-17857.70000113.6A151 T152A151-T154 PolarHBondContact O-N 2.9Å; A151-T154 VanDerWaalsContact O-N 3.12Å; A151-T154 PolarHBondContact O-OG1 2.9Å; T152-T154 VanDerWaalsContact C-N 3.27Å; T152-T154 PolarHBondContact O-N 2.96Å
155N82Confident81.2Confident75 Ų7572.2 Ų72.240%0.40144%0.439SS..SBendtrans-78.5154.7-179.9-83.3-20.3000112.3A151 T152 V157A151-N155 WeakPolarHBondContact O-CB 3.38Å; A151-N155 PolarHBondContact O-N 2.86Å; A151-N155 PolarHBondContact O-ND2 3.25Å; T152-N155 PolarHBondContact O-N 3.19Å; N155-V157 PolarHBondContact O-N 2.84Å
156A81.3Confident83.3Confident100 Ų10072.4 Ų72.483%0.82642%0.418SS*.SBendtrans-63.2-20.4172.300000113.3
157V89.6Confident84.9Confident34 Ų3480.3 Ų80.321%0.20643%0.428CS..  trans-104.693.2170-179.60000107T152 N155 W159 R160 M207 I256T152-V157 WeakPolarHBondContact CG2-O 3.2Å; N155-V157 PolarHBondContact O-N 2.84Å; V157-W159 HydrophobicContact CG1-CD2 4.34Å; V157-W159 HydrophobicContact CG1-CZ2 4.02Å; V157-W159 HydrophobicContact CG2-CZ2 4.46Å; V157-R160 HydrophobicContact CG1-CB 4.28Å; V157-M207 HydrophobicContact CB-CE 4.41Å; V157-M207 HydrophobicContact CG1-CE 3.84Å; V157-I256 HydrophobicContact CG1-CG2 4.39Å; V157-I256 HydrophobicContact CG2-CD1 4.12Å
158S89.8Confident86.1Confident35 Ų3584.7 Ų84.725%0.24544%0.441CS..  trans-92.20.8-172.663.60000114.6I130 T152I130-S158 WeakPolarHBondContact CG1-O 3.31Å; T152-S158 WeakPolarHBondContact O-CA 3.27Å
159W91.4Very high87.1Confident35 Ų3574.8 Ų74.813%0.13341%0.405CS..SBendtrans-119.43.6-170.556.276000113.9V157 Q240 C241 I256 P258V157-W159 HydrophobicContact CG1-CD2 4.34Å; V157-W159 HydrophobicContact CG1-CZ2 4.02Å; V157-W159 HydrophobicContact CG2-CZ2 4.46Å; W159-Q240 HydrophobicContact CD2-CG 4.28Å; W159-Q240 HydrophobicContact CE3-CB 4.49Å; W159-Q240 HydrophobicContact CE3-CG 3.69Å; W159-Q240 HydrophobicContact CZ3-CB 4.4Å; W159-Q240 HydrophobicContact CZ3-CG 4.09Å; W159-C241 HydrophobicContact CD2-CB 4.1Å; W159-C241 VanDerWaalsContact CE2-CB 3.44Å; W159-C241 HydrophobicContact CG-CB 4.44Å; W159-C241 HydrophobicContact CZ2-CB 3.72Å; W159-I256 PolarHBondContact NE1-O 3.01Å; W159-P258 HydrophobicContact CB-CG 4.11Å; W159-P258 HydrophobicContact CG-CG 4.07Å; W159-P258 WeakPolarHBondContact O-CA 3.41Å
160R93.2Very high88Confident4 Ų472.9 Ų72.92%0.01539%0.389CS..  trans-149120.1179.3-171.8-173.5-175.269.39.7110.9V157 I164 L204 G206 M207 P257 D259V157-R160 HydrophobicContact CG1-CB 4.28Å; R160-I164 HydrophobicContact CG-CD1 4.02Å; R160-L204 PolarHBondContact NH2-O 3.45Å; R160-G206 PolarHBondContact NE-O 3.04Å; R160-G206 PolarHBondContact NH2-O 2.87Å; R160-M207 HydrophobicContact CB-CE 4.24Å; R160-M207 HydrophobicContact CB-SD 4.28Å; R160-M207 WeakPolarHBondContact CD-SD 3.04Å; R160-M207 HydrophobicContact CG-CE 4.31Å; R160-M207 HydrophobicContact CG-SD 3.71Å; R160-P257 WeakPolarHBondContact CD-O 3.4Å; R160-P257 PolarHBondContact NH1-O 3.46Å; R160-D259 IonicContact CZ-OD1 2.81Å; R160-D259 IonicContact NH1-OD1 3.72Å; R160-D259 PolarHBondContact NH1-OD1 3.24Å; R160-D259 VanDerWaalsContact NH1-OD1 3.1Å; R160-D259 IonicContact NH2-OD1 3.81Å
161S88.9Confident88.9Confident10 Ų1071.9 Ų71.97%0.0738%0.382CS..  trans-80.1150.6175.9-61.70000112.7E133 T152 I164E133-S161 VanDerWaalsContact CD-OG 3.31Å; E133-S161 WeakPolarHBondContact OE1-CB 3.35Å; E133-S161 PolarHBondContact OE1-OG 3.4Å; E133-S161 PolarHBondContact OE2-OG 2.99Å; T152-S161 WeakPolarHBondContact OG1-CA 3.48Å; T152-S161 PolarHBondContact OG1-OG 3.47Å; S161-I164 VanDerWaalsContact O-CD1 3.31Å; S161-I164 WeakPolarHBondContact O-CD1 3.29Å; S161-I164 WeakPolarHBondContact O-CG1 3.38Å
162E88.6Confident89.7Confident147 Ų14771.7 Ų71.769%0.68737%0.369SS*.THydrogen-bonded Turntrans-73.3158.8175.1-62.2-170.6171.500111.5I164 M207E162-I164 VanDerWaalsContact C-N 3.34Å; E162-I164 PolarHBondContact O-N 3.18Å; E162-M207 HydrophobicContact CG-CG 4.18Å; E162-M207 HydrophobicContact CG-SD 4.35Å
163G88.1Confident90.5Very high59 Ų5971.4 Ų71.461%0.60837%0.368SS*.THydrogen-bonded Turntrans84-0.8173.100000116.1K165G163-K165 PolarHBondContact O-N 2.61Å
164I92.3Very high91.5Very high35 Ų3570.3 Ų70.318%0.17936%0.36CS..  trans-55.9130.3173.4-60.9173.7000110R160 S161 E162 Y166 L204 S205 G206 D259R160-I164 HydrophobicContact CG-CD1 4.02Å; S161-I164 VanDerWaalsContact O-CD1 3.31Å; S161-I164 WeakPolarHBondContact O-CD1 3.29Å; S161-I164 WeakPolarHBondContact O-CG1 3.38Å; E162-I164 VanDerWaalsContact C-N 3.34Å; E162-I164 PolarHBondContact O-N 3.18Å; I164-Y166 HydrophobicContact CG2-CD2 3.9Å; I164-Y166 HydrophobicContact CG2-CE2 3.44Å; I164-Y166 VanDerWaalsContact CG2-CE2 3.44Å; I164-L204 WeakPolarHBondContact CG2-O 3.4Å; I164-S205 CarbonylContact O-C 3.48Å; I164-S205 VanDerWaalsContact O-CA 3.25Å; I164-S205 WeakPolarHBondContact O-CA 3.33Å; I164-G206 PolarHBondContact O-N 2.89Å; I164-D259 HydrophobicContact CD1-CB 3.75Å
165K93.9Very high92.3Very high182 Ų18264.5 Ų64.579%0.79133%0.325SS*.  trans-137.2129.7-178.7-76.6176.4-176.4174.70110.9G163G163-K165 PolarHBondContact O-N 2.61Å
166Y94Very high93.1Very high76 Ų7662.1 Ų62.130%0.29831%0.312SS..  trans-118.4143.8173.4-73.3-84.1000110.4I164 K168 F203 L204 S205 D259I164-Y166 HydrophobicContact CG2-CD2 3.9Å; I164-Y166 HydrophobicContact CG2-CE2 3.44Å; I164-Y166 VanDerWaalsContact CG2-CE2 3.44Å; Y166-K168 VanDerWaalsContact C-N 3.27Å; Y166-K168 WeakPolarHBondContact CB-O 3.23Å; Y166-F203 HydrophobicContact CD1-CB 4.01Å; Y166-F203 HydrophobicContact CD1-CD1 4.44Å; Y166-F203 HydrophobicContact CD2-CB 4.4Å; Y166-F203 HydrophobicContact CE1-CB 3.99Å; Y166-F203 AromaticContact CE1-CD1 3.68Å; Y166-F203 HydrophobicContact CE1-CD1 3.68Å; Y166-F203 HydrophobicContact CE1-CG 4.31Å; Y166-F203 HydrophobicContact CE2-CB 4.36Å; Y166-F203 HydrophobicContact CG-CB 4.21Å; Y166-F203 AromaticContact CZ-CD1 3.85Å; Y166-L204 WeakPolarHBondContact CD2-O 3.45Å; Y166-S205 PolarHBondContact N-OG 2.58Å; Y166-S205 PolarHBondContact O-OG 3.01Å; Y166-D259 WeakPolarHBondContact CE2-OD1 3.48Å; Y166-D259 PolarHBondContact OH-OD2 3.27Å
167R92.5Very high93.8Very high260 Ų26057.3 Ų57.398%0.98127%0.272SS*.SBendtrans-66.5-33.4172.1-68.7-176.8179.8-180-0.3111.8
168K93.8Very high94.1Very high150 Ų15056.9 Ų56.965%0.65227%0.271SS*.SBendtrans-128126.7176.5-69-174.2176.3-176.10108.6Y166 E170Y166-K168 VanDerWaalsContact C-N 3.27Å; Y166-K168 WeakPolarHBondContact CB-O 3.23Å; K168-E170 HydrophobicContact CB-CG 4.43Å
169N95.6Very high94.4Very high24 Ų2455.4 Ų55.413%0.12826%0.26CS..  trans-93.7108.9179.3-63-69.9000109.3F203 L204 S205 Y403 A405 L406N169-F203 CarbonylContact C-O 3.59Å; N169-F203 VanDerWaalsContact CA-O 3.25Å; N169-F203 WeakPolarHBondContact CA-O 3.37Å; N169-L204 HydrophobicContact CB-CD2 3.82Å; N169-S205 WeakPolarHBondContact OD1-CB 3.47Å; N169-S205 PolarHBondContact OD1-N 2.84Å; N169-S205 PolarHBondContact OD1-OG 2.98Å; N169-Y403 HydrophobicContact CB-CD2 3.76Å; N169-Y403 HydrophobicContact CB-CE2 3.69Å; N169-A405 HydrophobicContact CB-CB 3.86Å; N169-A405 VanDerWaalsContact O-CA 3.28Å; N169-A405 WeakPolarHBondContact O-CA 3.45Å; N169-L406 PolarHBondContact O-N 2.81Å; N169-L406 VanDerWaalsContact O-N 3.1Å
170E96Very high94.6Very high48 Ų4854.7 Ų54.722%0.22426%0.259CS..EExtended strand (participates in β ladder)trans-135.7144.8-173.7-63.8-178159.700110.3K168 F172 F203K168-E170 HydrophobicContact CB-CG 4.43Å; E170-F172 HydrophobicContact CB-CE2 3.88Å; E170-F172 HydrophobicContact CB-CZ 4.15Å; E170-F203 PolarHBondContact N-O 3.22Å; E170-F203 CarbonylContact O-C 3.55Å; E170-F203 WeakPolarHBondContact O-CA 3.25Å; E170-F203 PolarHBondContact O-N 2.76Å
171V97.4Very high94.7Very high0 Ų054.7 Ų54.70%026%0.259CS..EExtended strand (participates in β ladder)trans-130.8126.7175.7-175.40000108.6L173 M200 V202 L204 L395 I397 L406 P407 W408V171-L173 HydrophobicContact CG1-CD1 3.78Å; V171-M200 HydrophobicContact CG1-CE 3.41Å; V171-M200 VanDerWaalsContact CG1-CE 3.41Å; V171-V202 HydrophobicContact CG1-CG2 4.16Å; V171-L204 HydrophobicContact CG2-CD1 3.68Å; V171-L204 HydrophobicContact CG2-CD2 3.75Å; V171-L204 HydrophobicContact CG2-CG 3.75Å; V171-L395 HydrophobicContact CB-CD2 4.13Å; V171-L395 HydrophobicContact CG1-CD2 3.81Å; V171-L395 HydrophobicContact CG2-CD2 4.41Å; V171-I397 HydrophobicContact CG2-CD1 3.98Å; V171-L406 PolarHBondContact N-O 3.41Å; V171-P407 CarbonylContact O-C 3.56Å; V171-P407 WeakPolarHBondContact O-CA 3.39Å; V171-W408 PolarHBondContact O-N 2.86Å
172F97.7Very high94.9Very high59 Ų5956 Ų5626%0.25927%0.265SS..EExtended strand (participates in β ladder)trans-110.7132.8174.8-54-91.6000109.7E170 M200 R201 F203 W408E170-F172 HydrophobicContact CB-CE2 3.88Å; E170-F172 HydrophobicContact CB-CZ 4.15Å; F172-M200 CarbonylContact O-C 3.55Å; F172-M200 VanDerWaalsContact O-CA 3.3Å; F172-M200 WeakPolarHBondContact O-CA 3.46Å; F172-R201 HydrophobicContact CB-CB 4.2Å; F172-R201 HydrophobicContact CD2-CB 4.34Å; F172-R201 PolarHBondContact N-O 3.12Å; F172-R201 PolarHBondContact O-N 3.43Å; F172-F203 HydrophobicContact CD2-CD2 4.02Å; F172-F203 AromaticContact CD2-CE2 3.9Å; F172-F203 HydrophobicContact CD2-CE2 3.9Å; F172-F203 AromaticContact CE2-CD2 3.83Å; F172-F203 HydrophobicContact CE2-CD2 3.83Å; F172-F203 AromaticContact CE2-CE2 3.89Å; F172-F203 HydrophobicContact CE2-CE2 3.89Å; F172-W408 CarbonylContact C-O 3.51Å; F172-W408 HydrophobicContact CD1-CB 3.64Å; F172-W408 AromaticContact CD1-CD1 3.78Å; F172-W408 AromaticContact CD1-CG 3.86Å; F172-W408 HydrophobicContact CD1-CG 3.86Å; F172-W408 HydrophobicContact CE1-CB 4.1Å; F172-W408 AromaticContact CE1-CD1 3.43Å; F172-W408 VanDerWaalsContact CE1-CD1 3.43Å; F172-W408 AromaticContact CE1-CG 3.79Å; F172-W408 HydrophobicContact CE1-CG 3.79Å; F172-W408 HydrophobicContact CG-CB 4.45Å; F172-W408 AromaticContact CZ-CD1 4Å
173L97.6Very high95.2Very high3 Ų349.1 Ų49.12%0.01623%0.233CC..EExtended strand (participates in β ladder)trans-117.6121.4177.3-68.588.1000109.3V171 I198 M200 L212 V392 L395 W408 V409 R410V171-L173 HydrophobicContact CG1-CD1 3.78Å; L173-I198 HydrophobicContact CD2-CG2 4.43Å; L173-M200 HydrophobicContact CD1-CE 4.22Å; L173-M200 HydrophobicContact CD2-CE 4.23Å; L173-M200 HydrophobicContact CG-CE 4.03Å; L173-M200 HydrophobicContact CG-CG 4.31Å; L173-L212 HydrophobicContact CD2-CD1 3.97Å; L173-V392 HydrophobicContact CD2-CG1 4.47Å; L173-L395 HydrophobicContact CD1-CD2 4Å; L173-W408 WeakPolarHBondContact CD1-O 3.46Å; L173-W408 PolarHBondContact N-O 2.74Å; L173-V409 HydrophobicContact CB-CB 4.21Å; L173-V409 HydrophobicContact CB-CG2 4.07Å; L173-V409 CarbonylContact O-C 3.58Å; L173-V409 VanDerWaalsContact O-CA 3.29Å; L173-V409 WeakPolarHBondContact O-CA 3.27Å; L173-R410 PolarHBondContact O-N 2.78Å
174D97.6Very high95.4Very high19 Ų1947.2 Ų47.210%0.10221%0.21CC..EExtended strand (participates in β ladder)trans-106.6106.2173.2-71.4-7.4000108I176 I198 K199 R410D174-I176 HydrophobicContact CB-CD1 4.27Å; D174-I176 HydrophobicContact CB-CG1 4.19Å; D174-I198 WeakPolarHBondContact O-CA 3.3Å; D174-K199 HydrophobicContact CB-CB 4.3Å; D174-K199 PolarHBondContact N-O 2.87Å; D174-K199 PolarHBondContact O-N 3.01Å; D174-R410 WeakPolarHBondContact OD1-CD 3.48Å; D174-R410 WeakPolarHBondContact OD1-CG 3.49Å; D174-R410 IonicContact OD1-CZ 2.77Å; D174-R410 IonicContact OD1-NE 3.39Å; D174-R410 PolarHBondContact OD1-NE 3.35Å; D174-R410 IonicContact OD1-NH2 2.9Å; D174-R410 IonicContact OD2-CZ 2.66Å; D174-R410 IonicContact OD2-NE 3.49Å; D174-R410 PolarHBondContact OD2-NE 2.76Å; D174-R410 IonicContact OD2-NH2 3.42Å; D174-R410 PolarHBondContact OD2-NH2 2.89Å
175V97.8Very high95.3Very high0 Ų047.2 Ų47.20%022%0.216CC..EExtended strand (participates in β ladder)trans-92101.5173.7179.10000106.9I198 I390 V392 V409 R410 Y411 I412V175-I198 HydrophobicContact CG2-CD1 4.48Å; V175-I198 HydrophobicContact CG2-CG1 4.31Å; V175-I390 HydrophobicContact CG1-CG2 3.83Å; V175-V392 HydrophobicContact CG2-CG2 3.88Å; V175-V409 HydrophobicContact CG2-CG2 4.07Å; V175-R410 PolarHBondContact N-O 3.38Å; V175-Y411 HydrophobicContact CB-CD1 3.57Å; V175-Y411 HydrophobicContact CB-CE1 3.91Å; V175-Y411 HydrophobicContact CB-CG 4.47Å; V175-Y411 HydrophobicContact CG1-CD1 3.76Å; V175-Y411 HydrophobicContact CG1-CE1 4.08Å; V175-Y411 HydrophobicContact CG2-CD1 4.02Å; V175-Y411 HydrophobicContact CG2-CE1 3.83Å; V175-Y411 CarbonylContact O-C 3.52Å; V175-Y411 WeakPolarHBondContact O-CA 3.31Å; V175-I412 PolarHBondContact O-N 3.18Å
176I97.9Very high95Very high24 Ų2444.9 Ų44.912%0.12321%0.212CC..EExtended strand (participates in β ladder)trans-107.3121.6-175-53.9173.7000108.4D174 G196 S197 K199 I412 Q414D174-I176 HydrophobicContact CB-CD1 4.27Å; D174-I176 HydrophobicContact CB-CG1 4.19Å; I176-G196 CarbonylContact O-C 3.51Å; I176-G196 VanDerWaalsContact O-CA 3.25Å; I176-G196 WeakPolarHBondContact O-CA 3.36Å; I176-S197 PolarHBondContact N-O 3.33Å; I176-S197 PolarHBondContact O-N 3.39Å; I176-K199 HydrophobicContact CD1-CD 4.12Å; I176-I412 CarbonylContact C-O 3.6Å; I176-I412 VanDerWaalsContact CA-O 3.31Å; I176-I412 WeakPolarHBondContact CA-O 3.39Å; I176-Q414 HydrophobicContact CG2-CG 4.14Å
177E96.6Very high94.6Very high0 Ų042.8 Ų42.80%021%0.213CC..EExtended strand (participates in β ladder)trans-107122.3173.7-75.5-175.8-171.400110.2I194 Y267 T387 S388 I390 I412 T413 Q414E177-I194 HydrophobicContact CB-CG2 3.89Å; E177-I194 HydrophobicContact CG-CG2 3.83Å; E177-Y267 VanDerWaalsContact CG-OH 3.27Å; E177-Y267 WeakPolarHBondContact CG-OH 3.39Å; E177-Y267 PolarHBondContact OE1-OH 3.05Å; E177-T387 WeakPolarHBondContact OE2-CA 3.22Å; E177-T387 WeakPolarHBondContact OE2-CB 3.31Å; E177-T387 PolarHBondContact OE2-N 3.12Å; E177-S388 WeakPolarHBondContact OE1-CB 3.48Å; E177-S388 PolarHBondContact OE1-N 3.33Å; E177-S388 PolarHBondContact OE1-OG 3.05Å; E177-S388 PolarHBondContact OE2-N 2.85Å; E177-I390 VanDerWaalsContact OE1-CG2 3.31Å; E177-I390 WeakPolarHBondContact OE1-CG2 3.44Å; E177-I412 PolarHBondContact N-O 3.37Å; E177-T413 HydrophobicContact CB-CG2 4.42Å; E177-T413 CarbonylContact O-C 3.54Å; E177-T413 WeakPolarHBondContact O-CA 3.2Å; E177-Q414 PolarHBondContact O-N 3.3Å
178S96.5Very high94.6Very high25 Ų2535.4 Ų35.418%0.17519%0.194CC..EExtended strand (participates in β ladder)trans-99.9119170.6-54.40000108.7V195 Q414S178-V195 PolarHBondContact N-O 2.91Å; S178-V195 PolarHBondContact O-N 2.82Å; S178-Q414 WeakPolarHBondContact CA-O 3.37Å; S178-Q414 PolarHBondContact OG-NE2 2.99Å
179V95.6Very high94.5Very high4 Ų431.5 Ų31.52%0.02418%0.182CC..EExtended strand (participates in β ladder)trans-91.1114.2-179.6-176.50000109.1L276 F380 T413 Q414 G416 Y418V179-L276 HydrophobicContact CG2-CD1 3.95Å; V179-F380 HydrophobicContact CB-CZ 4.41Å; V179-T413 HydrophobicContact CG2-CG2 3.72Å; V179-Q414 PolarHBondContact N-O 3.39Å; V179-G416 PolarHBondContact O-N 3.46Å; V179-Y418 HydrophobicContact CG1-CD2 4.34Å; V179-Y418 HydrophobicContact CG1-CE2 4.22Å
180N95.2Very high94.3Very high20 Ų2035 Ų3511%0.10720%0.2CC..EExtended strand (participates in β ladder)trans-90.7132.3170.6-65-18.1000108.5S192 E193 G416 D417N180-S192 WeakPolarHBondContact O-CA 3.42Å; N180-E193 HydrophobicContact CB-CG 3.59Å; N180-E193 PolarHBondContact N-O 2.79Å; N180-E193 PolarHBondContact ND2-OE1 2.89Å; N180-E193 PolarHBondContact O-N 3.29Å; N180-E193 VanDerWaalsContact O-N 3.13Å; N180-G416 VanDerWaalsContact OD1-CA 3.25Å; N180-G416 WeakPolarHBondContact OD1-CA 3.25Å; N180-D417 CarbonylContact C-O 3.57Å; N180-D417 WeakPolarHBondContact CA-O 3.42Å; N180-D417 PolarHBondContact OD1-N 3.19Å
181L94.6Very high94.1Very high3 Ų339.4 Ų39.42%0.01622%0.215CC..EExtended strand (participates in β ladder)trans-142.4130.5179.7-176.673.1000109.6V183 V189 R191 P275 D417 Y418 Q419L181-V183 HydrophobicContact CD1-CG2 4.24Å; L181-V183 HydrophobicContact CD2-CG2 3.71Å; L181-V183 HydrophobicContact CG-CG2 3.81Å; L181-V189 HydrophobicContact CD1-CG1 3.71Å; L181-V189 HydrophobicContact CD1-CG2 4.33Å; L181-R191 CarbonylContact C-O 3.58Å; L181-R191 WeakPolarHBondContact CA-O 3.23Å; L181-P275 HydrophobicContact CD1-CB 4.43Å; L181-P275 HydrophobicContact CD1-CG 3.84Å; L181-P275 HydrophobicContact CD2-CB 3.64Å; L181-P275 HydrophobicContact CD2-CG 3.77Å; L181-P275 HydrophobicContact CG-CG 4.48Å; L181-D417 PolarHBondContact N-O 3.27Å; L181-Y418 HydrophobicContact CB-CD2 3.63Å; L181-Y418 HydrophobicContact CB-CE2 3.73Å; L181-Y418 HydrophobicContact CB-CG 4.1Å; L181-Y418 HydrophobicContact CD2-CD1 4.29Å; L181-Y418 HydrophobicContact CD2-CD2 4.23Å; L181-Y418 HydrophobicContact CD2-CE1 3.71Å; L181-Y418 HydrophobicContact CD2-CE2 3.63Å; L181-Y418 HydrophobicContact CG-CE2 4.32Å; L181-Q419 PolarHBondContact O-N 3.45Å; L181-Q419 VanDerWaalsContact O-O 3.08Å
182L94.6Very high93.9Very high38 Ų3840.2 Ų40.220%0.19922%0.22CC..EExtended strand (participates in β ladder)trans-123.4116.5167.8-177.362.8000109.5L190 R191 Q419 R421L182-L190 HydrophobicContact CB-CB 4.5Å; L182-L190 HydrophobicContact CD2-CB 4.28Å; L182-L190 HydrophobicContact CD2-CD1 4.18Å; L182-L190 HydrophobicContact CG-CB 4.27Å; L182-L190 HydrophobicContact CG-CD1 4.26Å; L182-L190 PolarHBondContact O-N 2.84Å; L182-R191 HydrophobicContact CB-CB 4.06Å; L182-R191 PolarHBondContact N-O 2.82Å; L182-R191 PolarHBondContact O-N 3.44Å; L182-Q419 WeakPolarHBondContact CA-O 3.36Å; L182-Q419 HydrophobicContact CD1-CB 4.27Å; L182-R421 HydrophobicContact CD1-CG 4.28Å
183V94.1Very high93.7Very high3 Ų337.9 Ų37.92%0.01821%0.21CC..EExtended strand (participates in β ladder)trans-107.1134.5175.2-1710000109.4L181 V189 W278 Q419 L420 R421L181-V183 HydrophobicContact CD1-CG2 4.24Å; L181-V183 HydrophobicContact CD2-CG2 3.71Å; L181-V183 HydrophobicContact CG-CG2 3.81Å; V183-V189 HydrophobicContact CG2-CG2 4.48Å; V183-W278 HydrophobicContact CG1-CH2 3.57Å; V183-W278 HydrophobicContact CG1-CZ3 3.91Å; V183-W278 HydrophobicContact CG2-CH2 4.34Å; V183-W278 HydrophobicContact CG2-CZ3 3.8Å; V183-Q419 PolarHBondContact N-O 3.35Å; V183-L420 HydrophobicContact CB-CB 4.19Å; V183-L420 HydrophobicContact CB-CD2 4.11Å; V183-L420 HydrophobicContact CB-CG 4.04Å; V183-L420 HydrophobicContact CG2-CD2 3.82Å; V183-L420 HydrophobicContact CG2-CG 3.87Å; V183-R421 WeakPolarHBondContact O-CB 3.39Å; V183-R421 WeakPolarHBondContact O-CG 3.36Å; V183-R421 PolarHBondContact O-N 3.24Å
184S93.4Very high93.6Very high18 Ų1837.7 Ų37.713%0.12621%0.21CC..  trans-70.5162.4172.262.90000112N186 G187 N188S184-N186 PolarHBondContact O-N 2.83Å; S184-N186 VanDerWaalsContact O-N 3.08Å; S184-G187 PolarHBondContact O-N 3.17Å; S184-N188 PolarHBondContact N-O 3.45Å; S184-N188 WeakPolarHBondContact OG-CB 3.5Å; S184-N188 PolarHBondContact OG-N 2.89Å; S184-N188 PolarHBondContact OG-O 3.38Å
185A88.9Confident93.6Very high36 Ų3639.3 Ų39.330%0.29822%0.22SC..THydrogen-bonded Turntrans-60.8-19175.300000113.9G187 R421 T422 Q423A185-G187 VanDerWaalsContact C-N 3.33Å; A185-R421 WeakPolarHBondContact CA-O 3.4Å; A185-T422 WeakPolarHBondContact CB-O 3.26Å; A185-Q423 HydrophobicContact CB-CG 3.94Å; A185-Q423 WeakPolarHBondContact O-CG 3.29Å; A185-Q423 PolarHBondContact O-NE2 2.71Å
186N88.1Confident93.5Very high133 Ų13339.3 Ų39.371%0.71122%0.22SC*.THydrogen-bonded Turntrans-85.8-3.1175.3-63.8-14.2000113S184S184-N186 PolarHBondContact O-N 2.83Å; S184-N186 VanDerWaalsContact O-N 3.08Å
187G86.1Confident93.5Very high31 Ų3139 Ų3932%0.3222%0.22SC..SBendtrans84.78.1-177.100000114.9S184 A185 W278S184-G187 PolarHBondContact O-N 3.17Å; A185-G187 VanDerWaalsContact C-N 3.33Å; G187-W278 VanDerWaalsContact O-CH2 3.27Å; G187-W278 WeakPolarHBondContact O-CH2 3.36Å
188N91.1Very high93.6Very high106 Ų10639 Ų3957%0.56722%0.22SC*.  trans-83.6134.3173-63.7-27.9000110.7S184 L190S184-N188 PolarHBondContact N-O 3.45Å; S184-N188 WeakPolarHBondContact OG-CB 3.5Å; S184-N188 PolarHBondContact OG-N 2.89Å; S184-N188 PolarHBondContact OG-O 3.38Å; N188-L190 PolarHBondContact O-N 2.95Å
189V91.8Very high93.6Very high68 Ų6841.7 Ų41.741%0.41223%0.228SC..EExtended strand (participates in β ladder)trans-72.3115.9172.5-179.70000108.9L181 V183 P275 W278L181-V189 HydrophobicContact CD1-CG1 3.71Å; L181-V189 HydrophobicContact CD1-CG2 4.33Å; V183-V189 HydrophobicContact CG2-CG2 4.48Å; V189-P275 HydrophobicContact CG2-CG 4.06Å; V189-W278 HydrophobicContact CG2-CZ3 4.42Å
190L92.6Very high93.7Very high98 Ų9841.5 Ų41.551%0.51323%0.227SC..EExtended strand (participates in β ladder)trans-89-40.5179.7-61.5-180000112L182 N188L182-L190 HydrophobicContact CB-CB 4.5Å; L182-L190 HydrophobicContact CD2-CB 4.28Å; L182-L190 HydrophobicContact CD2-CD1 4.18Å; L182-L190 HydrophobicContact CG-CB 4.27Å; L182-L190 HydrophobicContact CG-CD1 4.26Å; L182-L190 PolarHBondContact O-N 2.84Å; N188-L190 PolarHBondContact O-N 2.95Å
191R91.9Very high93.8Very high139 Ų13945.7 Ų45.753%0.52524%0.242SC..EExtended strand (participates in β ladder)trans-141.8133178-173.8177.3177.5-175-1.2108.9L181 L182 E193L181-R191 CarbonylContact C-O 3.58Å; L181-R191 WeakPolarHBondContact CA-O 3.23Å; L182-R191 HydrophobicContact CB-CB 4.06Å; L182-R191 PolarHBondContact N-O 2.82Å; L182-R191 PolarHBondContact O-N 3.44Å; R191-E193 IonicContact CZ-OE1 2.66Å; R191-E193 IonicContact CZ-OE2 3.99Å; R191-E193 IonicContact NE-OE1 2.61Å; R191-E193 IonicContact NE-OE2 2.92Å; R191-E193 PolarHBondContact NE-OE2 2.8Å; R191-E193 IonicContact NH2-OE1 3.42Å; R191-E193 PolarHBondContact NH2-OE1 3.41Å; R191-E193 IonicContact NH2-OE2 3.44Å; R191-E193 PolarHBondContact NH2-OE2 3.28Å
192S92.6Very high93.9Very high17 Ų1745.6 Ų45.612%0.11924%0.241CC..EExtended strand (participates in β ladder)trans-144.4113.3168.5-1650000109.7N180 T271N180-S192 WeakPolarHBondContact O-CA 3.42Å; S192-T271 PolarHBondContact O-N 3.42Å; S192-T271 WeakPolarHBondContact OG-CG2 3.48Å
193E93.9Very high94Very high10 Ų1046.3 Ų46.35%0.04724%0.242CC..EExtended strand (participates in β ladder)trans-135.3154.817965.7178.4-168.700109.2N180 R191 R268 L269N180-E193 HydrophobicContact CB-CG 3.59Å; N180-E193 PolarHBondContact N-O 2.79Å; N180-E193 PolarHBondContact ND2-OE1 2.89Å; N180-E193 PolarHBondContact O-N 3.29Å; N180-E193 VanDerWaalsContact O-N 3.13Å; R191-E193 IonicContact CZ-OE1 2.66Å; R191-E193 IonicContact CZ-OE2 3.99Å; R191-E193 IonicContact NE-OE1 2.61Å; R191-E193 IonicContact NE-OE2 2.92Å; R191-E193 PolarHBondContact NE-OE2 2.8Å; R191-E193 IonicContact NH2-OE1 3.42Å; R191-E193 PolarHBondContact NH2-OE1 3.41Å; R191-E193 IonicContact NH2-OE2 3.44Å; R191-E193 PolarHBondContact NH2-OE2 3.28Å; E193-R268 IonicContact OE2-NH1 3.76Å; E193-L269 WeakPolarHBondContact CA-O 3.42Å
194I95.4Very high94.1Very high0 Ų046.1 Ų46.10%024%0.242CC..EExtended strand (participates in β ladder)trans-112.9120.9174.4-59.8167.7000106.3E177 R268 L269 T271 T387E177-I194 HydrophobicContact CB-CG2 3.89Å; E177-I194 HydrophobicContact CG-CG2 3.83Å; I194-R268 WeakPolarHBondContact O-CA 3.48Å; I194-L269 HydrophobicContact CB-CD2 3.98Å; I194-L269 HydrophobicContact CB-CG 4.14Å; I194-L269 HydrophobicContact CD1-CD1 4.41Å; I194-L269 HydrophobicContact CD1-CG 4.49Å; I194-L269 HydrophobicContact CG2-CD2 4.18Å; I194-L269 PolarHBondContact N-O 3.5Å; I194-L269 PolarHBondContact O-N 2.86Å; I194-T271 HydrophobicContact CD1-CG2 4.07Å; I194-T271 HydrophobicContact CG1-CG2 3.97Å; I194-T387 HydrophobicContact CD1-CG2 3.72Å
195V96.8Very high94.2Very high52 Ų5246.1 Ų46.132%0.31524%0.242SC..EExtended strand (participates in β ladder)trans-103.2105.2169.2-178.60000106.7S178 R268S178-V195 PolarHBondContact N-O 2.91Å; S178-V195 PolarHBondContact O-N 2.82Å; V195-R268 HydrophobicContact CG2-CG 4.34Å
196G96.8Very high94.4Very high0 Ų045.4 Ų45.40%024%0.237CC..EExtended strand (participates in β ladder)trans-99150.8177.400000112.4I176 S266 Y267I176-G196 CarbonylContact O-C 3.51Å; I176-G196 VanDerWaalsContact O-CA 3.25Å; I176-G196 WeakPolarHBondContact O-CA 3.36Å; G196-S266 CarbonylContact O-C 3.57Å; G196-S266 VanDerWaalsContact O-CA 3.23Å; G196-S266 WeakPolarHBondContact O-CA 3.46Å; G196-Y267 VanDerWaalsContact CA-CZ 3.44Å; G196-Y267 PolarHBondContact N-O 3.5Å; G196-Y267 PolarHBondContact O-N 2.85Å
197S97.6Very high94.7Very high18 Ų1841.5 Ų41.513%0.12622%0.215CC..EExtended strand (participates in β ladder)trans-135136.5175.8177.70000108.8I176 E263 M265I176-S197 PolarHBondContact N-O 3.33Å; I176-S197 PolarHBondContact O-N 3.39Å; S197-E263 VanDerWaalsContact CB-OE1 3.32Å; S197-E263 WeakPolarHBondContact CB-OE1 3.16Å; S197-E263 WeakPolarHBondContact OG-CG 3.41Å; S197-E263 PolarHBondContact OG-OE1 2.82Å; S197-M265 WeakPolarHBondContact CA-O 3.25Å
198I97.8Very high95.2Very high0 Ų040 Ų400%020%0.2CC..EExtended strand (participates in β ladder)trans-107102.5170.9-56-173.2000107.3L173 D174 V175 M200 L212 L214 L264 M265 Y267L173-I198 HydrophobicContact CD2-CG2 4.43Å; D174-I198 WeakPolarHBondContact O-CA 3.3Å; V175-I198 HydrophobicContact CG2-CD1 4.48Å; V175-I198 HydrophobicContact CG2-CG1 4.31Å; I198-M200 HydrophobicContact CG2-CG 4.47Å; I198-L212 HydrophobicContact CD1-CD2 4.23Å; I198-L214 HydrophobicContact CD1-CD1 4.36Å; I198-L214 HydrophobicContact CD1-CD2 4.23Å; I198-L264 PolarHBondContact O-N 3.37Å; I198-M265 HydrophobicContact CB-CG 3.86Å; I198-M265 HydrophobicContact CD1-CE 4.38Å; I198-M265 HydrophobicContact CD1-CG 3.88Å; I198-M265 HydrophobicContact CD1-SD 3.75Å; I198-M265 HydrophobicContact CG1-CG 3.91Å; I198-M265 HydrophobicContact CG1-SD 4.42Å; I198-M265 PolarHBondContact N-O 3.36Å; I198-Y267 HydrophobicContact CG1-CE1 4.04Å
199K97.6Very high95.4Very high81 Ų8136.6 Ų36.635%0.35218%0.181SC..EExtended strand (participates in β ladder)trans-91.2136.8172.8-62.4-173178.5-172.60109.6D174 I176 E263D174-K199 HydrophobicContact CB-CB 4.3Å; D174-K199 PolarHBondContact N-O 2.87Å; D174-K199 PolarHBondContact O-N 3.01Å; I176-K199 HydrophobicContact CD1-CD 4.12Å; K199-E263 HydrophobicContact CG-CB 4.48Å
200M97.6Very high95.6Very high0 Ų033.3 Ų33.30%016%0.161CC..EExtended strand (participates in β ladder)trans-118.5141.3179.6-63.2-167.368.100110.3V171 F172 L173 I198 V202 L210 F255 E261 F262 L264 L395V171-M200 HydrophobicContact CG1-CE 3.41Å; V171-M200 VanDerWaalsContact CG1-CE 3.41Å; F172-M200 CarbonylContact O-C 3.55Å; F172-M200 VanDerWaalsContact O-CA 3.3Å; F172-M200 WeakPolarHBondContact O-CA 3.46Å; L173-M200 HydrophobicContact CD1-CE 4.22Å; L173-M200 HydrophobicContact CD2-CE 4.23Å; L173-M200 HydrophobicContact CG-CE 4.03Å; L173-M200 HydrophobicContact CG-CG 4.31Å; I198-M200 HydrophobicContact CG2-CG 4.47Å; M200-V202 HydrophobicContact CB-CG2 4.05Å; M200-V202 HydrophobicContact CE-CG2 4.08Å; M200-L210 HydrophobicContact CE-CD2 3.92Å; M200-F255 HydrophobicContact CE-CE2 4.31Å; M200-F255 HydrophobicContact CE-CZ 4.1Å; M200-F255 HydrophobicContact SD-CE2 3.82Å; M200-F255 HydrophobicContact SD-CZ 3.63Å; M200-E261 CarbonylContact O-C 3.52Å; M200-E261 VanDerWaalsContact O-CA 3.29Å; M200-E261 WeakPolarHBondContact O-CA 3.25Å; M200-F262 HydrophobicContact CB-CD1 4.32Å; M200-F262 HydrophobicContact CB-CE1 3.81Å; M200-F262 HydrophobicContact CB-CZ 4Å; M200-F262 HydrophobicContact CG-CZ 4.42Å; M200-F262 PolarHBondContact N-O 2.86Å; M200-F262 PolarHBondContact O-N 2.94Å; M200-F262 HydrophobicContact SD-CZ 4.07Å; M200-L264 HydrophobicContact CG-CB 4.02Å; M200-L264 HydrophobicContact SD-CB 3.91Å; M200-L264 HydrophobicContact SD-CD1 4.47Å; M200-L264 HydrophobicContact SD-CD2 3.61Å; M200-L264 HydrophobicContact SD-CG 4.19Å; M200-L395 HydrophobicContact CE-CD1 4.49Å; M200-L395 HydrophobicContact CE-CD2 4.36Å
201R97.3Very high95.8Very high109 Ų10932.7 Ų32.741%0.41115%0.152SC..EExtended strand (participates in β ladder)trans-118.3108.4165.5-58.8172.961.7-166.60.4107.8F172 F203 G260 E261F172-R201 HydrophobicContact CB-CB 4.2Å; F172-R201 HydrophobicContact CD2-CB 4.34Å; F172-R201 PolarHBondContact N-O 3.12Å; F172-R201 PolarHBondContact O-N 3.43Å; R201-F203 HydrophobicContact CB-CE2 4.03Å; R201-F203 HydrophobicContact CB-CZ 4.41Å; R201-G260 WeakPolarHBondContact CA-O 3.47Å; R201-E261 HydrophobicContact CG-CB 4.07Å; R201-E261 HydrophobicContact CG-CG 3.98Å
202V96.9Very high96Very high0 Ų026.2 Ų26.20%013%0.127CC..EExtended strand (participates in β ladder)trans-109.3116.5-169.9-179.20000109.7V171 M200 L204 P257 G260 F262V171-V202 HydrophobicContact CG1-CG2 4.16Å; M200-V202 HydrophobicContact CB-CG2 4.05Å; M200-V202 HydrophobicContact CE-CG2 4.08Å; V202-L204 HydrophobicContact CG1-CB 3.92Å; V202-L204 HydrophobicContact CG1-CD1 3.68Å; V202-L204 HydrophobicContact CG1-CG 3.6Å; V202-P257 HydrophobicContact CB-CB 4.28Å; V202-P257 HydrophobicContact CG1-CB 3.99Å; V202-P257 HydrophobicContact CG1-CG 3.73Å; V202-P257 HydrophobicContact CG2-CB 3.83Å; V202-P257 HydrophobicContact CG2-CG 4.36Å; V202-G260 PolarHBondContact N-O 2.87Å; V202-G260 PolarHBondContact O-N 3.37Å; V202-F262 HydrophobicContact CG2-CE1 3.68Å; V202-F262 HydrophobicContact CG2-CZ 4.46Å
203F96.6Very high96Very high53 Ų5325.5 Ų25.523%0.23212%0.123CC..EExtended strand (participates in β ladder)trans-118.876.5174.2-55.4-72.2000107.8Y166 N169 E170 F172 R201Y166-F203 HydrophobicContact CD1-CB 4.01Å; Y166-F203 HydrophobicContact CD1-CD1 4.44Å; Y166-F203 HydrophobicContact CD2-CB 4.4Å; Y166-F203 HydrophobicContact CE1-CB 3.99Å; Y166-F203 AromaticContact CE1-CD1 3.68Å; Y166-F203 HydrophobicContact CE1-CD1 3.68Å; Y166-F203 HydrophobicContact CE1-CG 4.31Å; Y166-F203 HydrophobicContact CE2-CB 4.36Å; Y166-F203 HydrophobicContact CG-CB 4.21Å; Y166-F203 AromaticContact CZ-CD1 3.85Å; N169-F203 CarbonylContact C-O 3.59Å; N169-F203 VanDerWaalsContact CA-O 3.25Å; N169-F203 WeakPolarHBondContact CA-O 3.37Å; E170-F203 PolarHBondContact N-O 3.22Å; E170-F203 CarbonylContact O-C 3.55Å; E170-F203 WeakPolarHBondContact O-CA 3.25Å; E170-F203 PolarHBondContact O-N 2.76Å; F172-F203 HydrophobicContact CD2-CD2 4.02Å; F172-F203 AromaticContact CD2-CE2 3.9Å; F172-F203 HydrophobicContact CD2-CE2 3.9Å; F172-F203 AromaticContact CE2-CD2 3.83Å; F172-F203 HydrophobicContact CE2-CD2 3.83Å; F172-F203 AromaticContact CE2-CE2 3.89Å; F172-F203 HydrophobicContact CE2-CE2 3.89Å; R201-F203 HydrophobicContact CB-CE2 4.03Å; R201-F203 HydrophobicContact CB-CZ 4.41Å
204L96Very high95.9Very high0 Ų025.4 Ų25.40%012%0.123CC..  trans-123.8142-173.9-68.8-176.9000111R160 I164 Y166 N169 V171 V202 P208 L210 I397 Y403 A405R160-L204 PolarHBondContact NH2-O 3.45Å; I164-L204 WeakPolarHBondContact CG2-O 3.4Å; Y166-L204 WeakPolarHBondContact CD2-O 3.45Å; N169-L204 HydrophobicContact CB-CD2 3.82Å; V171-L204 HydrophobicContact CG2-CD1 3.68Å; V171-L204 HydrophobicContact CG2-CD2 3.75Å; V171-L204 HydrophobicContact CG2-CG 3.75Å; V202-L204 HydrophobicContact CG1-CB 3.92Å; V202-L204 HydrophobicContact CG1-CD1 3.68Å; V202-L204 HydrophobicContact CG1-CG 3.6Å; L204-P208 HydrophobicContact CB-CG 3.88Å; L204-P208 HydrophobicContact CD1-CB 4.16Å; L204-P208 HydrophobicContact CD1-CG 3.61Å; L204-P208 HydrophobicContact CG-CG 4.42Å; L204-L210 HydrophobicContact CD1-CD1 3.72Å; L204-L210 HydrophobicContact CD1-CD2 4.38Å; L204-I397 HydrophobicContact CD1-CG2 4.23Å; L204-Y403 HydrophobicContact CD2-CE2 4.03Å; L204-A405 HydrophobicContact CD2-CB 3.77Å
205S95.2Very high95.8Very high18 Ų1825.4 Ų25.413%0.12612%0.123CC..SBendtrans-82.9147.3175.5-52.10000111I164 Y166 N169 Y403I164-S205 CarbonylContact O-C 3.48Å; I164-S205 VanDerWaalsContact O-CA 3.25Å; I164-S205 WeakPolarHBondContact O-CA 3.33Å; Y166-S205 PolarHBondContact N-OG 2.58Å; Y166-S205 PolarHBondContact O-OG 3.01Å; N169-S205 WeakPolarHBondContact OD1-CB 3.47Å; N169-S205 PolarHBondContact OD1-N 2.84Å; N169-S205 PolarHBondContact OD1-OG 2.98Å; S205-Y403 WeakPolarHBondContact O-CE1 3.41Å; S205-Y403 PolarHBondContact O-OH 3.34Å
206G93.6Very high95.4Very high20 Ų2023.3 Ų23.321%0.20611%0.11CC..SBendtrans76.1-146.2175.900000114R160 I164 P208R160-G206 PolarHBondContact NE-O 3.04Å; R160-G206 PolarHBondContact NH2-O 2.87Å; I164-G206 PolarHBondContact O-N 2.89Å; G206-P208 VanDerWaalsContact C-CD 3.43Å; G206-P208 WeakPolarHBondContact O-CD 3.4Å
207M94.3Very high94.9Very high51 Ų5125.9 Ų25.925%0.25112%0.121SC..  trans-124.668.1-175.2-67.9-63.6-7600110.1V157 R160 E162 I256 E399V157-M207 HydrophobicContact CB-CE 4.41Å; V157-M207 HydrophobicContact CG1-CE 3.84Å; R160-M207 HydrophobicContact CB-CE 4.24Å; R160-M207 HydrophobicContact CB-SD 4.28Å; R160-M207 WeakPolarHBondContact CD-SD 3.04Å; R160-M207 HydrophobicContact CG-CE 4.31Å; R160-M207 HydrophobicContact CG-SD 3.71Å; E162-M207 HydrophobicContact CG-CG 4.18Å; E162-M207 HydrophobicContact CG-SD 4.35Å; M207-I256 HydrophobicContact CE-CG2 4.22Å; M207-E399 PolarHBondContact N-OE2 2.88Å
208P95.7Very high94.3Very high0 Ų027.8 Ų27.80%013%0.132CC..  trans-75.9137.8-169.230.3-36.7000111.3L204 G206 L210 P257 I397 I398 E399L204-P208 HydrophobicContact CB-CG 3.88Å; L204-P208 HydrophobicContact CD1-CB 4.16Å; L204-P208 HydrophobicContact CD1-CG 3.61Å; L204-P208 HydrophobicContact CG-CG 4.42Å; G206-P208 VanDerWaalsContact C-CD 3.43Å; G206-P208 WeakPolarHBondContact O-CD 3.4Å; P208-L210 HydrophobicContact CB-CD1 3.82Å; P208-L210 HydrophobicContact CG-CD1 4.03Å; P208-P257 HydrophobicContact CG-CG 4.35Å; P208-P257 WeakPolarHBondContact O-CD 3.11Å; P208-I397 HydrophobicContact CB-CG2 4.25Å; P208-I398 CarbonylContact C-O 3.58Å; P208-I398 WeakPolarHBondContact CA-O 3.25Å; P208-E399 WeakPolarHBondContact CA-OE2 3.45Å; P208-E399 HydrophobicContact CB-CB 4.28Å; P208-E399 WeakPolarHBondContact CD-OE2 3.37Å
209E95.7Very high93.5Very high34 Ų3429.4 Ų29.416%0.15914%0.14CC..EExtended strand (participates in β ladder)trans-87.6114.7166.1-174.6177.7130.500108.8R211 R243 R246 S254 I398E209-R211 IonicContact OE1-CZ 2.79Å; E209-R211 IonicContact OE1-NE 3.52Å; E209-R211 PolarHBondContact OE1-NE 3.31Å; E209-R211 VanDerWaalsContact OE1-NE 3.16Å; E209-R211 IonicContact OE1-NH2 3.69Å; E209-R211 PolarHBondContact OE1-NH2 2.92Å; E209-R243 IonicContact OE1-NH1 2.61Å; E209-R243 IonicContact OE2-CZ 2.81Å; E209-R243 IonicContact OE2-NH1 2.91Å; E209-R243 PolarHBondContact OE2-NH1 2.8Å; E209-R243 IonicContact OE2-NH2 3.83Å; E209-R246 IonicContact OE1-NH1 2.84Å; E209-R246 PolarHBondContact OE1-NH1 2.94Å; E209-R246 IonicContact OE2-NH1 3.29Å; E209-S254 PolarHBondContact OE1-OG 2.84Å; E209-I398 HydrophobicContact CB-CB 4.33Å; E209-I398 PolarHBondContact N-O 2.79Å; E209-I398 WeakPolarHBondContact O-CB 3.45Å; E209-I398 PolarHBondContact O-N 3.01Å
210L96.5Very high92.9Very high0 Ų026 Ų260%013%0.125CC..EExtended strand (participates in β ladder)trans-93.5144.3174.8-89.460.2000110.5M200 L204 P208 S254 F255 P257 L395 K396 I397M200-L210 HydrophobicContact CE-CD2 3.92Å; L204-L210 HydrophobicContact CD1-CD1 3.72Å; L204-L210 HydrophobicContact CD1-CD2 4.38Å; P208-L210 HydrophobicContact CB-CD1 3.82Å; P208-L210 HydrophobicContact CG-CD1 4.03Å; L210-S254 WeakPolarHBondContact O-CA 3.33Å; L210-F255 HydrophobicContact CB-CD1 4.35Å; L210-F255 HydrophobicContact CB-CD2 4.14Å; L210-F255 HydrophobicContact CB-CE1 3.96Å; L210-F255 HydrophobicContact CB-CE2 3.73Å; L210-F255 HydrophobicContact CB-CG 4.43Å; L210-F255 HydrophobicContact CB-CZ 3.62Å; L210-F255 HydrophobicContact CD2-CE2 3.81Å; L210-F255 HydrophobicContact CD2-CZ 3.93Å; L210-F255 HydrophobicContact CG-CE2 4.42Å; L210-F255 HydrophobicContact CG-CZ 4.43Å; L210-F255 PolarHBondContact N-O 2.89Å; L210-F255 PolarHBondContact O-N 2.9Å; L210-P257 HydrophobicContact CD1-CG 3.98Å; L210-P257 HydrophobicContact CD2-CB 4.47Å; L210-P257 HydrophobicContact CD2-CG 3.96Å; L210-P257 HydrophobicContact CG-CG 4.48Å; L210-L395 HydrophobicContact CB-CD1 4.41Å; L210-L395 HydrophobicContact CD2-CD1 4.15Å; L210-L395 HydrophobicContact CD2-CD2 4.1Å; L210-L395 HydrophobicContact CD2-CG 4.44Å; L210-L395 HydrophobicContact CG-CD1 4.34Å; L210-K396 CarbonylContact C-O 3.53Å; L210-K396 VanDerWaalsContact CA-O 3.3Å; L210-K396 WeakPolarHBondContact CA-O 3.36Å; L210-I397 HydrophobicContact CD1-CG1 4.24Å; L210-I397 HydrophobicContact CD1-CG2 4.17Å; L210-I397 HydrophobicContact CG-CG1 4.2Å
211R95.8Very high92.3Very high85 Ų8531 Ų3132%0.32115%0.149SC..EExtended strand (participates in β ladder)trans-129.8117.1169.2-54.5-175.4-174.61756.1110.6E209 T252 I253 L395 K396 I398E209-R211 IonicContact OE1-CZ 2.79Å; E209-R211 IonicContact OE1-NE 3.52Å; E209-R211 PolarHBondContact OE1-NE 3.31Å; E209-R211 VanDerWaalsContact OE1-NE 3.16Å; E209-R211 IonicContact OE1-NH2 3.69Å; E209-R211 PolarHBondContact OE1-NH2 2.92Å; R211-T252 HydrophobicContact CB-CG2 4.49Å; R211-I253 CarbonylContact C-O 3.5Å; R211-I253 VanDerWaalsContact CA-O 3.28Å; R211-I253 WeakPolarHBondContact CA-O 3.48Å; R211-L395 WeakPolarHBondContact O-CA 3.28Å; R211-K396 HydrophobicContact CB-CB 4.24Å; R211-K396 PolarHBondContact N-O 3.48Å; R211-K396 PolarHBondContact O-N 3.18Å; R211-I398 HydrophobicContact CG-CD1 4.48Å
212L95.6Very high91.5Very high2 Ų231.5 Ų31.51%0.0116%0.159CC..EExtended strand (participates in β ladder)trans-96.3130.1178.8179.666.9000109.9L173 I198 L214 I253 F255 L264 V392 L395L173-L212 HydrophobicContact CD2-CD1 3.97Å; I198-L212 HydrophobicContact CD1-CD2 4.23Å; L212-L214 HydrophobicContact CD1-CD2 4.46Å; L212-L214 HydrophobicContact CD2-CD2 4.25Å; L212-L214 HydrophobicContact CD2-CG 4.45Å; L212-L214 HydrophobicContact CG-CD2 4.25Å; L212-L214 HydrophobicContact CG-CG 4.39Å; L212-I253 HydrophobicContact CB-CB 4.11Å; L212-I253 HydrophobicContact CB-CG2 4.22Å; L212-I253 HydrophobicContact CD2-CD1 4.19Å; L212-I253 HydrophobicContact CG-CD1 4.49Å; L212-I253 PolarHBondContact N-O 3.25Å; L212-F255 HydrophobicContact CB-CE1 4.11Å; L212-L264 HydrophobicContact CD2-CD2 3.64Å; L212-V392 HydrophobicContact CD1-CG1 3.63Å; L212-V392 HydrophobicContact CD1-CG2 4.38Å; L212-L395 HydrophobicContact CB-CD1 4.15Å; L212-L395 HydrophobicContact CD1-CD1 4.07Å
213G92.8Very high90.8Very high2 Ų235.4 Ų35.42%0.02118%0.183CC..EExtended strand (participates in β ladder)trans-112.6121.6173.500000111.1R393 Y394G213-R393 WeakPolarHBondContact O-CB 3.38Å; G213-R393 PolarHBondContact O-N 2.82Å; G213-Y394 PolarHBondContact N-O 2.95Å; G213-Y394 PolarHBondContact O-N 2.92Å
214L93.7Very high90Very high8 Ų836.3 Ų36.34%0.04221%0.208CC..EExtended strand (participates in β ladder)trans-106169174.6-59.5175.6000110.6I198 L212 D216 I253 M265 I390 Q391 V392 R393I198-L214 HydrophobicContact CD1-CD1 4.36Å; I198-L214 HydrophobicContact CD1-CD2 4.23Å; L212-L214 HydrophobicContact CD1-CD2 4.46Å; L212-L214 HydrophobicContact CD2-CD2 4.25Å; L212-L214 HydrophobicContact CD2-CG 4.45Å; L212-L214 HydrophobicContact CG-CD2 4.25Å; L212-L214 HydrophobicContact CG-CG 4.39Å; L214-D216 PolarHBondContact O-N 3.18Å; L214-I253 HydrophobicContact CD1-CD1 3.81Å; L214-I253 HydrophobicContact CG-CD1 4.28Å; L214-M265 HydrophobicContact CD1-CE 4.06Å; L214-M265 HydrophobicContact CD1-SD 4.05Å; L214-I390 HydrophobicContact CD1-CD1 4.24Å; L214-I390 HydrophobicContact CD2-CD1 4.49Å; L214-I390 HydrophobicContact CD2-CG1 4.43Å; L214-Q391 WeakPolarHBondContact CA-O 3.33Å; L214-V392 HydrophobicContact CD2-CG2 4Å; L214-R393 WeakPolarHBondContact O-CD 3.45Å
215N92Very high89.1Confident1 Ų142.1 Ų42.11%0.00523%0.23CC..  trans-83.246.8167.564.4-32.5000112.1K217 F220 K229 S230 V231 G389 I390 Q391 R393N215-K217 PolarHBondContact O-N 2.85Å; N215-F220 HydrophobicContact CB-CE1 4.3Å; N215-F220 HydrophobicContact CB-CE2 4.18Å; N215-F220 HydrophobicContact CB-CZ 3.77Å; N215-K229 PolarHBondContact ND2-O 2.88Å; N215-S230 CarbonylContact O-C 3.54Å; N215-S230 WeakPolarHBondContact O-CA 3.37Å; N215-S230 WeakPolarHBondContact O-CB 3.44Å; N215-V231 PolarHBondContact O-N 2.96Å; N215-G389 PolarHBondContact ND2-O 2.81Å; N215-G389 VanDerWaalsContact ND2-O 3.08Å; N215-I390 WeakPolarHBondContact OD1-CA 3.49Å; N215-Q391 PolarHBondContact N-O 2.98Å; N215-Q391 PolarHBondContact OD1-N 3.24Å; N215-Q391 PolarHBondContact OD1-O 3.33Å; N215-R393 HydrophobicContact CB-CG 4.47Å
216D88.3Confident88Confident8 Ų843.5 Ų43.54%0.04325%0.246CC..BIsolated β-bridgetrans-62.2129.7177.7-178.56.8000110.7L214 V218 L219 F220 R251L214-D216 PolarHBondContact O-N 3.18Å; D216-V218 VanDerWaalsContact C-N 3.34Å; D216-V218 PolarHBondContact O-N 2.79Å; D216-V218 PolarHBondContact OD1-N 2.88Å; D216-L219 HydrophobicContact CB-CB 4Å; D216-L219 PolarHBondContact O-N 3.4Å; D216-F220 WeakPolarHBondContact O-CB 3.47Å; D216-F220 WeakPolarHBondContact O-CD1 3.32Å; D216-F220 PolarHBondContact O-N 3.34Å; D216-R251 IonicContact OD1-NH2 3.57Å; D216-R251 IonicContact OD2-CZ 3.62Å; D216-R251 VanDerWaalsContact OD2-CZ 3.29Å; D216-R251 IonicContact OD2-NE 2.7Å; D216-R251 PolarHBondContact OD2-NE 2.8Å; D216-R251 IonicContact OD2-NH2 3.86Å; D216-R251 PolarHBondContact OD2-NH2 2.76Å
217K87Confident87.2Confident54 Ų5453 Ų5324%0.23528%0.282CS..Hα-helixtrans-57.9-45179.2-177.7-178.7173.8-163.30111.6N215 L219 F220 E221 V231 E232N215-K217 PolarHBondContact O-N 2.85Å; K217-L219 PolarHBondContact O-N 3.06Å; K217-F220 PolarHBondContact O-N 2.98Å; K217-F220 VanDerWaalsContact O-N 3.12Å; K217-E221 WeakPolarHBondContact CE-OE1 3.29Å; K217-E221 HydrophobicContact CG-CG 4.48Å; K217-E221 WeakPolarHBondContact CG-OE1 3.44Å; K217-E221 WeakPolarHBondContact O-CG 3.21Å; K217-E221 PolarHBondContact O-N 2.73Å; K217-V231 WeakPolarHBondContact CB-O 3.43Å; K217-V231 PolarHBondContact N-O 3.36Å; K217-E232 HydrophobicContact CB-CB 4.38Å; K217-E232 HydrophobicContact CD-CB 3.8Å; K217-E232 HydrophobicContact CD-CG 3.99Å; K217-E232 IonicContact NZ-OE1 3.61Å; K217-E232 PolarHBondContact NZ-OE1 3.07Å; K217-E232 IonicContact NZ-OE2 3.22Å; K217-E232 PolarHBondContact NZ-OE2 3.19Å
218V84.6Confident86.5Confident58 Ų5852.9 Ų52.935%0.35229%0.286SS..Hα-helixtrans-63.2-45-178.4-177.90000110.6D216 F220 E221 N222 R251D216-V218 VanDerWaalsContact C-N 3.34Å; D216-V218 PolarHBondContact O-N 2.79Å; D216-V218 PolarHBondContact OD1-N 2.88Å; V218-F220 VanDerWaalsContact C-N 3.3Å; V218-F220 PolarHBondContact O-N 3.38Å; V218-E221 PolarHBondContact O-N 2.8Å; V218-N222 VanDerWaalsContact O-CG 3.31Å; V218-N222 PolarHBondContact O-N 2.88Å; V218-R251 HydrophobicContact CB-CG 4.48Å; V218-R251 HydrophobicContact CG1-CG 4.12Å
219L82Confident85.9Confident33 Ų3359 Ų5917%0.17331%0.313CS..Hα-helixtrans-60.5-40.5175.2179.367.5000111.8D216 K217 T223 D250 R251D216-L219 HydrophobicContact CB-CB 4Å; D216-L219 PolarHBondContact O-N 3.4Å; K217-L219 PolarHBondContact O-N 3.06Å; L219-T223 WeakPolarHBondContact O-CB 3.32Å; L219-T223 PolarHBondContact O-N 3.07Å; L219-T223 VanDerWaalsContact O-N 3.11Å; L219-T223 PolarHBondContact O-OG1 3.15Å; L219-D250 WeakPolarHBondContact CD1-O 3.37Å; L219-R251 HydrophobicContact CB-CB 4.12Å; L219-R251 HydrophobicContact CD1-CB 4.2Å
220F84.3Confident85.5Confident9 Ų959.1 Ų59.14%0.03932%0.317CS..Hα-helixtrans-72-37.9-178-84.731.6000112.3N215 D216 K217 V218 T223 G224 R225 S228N215-F220 HydrophobicContact CB-CE1 4.3Å; N215-F220 HydrophobicContact CB-CE2 4.18Å; N215-F220 HydrophobicContact CB-CZ 3.77Å; D216-F220 WeakPolarHBondContact O-CB 3.47Å; D216-F220 WeakPolarHBondContact O-CD1 3.32Å; D216-F220 PolarHBondContact O-N 3.34Å; K217-F220 PolarHBondContact O-N 2.98Å; K217-F220 VanDerWaalsContact O-N 3.12Å; V218-F220 VanDerWaalsContact C-N 3.3Å; V218-F220 PolarHBondContact O-N 3.38Å; F220-T223 CarbonylContact O-C 3.54Å; F220-T223 PolarHBondContact O-N 2.71Å; F220-G224 PolarHBondContact O-N 3.28Å; F220-R225 HydrophobicContact CB-CB 4.27Å; F220-R225 HydrophobicContact CD2-CB 4.23Å; F220-R225 HydrophobicContact CG-CB 4.26Å; F220-R225 WeakPolarHBondContact O-CA 3.35Å; F220-R225 PolarHBondContact O-N 3.29Å; F220-S228 WeakPolarHBondContact CD2-OG 3.37Å; F220-S228 WeakPolarHBondContact CE2-OG 3.49Å
221E83.8Confident85.2Confident107 Ų10759.2 Ų59.250%0.532%0.318SS..Hα-helixtrans-61.9-47.4173.1-73.7174.6179.900110.6K217 V218 T223 G224K217-E221 WeakPolarHBondContact CE-OE1 3.29Å; K217-E221 HydrophobicContact CG-CG 4.48Å; K217-E221 WeakPolarHBondContact CG-OE1 3.44Å; K217-E221 WeakPolarHBondContact O-CG 3.21Å; K217-E221 PolarHBondContact O-N 2.73Å; V218-E221 PolarHBondContact O-N 2.8Å; E221-T223 PolarHBondContact O-N 3.36Å; E221-G224 PolarHBondContact O-N 2.82Å; E221-G224 VanDerWaalsContact O-N 3.08Å
222N82.3Confident85Confident118 Ų11860.6 Ų60.663%0.63133%0.328SS*.Hα-helixtrans-61.2-29.3176.9-70.6-6.2000113.5V218V218-N222 VanDerWaalsContact O-CG 3.31Å; V218-N222 PolarHBondContact O-N 2.88Å
223T81.1Confident84.7Confident82 Ų8261.5 Ų61.550%0.50333%0.333SS..THydrogen-bonded Turntrans-95.47.1-180-41.70000112.9L219 F220 E221 R225L219-T223 WeakPolarHBondContact O-CB 3.32Å; L219-T223 PolarHBondContact O-N 3.07Å; L219-T223 VanDerWaalsContact O-N 3.11Å; L219-T223 PolarHBondContact O-OG1 3.15Å; F220-T223 CarbonylContact O-C 3.54Å; F220-T223 PolarHBondContact O-N 2.71Å; E221-T223 PolarHBondContact O-N 3.36Å; T223-R225 VanDerWaalsContact C-N 3.31Å; T223-R225 PolarHBondContact O-N 3.19Å
224G79.8Confident84.7Confident72 Ų7266 Ų6674%0.74235%0.353SS*.THydrogen-bonded Turntrans70.919.8-179.700000115.1F220 E221F220-G224 PolarHBondContact O-N 3.28Å; E221-G224 PolarHBondContact O-N 2.82Å; E221-G224 VanDerWaalsContact O-N 3.08Å
225R77.1Confident84.6Confident123 Ų12368.9 Ų68.946%0.46437%0.369SS..  trans-105.819.1-179.2-66.1-173.3-179.9168.1-0.9114.1F220 T223 K227 S228 R393F220-R225 HydrophobicContact CB-CB 4.27Å; F220-R225 HydrophobicContact CD2-CB 4.23Å; F220-R225 HydrophobicContact CG-CB 4.26Å; F220-R225 WeakPolarHBondContact O-CA 3.35Å; F220-R225 PolarHBondContact O-N 3.29Å; T223-R225 VanDerWaalsContact C-N 3.31Å; T223-R225 PolarHBondContact O-N 3.19Å; R225-K227 PolarHBondContact O-N 3.17Å; R225-S228 PolarHBondContact O-N 3.3Å; R225-S228 PolarHBondContact O-OG 2.7Å; R225-R393 VanDerWaalsContact NH1-NH2 3.15Å
226G72.6Confident84.7Confident46 Ų4670.1 Ų70.147%0.47438%0.377SS..THydrogen-bonded Turntrans-58-17.3-174.900000116.3S228G226-S228 VanDerWaalsContact C-N 3.32Å
227K75.9Confident85.1Confident219 Ų21976 Ų7695%0.95240%0.402SS*.THydrogen-bonded Turntrans-78.5-12.6174.7-64.8-172.8179.9-178.90114.2R225R225-K227 PolarHBondContact O-N 3.17Å
228S80.9Confident85.6Confident50 Ų5075.4 Ų75.435%0.3540%0.399SS..SBendtrans-88.1155-179.962.30000111.3F220 R225 G226 S230F220-S228 WeakPolarHBondContact CD2-OG 3.37Å; F220-S228 WeakPolarHBondContact CE2-OG 3.49Å; R225-S228 PolarHBondContact O-N 3.3Å; R225-S228 PolarHBondContact O-OG 2.7Å; G226-S228 VanDerWaalsContact C-N 3.32Å; S228-S230 PolarHBondContact O-N 3.35Å
229K82.9Confident86.1Confident129 Ų12975 Ų7556%0.56139%0.393SS*.  trans-60.4110-178-172.7-173179.4-167.70110.6N215N215-K229 PolarHBondContact ND2-O 2.88Å
230S87.6Confident86.7Confident35 Ų3578 Ų7825%0.24541%0.406CS..  trans-114.9166.2175.756.60000111.6N215 S228N215-S230 CarbonylContact O-C 3.54Å; N215-S230 WeakPolarHBondContact O-CA 3.37Å; N215-S230 WeakPolarHBondContact O-CB 3.44Å; S228-S230 PolarHBondContact O-N 3.35Å
231V90.1Very high87.2Confident3 Ų377.8 Ų77.82%0.01841%0.406CS..BIsolated β-bridgetrans-113.8133.4170.364.80000108.8N215 K217 L233 L269 I390N215-V231 PolarHBondContact O-N 2.96Å; K217-V231 WeakPolarHBondContact CB-O 3.43Å; K217-V231 PolarHBondContact N-O 3.36Å; V231-L233 HydrophobicContact CG1-CD2 4.03Å; V231-L233 HydrophobicContact CG1-CG 4.32Å; V231-L233 HydrophobicContact CG2-CD2 3.88Å; V231-L269 HydrophobicContact CG2-CD1 4.1Å; V231-I390 HydrophobicContact CG1-CB 4.2Å; V231-I390 HydrophobicContact CG1-CD1 4.5Å; V231-I390 HydrophobicContact CG1-CG1 4.04Å
232E90.3Very high87.9Confident113 Ų11373 Ų7353%0.52838%0.384SS..  trans-95.6112.8173.8-173.1159.8-146.200108.1K217 L269K217-E232 HydrophobicContact CB-CB 4.38Å; K217-E232 HydrophobicContact CD-CB 3.8Å; K217-E232 HydrophobicContact CD-CG 3.99Å; K217-E232 IonicContact NZ-OE1 3.61Å; K217-E232 PolarHBondContact NZ-OE1 3.07Å; K217-E232 IonicContact NZ-OE2 3.22Å; K217-E232 PolarHBondContact NZ-OE2 3.19Å; E232-L269 WeakPolarHBondContact O-CB 3.47Å
233L90.6Very high88.4Confident22 Ų2271.6 Ų71.612%0.11537%0.37CS..  trans-94.4117.8179.2-54.3176.2000107.5V231 V236 Y267V231-L233 HydrophobicContact CG1-CD2 4.03Å; V231-L233 HydrophobicContact CG1-CG 4.32Å; V231-L233 HydrophobicContact CG2-CD2 3.88Å; L233-V236 HydrophobicContact CB-CG2 3.7Å; L233-V236 HydrophobicContact CD1-CG2 3.76Å; L233-V236 HydrophobicContact CG-CG2 4.33Å; L233-Y267 HydrophobicContact CD2-CD2 3.67Å; L233-Y267 HydrophobicContact CD2-CE2 4.39Å; L233-Y267 HydrophobicContact CD2-CG 4.05Å
234E91.3Very high89Confident95 Ų9572.7 Ų72.744%0.44437%0.372SS..SBendtrans-73.9-44.7179-69.9-173.8177.400111.6R268 N270E234-R268 WeakPolarHBondContact CB-O 3.34Å; E234-R268 PolarHBondContact N-O 2.96Å; E234-R268 IonicContact OE2-CZ 2.68Å; E234-R268 IonicContact OE2-NH1 3.59Å; E234-R268 PolarHBondContact OE2-NH1 3.21Å; E234-R268 IonicContact OE2-NH2 3.32Å; E234-R268 PolarHBondContact OE2-NH2 2.83Å; E234-N270 VanDerWaalsContact CD-ND2 3.32Å; E234-N270 VanDerWaalsContact OE1-CB 3.26Å; E234-N270 WeakPolarHBondContact OE1-CB 3.43Å; E234-N270 PolarHBondContact OE1-N 3.33Å; E234-N270 PolarHBondContact OE1-ND2 3.37Å; E234-N270 PolarHBondContact OE2-ND2 2.86Å
235D92.3Very high89.6Confident70 Ų7073.4 Ų73.437%0.37437%0.366SS..EExtended strand (participates in β ladder)trans-138.7142.8178.9-173.223.4000109.3Y267 R268D235-Y267 CarbonylContact O-C 3.54Å; D235-Y267 VanDerWaalsContact O-CA 3.27Å; D235-Y267 WeakPolarHBondContact O-CA 3.22Å; D235-R268 HydrophobicContact CB-CB 4.39Å; D235-R268 PolarHBondContact N-O 3.41Å; D235-R268 PolarHBondContact O-N 3.17Å
236V94.5Very high90.2Very high27 Ų2771.9 Ų71.916%0.16436%0.36CS..EExtended strand (participates in β ladder)trans-138.3124.3178.1-174.30000108.9L233 F238 M265 S266L233-V236 HydrophobicContact CB-CG2 3.7Å; L233-V236 HydrophobicContact CD1-CG2 3.76Å; L233-V236 HydrophobicContact CG-CG2 4.33Å; V236-F238 HydrophobicContact CB-CE2 4.18Å; V236-F238 HydrophobicContact CB-CZ 4.3Å; V236-F238 HydrophobicContact CG1-CD1 4.29Å; V236-F238 HydrophobicContact CG1-CD2 4.11Å; V236-F238 HydrophobicContact CG1-CE1 3.75Å; V236-F238 HydrophobicContact CG1-CE2 3.54Å; V236-F238 HydrophobicContact CG1-CG 4.47Å; V236-F238 HydrophobicContact CG1-CZ 3.35Å; V236-M265 HydrophobicContact CG1-CB 4.47Å; V236-M265 HydrophobicContact CG1-CE 3.54Å; V236-S266 CarbonylContact C-O 3.54Å; V236-S266 WeakPolarHBondContact CA-O 3.09Å
237K96Very high91.1Very high132 Ų13270.5 Ų70.557%0.57434%0.341SS*.EExtended strand (participates in β ladder)trans-110.4131.1173.6-56.7-176.2-179.8-169.40108.6M265 S266K237-M265 CarbonylContact O-C 3.57Å; K237-M265 WeakPolarHBondContact O-CA 3.46Å; K237-M265 WeakPolarHBondContact O-CB 3.1Å; K237-S266 PolarHBondContact N-O 3.18Å; K237-S266 PolarHBondContact O-N 3.38Å
238F96.8Very high91.8Very high41 Ų4167.1 Ų67.118%0.1833%0.329CS..EExtended strand (participates in β ladder)trans-109.6153.6-178.1-68-73.9000111.6V236 V242 L244 F247 I253 M265V236-F238 HydrophobicContact CB-CE2 4.18Å; V236-F238 HydrophobicContact CB-CZ 4.3Å; V236-F238 HydrophobicContact CG1-CD1 4.29Å; V236-F238 HydrophobicContact CG1-CD2 4.11Å; V236-F238 HydrophobicContact CG1-CE1 3.75Å; V236-F238 HydrophobicContact CG1-CE2 3.54Å; V236-F238 HydrophobicContact CG1-CG 4.47Å; V236-F238 HydrophobicContact CG1-CZ 3.35Å; F238-V242 HydrophobicContact CB-CB 3.8Å; F238-V242 HydrophobicContact CB-CG1 4.22Å; F238-V242 HydrophobicContact CB-CG2 3.89Å; F238-V242 HydrophobicContact CD1-CB 4.13Å; F238-V242 HydrophobicContact CD1-CG1 3.88Å; F238-V242 HydrophobicContact CD1-CG2 3.81Å; F238-V242 HydrophobicContact CD2-CG1 4.45Å; F238-V242 HydrophobicContact CE1-CG1 4.34Å; F238-V242 HydrophobicContact CG-CB 4.06Å; F238-V242 HydrophobicContact CG-CG1 3.93Å; F238-V242 HydrophobicContact CG-CG2 4.14Å; F238-L244 HydrophobicContact CB-CD2 4.12Å; F238-L244 HydrophobicContact CD2-CD2 3.61Å; F238-L244 HydrophobicContact CE2-CD2 4.46Å; F238-L244 HydrophobicContact CG-CD2 4.21Å; F238-F247 AromaticContact CE2-CD1 3.64Å; F238-F247 HydrophobicContact CE2-CD1 3.64Å; F238-F247 HydrophobicContact CE2-CD2 4.12Å; F238-F247 AromaticContact CE2-CE1 3.58Å; F238-F247 HydrophobicContact CE2-CE1 3.58Å; F238-F247 HydrophobicContact CE2-CE2 4.09Å; F238-F247 AromaticContact CE2-CG 3.89Å; F238-F247 HydrophobicContact CE2-CG 3.89Å; F238-F247 AromaticContact CE2-CZ 3.8Å; F238-F247 HydrophobicContact CE2-CZ 3.8Å; F238-F247 HydrophobicContact CZ-CD1 4.12Å; F238-F247 AromaticContact CZ-CD2 3.76Å; F238-F247 HydrophobicContact CZ-CD2 3.76Å; F238-F247 AromaticContact CZ-CE1 3.93Å; F238-F247 HydrophobicContact CZ-CE1 3.93Å; F238-F247 AromaticContact CZ-CE2 3.58Å; F238-F247 HydrophobicContact CZ-CE2 3.58Å; F238-F247 HydrophobicContact CZ-CG 4.01Å; F238-F247 AromaticContact CZ-CZ 3.64Å; F238-F247 HydrophobicContact CZ-CZ 3.64Å; F238-I253 HydrophobicContact CE1-CD1 3.97Å; F238-I253 HydrophobicContact CE1-CG1 3.88Å; F238-I253 HydrophobicContact CE1-CG2 4.05Å; F238-I253 HydrophobicContact CZ-CD1 4.34Å; F238-I253 HydrophobicContact CZ-CG1 4.09Å; F238-M265 HydrophobicContact CD1-CB 3.68Å; F238-M265 HydrophobicContact CD1-SD 4.5Å; F238-M265 HydrophobicContact CE1-CB 3.95Å; F238-M265 HydrophobicContact CE1-CE 4.41Å; F238-M265 HydrophobicContact CE1-SD 3.85Å
239H96.1Very high92.1Very high48 Ų4871.3 Ų71.322%0.22235%0.347CS..  trans-62.7152.9162.8-167.5-93000110.8C241 V242 E263 L264H239-C241 PolarHBondContact ND1-N 2.76Å; H239-C241 PolarHBondContact ND1-SG 3.08Å; H239-C241 PolarHBondContact O-N 2.86Å; H239-V242 PolarHBondContact O-N 2.96Å; H239-E263 WeakPolarHBondContact CB-O 3.45Å; H239-E263 PolarHBondContact CD2-O 3.47Å; H239-L264 WeakPolarHBondContact CB-O 3.46Å; H239-L264 PolarHBondContact N-O 3.06Å
240Q94.2Very high92.1Very high97 Ų9769 Ų6945%0.45334%0.341SS..THydrogen-bonded Turntrans-54.6-20.117860.6173.8-300114.3D127 W159 V242D127-Q240 PolarHBondContact OD1-NE2 3.21Å; D127-Q240 PolarHBondContact OD2-NE2 3.11Å; W159-Q240 HydrophobicContact CD2-CG 4.28Å; W159-Q240 HydrophobicContact CE3-CB 4.49Å; W159-Q240 HydrophobicContact CE3-CG 3.69Å; W159-Q240 HydrophobicContact CZ3-CB 4.4Å; W159-Q240 HydrophobicContact CZ3-CG 4.09Å; Q240-V242 VanDerWaalsContact C-N 3.26Å; Q240-V242 PolarHBondContact O-N 2.88Å
241C95.5Very high92.1Very high4 Ų469.8 Ų69.83%0.02734%0.339CS..THydrogen-bonded Turntrans-74.7-14.4-179.367.40000114.4W159 H239 F255 I256W159-C241 HydrophobicContact CD2-CB 4.1Å; W159-C241 VanDerWaalsContact CE2-CB 3.44Å; W159-C241 HydrophobicContact CG-CB 4.44Å; W159-C241 HydrophobicContact CZ2-CB 3.72Å; H239-C241 PolarHBondContact ND1-N 2.76Å; H239-C241 PolarHBondContact ND1-SG 3.08Å; H239-C241 PolarHBondContact O-N 2.86Å; C241-F255 HydrophobicContact CB-CB 4.3Å; C241-F255 WeakPolarHBondContact O-CA 3.41Å; C241-F255 WeakPolarHBondContact O-CB 3.44Å; C241-I256 VanDerWaalsContact CB-O 3.28Å; C241-I256 WeakPolarHBondContact CB-O 3.1Å
242V97Very high91.9Very high8 Ų870.9 Ų70.95%0.04835%0.345CS..BIsolated β-bridgetrans-84.3130-179-177.50000110.8F238 H239 Q240 L244 I253 F255 L264F238-V242 HydrophobicContact CB-CB 3.8Å; F238-V242 HydrophobicContact CB-CG1 4.22Å; F238-V242 HydrophobicContact CB-CG2 3.89Å; F238-V242 HydrophobicContact CD1-CB 4.13Å; F238-V242 HydrophobicContact CD1-CG1 3.88Å; F238-V242 HydrophobicContact CD1-CG2 3.81Å; F238-V242 HydrophobicContact CD2-CG1 4.45Å; F238-V242 HydrophobicContact CE1-CG1 4.34Å; F238-V242 HydrophobicContact CG-CB 4.06Å; F238-V242 HydrophobicContact CG-CG1 3.93Å; F238-V242 HydrophobicContact CG-CG2 4.14Å; H239-V242 PolarHBondContact O-N 2.96Å; Q240-V242 VanDerWaalsContact C-N 3.26Å; Q240-V242 PolarHBondContact O-N 2.88Å; V242-L244 PolarHBondContact O-N 2.93Å; V242-I253 HydrophobicContact CG1-CG2 4.12Å; V242-I253 HydrophobicContact CG2-CG2 4.33Å; V242-F255 HydrophobicContact CG2-CB 4.06Å; V242-F255 HydrophobicContact CG2-CG 4.45Å; V242-L264 HydrophobicContact CG2-CD1 3.66Å
243R94.7Very high92.2Very high87 Ų8765.8 Ų65.833%0.32832%0.322SS..  trans-76.789.1175.7-63.7-178.5177.3156.60.9110.2E209 S245 R246 F247 S254E209-R243 IonicContact OE1-NH1 2.61Å; E209-R243 IonicContact OE2-CZ 2.81Å; E209-R243 IonicContact OE2-NH1 2.91Å; E209-R243 PolarHBondContact OE2-NH1 2.8Å; E209-R243 IonicContact OE2-NH2 3.83Å; R243-S245 PolarHBondContact O-N 3.15Å; R243-R246 HydrophobicContact CB-CB 4.35Å; R243-R246 HydrophobicContact CB-CG 4.27Å; R243-R246 VanDerWaalsContact NH1-CZ 3.33Å; R243-R246 VanDerWaalsContact NH1-NH1 3.12Å; R243-R246 PolarHBondContact O-N 3.45Å; R243-F247 PolarHBondContact O-N 3.39Å; R243-S254 PolarHBondContact N-O 3.14Å
244L93.1Very high92.5Very high106 Ų10664.8 Ų64.856%0.55532%0.316SS*.Hα-helixtrans-54.6-37.4-178.2-63.3179000113.1F238 V242 R246 F247 E248F238-L244 HydrophobicContact CB-CD2 4.12Å; F238-L244 HydrophobicContact CD2-CD2 3.61Å; F238-L244 HydrophobicContact CE2-CD2 4.46Å; F238-L244 HydrophobicContact CG-CD2 4.21Å; V242-L244 PolarHBondContact O-N 2.93Å; L244-R246 VanDerWaalsContact C-N 3.27Å; L244-R246 PolarHBondContact O-N 3.08Å; L244-F247 PolarHBondContact O-N 3.31Å; L244-F247 VanDerWaalsContact O-N 3.16Å; L244-E248 PolarHBondContact O-N 2.86Å
245S91.6Very high92.8Very high87 Ų8760.2 Ų60.261%0.60830%0.295SS*.Hα-helixtrans-61.7-31.4177.157.50000113.6R243 N249R243-S245 PolarHBondContact O-N 3.15Å; S245-N249 PolarHBondContact O-ND2 2.99Å
246R90.3Very high93Very high90 Ų9057.9 Ų57.934%0.3428%0.282SS..Hα-helixtrans-74.5-44.5173.5-70.8-171.6174.4177.8-3110.8E209 R243 L244 E248 N249 D250 S254E209-R246 IonicContact OE1-NH1 2.84Å; E209-R246 PolarHBondContact OE1-NH1 2.94Å; E209-R246 IonicContact OE2-NH1 3.29Å; R243-R246 HydrophobicContact CB-CB 4.35Å; R243-R246 HydrophobicContact CB-CG 4.27Å; R243-R246 VanDerWaalsContact NH1-CZ 3.33Å; R243-R246 VanDerWaalsContact NH1-NH1 3.12Å; R243-R246 PolarHBondContact O-N 3.45Å; L244-R246 VanDerWaalsContact C-N 3.27Å; L244-R246 PolarHBondContact O-N 3.08Å; R246-E248 VanDerWaalsContact C-N 3.3Å; R246-E248 PolarHBondContact O-N 2.81Å; R246-N249 PolarHBondContact O-N 3.08Å; R246-N249 VanDerWaalsContact O-N 3.17Å; R246-D250 PolarHBondContact O-N 3.29Å; R246-D250 VanDerWaalsContact O-N 3.11Å; R246-S254 PolarHBondContact NH1-OG 2.85Å
247F91.8Very high93.1Very high17 Ų1756.6 Ų56.68%0.07528%0.275CS..Hα-helixtrans-59.4-40.2178.5-178.6-101.5000112.6F238 R243 L244 N249 R251 I253F238-F247 AromaticContact CE2-CD1 3.64Å; F238-F247 HydrophobicContact CE2-CD1 3.64Å; F238-F247 HydrophobicContact CE2-CD2 4.12Å; F238-F247 AromaticContact CE2-CE1 3.58Å; F238-F247 HydrophobicContact CE2-CE1 3.58Å; F238-F247 HydrophobicContact CE2-CE2 4.09Å; F238-F247 AromaticContact CE2-CG 3.89Å; F238-F247 HydrophobicContact CE2-CG 3.89Å; F238-F247 AromaticContact CE2-CZ 3.8Å; F238-F247 HydrophobicContact CE2-CZ 3.8Å; F238-F247 HydrophobicContact CZ-CD1 4.12Å; F238-F247 AromaticContact CZ-CD2 3.76Å; F238-F247 HydrophobicContact CZ-CD2 3.76Å; F238-F247 AromaticContact CZ-CE1 3.93Å; F238-F247 HydrophobicContact CZ-CE1 3.93Å; F238-F247 AromaticContact CZ-CE2 3.58Å; F238-F247 HydrophobicContact CZ-CE2 3.58Å; F238-F247 HydrophobicContact CZ-CG 4.01Å; F238-F247 AromaticContact CZ-CZ 3.64Å; F238-F247 HydrophobicContact CZ-CZ 3.64Å; R243-F247 PolarHBondContact O-N 3.39Å; L244-F247 PolarHBondContact O-N 3.31Å; L244-F247 VanDerWaalsContact O-N 3.16Å; F247-N249 VanDerWaalsContact C-N 3.32Å; F247-N249 PolarHBondContact O-N 3.19Å; F247-R251 VanDerWaalsContact CZ-NH1 3.34Å; F247-R251 WeakPolarHBondContact O-CA 3.22Å; F247-R251 PolarHBondContact O-N 2.77Å; F247-I253 HydrophobicContact CD2-CG1 3.84Å; F247-I253 HydrophobicContact CE2-CG1 3.98Å
248E90Very high93.1Very high148 Ų14850.7 Ų50.769%0.69225%0.249SC*.Hα-helixtrans-62.9-37.9177.5-165.362.7-155.800112.4L244 R246L244-E248 PolarHBondContact O-N 2.86Å; R246-E248 VanDerWaalsContact C-N 3.3Å; R246-E248 PolarHBondContact O-N 2.81Å
249N87.8Confident93Very high138 Ų13850.2 Ų50.274%0.73825%0.249SC*.Hα-helixtrans-77.1-49.4-175.6-73.3-35.9000113.3S245 R246 F247S245-N249 PolarHBondContact O-ND2 2.99Å; R246-N249 PolarHBondContact O-N 3.08Å; R246-N249 VanDerWaalsContact O-N 3.17Å; F247-N249 VanDerWaalsContact C-N 3.32Å; F247-N249 PolarHBondContact O-N 3.19Å
250D83Confident92.9Very high81 Ų8148.5 Ų48.543%0.43325%0.245SC..Hα-helixtrans-131.49.3-169.671.53.7000113.8L219 R246 T252L219-D250 WeakPolarHBondContact CD1-O 3.37Å; R246-D250 PolarHBondContact O-N 3.29Å; R246-D250 VanDerWaalsContact O-N 3.11Å; D250-T252 PolarHBondContact O-N 3.45Å; D250-T252 WeakPolarHBondContact OD1-CA 3.15Å; D250-T252 WeakPolarHBondContact OD1-CB 3.34Å; D250-T252 PolarHBondContact OD1-N 2.88Å; D250-T252 PolarHBondContact OD1-OG1 3.48Å; D250-T252 PolarHBondContact OD2-OG1 2.81Å; D250-T252 VanDerWaalsContact OD2-OG1 3.14Å
251R86.4Confident92.9Very high52 Ų5249.3 Ų49.320%0.19625%0.248CC..  trans59.220.5-176.7-54.1-68-68.9-169.2-6.4113.5D216 V218 L219 F247D216-R251 IonicContact OD1-NH2 3.57Å; D216-R251 IonicContact OD2-CZ 3.62Å; D216-R251 VanDerWaalsContact OD2-CZ 3.29Å; D216-R251 IonicContact OD2-NE 2.7Å; D216-R251 PolarHBondContact OD2-NE 2.8Å; D216-R251 IonicContact OD2-NH2 3.86Å; D216-R251 PolarHBondContact OD2-NH2 2.76Å; V218-R251 HydrophobicContact CB-CG 4.48Å; V218-R251 HydrophobicContact CG1-CG 4.12Å; L219-R251 HydrophobicContact CB-CB 4.12Å; L219-R251 HydrophobicContact CD1-CB 4.2Å; F247-R251 VanDerWaalsContact CZ-NH1 3.34Å; F247-R251 WeakPolarHBondContact O-CA 3.22Å; F247-R251 PolarHBondContact O-N 2.77Å
252T87.6Confident92.9Very high26 Ų2650 Ų5016%0.1625%0.251CS..  trans-83.6119.9175.3-58.20000111.3R211 D250 S254R211-T252 HydrophobicContact CB-CG2 4.49Å; D250-T252 PolarHBondContact O-N 3.45Å; D250-T252 WeakPolarHBondContact OD1-CA 3.15Å; D250-T252 WeakPolarHBondContact OD1-CB 3.34Å; D250-T252 PolarHBondContact OD1-N 2.88Å; D250-T252 PolarHBondContact OD1-OG1 3.48Å; D250-T252 PolarHBondContact OD2-OG1 2.81Å; D250-T252 VanDerWaalsContact OD2-OG1 3.14Å; T252-S254 PolarHBondContact O-N 3.29Å
253I95.5Very high92.9Very high6 Ų653.6 Ų53.63%0.03127%0.267CS..EExtended strand (participates in β ladder)trans-82.299172.7-55.8167.3000108.2R211 L212 L214 F238 V242 F247 F255 L264 M265R211-I253 CarbonylContact C-O 3.5Å; R211-I253 VanDerWaalsContact CA-O 3.28Å; R211-I253 WeakPolarHBondContact CA-O 3.48Å; L212-I253 HydrophobicContact CB-CB 4.11Å; L212-I253 HydrophobicContact CB-CG2 4.22Å; L212-I253 HydrophobicContact CD2-CD1 4.19Å; L212-I253 HydrophobicContact CG-CD1 4.49Å; L212-I253 PolarHBondContact N-O 3.25Å; L214-I253 HydrophobicContact CD1-CD1 3.81Å; L214-I253 HydrophobicContact CG-CD1 4.28Å; F238-I253 HydrophobicContact CE1-CD1 3.97Å; F238-I253 HydrophobicContact CE1-CG1 3.88Å; F238-I253 HydrophobicContact CE1-CG2 4.05Å; F238-I253 HydrophobicContact CZ-CD1 4.34Å; F238-I253 HydrophobicContact CZ-CG1 4.09Å; V242-I253 HydrophobicContact CG1-CG2 4.12Å; V242-I253 HydrophobicContact CG2-CG2 4.33Å; F247-I253 HydrophobicContact CD2-CG1 3.84Å; F247-I253 HydrophobicContact CE2-CG1 3.98Å; I253-F255 HydrophobicContact CG2-CD1 3.97Å; I253-F255 HydrophobicContact CG2-CE1 4.08Å; I253-L264 HydrophobicContact CG2-CD2 4.42Å; I253-M265 HydrophobicContact CD1-SD 3.78Å
254S96.8Very high93Very high0 Ų049.4 Ų49.40%025%0.251CS..EExtended strand (participates in β ladder)trans-117.3127.3-178.6178.10000110.6E209 L210 R243 R246 T252E209-S254 PolarHBondContact OE1-OG 2.84Å; L210-S254 WeakPolarHBondContact O-CA 3.33Å; R243-S254 PolarHBondContact N-O 3.14Å; R246-S254 PolarHBondContact NH1-OG 2.85Å; T252-S254 PolarHBondContact O-N 3.29Å
255F97.4Very high93.2Very high0 Ų044.5 Ų44.50%023%0.225CC..EExtended strand (participates in β ladder)trans-155.3159.8-173.258.6-79.8000112.8M200 L210 L212 C241 V242 I253 P257 F262 L264 L395M200-F255 HydrophobicContact CE-CE2 4.31Å; M200-F255 HydrophobicContact CE-CZ 4.1Å; M200-F255 HydrophobicContact SD-CE2 3.82Å; M200-F255 HydrophobicContact SD-CZ 3.63Å; L210-F255 HydrophobicContact CB-CD1 4.35Å; L210-F255 HydrophobicContact CB-CD2 4.14Å; L210-F255 HydrophobicContact CB-CE1 3.96Å; L210-F255 HydrophobicContact CB-CE2 3.73Å; L210-F255 HydrophobicContact CB-CG 4.43Å; L210-F255 HydrophobicContact CB-CZ 3.62Å; L210-F255 HydrophobicContact CD2-CE2 3.81Å; L210-F255 HydrophobicContact CD2-CZ 3.93Å; L210-F255 HydrophobicContact CG-CE2 4.42Å; L210-F255 HydrophobicContact CG-CZ 4.43Å; L210-F255 PolarHBondContact N-O 2.89Å; L210-F255 PolarHBondContact O-N 2.9Å; L212-F255 HydrophobicContact CB-CE1 4.11Å; C241-F255 HydrophobicContact CB-CB 4.3Å; C241-F255 WeakPolarHBondContact O-CA 3.41Å; C241-F255 WeakPolarHBondContact O-CB 3.44Å; V242-F255 HydrophobicContact CG2-CB 4.06Å; V242-F255 HydrophobicContact CG2-CG 4.45Å; I253-F255 HydrophobicContact CG2-CD1 3.97Å; I253-F255 HydrophobicContact CG2-CE1 4.08Å; F255-P257 HydrophobicContact CD2-CB 4.08Å; F255-P257 HydrophobicContact CE2-CB 3.97Å; F255-F262 HydrophobicContact CE2-CZ 4.25Å; F255-L264 HydrophobicContact CD1-CD1 3.87Å; F255-L264 HydrophobicContact CD1-CD2 4.46Å; F255-L264 HydrophobicContact CD2-CD1 3.75Å; F255-L264 HydrophobicContact CE1-CD1 3.83Å; F255-L264 HydrophobicContact CE1-CD2 3.7Å; F255-L264 HydrophobicContact CE1-CG 4.43Å; F255-L264 HydrophobicContact CE2-CD1 3.7Å; F255-L264 HydrophobicContact CE2-CD2 4.35Å; F255-L264 HydrophobicContact CG-CD1 3.84Å; F255-L264 HydrophobicContact CZ-CD1 3.75Å; F255-L264 HydrophobicContact CZ-CD2 3.63Å; F255-L264 HydrophobicContact CZ-CG 4.33Å; F255-L395 HydrophobicContact CZ-CD1 4.5Å
256I97.1Very high93.5Very high21 Ų2142 Ų4211%0.10821%0.208CC..  trans-104.7112.1164.5-64.4170.8000106.2V157 W159 M207 C241V157-I256 HydrophobicContact CG1-CG2 4.39Å; V157-I256 HydrophobicContact CG2-CD1 4.12Å; W159-I256 PolarHBondContact NE1-O 3.01Å; M207-I256 HydrophobicContact CE-CG2 4.22Å; C241-I256 VanDerWaalsContact CB-O 3.28Å; C241-I256 WeakPolarHBondContact CB-O 3.1Å
257P96.7Very high93.7Very high0 Ų037.9 Ų37.90%019%0.193CC..PPolyproline II helixtrans-71.5138.7-171.528-35.1000112.8R160 V202 P208 L210 F255 F262R160-P257 WeakPolarHBondContact CD-O 3.4Å; R160-P257 PolarHBondContact NH1-O 3.46Å; V202-P257 HydrophobicContact CB-CB 4.28Å; V202-P257 HydrophobicContact CG1-CB 3.99Å; V202-P257 HydrophobicContact CG1-CG 3.73Å; V202-P257 HydrophobicContact CG2-CB 3.83Å; V202-P257 HydrophobicContact CG2-CG 4.36Å; P208-P257 HydrophobicContact CG-CG 4.35Å; P208-P257 WeakPolarHBondContact O-CD 3.11Å; L210-P257 HydrophobicContact CD1-CG 3.98Å; L210-P257 HydrophobicContact CD2-CB 4.47Å; L210-P257 HydrophobicContact CD2-CG 3.96Å; L210-P257 HydrophobicContact CG-CG 4.48Å; F255-P257 HydrophobicContact CD2-CB 4.08Å; F255-P257 HydrophobicContact CE2-CB 3.97Å; P257-F262 HydrophobicContact CB-CE1 3.78Å; P257-F262 HydrophobicContact CB-CZ 3.76Å
258P95.5Very high93.9Very high7 Ų740.9 Ų40.95%0.04520%0.203CC..PPolyproline II helixtrans-51.4152.9157.8-20.630.2000111.1W159 F262W159-P258 HydrophobicContact CB-CG 4.11Å; W159-P258 HydrophobicContact CG-CG 4.07Å; W159-P258 WeakPolarHBondContact O-CA 3.41Å; P258-F262 HydrophobicContact CB-CD1 4.12Å; P258-F262 HydrophobicContact CB-CG 4.28Å; P258-F262 HydrophobicContact CG-CB 4.5Å; P258-F262 HydrophobicContact CG-CD1 4.18Å; P258-F262 HydrophobicContact CG-CD2 4.09Å; P258-F262 HydrophobicContact CG-CE1 4.45Å; P258-F262 HydrophobicContact CG-CE2 4.38Å; P258-F262 HydrophobicContact CG-CG 4Å
259D94.4Very high94.1Very high31 Ų3134.5 Ų34.517%0.16617%0.174CC..SBendtrans-78.6143.9178-156.159.9000112K129 R160 I164 Y166K129-D259 WeakPolarHBondContact CD-O 3.4Å; K129-D259 WeakPolarHBondContact CE-O 3.39Å; K129-D259 PolarHBondContact NZ-O 2.98Å; R160-D259 IonicContact CZ-OD1 2.81Å; R160-D259 IonicContact NH1-OD1 3.72Å; R160-D259 PolarHBondContact NH1-OD1 3.24Å; R160-D259 VanDerWaalsContact NH1-OD1 3.1Å; R160-D259 IonicContact NH2-OD1 3.81Å; I164-D259 HydrophobicContact CD1-CB 3.75Å; Y166-D259 WeakPolarHBondContact CE2-OD1 3.48Å; Y166-D259 PolarHBondContact OH-OD2 3.27Å
260G94.1Very high94.2Very high13 Ų1331.4 Ų31.413%0.13416%0.158CC..EExtended strand (participates in β ladder)trans76.7-144.5-17800000113.7R201 V202R201-G260 WeakPolarHBondContact CA-O 3.47Å; V202-G260 PolarHBondContact N-O 2.87Å; V202-G260 PolarHBondContact O-N 3.37Å
261E94.8Very high94Very high113 Ų11328.4 Ų28.453%0.52814%0.142SC..EExtended strand (participates in β ladder)trans-86.2133.2-175.6-171.5168.7171.600112.8K129 M200 R201K129-E261 PolarHBondContact NZ-O 3.08Å; M200-E261 CarbonylContact O-C 3.52Å; M200-E261 VanDerWaalsContact O-CA 3.29Å; M200-E261 WeakPolarHBondContact O-CA 3.25Å; R201-E261 HydrophobicContact CG-CB 4.07Å; R201-E261 HydrophobicContact CG-CG 3.98Å
262F95.9Very high93.3Very high20 Ų2035.1 Ų35.19%0.08818%0.175CC..EExtended strand (participates in β ladder)trans-158.7159.6170.372.1-77.7000111.2M200 V202 F255 P257 P258 L264M200-F262 HydrophobicContact CB-CD1 4.32Å; M200-F262 HydrophobicContact CB-CE1 3.81Å; M200-F262 HydrophobicContact CB-CZ 4Å; M200-F262 HydrophobicContact CG-CZ 4.42Å; M200-F262 PolarHBondContact N-O 2.86Å; M200-F262 PolarHBondContact O-N 2.94Å; M200-F262 HydrophobicContact SD-CZ 4.07Å; V202-F262 HydrophobicContact CG2-CE1 3.68Å; V202-F262 HydrophobicContact CG2-CZ 4.46Å; F255-F262 HydrophobicContact CE2-CZ 4.25Å; P257-F262 HydrophobicContact CB-CE1 3.78Å; P257-F262 HydrophobicContact CB-CZ 3.76Å; P258-F262 HydrophobicContact CB-CD1 4.12Å; P258-F262 HydrophobicContact CB-CG 4.28Å; P258-F262 HydrophobicContact CG-CB 4.5Å; P258-F262 HydrophobicContact CG-CD1 4.18Å; P258-F262 HydrophobicContact CG-CD2 4.09Å; P258-F262 HydrophobicContact CG-CE1 4.45Å; P258-F262 HydrophobicContact CG-CE2 4.38Å; P258-F262 HydrophobicContact CG-CG 4Å; F262-L264 HydrophobicContact CE2-CB 3.92Å; F262-L264 HydrophobicContact CE2-CD1 3.97Å; F262-L264 HydrophobicContact CZ-CD1 4.43Å
263E96.8Very high92.6Very high82 Ų8237.9 Ų37.938%0.38319%0.192SC..EExtended strand (participates in β ladder)trans-85.8118.2169.3-180170.9-167.500110S197 K199 H239 S266S197-E263 VanDerWaalsContact CB-OE1 3.32Å; S197-E263 WeakPolarHBondContact CB-OE1 3.16Å; S197-E263 WeakPolarHBondContact OG-CG 3.41Å; S197-E263 PolarHBondContact OG-OE1 2.82Å; K199-E263 HydrophobicContact CG-CB 4.48Å; H239-E263 WeakPolarHBondContact CB-O 3.45Å; H239-E263 PolarHBondContact CD2-O 3.47Å; E263-S266 WeakPolarHBondContact OE1-CB 3.48Å
264L97.3Very high92.1Very high0 Ų044.9 Ų44.90%022%0.222CC..EExtended strand (participates in β ladder)trans-77.1-45.6179.2173.967.9000111.6I198 M200 L212 H239 V242 I253 F255 F262I198-L264 PolarHBondContact O-N 3.37Å; M200-L264 HydrophobicContact CG-CB 4.02Å; M200-L264 HydrophobicContact SD-CB 3.91Å; M200-L264 HydrophobicContact SD-CD1 4.47Å; M200-L264 HydrophobicContact SD-CD2 3.61Å; M200-L264 HydrophobicContact SD-CG 4.19Å; L212-L264 HydrophobicContact CD2-CD2 3.64Å; H239-L264 WeakPolarHBondContact CB-O 3.46Å; H239-L264 PolarHBondContact N-O 3.06Å; V242-L264 HydrophobicContact CG2-CD1 3.66Å; I253-L264 HydrophobicContact CG2-CD2 4.42Å; F255-L264 HydrophobicContact CD1-CD1 3.87Å; F255-L264 HydrophobicContact CD1-CD2 4.46Å; F255-L264 HydrophobicContact CD2-CD1 3.75Å; F255-L264 HydrophobicContact CE1-CD1 3.83Å; F255-L264 HydrophobicContact CE1-CD2 3.7Å; F255-L264 HydrophobicContact CE1-CG 4.43Å; F255-L264 HydrophobicContact CE2-CD1 3.7Å; F255-L264 HydrophobicContact CE2-CD2 4.35Å; F255-L264 HydrophobicContact CG-CD1 3.84Å; F255-L264 HydrophobicContact CZ-CD1 3.75Å; F255-L264 HydrophobicContact CZ-CD2 3.63Å; F255-L264 HydrophobicContact CZ-CG 4.33Å; F262-L264 HydrophobicContact CE2-CB 3.92Å; F262-L264 HydrophobicContact CE2-CD1 3.97Å; F262-L264 HydrophobicContact CZ-CD1 4.43Å
265M96.9Very high91.8Very high2 Ų245.5 Ų45.51%0.0123%0.226CC..EExtended strand (participates in β ladder)trans-155.8147.9-177.760.1178.3-79.900111.5S197 I198 L214 V236 K237 F238 I253 Y267S197-M265 WeakPolarHBondContact CA-O 3.25Å; I198-M265 HydrophobicContact CB-CG 3.86Å; I198-M265 HydrophobicContact CD1-CE 4.38Å; I198-M265 HydrophobicContact CD1-CG 3.88Å; I198-M265 HydrophobicContact CD1-SD 3.75Å; I198-M265 HydrophobicContact CG1-CG 3.91Å; I198-M265 HydrophobicContact CG1-SD 4.42Å; I198-M265 PolarHBondContact N-O 3.36Å; L214-M265 HydrophobicContact CD1-CE 4.06Å; L214-M265 HydrophobicContact CD1-SD 4.05Å; V236-M265 HydrophobicContact CG1-CB 4.47Å; V236-M265 HydrophobicContact CG1-CE 3.54Å; K237-M265 CarbonylContact O-C 3.57Å; K237-M265 WeakPolarHBondContact O-CA 3.46Å; K237-M265 WeakPolarHBondContact O-CB 3.1Å; F238-M265 HydrophobicContact CD1-CB 3.68Å; F238-M265 HydrophobicContact CD1-SD 4.5Å; F238-M265 HydrophobicContact CE1-CB 3.95Å; F238-M265 HydrophobicContact CE1-CE 4.41Å; F238-M265 HydrophobicContact CE1-SD 3.85Å; I253-M265 HydrophobicContact CD1-SD 3.78Å; M265-Y267 HydrophobicContact CE-CD1 3.88Å; M265-Y267 HydrophobicContact CE-CG 4.35Å
266S97.3Very high91.7Very high36 Ų3645.8 Ų45.825%0.25223%0.228SC..EExtended strand (participates in β ladder)trans-111.4145.916146.90000109.5G196 V236 K237 E263G196-S266 CarbonylContact O-C 3.57Å; G196-S266 VanDerWaalsContact O-CA 3.23Å; G196-S266 WeakPolarHBondContact O-CA 3.46Å; V236-S266 CarbonylContact C-O 3.54Å; V236-S266 WeakPolarHBondContact CA-O 3.09Å; K237-S266 PolarHBondContact N-O 3.18Å; K237-S266 PolarHBondContact O-N 3.38Å; E263-S266 WeakPolarHBondContact OE1-CB 3.48Å
267Y95.9Very high91.7Very high3 Ų344.8 Ų44.81%0.01222%0.223CC..EExtended strand (participates in β ladder)trans-135.9148.6178.460.2-86.9000110.1E177 G196 I198 L233 D235 M265 L269 I390E177-Y267 VanDerWaalsContact CG-OH 3.27Å; E177-Y267 WeakPolarHBondContact CG-OH 3.39Å; E177-Y267 PolarHBondContact OE1-OH 3.05Å; G196-Y267 VanDerWaalsContact CA-CZ 3.44Å; G196-Y267 PolarHBondContact N-O 3.5Å; G196-Y267 PolarHBondContact O-N 2.85Å; I198-Y267 HydrophobicContact CG1-CE1 4.04Å; L233-Y267 HydrophobicContact CD2-CD2 3.67Å; L233-Y267 HydrophobicContact CD2-CE2 4.39Å; L233-Y267 HydrophobicContact CD2-CG 4.05Å; D235-Y267 CarbonylContact O-C 3.54Å; D235-Y267 VanDerWaalsContact O-CA 3.27Å; D235-Y267 WeakPolarHBondContact O-CA 3.22Å; M265-Y267 HydrophobicContact CE-CD1 3.88Å; M265-Y267 HydrophobicContact CE-CG 4.35Å; Y267-L269 HydrophobicContact CD2-CD2 3.76Å; Y267-L269 HydrophobicContact CE2-CD2 3.83Å; Y267-I390 HydrophobicContact CD1-CD1 4.34Å; Y267-I390 HydrophobicContact CD2-CD1 4.49Å; Y267-I390 HydrophobicContact CE1-CD1 3.81Å; Y267-I390 HydrophobicContact CE2-CD1 3.96Å
268R95.5Very high91.6Very high79 Ų7946.6 Ų46.630%0.29823%0.229SC..EExtended strand (participates in β ladder)trans-124.4138.5176.7-165.8178.967.775.718.7109.1E193 I194 V195 E234 D235E193-R268 IonicContact OE2-NH1 3.76Å; I194-R268 WeakPolarHBondContact O-CA 3.48Å; V195-R268 HydrophobicContact CG2-CG 4.34Å; E234-R268 WeakPolarHBondContact CB-O 3.34Å; E234-R268 PolarHBondContact N-O 2.96Å; E234-R268 IonicContact OE2-CZ 2.68Å; E234-R268 IonicContact OE2-NH1 3.59Å; E234-R268 PolarHBondContact OE2-NH1 3.21Å; E234-R268 IonicContact OE2-NH2 3.32Å; E234-R268 PolarHBondContact OE2-NH2 2.83Å; D235-R268 HydrophobicContact CB-CB 4.39Å; D235-R268 PolarHBondContact N-O 3.41Å; D235-R268 PolarHBondContact O-N 3.17Å
269L93.7Very high91.6Very high15 Ų1546.7 Ų46.78%0.07923%0.229CC..EExtended strand (participates in β ladder)trans-144.814916866.2145.8000110.2E193 I194 V231 E232 Y267E193-L269 WeakPolarHBondContact CA-O 3.42Å; I194-L269 HydrophobicContact CB-CD2 3.98Å; I194-L269 HydrophobicContact CB-CG 4.14Å; I194-L269 HydrophobicContact CD1-CD1 4.41Å; I194-L269 HydrophobicContact CD1-CG 4.49Å; I194-L269 HydrophobicContact CG2-CD2 4.18Å; I194-L269 PolarHBondContact N-O 3.5Å; I194-L269 PolarHBondContact O-N 2.86Å; V231-L269 HydrophobicContact CG2-CD1 4.1Å; E232-L269 WeakPolarHBondContact O-CB 3.47Å; Y267-L269 HydrophobicContact CD2-CD2 3.76Å; Y267-L269 HydrophobicContact CE2-CD2 3.83Å
270N89.6Confident91.6Very high73 Ų7348.7 Ų48.739%0.3924%0.238SC..EExtended strand (participates in β ladder)trans-79.5144.9168.3-71-37.1000110.1E234E234-N270 VanDerWaalsContact CD-ND2 3.32Å; E234-N270 VanDerWaalsContact OE1-CB 3.26Å; E234-N270 WeakPolarHBondContact OE1-CB 3.43Å; E234-N270 PolarHBondContact OE1-N 3.33Å; E234-N270 PolarHBondContact OE1-ND2 3.37Å; E234-N270 PolarHBondContact OE2-ND2 2.86Å
271T79.4Confident91.5Very high17 Ų1749.9 Ų49.910%0.10424%0.244CC..  trans-119.9129176.9-170.30000110.5S192 I194 V273S192-T271 PolarHBondContact O-N 3.42Å; S192-T271 WeakPolarHBondContact OG-CG2 3.48Å; I194-T271 HydrophobicContact CD1-CG2 4.07Å; I194-T271 HydrophobicContact CG1-CG2 3.97Å; T271-V273 VanDerWaalsContact C-N 3.27Å; T271-V273 WeakPolarHBondContact OG1-CB 3.48Å; T271-V273 VanDerWaalsContact OG1-CG2 3.28Å; T271-V273 WeakPolarHBondContact OG1-CG2 3.29Å; T271-V273 PolarHBondContact OG1-N 3.17Å
272H71Confident91.4Very high194 Ų19448.4 Ų48.490%0.89824%0.243SC*.  trans-92.610.4169.6-59.4-66.5000111.8
273V73.5Confident91.2Very high83 Ų8350.2 Ų50.250%0.50325%0.252SS..SBendtrans-78.4147.3-178.4-1740000109.6T271T271-V273 VanDerWaalsContact C-N 3.27Å; T271-V273 WeakPolarHBondContact OG1-CB 3.48Å; T271-V273 VanDerWaalsContact OG1-CG2 3.28Å; T271-V273 WeakPolarHBondContact OG1-CG2 3.29Å; T271-V273 PolarHBondContact OG1-N 3.17Å
274K85.2Confident91Very high153 Ų15350.9 Ų50.967%0.66526%0.256SS*.PPolyproline II helixtrans-58143.4174.3-62-175.4178.2-178.40110.8L276 Q300K274-L276 PolarHBondContact O-N 3.37Å; K274-Q300 VanDerWaalsContact CB-OE1 3.31Å
275P90.7Very high90.7Very high13 Ų1357.1 Ų57.18%0.08428%0.283CS..PPolyproline II helixtrans-51.6133.7176.8-32.340.5000113.1L181 V189 I277 W278 Q300 Y418L181-P275 HydrophobicContact CD1-CB 4.43Å; L181-P275 HydrophobicContact CD1-CG 3.84Å; L181-P275 HydrophobicContact CD2-CB 3.64Å; L181-P275 HydrophobicContact CD2-CG 3.77Å; L181-P275 HydrophobicContact CG-CG 4.48Å; V189-P275 HydrophobicContact CG2-CG 4.06Å; P275-I277 VanDerWaalsContact C-N 3.34Å; P275-I277 PolarHBondContact O-N 2.91Å; P275-W278 HydrophobicContact CB-CE3 3.97Å; P275-W278 HydrophobicContact CG-CE3 3.74Å; P275-W278 HydrophobicContact CG-CZ3 3.91Å; P275-Q300 WeakPolarHBondContact O-CB 2.97Å; P275-Q300 PolarHBondContact O-OE1 3.2Å; P275-Y418 WeakPolarHBondContact CB-OH 3.49Å
276L94.5Very high90.4Very high7 Ų760.8 Ų60.84%0.03730%0.3CS..SBendtrans-61.1-42-177-62.8174.8000112.3V179 K274 S299 Q300 F301 F380 I382 F385 T387 T413V179-L276 HydrophobicContact CG2-CD1 3.95Å; K274-L276 PolarHBondContact O-N 3.37Å; L276-S299 CarbonylContact O-C 3.6Å; L276-Q300 PolarHBondContact O-N 2.84Å; L276-F301 HydrophobicContact CB-CD1 4.08Å; L276-F301 HydrophobicContact CD2-CB 4.04Å; L276-F301 VanDerWaalsContact O-CD1 3.24Å; L276-F301 WeakPolarHBondContact O-CD1 3.45Å; L276-F380 HydrophobicContact CD1-CE2 3.83Å; L276-F380 HydrophobicContact CD1-CZ 4Å; L276-I382 HydrophobicContact CD1-CD1 4.11Å; L276-F385 HydrophobicContact CD2-CE1 3.9Å; L276-F385 HydrophobicContact CD2-CZ 4.31Å; L276-T387 HydrophobicContact CD2-CG2 4.29Å; L276-T413 HydrophobicContact CD1-CG2 3.69Å
277I96.3Very high89.9Confident0 Ų062.7 Ų62.70%031%0.313CS..EExtended strand (participates in β ladder)trans-124.2106.8175.2-60.3179.5000108P275 I279 K298 F301 A307 V310 F348 V378 F380 Y418P275-I277 VanDerWaalsContact C-N 3.34Å; P275-I277 PolarHBondContact O-N 2.91Å; I277-I279 HydrophobicContact CG2-CD1 3.81Å; I277-K298 WeakPolarHBondContact CA-O 3.48Å; I277-F301 HydrophobicContact CG1-CE1 4.05Å; I277-A307 HydrophobicContact CD1-CB 4.17Å; I277-V310 HydrophobicContact CD1-CG1 3.92Å; I277-V310 HydrophobicContact CD1-CG2 4.01Å; I277-F348 HydrophobicContact CG2-CE1 4.28Å; I277-V378 HydrophobicContact CD1-CG1 4.48Å; I277-V378 HydrophobicContact CG2-CG1 4.39Å; I277-F380 HydrophobicContact CD1-CB 3.7Å; I277-F380 HydrophobicContact CD1-CD1 3.97Å; I277-F380 HydrophobicContact CD1-CD2 4.46Å; I277-F380 HydrophobicContact CD1-CG 3.79Å; I277-Y418 VanDerWaalsContact C-OH 3.28Å; I277-Y418 PolarHBondContact N-OH 3.12Å; I277-Y418 WeakPolarHBondContact O-CE1 3.3Å; I277-Y418 PolarHBondContact O-OH 3.06Å
278W95.9Very high89.4Confident37 Ų3767 Ų6714%0.1433%0.333CS..EExtended strand (participates in β ladder)trans-91.3127.6179.1-177.1-104.6000110.3V183 G187 V189 P275 E280 A297 K298 Q300V183-W278 HydrophobicContact CG1-CH2 3.57Å; V183-W278 HydrophobicContact CG1-CZ3 3.91Å; V183-W278 HydrophobicContact CG2-CH2 4.34Å; V183-W278 HydrophobicContact CG2-CZ3 3.8Å; G187-W278 VanDerWaalsContact O-CH2 3.27Å; G187-W278 WeakPolarHBondContact O-CH2 3.36Å; V189-W278 HydrophobicContact CG2-CZ3 4.42Å; P275-W278 HydrophobicContact CB-CE3 3.97Å; P275-W278 HydrophobicContact CG-CE3 3.74Å; P275-W278 HydrophobicContact CG-CZ3 3.91Å; W278-E280 VanDerWaalsContact NE1-CG 3.26Å; W278-E280 PolarHBondContact NE1-OE1 2.79Å; W278-E280 VanDerWaalsContact NE1-OE1 3.12Å; W278-A297 WeakPolarHBondContact O-CA 3.33Å; W278-K298 HydrophobicContact CB-CB 4.24Å; W278-K298 PolarHBondContact N-O 2.89Å; W278-K298 PolarHBondContact O-N 3.11Å; W278-Q300 HydrophobicContact CB-CG 4.34Å
279I95.8Very high89.2Confident9 Ų966.5 Ų66.55%0.04634%0.342CS..EExtended strand (participates in β ladder)trans-110.2124.1177.2-50.9-59.1000108.8I277 I295 A297 I312 I376 V378 L420I277-I279 HydrophobicContact CG2-CD1 3.81Å; I279-I295 HydrophobicContact CG2-CG2 3.64Å; I279-A297 HydrophobicContact CD1-CB 3.57Å; I279-I312 HydrophobicContact CD1-CD1 3.73Å; I279-I312 HydrophobicContact CD1-CG1 4.11Å; I279-I312 HydrophobicContact CD1-CG2 4.3Å; I279-I312 HydrophobicContact CG1-CG2 4.49Å; I279-I376 HydrophobicContact CG2-CD1 4.37Å; I279-I376 HydrophobicContact CG2-CG2 4.39Å; I279-V378 HydrophobicContact CD1-CG2 4.25Å; I279-V378 HydrophobicContact CG1-CG2 3.73Å; I279-L420 HydrophobicContact CB-CD1 4.43Å; I279-L420 HydrophobicContact CB-CD2 4.05Å; I279-L420 HydrophobicContact CG1-CD1 4.24Å
280E93.8Very high89.2Confident74 Ų7470.1 Ų70.135%0.34635%0.354SS..EExtended strand (participates in β ladder)trans-106.8120168.2-70166.8-175.100107.4W278 I295 K296 K298W278-E280 VanDerWaalsContact NE1-CG 3.26Å; W278-E280 PolarHBondContact NE1-OE1 2.79Å; W278-E280 VanDerWaalsContact NE1-OE1 3.12Å; E280-I295 CarbonylContact O-C 3.58Å; E280-I295 WeakPolarHBondContact O-CA 3.43Å; E280-K296 HydrophobicContact CB-CB 4.3Å; E280-K296 PolarHBondContact N-O 2.64Å; E280-K296 PolarHBondContact O-N 2.88Å; E280-K296 WeakPolarHBondContact OE2-CE 3.37Å; E280-K298 IonicContact OE1-NZ 3.03Å; E280-K298 PolarHBondContact OE1-NZ 3.37Å; E280-K298 IonicContact OE2-NZ 3.64Å; E280-K298 PolarHBondContact OE2-NZ 2.85Å
281S92.3Very high89.4Confident38 Ų3866.9 Ų66.927%0.26634%0.337SS..EExtended strand (participates in β ladder)trans-120126.5176.860.50000110.1
282V92.6Very high90.1Very high82 Ų8266.7 Ų66.750%0.49734%0.335SS..EExtended strand (participates in β ladder)trans-111.3125.9167.9-178.40000107.4E284 M294V282-E284 HydrophobicContact CG1-CG 4.48Å; V282-M294 HydrophobicContact CB-CB 4.48Å; V282-M294 PolarHBondContact N-O 3.18Å; V282-M294 PolarHBondContact O-N 3.4Å
283I92Very high91.3Very high57 Ų5757.9 Ų57.929%0.29229%0.294SS..EExtended strand (participates in β ladder)trans-113.8117.3-178.2-54.3176.8000107.7I291 Y293 T422I283-I291 HydrophobicContact CG2-CD1 3.78Å; I283-I291 HydrophobicContact CG2-CG1 3.95Å; I283-Y293 HydrophobicContact CD1-CD1 4.23Å; I283-Y293 HydrophobicContact CD1-CE1 3.79Å; I283-Y293 HydrophobicContact CG1-CD1 3.81Å; I283-Y293 HydrophobicContact CG1-CE1 3.83Å; I283-Y293 HydrophobicContact CG2-CD1 4.42Å; I283-Y293 HydrophobicContact CG2-CE1 4.07Å; I283-T422 HydrophobicContact CD1-CG2 4.45Å
284E93Very high92.4Very high96 Ų9658.2 Ų58.245%0.44929%0.291SS..EExtended strand (participates in β ladder)trans-107.697.2175.6-68.3178.7-169.400108.3V282 E292V282-E284 HydrophobicContact CG1-CG 4.48Å; E284-E292 HydrophobicContact CB-CB 4.37Å; E284-E292 PolarHBondContact N-O 3.37Å; E284-E292 PolarHBondContact O-N 3.21Å
285K90.4Very high92.9Very high131 Ų13150.9 Ų50.957%0.5726%0.259SS*.EExtended strand (participates in β ladder)trans-93.1119.2177.2-173.4176-179.5175.30109.9I291 L362K285-I291 HydrophobicContact CB-CD1 4.19Å; K285-I291 HydrophobicContact CB-CG1 4.24Å; K285-I291 HydrophobicContact CD-CD1 4.45Å; K285-I291 HydrophobicContact CG-CD1 4.24Å; K285-I291 HydrophobicContact CG-CG1 4.49Å; K285-L362 HydrophobicContact CD-CD1 4.46Å; K285-L362 HydrophobicContact CG-CD1 4.04Å
286H90.7Very high93.2Very high80 Ų8052.8 Ų52.837%0.3727%0.266SS..EExtended strand (participates in β ladder)trans-101.6103.8167.5-62.4-89.4000108.3H288 S289 R290H286-H288 PolarHBondContact O-N 3.27Å; H286-S289 PolarHBondContact O-N 3.29Å; H286-S289 VanDerWaalsContact O-N 3.16Å; H286-R290 CarbonylContact C-O 3.48Å; H286-R290 WeakPolarHBondContact CA-O 3.46Å; H286-R290 HydrophobicContact CB-CG 3.99Å; H286-R290 WeakPolarHBondContact CB-O 3.22Å; H286-R290 PolarHBondContact N-O 3Å; H286-R290 PolarHBondContact O-N 3.16Å; H286-R290 VanDerWaalsContact O-N 3.11Å; H286-R290 VanDerWaalsContact O-O 3.05Å
287S85.8Confident93.3Very high75 Ų7552.5 Ų52.552%0.52426%0.264SS..THydrogen-bonded Turntrans-50.7139179.9-57.40000111.5S289S287-S289 PolarHBondContact O-N 2.99Å
288H86.4Confident93.3Very high94 Ų9454.7 Ų54.744%0.43527%0.274SS..THydrogen-bonded Turntrans6018.9179.8-46.8-80.6000115.9H286 P363 S364 E366H286-H288 PolarHBondContact O-N 3.27Å; H288-P363 WeakPolarHBondContact CA-O 3.22Å; H288-S364 PolarHBondContact ND1-O 3.02Å; H288-E366 VanDerWaalsContact CE1-CG 3.42Å; H288-E366 WeakPolarHBondContact CE1-CG 3.45Å; H288-E366 IonicContact CE1-OE1 2.76Å; H288-E366 IonicContact NE2-OE1 3.94Å; H288-E366 PolarHBondContact NE2-OE1 3.32Å
289S91.8Very high93.3Very high69 Ų6953.1 Ų53.148%0.48327%0.269SS..THydrogen-bonded Turntrans-142.1-65.6-176.1-178.90000113.3H286 S287 L362H286-S289 PolarHBondContact O-N 3.29Å; H286-S289 VanDerWaalsContact O-N 3.16Å; S287-S289 PolarHBondContact O-N 2.99Å; S289-L362 PolarHBondContact O-N 3.2Å
290R92.2Very high93.3Very high91 Ų9156.5 Ų56.534%0.34328%0.284SS..EExtended strand (participates in β ladder)trans-163.1160.5-170.859.8176.5-179.8171.28.3112.3H286 E292 H359 F360H286-R290 CarbonylContact C-O 3.48Å; H286-R290 WeakPolarHBondContact CA-O 3.46Å; H286-R290 HydrophobicContact CB-CG 3.99Å; H286-R290 WeakPolarHBondContact CB-O 3.22Å; H286-R290 PolarHBondContact N-O 3Å; H286-R290 PolarHBondContact O-N 3.16Å; H286-R290 VanDerWaalsContact O-N 3.11Å; H286-R290 VanDerWaalsContact O-O 3.05Å; R290-E292 IonicContact CZ-OE1 2.83Å; R290-E292 VanDerWaalsContact CZ-OE1 3.22Å; R290-E292 IonicContact NE-OE1 3.68Å; R290-E292 IonicContact NH1-OE1 2.71Å; R290-E292 PolarHBondContact NH1-OE1 3.03Å; R290-E292 IonicContact NH2-OE1 3.78Å; R290-H359 WeakPolarHBondContact CD-NE2 3.38Å; R290-F360 CarbonylContact C-O 3.51Å; R290-F360 WeakPolarHBondContact CA-O 3.34Å; R290-F360 WeakPolarHBondContact CB-O 3.49Å
291I93.8Very high93.3Very high5 Ų553.7 Ų53.73%0.02627%0.271CS..EExtended strand (participates in β ladder)trans-130.5131.8170.5-172.3166.8000109.7I283 K285 Y293 P317 F360 L362I283-I291 HydrophobicContact CG2-CD1 3.78Å; I283-I291 HydrophobicContact CG2-CG1 3.95Å; K285-I291 HydrophobicContact CB-CD1 4.19Å; K285-I291 HydrophobicContact CB-CG1 4.24Å; K285-I291 HydrophobicContact CD-CD1 4.45Å; K285-I291 HydrophobicContact CG-CD1 4.24Å; K285-I291 HydrophobicContact CG-CG1 4.49Å; I291-Y293 HydrophobicContact CB-CE2 4.44Å; I291-Y293 HydrophobicContact CD1-CE2 3.87Å; I291-Y293 WeakPolarHBondContact CD1-OH 3.29Å; I291-Y293 HydrophobicContact CG1-CD2 4.37Å; I291-Y293 HydrophobicContact CG1-CE2 3.72Å; I291-Y293 HydrophobicContact CG2-CE2 3.98Å; I291-P317 HydrophobicContact CD1-CG 4.05Å; I291-F360 HydrophobicContact CG2-CB 3.66Å; I291-F360 HydrophobicContact CG2-CG 4.47Å; I291-F360 PolarHBondContact N-O 3.35Å; I291-F360 PolarHBondContact O-N 3.13Å; I291-L362 HydrophobicContact CB-CD1 4.06Å; I291-L362 HydrophobicContact CB-CG 4.33Å; I291-L362 HydrophobicContact CG2-CD1 4.38Å; I291-L362 HydrophobicContact CG2-CD2 4.16Å; I291-L362 HydrophobicContact CG2-CG 4.15Å
292E95.3Very high93.4Very high13 Ų1357.3 Ų57.36%0.06128%0.282CS..EExtended strand (participates in β ladder)trans-115.7133.8178.4-60.4-167-170.700110.3E284 R290 R357 A358 H359E284-E292 HydrophobicContact CB-CB 4.37Å; E284-E292 PolarHBondContact N-O 3.37Å; E284-E292 PolarHBondContact O-N 3.21Å; R290-E292 IonicContact CZ-OE1 2.83Å; R290-E292 VanDerWaalsContact CZ-OE1 3.22Å; R290-E292 IonicContact NE-OE1 3.68Å; R290-E292 IonicContact NH1-OE1 2.71Å; R290-E292 PolarHBondContact NH1-OE1 3.03Å; R290-E292 IonicContact NH2-OE1 3.78Å; E292-R357 IonicContact OE1-NH2 3.28Å; E292-R357 IonicContact OE2-CZ 3.63Å; E292-R357 IonicContact OE2-NE 2.73Å; E292-R357 PolarHBondContact OE2-NE 2.86Å; E292-R357 IonicContact OE2-NH2 3.41Å; E292-R357 PolarHBondContact OE2-NH2 3.19Å; E292-A358 CarbonylContact C-O 3.59Å; E292-A358 WeakPolarHBondContact CA-O 3.14Å; E292-H359 HydrophobicContact CG-CB 4.47Å; E292-H359 IonicContact OE1-CD2 3.41Å; E292-H359 PolarHBondContact OE1-CD2 2.91Å
293Y95.6Very high93.5Very high9 Ų963.6 Ų63.64%0.03530%0.297CS..EExtended strand (participates in β ladder)trans-113.1124.7175.1-65.5-98.7000108.8I283 I291 I295 I314 P315 V316 P317 R357 A358 F360I283-Y293 HydrophobicContact CD1-CD1 4.23Å; I283-Y293 HydrophobicContact CD1-CE1 3.79Å; I283-Y293 HydrophobicContact CG1-CD1 3.81Å; I283-Y293 HydrophobicContact CG1-CE1 3.83Å; I283-Y293 HydrophobicContact CG2-CD1 4.42Å; I283-Y293 HydrophobicContact CG2-CE1 4.07Å; I291-Y293 HydrophobicContact CB-CE2 4.44Å; I291-Y293 HydrophobicContact CD1-CE2 3.87Å; I291-Y293 WeakPolarHBondContact CD1-OH 3.29Å; I291-Y293 HydrophobicContact CG1-CD2 4.37Å; I291-Y293 HydrophobicContact CG1-CE2 3.72Å; I291-Y293 HydrophobicContact CG2-CE2 3.98Å; Y293-I295 HydrophobicContact CD1-CD1 4.49Å; Y293-I314 HydrophobicContact CD1-CG2 4.09Å; Y293-I314 HydrophobicContact CE1-CG2 4.14Å; Y293-P315 PolarHBondContact OH-O 3.46Å; Y293-V316 HydrophobicContact CE2-CG1 3.97Å; Y293-P317 WeakPolarHBondContact OH-CD 3.37Å; Y293-R357 CarbonylContact O-C 3.59Å; Y293-R357 VanDerWaalsContact O-CA 3.24Å; Y293-R357 WeakPolarHBondContact O-CA 3.47Å; Y293-A358 HydrophobicContact CD2-CB 4.41Å; Y293-A358 PolarHBondContact N-O 2.75Å; Y293-A358 PolarHBondContact O-N 2.92Å; Y293-F360 HydrophobicContact CD2-CD2 4.32Å; Y293-F360 HydrophobicContact CE2-CD2 4.28Å
294M95.7Very high93.6Very high89 Ų8970.5 Ų70.544%0.43832%0.319SS..EExtended strand (participates in β ladder)trans-113.3109.8168-169.9176.6-57.400108.8V282V282-M294 HydrophobicContact CB-CB 4.48Å; V282-M294 PolarHBondContact N-O 3.18Å; V282-M294 PolarHBondContact O-N 3.4Å
295I96.1Very high93.7Very high0 Ų066.6 Ų66.60%030%0.302CS..EExtended strand (participates in β ladder)trans-120.7129.7-171.2-50.5-169.5000109.6I279 E280 Y293 I314 W343 L355 M356I279-I295 HydrophobicContact CG2-CG2 3.64Å; E280-I295 CarbonylContact O-C 3.58Å; E280-I295 WeakPolarHBondContact O-CA 3.43Å; Y293-I295 HydrophobicContact CD1-CD1 4.49Å; I295-I314 HydrophobicContact CD1-CB 4.11Å; I295-I314 HydrophobicContact CD1-CD1 3.38Å; I295-I314 HydrophobicContact CD1-CG1 3.49Å; I295-I314 VanDerWaalsContact CD1-CG1 3.49Å; I295-I314 HydrophobicContact CD1-CG2 3.72Å; I295-W343 HydrophobicContact CG2-CZ3 4.43Å; I295-L355 CarbonylContact O-C 3.6Å; I295-L355 WeakPolarHBondContact O-CA 3.4Å; I295-M356 HydrophobicContact CB-CE 4.06Å; I295-M356 HydrophobicContact CD1-CE 3.51Å; I295-M356 HydrophobicContact CG1-CE 3.93Å; I295-M356 PolarHBondContact N-O 3.27Å; I295-M356 PolarHBondContact O-N 2.81Å
296K96.6Very high94.1Very high53 Ų5362.3 Ų62.323%0.2329%0.287CS..EExtended strand (participates in β ladder)trans-124.6117.2-178.3172.4164.3145.9151.10109E280 K298 E353 Y354 L355E280-K296 HydrophobicContact CB-CB 4.3Å; E280-K296 PolarHBondContact N-O 2.64Å; E280-K296 PolarHBondContact O-N 2.88Å; E280-K296 WeakPolarHBondContact OE2-CE 3.37Å; K296-K298 VanDerWaalsContact CE-NZ 3.25Å; K296-K298 HydrophobicContact CG-CG 4.44Å; K296-E353 HydrophobicContact CD-CG 4.18Å; K296-E353 VanDerWaalsContact CD-OE1 3.24Å; K296-E353 WeakPolarHBondContact CD-OE1 3.36Å; K296-E353 WeakPolarHBondContact CE-OE1 3.49Å; K296-E353 WeakPolarHBondContact CE-OE2 3.12Å; K296-E353 HydrophobicContact CG-CG 3.86Å; K296-E353 IonicContact NZ-OE1 3.22Å; K296-E353 PolarHBondContact NZ-OE1 3.23Å; K296-E353 IonicContact NZ-OE2 3.51Å; K296-E353 PolarHBondContact NZ-OE2 2.92Å; K296-Y354 WeakPolarHBondContact CA-O 3.32Å; K296-L355 HydrophobicContact CB-CG 4.4Å; K296-L355 HydrophobicContact CD-CD2 4.39Å; K296-L355 HydrophobicContact CD-CG 4.45Å; K296-L355 HydrophobicContact CG-CG 4.4Å
297A97.3Very high94.4Very high0 Ų058.5 Ų58.50%027%0.269CS..EExtended strand (participates in β ladder)trans-103125.8178.100000109.6W278 I279 I312 W343 F348 E353 Y354W278-A297 WeakPolarHBondContact O-CA 3.33Å; I279-A297 HydrophobicContact CD1-CB 3.57Å; A297-I312 HydrophobicContact CB-CD1 3.79Å; A297-W343 HydrophobicContact CB-CH2 3.88Å; A297-W343 HydrophobicContact CB-CZ3 3.6Å; A297-F348 HydrophobicContact CB-CE1 3.89Å; A297-F348 HydrophobicContact CB-CZ 4.1Å; A297-E353 VanDerWaalsContact O-CA 3.32Å; A297-E353 WeakPolarHBondContact O-CA 3.48Å; A297-Y354 PolarHBondContact N-O 2.66Å; A297-Y354 PolarHBondContact O-N 3.22Å
298K96.8Very high94.9Very high47 Ų4757.4 Ų57.420%0.20426%0.258CS..EExtended strand (participates in β ladder)trans-119.4120.9-179.1-74.5160.5153.4154.90109.7I277 W278 E280 K296 E353I277-K298 WeakPolarHBondContact CA-O 3.48Å; W278-K298 HydrophobicContact CB-CB 4.24Å; W278-K298 PolarHBondContact N-O 2.89Å; W278-K298 PolarHBondContact O-N 3.11Å; E280-K298 IonicContact OE1-NZ 3.03Å; E280-K298 PolarHBondContact OE1-NZ 3.37Å; E280-K298 IonicContact OE2-NZ 3.64Å; E280-K298 PolarHBondContact OE2-NZ 2.85Å; K296-K298 VanDerWaalsContact CE-NZ 3.25Å; K296-K298 HydrophobicContact CG-CG 4.44Å; K298-E353 WeakPolarHBondContact CE-OE2 3.08Å; K298-E353 HydrophobicContact CG-CB 4.23Å; K298-E353 HydrophobicContact CG-CG 3.76Å
299S96.7Very high95.4Very high4 Ų457.9 Ų57.93%0.02826%0.264CS..EExtended strand (participates in β ladder)trans-86.5115.1173.358.20000110.8L276 F348 P349 G350 G351 K352L276-S299 CarbonylContact O-C 3.6Å; S299-F348 WeakPolarHBondContact OG-CE2 3.3Å; S299-P349 PolarHBondContact OG-O 2.99Å; S299-G350 WeakPolarHBondContact OG-CA 3.24Å; S299-G351 VanDerWaalsContact O-CA 3.23Å; S299-G351 WeakPolarHBondContact O-CA 3.21Å; S299-G351 PolarHBondContact O-N 3.19Å; S299-G351 PolarHBondContact OG-N 2.99Å; S299-G351 VanDerWaalsContact OG-N 3.09Å; S299-K352 PolarHBondContact N-O 3.28Å; S299-K352 PolarHBondContact OG-N 3.4Å; S299-K352 PolarHBondContact OG-O 3.18Å; S299-K352 VanDerWaalsContact OG-O 3.14Å
300Q94.8Very high95.7Very high79 Ų7954.6 Ų54.637%0.36924%0.241SC..  trans-105.730-174.6-52.9-173.5-18.400113.4K274 P275 L276 W278K274-Q300 VanDerWaalsContact CB-OE1 3.31Å; P275-Q300 WeakPolarHBondContact O-CB 2.97Å; P275-Q300 PolarHBondContact O-OE1 3.2Å; L276-Q300 PolarHBondContact O-N 2.84Å; W278-Q300 HydrophobicContact CB-CG 4.34Å
301F94.3Very high96Very high16 Ų1652.9 Ų52.97%0.0724%0.237CC..SBendtrans-111.4177.6172.652.6-93.4000112L276 I277 R303 S305 A307 F348 G350 I382 F385L276-F301 HydrophobicContact CB-CD1 4.08Å; L276-F301 HydrophobicContact CD2-CB 4.04Å; L276-F301 VanDerWaalsContact O-CD1 3.24Å; L276-F301 WeakPolarHBondContact O-CD1 3.45Å; I277-F301 HydrophobicContact CG1-CE1 4.05Å; F301-R303 PolarHBondContact O-N 2.87Å; F301-S305 WeakPolarHBondContact CE2-O 3.38Å; F301-A307 HydrophobicContact CE1-CB 4.24Å; F301-A307 HydrophobicContact CZ-CB 3.74Å; F301-F348 WeakPolarHBondContact CZ-O 3.28Å; F301-G350 VanDerWaalsContact CE2-N 3.31Å; F301-I382 HydrophobicContact CD1-CD1 3.79Å; F301-I382 HydrophobicContact CD2-CD1 4.3Å; F301-I382 HydrophobicContact CE1-CD1 3.78Å; F301-I382 HydrophobicContact CE2-CD1 4.27Å; F301-I382 HydrophobicContact CG-CD1 4.06Å; F301-I382 HydrophobicContact CZ-CD1 4.04Å; F301-F385 HydrophobicContact CB-CE2 4.49Å; F301-F385 HydrophobicContact CB-CZ 4.14Å
302K93.8Very high96.2Very high113 Ų11352.7 Ų52.749%0.49124%0.235SC..  trans-58.6134.6-174.9-64.4-178.7178.9174.80111.1R304 S305 F385K302-R304 HydrophobicContact CB-CG 4.15Å; K302-R304 PolarHBondContact O-N 3.4Å; K302-S305 WeakPolarHBondContact O-CB 3.47Å; K302-S305 PolarHBondContact O-N 2.93Å; K302-F385 HydrophobicContact CD-CE2 4.48Å; K302-F385 HydrophobicContact CG-CE2 4.47Å
303R94Very high96.3Very high214 Ų21452.8 Ų52.881%0.80824%0.236SC*.THydrogen-bonded Turntrans-57-25-179.7-62.2-174.6176.6-178.9-0.7115.3F301 S305 G350F301-R303 PolarHBondContact O-N 2.87Å; R303-S305 VanDerWaalsContact C-N 3.29Å; R303-G350 WeakPolarHBondContact CA-O 3.37Å; R303-G350 WeakPolarHBondContact CG-O 3.35Å
304R94.6Very high96.3Very high202 Ų20252.4 Ų52.476%0.76223%0.234SC*.THydrogen-bonded Turntrans-77.3-14.9176.970.4-174.8-176.8-1686.5113.8K302K302-R304 HydrophobicContact CB-CG 4.15Å; K302-R304 PolarHBondContact O-N 3.4Å
305S96.2Very high96.3Very high14 Ų1449.3 Ų49.310%0.09822%0.221CC..  trans-99.9152.6177.5-62.20000108.7F301 K302 R303 G350 F385F301-S305 WeakPolarHBondContact CE2-O 3.38Å; K302-S305 WeakPolarHBondContact O-CB 3.47Å; K302-S305 PolarHBondContact O-N 2.93Å; R303-S305 VanDerWaalsContact C-N 3.29Å; S305-G350 PolarHBondContact O-N 2.9Å; S305-F385 WeakPolarHBondContact OG-CD2 3.18Å
306T97.3Very high96.2Very high41 Ų4149.7 Ų49.725%0.25222%0.224SC..EExtended strand (participates in β ladder)trans-135.1130.1-177.4-60.20000108.1S347T306-S347 VanDerWaalsContact CG2-OG 3.24Å; T306-S347 WeakPolarHBondContact CG2-OG 3.43Å
307A97.5Very high95.9Very high0 Ų047.9 Ų47.90%022%0.217CC..EExtended strand (participates in β ladder)trans-81.9128167.800000109I277 F301 V310 F348 F380 E381 I382I277-A307 HydrophobicContact CD1-CB 4.17Å; F301-A307 HydrophobicContact CE1-CB 4.24Å; F301-A307 HydrophobicContact CZ-CB 3.74Å; A307-V310 HydrophobicContact CB-CG2 3.57Å; A307-F348 HydrophobicContact CB-CB 4.3Å; A307-F348 PolarHBondContact N-O 2.77Å; A307-F348 PolarHBondContact O-N 3.46Å; A307-F380 HydrophobicContact CB-CB 4.48Å; A307-E381 CarbonylContact C-O 3.58Å; A307-E381 WeakPolarHBondContact CA-O 3.42Å; A307-I382 HydrophobicContact CB-CD1 4.32Å; A307-I382 HydrophobicContact CB-CG1 3.81Å
308N97.2Very high95.6Very high52 Ų5252.2 Ų52.228%0.27824%0.244SC..EExtended strand (participates in β ladder)trans-98.2148.6179.4-63.2-28.1000109.7V310 K346 E381N308-V310 PolarHBondContact O-N 2.67Å; N308-V310 VanDerWaalsContact O-N 3.16Å; N308-K346 WeakPolarHBondContact CA-O 3.37Å; N308-E381 PolarHBondContact N-O 2.56Å; N308-E381 PolarHBondContact O-N 3.31Å
309N96.2Very high95.2Very high105 Ų10552.5 Ų52.556%0.56125%0.248SC*.EExtended strand (participates in β ladder)trans46.948.2171.7-55.8-29.4000112.6E311 K346N309-E311 PolarHBondContact O-N 2.46Å; N309-K346 PolarHBondContact N-O 2.97Å
310V97.8Very high95Very high0 Ų052.6 Ų52.60%025%0.248CC..EExtended strand (participates in β ladder)trans-72.3126.8179.9-177.90000108.7I277 A307 N308 I312 S344 I345 F348 V378 K379 F380I277-V310 HydrophobicContact CD1-CG1 3.92Å; I277-V310 HydrophobicContact CD1-CG2 4.01Å; A307-V310 HydrophobicContact CB-CG2 3.57Å; N308-V310 PolarHBondContact O-N 2.67Å; N308-V310 VanDerWaalsContact O-N 3.16Å; V310-I312 HydrophobicContact CG1-CG1 4.18Å; V310-S344 CarbonylContact O-C 3.49Å; V310-S344 WeakPolarHBondContact O-CA 3.4Å; V310-I345 HydrophobicContact CB-CB 4.32Å; V310-I345 PolarHBondContact N-O 3.21Å; V310-I345 PolarHBondContact O-N 2.88Å; V310-F348 HydrophobicContact CG1-CD1 4.44Å; V310-F348 HydrophobicContact CG2-CB 3.97Å; V310-F348 HydrophobicContact CG2-CD1 4.27Å; V310-V378 HydrophobicContact CG1-CG1 3.93Å; V310-K379 CarbonylContact C-O 3.59Å; V310-K379 VanDerWaalsContact CA-O 3.22Å; V310-K379 WeakPolarHBondContact CA-O 3.49Å; V310-F380 HydrophobicContact CG1-CB 4.37Å; V310-F380 HydrophobicContact CG2-CB 3.91Å
311E97.9Very high94.9Very high55 Ų5552.3 Ų52.326%0.25725%0.249SC..EExtended strand (participates in β ladder)trans-120.4119.2174-57.6-169.9140.400108.9N309 H313 K333 V342 V378 K379N309-E311 PolarHBondContact O-N 2.46Å; E311-H313 IonicContact OE2-NE2 3.69Å; E311-K333 IonicContact OE1-NZ 3.44Å; E311-V342 HydrophobicContact CB-CG1 3.9Å; E311-V342 HydrophobicContact CG-CG1 4.39Å; E311-V378 CarbonylContact O-C 3.6Å; E311-V378 WeakPolarHBondContact O-CA 3.47Å; E311-K379 HydrophobicContact CB-CB 4.22Å; E311-K379 PolarHBondContact N-O 2.85Å; E311-K379 PolarHBondContact O-N 3.03Å
312I97.9Very high94.8Very high0 Ų055 Ų550%027%0.27CS..EExtended strand (participates in β ladder)trans-104.3110.5176.9-58.1159.9000107I279 A297 V310 I314 V342 W343 I345 I376 V378I279-I312 HydrophobicContact CD1-CD1 3.73Å; I279-I312 HydrophobicContact CD1-CG1 4.11Å; I279-I312 HydrophobicContact CD1-CG2 4.3Å; I279-I312 HydrophobicContact CG1-CG2 4.49Å; A297-I312 HydrophobicContact CB-CD1 3.79Å; V310-I312 HydrophobicContact CG1-CG1 4.18Å; I312-I314 HydrophobicContact CB-CD1 4.44Å; I312-I314 HydrophobicContact CG2-CD1 3.74Å; I312-I314 HydrophobicContact CG2-CG1 3.91Å; I312-V342 WeakPolarHBondContact O-CA 3.38Å; I312-W343 HydrophobicContact CB-CB 4.32Å; I312-W343 HydrophobicContact CD1-CD2 4.11Å; I312-W343 HydrophobicContact CD1-CE3 3.41Å; I312-W343 VanDerWaalsContact CD1-CE3 3.41Å; I312-W343 HydrophobicContact CD1-CZ3 3.74Å; I312-W343 PolarHBondContact N-O 2.73Å; I312-W343 PolarHBondContact O-N 2.92Å; I312-I345 HydrophobicContact CD1-CD1 4.26Å; I312-I376 HydrophobicContact CG2-CG2 3.97Å; I312-V378 HydrophobicContact CG1-CG1 3.98Å; I312-V378 HydrophobicContact CG1-CG2 4.3Å; I312-V378 HydrophobicContact CG2-CG2 4.33Å
313H97.5Very high94.9Very high15 Ų1551.9 Ų51.97%0.06926%0.262CS..EExtended strand (participates in β ladder)trans-91.4115.4179.7-68.7-98.1000109.1E311 E340 I376 S377 K379E311-H313 IonicContact OE2-NE2 3.69Å; H313-E340 WeakPolarHBondContact CB-OE2 3.08Å; H313-E340 IonicContact CE1-OE1 2.75Å; H313-E340 IonicContact CG-OE1 3.46Å; H313-E340 IonicContact CG-OE2 2.86Å; H313-E340 IonicContact ND1-OE1 3.65Å; H313-E340 PolarHBondContact ND1-OE1 3.36Å; H313-E340 IonicContact ND1-OE2 3.29Å; H313-E340 PolarHBondContact ND1-OE2 2.82Å; H313-I376 VanDerWaalsContact O-CA 3.32Å; H313-I376 WeakPolarHBondContact O-CA 3.3Å; H313-I376 WeakPolarHBondContact O-CG2 3.31Å; H313-S377 WeakPolarHBondContact CB-OG 3.27Å; H313-S377 PolarHBondContact N-O 2.68Å; H313-S377 PolarHBondContact O-N 3.18Å; H313-K379 WeakPolarHBondContact NE2-CE 3.48Å
314I96.3Very high95Very high1 Ų148.4 Ų48.41%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-119.9116.7-177.9-57.1123.1000108.7Y293 I295 I312 E340 I341 M356 I376Y293-I314 HydrophobicContact CD1-CG2 4.09Å; Y293-I314 HydrophobicContact CE1-CG2 4.14Å; I295-I314 HydrophobicContact CD1-CB 4.11Å; I295-I314 HydrophobicContact CD1-CD1 3.38Å; I295-I314 HydrophobicContact CD1-CG1 3.49Å; I295-I314 VanDerWaalsContact CD1-CG1 3.49Å; I295-I314 HydrophobicContact CD1-CG2 3.72Å; I312-I314 HydrophobicContact CB-CD1 4.44Å; I312-I314 HydrophobicContact CG2-CD1 3.74Å; I312-I314 HydrophobicContact CG2-CG1 3.91Å; I314-E340 CarbonylContact O-C 3.6Å; I314-E340 VanDerWaalsContact O-CA 3.31Å; I314-E340 WeakPolarHBondContact O-CA 2.85Å; I314-E340 WeakPolarHBondContact O-CB 3.37Å; I314-I341 HydrophobicContact CB-CD1 4.29Å; I314-I341 HydrophobicContact CB-CG1 3.74Å; I314-I341 HydrophobicContact CD1-CD1 4.19Å; I314-I341 HydrophobicContact CD1-CG1 4.01Å; I314-I341 HydrophobicContact CG2-CG1 4.39Å; I314-I341 PolarHBondContact N-O 2.88Å; I314-I341 PolarHBondContact O-N 3.16Å; I314-M356 HydrophobicContact CD1-CE 3.75Å; I314-I376 HydrophobicContact CB-CG1 4.36Å; I314-I376 HydrophobicContact CG1-CD1 4.32Å; I314-I376 HydrophobicContact CG1-CG1 4.09Å; I314-I376 HydrophobicContact CG1-CG2 4.27Å; I314-I376 HydrophobicContact CG2-CD1 4.37Å; I314-I376 HydrophobicContact CG2-CG1 4.15Å
315P95.3Very high95.1Very high25 Ų2542.1 Ų42.116%0.16223%0.23CC..EExtended strand (participates in β ladder)trans-61.9136.8175.6-25.136.4000111.9Y293 P374Y293-P315 PolarHBondContact OH-O 3.46Å; P315-P374 HydrophobicContact CB-CB 4.25Å; P315-P374 HydrophobicContact CB-CG 4.13Å; P315-P374 HydrophobicContact CG-CB 3.7Å; P315-P374 HydrophobicContact CG-CG 4.13Å; P315-P374 WeakPolarHBondContact CG-O 3.28Å
316V93.6Very high95.1Very high8 Ų849.3 Ų49.35%0.04826%0.26CS..  trans-124.9156.3173.6-60.20000109.4Y293 S339 I341 F360Y293-V316 HydrophobicContact CE2-CG1 3.97Å; V316-S339 PolarHBondContact N-O 3.16Å; V316-I341 HydrophobicContact CG1-CD1 4.4Å; V316-I341 HydrophobicContact CG1-CG1 4.16Å; V316-I341 HydrophobicContact CG1-CG2 3.96Å; V316-F360 HydrophobicContact CG1-CE2 3.94Å; V316-F360 HydrophobicContact CG1-CZ 4.17Å
317P91.4Very high95.1Very high15 Ų1549.7 Ų49.710%0.09726%0.262CS..  trans-56.3144.1176.9-26.136.1000111.8I291 Y293 D319 A320 L362 E371I291-P317 HydrophobicContact CD1-CG 4.05Å; Y293-P317 WeakPolarHBondContact OH-CD 3.37Å; P317-D319 WeakPolarHBondContact CB-OD1 3.32Å; P317-D319 PolarHBondContact O-N 2.89Å; P317-A320 HydrophobicContact CB-CB 4.21Å; P317-A320 WeakPolarHBondContact O-CB 3.37Å; P317-A320 PolarHBondContact O-N 2.88Å; P317-L362 HydrophobicContact CB-CD2 4.12Å; P317-L362 HydrophobicContact CG-CD2 4.11Å; P317-E371 WeakPolarHBondContact CA-OE2 3.46Å
318T89.7Confident95Very high90 Ų9053.8 Ų53.855%0.55229%0.287SS*.THydrogen-bonded Turntrans-66.1-27.3-179.168.80000112A320 S339 E371T318-A320 VanDerWaalsContact C-N 3.34Å; T318-S339 WeakPolarHBondContact CG2-OG 3.39Å; T318-E371 WeakPolarHBondContact CB-OE1 3.42Å; T318-E371 HydrophobicContact CG2-CG 4.44Å; T318-E371 WeakPolarHBondContact CG2-OE1 3.37Å; T318-E371 PolarHBondContact N-OE1 2.84Å; T318-E371 VanDerWaalsContact N-OE1 3.11Å; T318-E371 PolarHBondContact N-OE2 2.81Å; T318-E371 PolarHBondContact OG1-OE1 3.32Å
319D89.6Confident94.9Very high54 Ų5453.9 Ų53.929%0.28929%0.29SS..THydrogen-bonded Turntrans-89.81.8-179.570.4-17.2000113.4P317 P363P317-D319 WeakPolarHBondContact CB-OD1 3.32Å; P317-D319 PolarHBondContact O-N 2.89Å; D319-P363 HydrophobicContact CB-CG 3.82Å; D319-P363 WeakPolarHBondContact O-CD 3.38Å; D319-P363 WeakPolarHBondContact O-CG 3.3Å; D319-P363 WeakPolarHBondContact OD2-CD 3Å
320A91.4Very high94.9Very high5 Ų550.5 Ų50.54%0.04128%0.28CS..  trans-66.4139.2179.700000111.8P317 T318 W334 F360 G361P317-A320 HydrophobicContact CB-CB 4.21Å; P317-A320 WeakPolarHBondContact O-CB 3.37Å; P317-A320 PolarHBondContact O-N 2.88Å; T318-A320 VanDerWaalsContact C-N 3.34Å; A320-W334 VanDerWaalsContact O-CZ2 3.27Å; A320-W334 WeakPolarHBondContact O-CZ2 3.32Å; A320-F360 HydrophobicContact CB-CB 4.07Å; A320-F360 HydrophobicContact CB-CD1 3.79Å; A320-F360 HydrophobicContact CB-CG 4.12Å; A320-G361 WeakPolarHBondContact CA-O 3.28Å
321D92.6Very high94.9Very high73 Ų7354.3 Ų54.339%0.3931%0.307SS..EExtended strand (participates in β ladder)trans-130.4179.717980.916.2000113F360 G361D321-F360 CarbonylContact O-C 3.59Å; D321-F360 WeakPolarHBondContact O-CA 3.4Å; D321-F360 WeakPolarHBondContact O-CD1 3.32Å; D321-G361 PolarHBondContact N-O 2.93Å; D321-G361 PolarHBondContact O-N 3.1Å; D321-G361 VanDerWaalsContact OD1-CA 3.25Å; D321-G361 WeakPolarHBondContact OD1-CA 3.45Å
322S94Very high94.9Very high73 Ų7353 Ų5351%0.5130%0.302SS..EExtended strand (participates in β ladder)trans49.953.2168-51.80000114.7K324S322-K324 PolarHBondContact O-N 3.01Å
323P95.7Very high94.8Very high48 Ų4857.7 Ų57.731%0.31232%0.323SS..EExtended strand (participates in β ladder)trans-62132.9-174.825.1-35.1000112.3F325 W334 H359 F360P323-F325 HydrophobicContact CB-CE1 4.32Å; P323-F325 HydrophobicContact CB-CE2 3.7Å; P323-F325 HydrophobicContact CB-CZ 3.51Å; P323-W334 HydrophobicContact CG-CD2 4.18Å; P323-W334 HydrophobicContact CG-CE3 3.7Å; P323-W334 HydrophobicContact CG-CZ3 4.22Å; P323-H359 CarbonylContact C-O 3.59Å; P323-F360 HydrophobicContact CB-CD1 4.08Å; P323-F360 HydrophobicContact CB-CE1 3.56Å; P323-F360 HydrophobicContact CB-CZ 3.99Å; P323-F360 HydrophobicContact CG-CE1 4.48Å
324K95.9Very high94.8Very high141 Ų14161.3 Ų61.361%0.61334%0.336SS*.EExtended strand (participates in β ladder)trans-130.7123.4170.4-65.3176.4-174.1171.70109.7S322 A358 H359S322-K324 PolarHBondContact O-N 3.01Å; K324-A358 CarbonylContact O-C 3.59Å; K324-A358 WeakPolarHBondContact O-CA 3.27Å; K324-H359 HydrophobicContact CB-CB 4.29Å; K324-H359 PolarHBondContact N-O 3.19Å; K324-H359 PolarHBondContact O-N 3.27Å
325F96.8Very high94.7Very high69 Ų6962.5 Ų62.530%0.30334%0.343SS..EExtended strand (participates in β ladder)trans-117.2140.7-176.7-53.4-60.8000111.8P323 V332 W334 I341 R357 A358 F360P323-F325 HydrophobicContact CB-CE1 4.32Å; P323-F325 HydrophobicContact CB-CE2 3.7Å; P323-F325 HydrophobicContact CB-CZ 3.51Å; F325-V332 HydrophobicContact CB-CB 4.1Å; F325-V332 HydrophobicContact CB-CG2 4.43Å; F325-V332 HydrophobicContact CD1-CB 4.07Å; F325-V332 HydrophobicContact CD1-CG1 3.58Å; F325-V332 HydrophobicContact CD2-CB 3.99Å; F325-V332 HydrophobicContact CD2-CG1 3.91Å; F325-V332 HydrophobicContact CE1-CG1 3.61Å; F325-V332 HydrophobicContact CE2-CB 4.45Å; F325-V332 HydrophobicContact CE2-CG1 3.93Å; F325-V332 HydrophobicContact CG-CB 3.77Å; F325-V332 HydrophobicContact CG-CG1 3.74Å; F325-V332 HydrophobicContact CG-CG2 4.45Å; F325-V332 HydrophobicContact CZ-CG1 3.79Å; F325-W334 HydrophobicContact CE2-CB 4.31Å; F325-W334 HydrophobicContact CZ-CB 4.07Å; F325-I341 HydrophobicContact CE1-CD1 4.3Å; F325-I341 HydrophobicContact CE1-CG2 3.86Å; F325-I341 HydrophobicContact CZ-CG2 3.83Å; F325-R357 CarbonylContact C-O 3.57Å; F325-R357 WeakPolarHBondContact CA-O 3.12Å; F325-A358 HydrophobicContact CD1-CB 3.59Å; F325-A358 HydrophobicContact CE1-CB 3.71Å; F325-F360 AromaticContact CE1-CE2 3.87Å; F325-F360 HydrophobicContact CE1-CE2 3.87Å; F325-F360 AromaticContact CE1-CZ 3.75Å; F325-F360 HydrophobicContact CE1-CZ 3.75Å; F325-F360 HydrophobicContact CZ-CE2 4.36Å; F325-F360 AromaticContact CZ-CZ 3.76Å; F325-F360 HydrophobicContact CZ-CZ 3.76Å
326K96.6Very high94.6Very high165 Ų16564.1 Ų64.172%0.71735%0.353SS*.EExtended strand (participates in β ladder)trans-134.3113.2169.8-174.2176.4-177.7176.80109M356 R357K326-M356 CarbonylContact O-C 3.58Å; K326-M356 WeakPolarHBondContact O-CA 3.03Å; K326-R357 HydrophobicContact CB-CB 4.5Å; K326-R357 PolarHBondContact N-O 2.95Å; K326-R357 PolarHBondContact O-N 3.04Å
327T96.3Very high94.5Very high49 Ų4971.2 Ų71.230%0.30139%0.386SS..EExtended strand (participates in β ladder)trans-114.7150.1-179.855.10000110.6G330 V332 M356T327-G330 PolarHBondContact OG1-O 2.9Å; T327-V332 HydrophobicContact CG2-CG2 3.52Å; T327-M356 HydrophobicContact CG2-CB 4.1Å; T327-M356 HydrophobicContact CG2-CG 3.55Å
328T95.5Very high94.6Very high86 Ų8675.7 Ų75.753%0.52841%0.409SS..SBendtrans-78.4-39.3166.556.60000111.4L355T328-L355 HydrophobicContact CG2-CB 4.05Å; T328-L355 HydrophobicContact CG2-CD1 4.49Å; T328-L355 PolarHBondContact N-O 3.5Å; T328-L355 PolarHBondContact OG1-N 3.49Å; T328-L355 PolarHBondContact OG1-O 2.82Å
329V95.9Very high94.7Very high54 Ų5472.8 Ų72.833%0.32739%0.393SS..SBendtrans-147145.7-178.8178.90000108.8W343 I345 Y354V329-W343 PolarHBondContact O-NE1 2.98Å; V329-I345 HydrophobicContact CG1-CG2 4.31Å; V329-Y354 HydrophobicContact CB-CD1 4Å; V329-Y354 HydrophobicContact CB-CD2 4.13Å; V329-Y354 HydrophobicContact CB-CE1 4.14Å; V329-Y354 HydrophobicContact CB-CE2 4.2Å; V329-Y354 HydrophobicContact CB-CG 4.01Å; V329-Y354 HydrophobicContact CG1-CD2 4.4Å; V329-Y354 HydrophobicContact CG1-CE2 4.07Å; V329-Y354 HydrophobicContact CG2-CD1 3.63Å; V329-Y354 HydrophobicContact CG2-CE1 3.54Å; V329-Y354 HydrophobicContact CG2-CE2 4.43Å; V329-Y354 HydrophobicContact CG2-CG 4.18Å
330G95.4Very high95Very high35 Ų3571.6 Ų71.636%0.36139%0.386SS..SBendtrans82.6176.7179.900000113.1T327 S344T327-G330 PolarHBondContact OG1-O 2.9Å; G330-S344 WeakPolarHBondContact CA-O 3.5Å
331S96.9Very high95.3Very high80 Ų8071.4 Ų71.456%0.55938%0.384SS*.EExtended strand (participates in β ladder)trans-118.1151.6-178.952.80000110.4S344S331-S344 PolarHBondContact N-O 3.16Å; S331-S344 PolarHBondContact O-N 3.3Å
332V97.9Very high95.5Very high26 Ų2668 Ų6816%0.15837%0.366CS..EExtended strand (participates in β ladder)trans-114.3131.7174.8179.40000108.2F325 T327 I341 V342 W343 M356F325-V332 HydrophobicContact CB-CB 4.1Å; F325-V332 HydrophobicContact CB-CG2 4.43Å; F325-V332 HydrophobicContact CD1-CB 4.07Å; F325-V332 HydrophobicContact CD1-CG1 3.58Å; F325-V332 HydrophobicContact CD2-CB 3.99Å; F325-V332 HydrophobicContact CD2-CG1 3.91Å; F325-V332 HydrophobicContact CE1-CG1 3.61Å; F325-V332 HydrophobicContact CE2-CB 4.45Å; F325-V332 HydrophobicContact CE2-CG1 3.93Å; F325-V332 HydrophobicContact CG-CB 3.77Å; F325-V332 HydrophobicContact CG-CG1 3.74Å; F325-V332 HydrophobicContact CG-CG2 4.45Å; F325-V332 HydrophobicContact CZ-CG1 3.79Å; T327-V332 HydrophobicContact CG2-CG2 3.52Å; V332-I341 HydrophobicContact CG1-CB 4Å; V332-I341 HydrophobicContact CG1-CD1 4.46Å; V332-I341 HydrophobicContact CG1-CG2 4.47Å; V332-V342 WeakPolarHBondContact CA-O 3.16Å; V332-W343 HydrophobicContact CG2-CB 3.98Å; V332-W343 HydrophobicContact CG2-CG 4Å; V332-M356 HydrophobicContact CG2-CG 3.68Å; V332-M356 HydrophobicContact CG2-SD 4.32Å
333K96.6Very high95.7Very high100 Ų10064.5 Ų64.544%0.43534%0.341SS..EExtended strand (participates in β ladder)trans-111.9136.8168.858.9-177.9176.6-175.90108.6E311 V335 I341 V342E311-K333 IonicContact OE1-NZ 3.44Å; K333-V335 HydrophobicContact CD-CG2 4.43Å; K333-V335 HydrophobicContact CG-CG2 4.24Å; K333-I341 WeakPolarHBondContact O-CA 3.41Å; K333-V342 HydrophobicContact CD-CB 4.21Å; K333-V342 VanDerWaalsContact CE-CG1 3.49Å; K333-V342 HydrophobicContact CG-CB 3.73Å; K333-V342 HydrophobicContact CG-CG2 4.41Å; K333-V342 PolarHBondContact N-O 3.14Å; K333-V342 PolarHBondContact O-N 2.87Å
334W96.8Very high95.9Very high90 Ų9063.5 Ų63.534%0.34134%0.335SS..EExtended strand (participates in β ladder)trans-89.8132.9168.9-178.738.7000108.5A320 P323 F325 P336 I341 F360A320-W334 VanDerWaalsContact O-CZ2 3.27Å; A320-W334 WeakPolarHBondContact O-CZ2 3.32Å; P323-W334 HydrophobicContact CG-CD2 4.18Å; P323-W334 HydrophobicContact CG-CE3 3.7Å; P323-W334 HydrophobicContact CG-CZ3 4.22Å; F325-W334 HydrophobicContact CE2-CB 4.31Å; F325-W334 HydrophobicContact CZ-CB 4.07Å; W334-P336 HydrophobicContact CD2-CG 3.75Å; W334-P336 HydrophobicContact CE3-CG 3.85Å; W334-P336 HydrophobicContact CG-CG 4.4Å; W334-P336 HydrophobicContact CH2-CB 4.46Å; W334-P336 HydrophobicContact CH2-CG 3.91Å; W334-P336 HydrophobicContact CZ2-CB 4.07Å; W334-P336 HydrophobicContact CZ2-CG 3.78Å; W334-P336 HydrophobicContact CZ3-CG 3.94Å; W334-I341 HydrophobicContact CB-CG2 4.36Å; W334-I341 HydrophobicContact CG-CG2 4.45Å; W334-F360 AromaticContact CD1-CE1 3.88Å; W334-F360 HydrophobicContact CD2-CE1 4.26Å; W334-F360 HydrophobicContact CG-CE1 4.15Å; W334-F360 HydrophobicContact CG-CZ 4.43Å; W334-F360 AromaticContact NE1-CE1 3.79Å
335V95.9Very high96Very high27 Ų2756.9 Ų56.916%0.16431%0.307CS..EExtended strand (participates in β ladder)trans-124.683.8-178.7-173.20000107.4K333 E337 N338 S339 E340 V342K333-V335 HydrophobicContact CD-CG2 4.43Å; K333-V335 HydrophobicContact CG-CG2 4.24Å; V335-E337 WeakPolarHBondContact CG1-OE2 3.31Å; V335-E337 PolarHBondContact O-N 2.83Å; V335-N338 HydrophobicContact CG1-CB 4.07Å; V335-N338 PolarHBondContact O-N 3.48Å; V335-S339 PolarHBondContact O-N 3.4Å; V335-E340 CarbonylContact C-O 3.54Å; V335-E340 HydrophobicContact CB-CG 4.23Å; V335-E340 PolarHBondContact N-O 3.04Å; V335-E340 PolarHBondContact O-N 3.42Å; V335-E340 VanDerWaalsContact O-N 3.15Å; V335-V342 HydrophobicContact CG2-CG2 3.99Å
336P92.1Very high95.9Very high58 Ų5861.7 Ų61.738%0.37733%0.327SS..G310 helixtrans-58.8-32.7-178.4-2029.6000113.1W334 N338 S339W334-P336 HydrophobicContact CD2-CG 3.75Å; W334-P336 HydrophobicContact CE3-CG 3.85Å; W334-P336 HydrophobicContact CG-CG 4.4Å; W334-P336 HydrophobicContact CH2-CB 4.46Å; W334-P336 HydrophobicContact CH2-CG 3.91Å; W334-P336 HydrophobicContact CZ2-CB 4.07Å; W334-P336 HydrophobicContact CZ2-CG 3.78Å; W334-P336 HydrophobicContact CZ3-CG 3.94Å; P336-N338 PolarHBondContact O-N 3.39Å; P336-S339 PolarHBondContact O-N 3.03Å
337E92.1Very high96Very high158 Ų15856.8 Ų56.874%0.73831%0.314SS*.G310 helixtrans-61-31-177.2-56.278.6-171.800112.3V335V335-E337 WeakPolarHBondContact CG1-OE2 3.31Å; V335-E337 PolarHBondContact O-N 2.83Å
338N92.3Very high96Very high108 Ų10854.5 Ų54.558%0.57830%0.3SS*.G310 helixtrans-104.41.2176.5-68.9-12.7000112.4V335 P336 E340V335-N338 HydrophobicContact CG1-CB 4.07Å; V335-N338 PolarHBondContact O-N 3.48Å; P336-N338 PolarHBondContact O-N 3.39Å; N338-E340 VanDerWaalsContact C-N 3.31Å; N338-E340 HydrophobicContact CB-CG 3.8Å; N338-E340 PolarHBondContact O-N 3.35Å
339S93.4Very high96.1Very high30 Ų3052 Ų5221%0.2129%0.285CS..THydrogen-bonded Turntrans50.848.2-173-58.10000112.6V316 T318 V335 P336V316-S339 PolarHBondContact N-O 3.16Å; T318-S339 WeakPolarHBondContact CG2-OG 3.39Å; V335-S339 PolarHBondContact O-N 3.4Å; P336-S339 PolarHBondContact O-N 3.03Å
340E95.5Very high96.2Very high29 Ų2949.6 Ų49.614%0.13627%0.272CS..EExtended strand (participates in β ladder)trans-143163.9-179.370.8178.8-171.900113H313 I314 V335 N338 V342H313-E340 WeakPolarHBondContact CB-OE2 3.08Å; H313-E340 IonicContact CE1-OE1 2.75Å; H313-E340 IonicContact CG-OE1 3.46Å; H313-E340 IonicContact CG-OE2 2.86Å; H313-E340 IonicContact ND1-OE1 3.65Å; H313-E340 PolarHBondContact ND1-OE1 3.36Å; H313-E340 IonicContact ND1-OE2 3.29Å; H313-E340 PolarHBondContact ND1-OE2 2.82Å; I314-E340 CarbonylContact O-C 3.6Å; I314-E340 VanDerWaalsContact O-CA 3.31Å; I314-E340 WeakPolarHBondContact O-CA 2.85Å; I314-E340 WeakPolarHBondContact O-CB 3.37Å; V335-E340 CarbonylContact C-O 3.54Å; V335-E340 HydrophobicContact CB-CG 4.23Å; V335-E340 PolarHBondContact N-O 3.04Å; V335-E340 PolarHBondContact O-N 3.42Å; V335-E340 VanDerWaalsContact O-N 3.15Å; N338-E340 VanDerWaalsContact C-N 3.31Å; N338-E340 HydrophobicContact CB-CG 3.8Å; N338-E340 PolarHBondContact O-N 3.35Å; E340-V342 HydrophobicContact CG-CG2 4.3Å
341I96.8Very high96.2Very high0 Ų050.1 Ų50.10%028%0.276CS..EExtended strand (participates in β ladder)trans-109.2144.1160.860179.8000109.7I314 V316 F325 V332 K333 W334 M356 A358 F360I314-I341 HydrophobicContact CB-CD1 4.29Å; I314-I341 HydrophobicContact CB-CG1 3.74Å; I314-I341 HydrophobicContact CD1-CD1 4.19Å; I314-I341 HydrophobicContact CD1-CG1 4.01Å; I314-I341 HydrophobicContact CG2-CG1 4.39Å; I314-I341 PolarHBondContact N-O 2.88Å; I314-I341 PolarHBondContact O-N 3.16Å; V316-I341 HydrophobicContact CG1-CD1 4.4Å; V316-I341 HydrophobicContact CG1-CG1 4.16Å; V316-I341 HydrophobicContact CG1-CG2 3.96Å; F325-I341 HydrophobicContact CE1-CD1 4.3Å; F325-I341 HydrophobicContact CE1-CG2 3.86Å; F325-I341 HydrophobicContact CZ-CG2 3.83Å; V332-I341 HydrophobicContact CG1-CB 4Å; V332-I341 HydrophobicContact CG1-CD1 4.46Å; V332-I341 HydrophobicContact CG1-CG2 4.47Å; K333-I341 WeakPolarHBondContact O-CA 3.41Å; W334-I341 HydrophobicContact CB-CG2 4.36Å; W334-I341 HydrophobicContact CG-CG2 4.45Å; I341-M356 HydrophobicContact CD1-CE 3.62Å; I341-M356 HydrophobicContact CD1-SD 4.47Å; I341-A358 HydrophobicContact CD1-CB 3.94Å; I341-F360 HydrophobicContact CG2-CE2 3.97Å; I341-F360 HydrophobicContact CG2-CZ 3.45Å; I341-F360 VanDerWaalsContact CG2-CZ 3.45Å
342V98Very high96.2Very high2 Ų251.7 Ų51.71%0.01227%0.273CS..EExtended strand (participates in β ladder)trans-116112.5175.9-1740000108.6E311 I312 V332 K333 V335 E340E311-V342 HydrophobicContact CB-CG1 3.9Å; E311-V342 HydrophobicContact CG-CG1 4.39Å; I312-V342 WeakPolarHBondContact O-CA 3.38Å; V332-V342 WeakPolarHBondContact CA-O 3.16Å; K333-V342 HydrophobicContact CD-CB 4.21Å; K333-V342 VanDerWaalsContact CE-CG1 3.49Å; K333-V342 HydrophobicContact CG-CB 3.73Å; K333-V342 HydrophobicContact CG-CG2 4.41Å; K333-V342 PolarHBondContact N-O 3.14Å; K333-V342 PolarHBondContact O-N 2.87Å; V335-V342 HydrophobicContact CG2-CG2 3.99Å; E340-V342 HydrophobicContact CG-CG2 4.3Å
343W98.3Very high96.1Very high0 Ų054.2 Ų54.20%028%0.283CS..EExtended strand (participates in β ladder)trans-91.2110.4172.6179.626.3000109.7I295 A297 I312 V329 V332 I345 M356I295-W343 HydrophobicContact CG2-CZ3 4.43Å; A297-W343 HydrophobicContact CB-CH2 3.88Å; A297-W343 HydrophobicContact CB-CZ3 3.6Å; I312-W343 HydrophobicContact CB-CB 4.32Å; I312-W343 HydrophobicContact CD1-CD2 4.11Å; I312-W343 HydrophobicContact CD1-CE3 3.41Å; I312-W343 VanDerWaalsContact CD1-CE3 3.41Å; I312-W343 HydrophobicContact CD1-CZ3 3.74Å; I312-W343 PolarHBondContact N-O 2.73Å; I312-W343 PolarHBondContact O-N 2.92Å; V329-W343 PolarHBondContact O-NE1 2.98Å; V332-W343 HydrophobicContact CG2-CB 3.98Å; V332-W343 HydrophobicContact CG2-CG 4Å; W343-I345 HydrophobicContact CD2-CD1 4.11Å; W343-I345 HydrophobicContact CD2-CG1 4.38Å; W343-I345 HydrophobicContact CE3-CD1 4.48Å; W343-I345 HydrophobicContact CH2-CD1 3.99Å; W343-I345 HydrophobicContact CZ2-CD1 3.57Å; W343-I345 HydrophobicContact CZ2-CG1 4.22Å; W343-I345 HydrophobicContact CZ3-CD1 4.43Å; W343-M356 HydrophobicContact CD2-CB 3.78Å; W343-M356 HydrophobicContact CD2-CG 4.16Å; W343-M356 HydrophobicContact CE3-CB 3.77Å; W343-M356 HydrophobicContact CE3-CG 4.46Å; W343-M356 HydrophobicContact CG-CB 4.42Å; W343-M356 HydrophobicContact CG-CG 4.29Å; W343-M356 HydrophobicContact CH2-CB 4.02Å; W343-M356 HydrophobicContact CZ2-CB 4.02Å; W343-M356 HydrophobicContact CZ3-CB 3.89Å
344S98.1Very high96.2Very high27 Ų2751 Ų5119%0.18927%0.269CS..EExtended strand (participates in β ladder)trans-101.8125-175-60.70000111.6V310 G330 S331V310-S344 CarbonylContact O-C 3.49Å; V310-S344 WeakPolarHBondContact O-CA 3.4Å; G330-S344 WeakPolarHBondContact CA-O 3.5Å; S331-S344 PolarHBondContact N-O 3.16Å; S331-S344 PolarHBondContact O-N 3.3Å
345I98Very high96.2Very high1 Ų150 Ų501%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-125.5103.5179.6-51.8172.7000108.2V310 I312 V329 W343 S347 F348 Y354V310-I345 HydrophobicContact CB-CB 4.32Å; V310-I345 PolarHBondContact N-O 3.21Å; V310-I345 PolarHBondContact O-N 2.88Å; I312-I345 HydrophobicContact CD1-CD1 4.26Å; V329-I345 HydrophobicContact CG1-CG2 4.31Å; W343-I345 HydrophobicContact CD2-CD1 4.11Å; W343-I345 HydrophobicContact CD2-CG1 4.38Å; W343-I345 HydrophobicContact CE3-CD1 4.48Å; W343-I345 HydrophobicContact CH2-CD1 3.99Å; W343-I345 HydrophobicContact CZ2-CD1 3.57Å; W343-I345 HydrophobicContact CZ2-CG1 4.22Å; W343-I345 HydrophobicContact CZ3-CD1 4.43Å; I345-S347 VanDerWaalsContact C-N 3.3Å; I345-S347 PolarHBondContact O-N 2.74Å; I345-F348 HydrophobicContact CD1-CD1 4.11Å; I345-F348 HydrophobicContact CD1-CE1 4.22Å; I345-F348 HydrophobicContact CG2-CB 3.96Å; I345-F348 HydrophobicContact CG2-CG 4.33Å; I345-Y354 HydrophobicContact CD1-CD2 4.05Å; I345-Y354 HydrophobicContact CG2-CD2 4.28Å; I345-Y354 HydrophobicContact CG2-CE2 4.11Å
346K96.6Very high96.3Very high170 Ų17048.8 Ų48.874%0.73926%0.262SS*.EExtended strand (participates in β ladder)trans-60.7-37.3-174.8-171.1173-176.4174.20113.5N308 N309N308-K346 WeakPolarHBondContact CA-O 3.37Å; N309-K346 PolarHBondContact N-O 2.97Å
347S97.1Very high96.5Very high63 Ų6351.7 Ų51.744%0.44127%0.266SS..EExtended strand (participates in β ladder)trans-140.5115.9-179.11770000109.7T306 I345T306-S347 VanDerWaalsContact CG2-OG 3.24Å; T306-S347 WeakPolarHBondContact CG2-OG 3.43Å; I345-S347 VanDerWaalsContact C-N 3.3Å; I345-S347 PolarHBondContact O-N 2.74Å
348F97.8Very high96.8Very high0 Ų044.2 Ų44.20%023%0.231CC..EExtended strand (participates in β ladder)trans-12390.8-178.1-163.2172.7000110I277 A297 S299 F301 A307 V310 I345 K352 Y354I277-F348 HydrophobicContact CG2-CE1 4.28Å; A297-F348 HydrophobicContact CB-CE1 3.89Å; A297-F348 HydrophobicContact CB-CZ 4.1Å; S299-F348 WeakPolarHBondContact OG-CE2 3.3Å; F301-F348 WeakPolarHBondContact CZ-O 3.28Å; A307-F348 HydrophobicContact CB-CB 4.3Å; A307-F348 PolarHBondContact N-O 2.77Å; A307-F348 PolarHBondContact O-N 3.46Å; V310-F348 HydrophobicContact CG1-CD1 4.44Å; V310-F348 HydrophobicContact CG2-CB 3.97Å; V310-F348 HydrophobicContact CG2-CD1 4.27Å; I345-F348 HydrophobicContact CD1-CD1 4.11Å; I345-F348 HydrophobicContact CD1-CE1 4.22Å; I345-F348 HydrophobicContact CG2-CB 3.96Å; I345-F348 HydrophobicContact CG2-CG 4.33Å; F348-K352 HydrophobicContact CD2-CB 4.22Å; F348-K352 HydrophobicContact CE2-CB 3.86Å; F348-Y354 AromaticContact CD2-CD2 3.75Å; F348-Y354 HydrophobicContact CD2-CD2 3.75Å; F348-Y354 AromaticContact CD2-CE2 3.39Å; F348-Y354 HydrophobicContact CD2-CE2 3.39Å; F348-Y354 HydrophobicContact CE1-CD2 4.32Å; F348-Y354 AromaticContact CE2-CD2 3.51Å; F348-Y354 HydrophobicContact CE2-CD2 3.51Å; F348-Y354 AromaticContact CE2-CE2 3.57Å; F348-Y354 HydrophobicContact CE2-CE2 3.57Å; F348-Y354 HydrophobicContact CE2-CG 4.32Å; F348-Y354 HydrophobicContact CG-CD2 4.25Å; F348-Y354 HydrophobicContact CG-CE2 4.01Å; F348-Y354 AromaticContact CZ-CD2 3.83Å; F348-Y354 HydrophobicContact CZ-CD2 3.83Å; F348-Y354 HydrophobicContact CZ-CE2 4.33Å
349P97.7Very high97Very high34 Ų3441.3 Ų41.322%0.22121%0.214CC..EExtended strand (participates in β ladder)trans-63.1151.3178.6-2233.7000112.2S299 K352S299-P349 PolarHBondContact OG-O 2.99Å; P349-K352 HydrophobicContact CB-CG 4.09Å; P349-K352 WeakPolarHBondContact O-CB 3.25Å
350G96.8Very high97.1Very high4 Ų439.9 Ų39.94%0.04120%0.204CC..THydrogen-bonded Turntrans-65.1145.8177.100000113.3S299 F301 R303 S305 K352S299-G350 WeakPolarHBondContact OG-CA 3.24Å; F301-G350 VanDerWaalsContact CE2-N 3.31Å; R303-G350 WeakPolarHBondContact CA-O 3.37Å; R303-G350 WeakPolarHBondContact CG-O 3.35Å; S305-G350 PolarHBondContact O-N 2.9Å; G350-K352 VanDerWaalsContact C-N 3.29Å; G350-K352 PolarHBondContact O-N 3.48Å
351G95.6Very high97Very high45 Ų4539 Ų3946%0.46420%0.203SC..THydrogen-bonded Turntrans72.120.1-179.700000114.3S299S299-G351 VanDerWaalsContact O-CA 3.23Å; S299-G351 WeakPolarHBondContact O-CA 3.21Å; S299-G351 PolarHBondContact O-N 3.19Å; S299-G351 PolarHBondContact OG-N 2.99Å; S299-G351 VanDerWaalsContact OG-N 3.09Å
352K96.8Very high96.7Very high113 Ų11339.8 Ų39.849%0.49121%0.207SC..  trans-104.5158.5174.9-70.7-68.4-174.1175.50110.3S299 F348 P349 G350 Y354S299-K352 PolarHBondContact N-O 3.28Å; S299-K352 PolarHBondContact OG-N 3.4Å; S299-K352 PolarHBondContact OG-O 3.18Å; S299-K352 VanDerWaalsContact OG-O 3.14Å; F348-K352 HydrophobicContact CD2-CB 4.22Å; F348-K352 HydrophobicContact CE2-CB 3.86Å; P349-K352 HydrophobicContact CB-CG 4.09Å; P349-K352 WeakPolarHBondContact O-CB 3.25Å; G350-K352 VanDerWaalsContact C-N 3.29Å; G350-K352 PolarHBondContact O-N 3.48Å; K352-Y354 HydrophobicContact CB-CE1 4.36Å
353E96.9Very high96.2Very high79 Ų7942 Ų4237%0.36922%0.221SC..EExtended strand (participates in β ladder)trans-134.7131.9177-178-176.4122.400108.4K296 A297 K298K296-E353 HydrophobicContact CD-CG 4.18Å; K296-E353 VanDerWaalsContact CD-OE1 3.24Å; K296-E353 WeakPolarHBondContact CD-OE1 3.36Å; K296-E353 WeakPolarHBondContact CE-OE1 3.49Å; K296-E353 WeakPolarHBondContact CE-OE2 3.12Å; K296-E353 HydrophobicContact CG-CG 3.86Å; K296-E353 IonicContact NZ-OE1 3.22Å; K296-E353 PolarHBondContact NZ-OE1 3.23Å; K296-E353 IonicContact NZ-OE2 3.51Å; K296-E353 PolarHBondContact NZ-OE2 2.92Å; A297-E353 VanDerWaalsContact O-CA 3.32Å; A297-E353 WeakPolarHBondContact O-CA 3.48Å; K298-E353 WeakPolarHBondContact CE-OE2 3.08Å; K298-E353 HydrophobicContact CG-CB 4.23Å; K298-E353 HydrophobicContact CG-CG 3.76Å
354Y97.8Very high95.6Very high32 Ų3246.5 Ų46.513%0.12525%0.253CS..EExtended strand (participates in β ladder)trans-127.2151.4177.5-60.3-38.5000110K296 A297 V329 I345 F348 K352K296-Y354 WeakPolarHBondContact CA-O 3.32Å; A297-Y354 PolarHBondContact N-O 2.66Å; A297-Y354 PolarHBondContact O-N 3.22Å; V329-Y354 HydrophobicContact CB-CD1 4Å; V329-Y354 HydrophobicContact CB-CD2 4.13Å; V329-Y354 HydrophobicContact CB-CE1 4.14Å; V329-Y354 HydrophobicContact CB-CE2 4.2Å; V329-Y354 HydrophobicContact CB-CG 4.01Å; V329-Y354 HydrophobicContact CG1-CD2 4.4Å; V329-Y354 HydrophobicContact CG1-CE2 4.07Å; V329-Y354 HydrophobicContact CG2-CD1 3.63Å; V329-Y354 HydrophobicContact CG2-CE1 3.54Å; V329-Y354 HydrophobicContact CG2-CE2 4.43Å; V329-Y354 HydrophobicContact CG2-CG 4.18Å; I345-Y354 HydrophobicContact CD1-CD2 4.05Å; I345-Y354 HydrophobicContact CG2-CD2 4.28Å; I345-Y354 HydrophobicContact CG2-CE2 4.11Å; F348-Y354 AromaticContact CD2-CD2 3.75Å; F348-Y354 HydrophobicContact CD2-CD2 3.75Å; F348-Y354 AromaticContact CD2-CE2 3.39Å; F348-Y354 HydrophobicContact CD2-CE2 3.39Å; F348-Y354 HydrophobicContact CE1-CD2 4.32Å; F348-Y354 AromaticContact CE2-CD2 3.51Å; F348-Y354 HydrophobicContact CE2-CD2 3.51Å; F348-Y354 AromaticContact CE2-CE2 3.57Å; F348-Y354 HydrophobicContact CE2-CE2 3.57Å; F348-Y354 HydrophobicContact CE2-CG 4.32Å; F348-Y354 HydrophobicContact CG-CD2 4.25Å; F348-Y354 HydrophobicContact CG-CE2 4.01Å; F348-Y354 AromaticContact CZ-CD2 3.83Å; F348-Y354 HydrophobicContact CZ-CD2 3.83Å; F348-Y354 HydrophobicContact CZ-CE2 4.33Å; K352-Y354 HydrophobicContact CB-CE1 4.36Å
355L97.4Very high94.9Very high69 Ų6950.5 Ų50.536%0.36128%0.276SS..EExtended strand (participates in β ladder)trans-122.1143.9179.6-66.595.4000110.7I295 K296 T328I295-L355 CarbonylContact O-C 3.6Å; I295-L355 WeakPolarHBondContact O-CA 3.4Å; K296-L355 HydrophobicContact CB-CG 4.4Å; K296-L355 HydrophobicContact CD-CD2 4.39Å; K296-L355 HydrophobicContact CD-CG 4.45Å; K296-L355 HydrophobicContact CG-CG 4.4Å; T328-L355 HydrophobicContact CG2-CB 4.05Å; T328-L355 HydrophobicContact CG2-CD1 4.49Å; T328-L355 PolarHBondContact N-O 3.5Å; T328-L355 PolarHBondContact OG1-N 3.49Å; T328-L355 PolarHBondContact OG1-O 2.82Å
356M97.5Very high94Very high2 Ų256.7 Ų56.71%0.0131%0.305CS..EExtended strand (participates in β ladder)trans-132.6132.9172.4-176.6-80.2-7600108.4I295 I314 K326 T327 V332 I341 W343 A358I295-M356 HydrophobicContact CB-CE 4.06Å; I295-M356 HydrophobicContact CD1-CE 3.51Å; I295-M356 HydrophobicContact CG1-CE 3.93Å; I295-M356 PolarHBondContact N-O 3.27Å; I295-M356 PolarHBondContact O-N 2.81Å; I314-M356 HydrophobicContact CD1-CE 3.75Å; K326-M356 CarbonylContact O-C 3.58Å; K326-M356 WeakPolarHBondContact O-CA 3.03Å; T327-M356 HydrophobicContact CG2-CB 4.1Å; T327-M356 HydrophobicContact CG2-CG 3.55Å; V332-M356 HydrophobicContact CG2-CG 3.68Å; V332-M356 HydrophobicContact CG2-SD 4.32Å; I341-M356 HydrophobicContact CD1-CE 3.62Å; I341-M356 HydrophobicContact CD1-SD 4.47Å; W343-M356 HydrophobicContact CD2-CB 3.78Å; W343-M356 HydrophobicContact CD2-CG 4.16Å; W343-M356 HydrophobicContact CE3-CB 3.77Å; W343-M356 HydrophobicContact CE3-CG 4.46Å; W343-M356 HydrophobicContact CG-CB 4.42Å; W343-M356 HydrophobicContact CG-CG 4.29Å; W343-M356 HydrophobicContact CH2-CB 4.02Å; W343-M356 HydrophobicContact CZ2-CB 4.02Å; W343-M356 HydrophobicContact CZ3-CB 3.89Å; M356-A358 HydrophobicContact SD-CB 3.85Å
357R97Very high93.2Very high120 Ų12051.5 Ų51.545%0.45329%0.293SS..EExtended strand (participates in β ladder)trans-116.6128169.4-169176.9-178.3-177.71.7108.9E292 Y293 F325 K326E292-R357 IonicContact OE1-NH2 3.28Å; E292-R357 IonicContact OE2-CZ 3.63Å; E292-R357 IonicContact OE2-NE 2.73Å; E292-R357 PolarHBondContact OE2-NE 2.86Å; E292-R357 IonicContact OE2-NH2 3.41Å; E292-R357 PolarHBondContact OE2-NH2 3.19Å; Y293-R357 CarbonylContact O-C 3.59Å; Y293-R357 VanDerWaalsContact O-CA 3.24Å; Y293-R357 WeakPolarHBondContact O-CA 3.47Å; F325-R357 CarbonylContact C-O 3.57Å; F325-R357 WeakPolarHBondContact CA-O 3.12Å; K326-R357 HydrophobicContact CB-CB 4.5Å; K326-R357 PolarHBondContact N-O 2.95Å; K326-R357 PolarHBondContact O-N 3.04Å
358A96.6Very high92.2Very high0 Ų058 Ų580%032%0.317CS..EExtended strand (participates in β ladder)trans-116.7146.1170.900000109.9E292 Y293 K324 F325 I341 M356 F360E292-A358 CarbonylContact C-O 3.59Å; E292-A358 WeakPolarHBondContact CA-O 3.14Å; Y293-A358 HydrophobicContact CD2-CB 4.41Å; Y293-A358 PolarHBondContact N-O 2.75Å; Y293-A358 PolarHBondContact O-N 2.92Å; K324-A358 CarbonylContact O-C 3.59Å; K324-A358 WeakPolarHBondContact O-CA 3.27Å; F325-A358 HydrophobicContact CD1-CB 3.59Å; F325-A358 HydrophobicContact CE1-CB 3.71Å; I341-A358 HydrophobicContact CD1-CB 3.94Å; M356-A358 HydrophobicContact SD-CB 3.85Å; A358-F360 HydrophobicContact CB-CD2 4.41Å; A358-F360 HydrophobicContact CB-CE2 3.94Å
359H96.4Very high91.3Very high47 Ų4764.7 Ų64.722%0.21835%0.353CS..EExtended strand (participates in β ladder)trans-132.9132.3173.4173.6-62.9000108.2R290 E292 P323 K324R290-H359 WeakPolarHBondContact CD-NE2 3.38Å; E292-H359 HydrophobicContact CG-CB 4.47Å; E292-H359 IonicContact OE1-CD2 3.41Å; E292-H359 PolarHBondContact OE1-CD2 2.91Å; P323-H359 CarbonylContact C-O 3.59Å; K324-H359 HydrophobicContact CB-CB 4.29Å; K324-H359 PolarHBondContact N-O 3.19Å; K324-H359 PolarHBondContact O-N 3.27Å
360F95.6Very high90.3Very high0 Ų073 Ų730%039%0.385CS..EExtended strand (participates in β ladder)trans-128.1148.5175.4-71.9-94.2000110R290 I291 Y293 V316 A320 D321 P323 F325 W334 I341 A358R290-F360 CarbonylContact C-O 3.51Å; R290-F360 WeakPolarHBondContact CA-O 3.34Å; R290-F360 WeakPolarHBondContact CB-O 3.49Å; I291-F360 HydrophobicContact CG2-CB 3.66Å; I291-F360 HydrophobicContact CG2-CG 4.47Å; I291-F360 PolarHBondContact N-O 3.35Å; I291-F360 PolarHBondContact O-N 3.13Å; Y293-F360 HydrophobicContact CD2-CD2 4.32Å; Y293-F360 HydrophobicContact CE2-CD2 4.28Å; V316-F360 HydrophobicContact CG1-CE2 3.94Å; V316-F360 HydrophobicContact CG1-CZ 4.17Å; A320-F360 HydrophobicContact CB-CB 4.07Å; A320-F360 HydrophobicContact CB-CD1 3.79Å; A320-F360 HydrophobicContact CB-CG 4.12Å; D321-F360 CarbonylContact O-C 3.59Å; D321-F360 WeakPolarHBondContact O-CA 3.4Å; D321-F360 WeakPolarHBondContact O-CD1 3.32Å; P323-F360 HydrophobicContact CB-CD1 4.08Å; P323-F360 HydrophobicContact CB-CE1 3.56Å; P323-F360 HydrophobicContact CB-CZ 3.99Å; P323-F360 HydrophobicContact CG-CE1 4.48Å; F325-F360 AromaticContact CE1-CE2 3.87Å; F325-F360 HydrophobicContact CE1-CE2 3.87Å; F325-F360 AromaticContact CE1-CZ 3.75Å; F325-F360 HydrophobicContact CE1-CZ 3.75Å; F325-F360 HydrophobicContact CZ-CE2 4.36Å; F325-F360 AromaticContact CZ-CZ 3.76Å; F325-F360 HydrophobicContact CZ-CZ 3.76Å; W334-F360 AromaticContact CD1-CE1 3.88Å; W334-F360 HydrophobicContact CD2-CE1 4.26Å; W334-F360 HydrophobicContact CG-CE1 4.15Å; W334-F360 HydrophobicContact CG-CZ 4.43Å; W334-F360 AromaticContact NE1-CE1 3.79Å; I341-F360 HydrophobicContact CG2-CE2 3.97Å; I341-F360 HydrophobicContact CG2-CZ 3.45Å; I341-F360 VanDerWaalsContact CG2-CZ 3.45Å; A358-F360 HydrophobicContact CB-CD2 4.41Å; A358-F360 HydrophobicContact CB-CE2 3.94Å
361G93.6Very high89.4Confident11 Ų1176.9 Ų76.911%0.11340%0.402CS..EExtended strand (participates in β ladder)trans-77151.1162.800000110.1A320 D321A320-G361 WeakPolarHBondContact CA-O 3.28Å; D321-G361 PolarHBondContact N-O 2.93Å; D321-G361 PolarHBondContact O-N 3.1Å; D321-G361 VanDerWaalsContact OD1-CA 3.25Å; D321-G361 WeakPolarHBondContact OD1-CA 3.45Å
362L91.2Very high88.6Confident17 Ų1777.7 Ų77.79%0.08941%0.411CS..  trans-118.7146.4168.6-72.1177000109.2K285 S289 I291 P317K285-L362 HydrophobicContact CD-CD1 4.46Å; K285-L362 HydrophobicContact CG-CD1 4.04Å; S289-L362 PolarHBondContact O-N 3.2Å; I291-L362 HydrophobicContact CB-CD1 4.06Å; I291-L362 HydrophobicContact CB-CG 4.33Å; I291-L362 HydrophobicContact CG2-CD1 4.38Å; I291-L362 HydrophobicContact CG2-CD2 4.16Å; I291-L362 HydrophobicContact CG2-CG 4.15Å; P317-L362 HydrophobicContact CB-CD2 4.12Å; P317-L362 HydrophobicContact CG-CD2 4.11Å
363P88.6Confident88Confident49 Ų4979.2 Ų79.232%0.31842%0.418SS..  trans-59.9152.1174.9-2031.8000111.8H288 D319 V365H288-P363 WeakPolarHBondContact CA-O 3.22Å; D319-P363 HydrophobicContact CB-CG 3.82Å; D319-P363 WeakPolarHBondContact O-CD 3.38Å; D319-P363 WeakPolarHBondContact O-CG 3.3Å; D319-P363 WeakPolarHBondContact OD2-CD 3Å; P363-V365 VanDerWaalsContact C-N 3.25Å; P363-V365 PolarHBondContact O-N 3.1Å
364S84.3Confident87.7Confident94 Ų9478.8 Ų78.866%0.65742%0.422SS*.SBendtrans-73.7-18.4174.553.30000113.1H288H288-S364 PolarHBondContact ND1-O 3.02Å
365V84.3Confident87.6Confident111 Ų11179 Ų7967%0.67343%0.427SS*.SBendtrans-102129.5177-176.40000108.5P363P363-V365 VanDerWaalsContact C-N 3.25Å; P363-V365 PolarHBondContact O-N 3.1Å
366E78.9Confident87.6Confident131 Ų13175.8 Ų75.861%0.61241%0.41SS*.PPolyproline II helixtrans-72.9142.3176.3-86.8173.7176.600111.3H288H288-E366 VanDerWaalsContact CE1-CG 3.42Å; H288-E366 WeakPolarHBondContact CE1-CG 3.45Å; H288-E366 IonicContact CE1-OE1 2.76Å; H288-E366 IonicContact NE2-OE1 3.94Å; H288-E366 PolarHBondContact NE2-OE1 3.32Å
367A78.5Confident87.5Confident61 Ų6177.6 Ų77.650%0.50442%0.423SS..PPolyproline II helixtrans-66.5143.4168.900000110.8D369A367-D369 VanDerWaalsContact C-N 3.33Å
368E76.9Confident87.5Confident200 Ų20071.9 Ų71.994%0.93540%0.401SS*.SBendtrans-69.9-32.2-179.8-65.6-17516800112.1
369D78.2Confident87.6Confident140 Ų14076.4 Ų76.475%0.74942%0.421SS*.SBendtrans-98.8136.5-178.1-69.5-43000112.7A367 E371A367-D369 VanDerWaalsContact C-N 3.33Å; D369-E371 PolarHBondContact O-N 3.26Å
370K76.6Confident87.6Confident208 Ų20874.5 Ų74.590%0.90441%0.412SS*.  trans-77.8115.2172.5-71.9-177.9-179.2174.60109.8
371E78.4Confident87.7Confident85 Ų8578.3 Ų78.340%0.39743%0.43SS..  trans-63.8146.1170.4-69177.4-169.300111.9P317 T318 D369P317-E371 WeakPolarHBondContact CA-OE2 3.46Å; T318-E371 WeakPolarHBondContact CB-OE1 3.42Å; T318-E371 HydrophobicContact CG2-CG 4.44Å; T318-E371 WeakPolarHBondContact CG2-OE1 3.37Å; T318-E371 PolarHBondContact N-OE1 2.84Å; T318-E371 VanDerWaalsContact N-OE1 3.11Å; T318-E371 PolarHBondContact N-OE2 2.81Å; T318-E371 PolarHBondContact OG1-OE1 3.32Å; D369-E371 PolarHBondContact O-N 3.26Å
372G80.1Confident87.9Confident63 Ų6377.8 Ų77.865%0.64942%0.424SS*.  trans-61.6161.4166.700000111P374G372-P374 VanDerWaalsContact O-CD 3.23Å; G372-P374 WeakPolarHBondContact O-CD 3.22Å
373K83.6Confident88.2Confident145 Ų14578.6 Ų78.663%0.6343%0.431SS*.  trans-108.885.8171.6-65.7-175.2177.1-171.10109.3Q423K373-Q423 PolarHBondContact NZ-O 3.14Å; K373-Q423 PolarHBondContact NZ-OXT 2.73Å
374P91.2Very high88.5Confident70 Ų7085.3 Ų85.346%0.45545%0.451SS..PPolyproline II helixtrans-62.2148.3174.5-12.625.5000109.8P315 G372P315-P374 HydrophobicContact CB-CB 4.25Å; P315-P374 HydrophobicContact CB-CG 4.13Å; P315-P374 HydrophobicContact CG-CB 3.7Å; P315-P374 HydrophobicContact CG-CG 4.13Å; P315-P374 WeakPolarHBondContact CG-O 3.28Å; G372-P374 VanDerWaalsContact O-CD 3.23Å; G372-P374 WeakPolarHBondContact O-CD 3.22Å
375P94.8Very high88.9Confident37 Ų3782 Ų8224%0.2443%0.425CS..PPolyproline II helixtrans-71.8155.9173.130.3-33.4000111S377 Q419 L420 R421P375-S377 PolarHBondContact O-N 3.11Å; P375-Q419 HydrophobicContact CB-CB 4.03Å; P375-Q419 HydrophobicContact CG-CB 3.95Å; P375-Q419 HydrophobicContact CG-CG 4.07Å; P375-L420 CarbonylContact C-O 3.53Å; P375-L420 WeakPolarHBondContact CA-O 3.38Å; P375-L420 WeakPolarHBondContact CB-O 3.48Å; P375-R421 HydrophobicContact CB-CG 4.3Å
376I96.4Very high89.4Confident1 Ų178.1 Ų78.11%0.00540%0.402CS..EExtended strand (participates in β ladder)trans-64132.8164.6-70.1165.3000108I279 I312 H313 I314 V378 Q419 L420 T422I279-I376 HydrophobicContact CG2-CD1 4.37Å; I279-I376 HydrophobicContact CG2-CG2 4.39Å; I312-I376 HydrophobicContact CG2-CG2 3.97Å; H313-I376 VanDerWaalsContact O-CA 3.32Å; H313-I376 WeakPolarHBondContact O-CA 3.3Å; H313-I376 WeakPolarHBondContact O-CG2 3.31Å; I314-I376 HydrophobicContact CB-CG1 4.36Å; I314-I376 HydrophobicContact CG1-CD1 4.32Å; I314-I376 HydrophobicContact CG1-CG1 4.09Å; I314-I376 HydrophobicContact CG1-CG2 4.27Å; I314-I376 HydrophobicContact CG2-CD1 4.37Å; I314-I376 HydrophobicContact CG2-CG1 4.15Å; I376-V378 HydrophobicContact CG2-CG2 4.49Å; I376-Q419 CarbonylContact O-C 3.59Å; I376-Q419 WeakPolarHBondContact O-CA 3.49Å; I376-L420 HydrophobicContact CB-CB 4.43Å; I376-L420 PolarHBondContact N-O 3.41Å; I376-L420 PolarHBondContact O-N 3.27Å; I376-T422 HydrophobicContact CD1-CG2 3.6Å; I376-T422 HydrophobicContact CG1-CG2 3.56Å
377S96.9Very high90Very high39 Ų3973 Ų7327%0.27338%0.379SS..EExtended strand (participates in β ladder)trans-116.7150.3172.670.40000111.6H313 P375 Y418H313-S377 WeakPolarHBondContact CB-OG 3.27Å; H313-S377 PolarHBondContact N-O 2.68Å; H313-S377 PolarHBondContact O-N 3.18Å; P375-S377 PolarHBondContact O-N 3.11Å; S377-Y418 VanDerWaalsContact CA-O 3.28Å; S377-Y418 WeakPolarHBondContact CA-O 3.25Å
378V97.2Very high90.7Very high1 Ų170.9 Ų70.91%0.00636%0.361CS..EExtended strand (participates in β ladder)trans-128.7124.5-178.8-170.60000110I277 I279 V310 E311 I312 I376 F380 N415 Y418 L420I277-V378 HydrophobicContact CD1-CG1 4.48Å; I277-V378 HydrophobicContact CG2-CG1 4.39Å; I279-V378 HydrophobicContact CD1-CG2 4.25Å; I279-V378 HydrophobicContact CG1-CG2 3.73Å; V310-V378 HydrophobicContact CG1-CG1 3.93Å; E311-V378 CarbonylContact O-C 3.6Å; E311-V378 WeakPolarHBondContact O-CA 3.47Å; I312-V378 HydrophobicContact CG1-CG1 3.98Å; I312-V378 HydrophobicContact CG1-CG2 4.3Å; I312-V378 HydrophobicContact CG2-CG2 4.33Å; I376-V378 HydrophobicContact CG2-CG2 4.49Å; V378-F380 HydrophobicContact CG1-CD1 4.16Å; V378-N415 VanDerWaalsContact O-CB 3.23Å; V378-N415 WeakPolarHBondContact O-CB 3.44Å; V378-Y418 HydrophobicContact CB-CD1 3.72Å; V378-Y418 HydrophobicContact CB-CE1 4.16Å; V378-Y418 HydrophobicContact CG2-CD1 3.97Å; V378-Y418 HydrophobicContact CG2-CE1 4.16Å; V378-Y418 PolarHBondContact N-O 3.2Å; V378-Y418 VanDerWaalsContact N-O 3.16Å; V378-L420 HydrophobicContact CG2-CD1 4.13Å
379K97.8Very high91.4Very high94 Ų9461.4 Ų61.441%0.40932%0.317SS..EExtended strand (participates in β ladder)trans-97.5136.2167.7-58.9179.1-175.1167.70109.7V310 E311 H313 N415V310-K379 CarbonylContact C-O 3.59Å; V310-K379 VanDerWaalsContact CA-O 3.22Å; V310-K379 WeakPolarHBondContact CA-O 3.49Å; E311-K379 HydrophobicContact CB-CB 4.22Å; E311-K379 PolarHBondContact N-O 2.85Å; E311-K379 PolarHBondContact O-N 3.03Å; H313-K379 WeakPolarHBondContact NE2-CE 3.48Å; K379-N415 VanDerWaalsContact CA-OD1 3.26Å; K379-N415 WeakPolarHBondContact CA-OD1 3.31Å
380F97.2Very high92.1Very high7 Ų754.8 Ų54.83%0.03128%0.281CS..EExtended strand (participates in β ladder)trans-159.5157177.164-92.8000110.9V179 L276 I277 A307 V310 V378 I382 T413 Q414 N415 Y418V179-F380 HydrophobicContact CB-CZ 4.41Å; L276-F380 HydrophobicContact CD1-CE2 3.83Å; L276-F380 HydrophobicContact CD1-CZ 4Å; I277-F380 HydrophobicContact CD1-CB 3.7Å; I277-F380 HydrophobicContact CD1-CD1 3.97Å; I277-F380 HydrophobicContact CD1-CD2 4.46Å; I277-F380 HydrophobicContact CD1-CG 3.79Å; A307-F380 HydrophobicContact CB-CB 4.48Å; V310-F380 HydrophobicContact CG1-CB 4.37Å; V310-F380 HydrophobicContact CG2-CB 3.91Å; V378-F380 HydrophobicContact CG1-CD1 4.16Å; F380-I382 HydrophobicContact CD2-CD1 4.31Å; F380-I382 HydrophobicContact CD2-CG1 4.02Å; F380-I382 HydrophobicContact CE2-CD1 4.37Å; F380-I382 HydrophobicContact CE2-CG1 4.42Å; F380-T413 HydrophobicContact CE2-CG2 4.38Å; F380-Q414 VanDerWaalsContact O-CA 3.25Å; F380-Q414 WeakPolarHBondContact O-CA 3.2Å; F380-N415 HydrophobicContact CD1-CB 3.92Å; F380-N415 HydrophobicContact CE1-CB 3.72Å; F380-N415 HydrophobicContact CZ-CB 4.29Å; F380-N415 PolarHBondContact N-OD1 3.39Å; F380-N415 VanDerWaalsContact N-OD1 3.1Å; F380-N415 PolarHBondContact O-N 3.01Å; F380-N415 PolarHBondContact O-OD1 3.45Å; F380-Y418 HydrophobicContact CE1-CD1 4.47Å; F380-Y418 AromaticContact CE1-CD2 3.7Å; F380-Y418 HydrophobicContact CE1-CD2 3.7Å; F380-Y418 AromaticContact CE1-CE2 3.81Å; F380-Y418 HydrophobicContact CE1-CE2 3.81Å; F380-Y418 HydrophobicContact CE1-CG 4.03Å; F380-Y418 HydrophobicContact CZ-CD2 4.2Å; F380-Y418 HydrophobicContact CZ-CE2 4.16Å
381E97.4Very high93Very high80 Ų8049.4 Ų49.437%0.37426%0.259SS..EExtended strand (participates in β ladder)trans-135.9127.8171.4-170.1-170.6120.900110.3A307 N308 I412 T413A307-E381 CarbonylContact C-O 3.58Å; A307-E381 WeakPolarHBondContact CA-O 3.42Å; N308-E381 PolarHBondContact N-O 2.56Å; N308-E381 PolarHBondContact O-N 3.31Å; E381-I412 HydrophobicContact CG-CG2 3.64Å; E381-T413 CarbonylContact C-O 3.56Å; E381-T413 WeakPolarHBondContact CA-O 3.06Å
382I97.4Very high93.7Very high0 Ų046.6 Ų46.60%025%0.248CC..EExtended strand (participates in β ladder)trans-117.2103.3176.8-48.4-178.8000108.1L276 F301 A307 F380 F385 T413L276-I382 HydrophobicContact CD1-CD1 4.11Å; F301-I382 HydrophobicContact CD1-CD1 3.79Å; F301-I382 HydrophobicContact CD2-CD1 4.3Å; F301-I382 HydrophobicContact CE1-CD1 3.78Å; F301-I382 HydrophobicContact CE2-CD1 4.27Å; F301-I382 HydrophobicContact CG-CD1 4.06Å; F301-I382 HydrophobicContact CZ-CD1 4.04Å; A307-I382 HydrophobicContact CB-CD1 4.32Å; A307-I382 HydrophobicContact CB-CG1 3.81Å; F380-I382 HydrophobicContact CD2-CD1 4.31Å; F380-I382 HydrophobicContact CD2-CG1 4.02Å; F380-I382 HydrophobicContact CE2-CD1 4.37Å; F380-I382 HydrophobicContact CE2-CG1 4.42Å; I382-F385 HydrophobicContact CB-CB 4.15Å; I382-F385 HydrophobicContact CG2-CB 3.51Å; I382-F385 HydrophobicContact CG2-CD1 4.3Å; I382-F385 HydrophobicContact CG2-CG 3.89Å; I382-T413 PolarHBondContact N-O 3.42Å; I382-T413 PolarHBondContact O-N 3.48Å
383P96.8Very high94.3Very high35 Ų3549.1 Ų49.123%0.22724%0.238CC..EExtended strand (participates in β ladder)trans-74.2155.8177.432.2-36.5000111.4F385P383-F385 PolarHBondContact O-N 3.14Å
384Y94.6Very high94.8Very high190 Ų19046.2 Ų46.275%0.74522%0.224SC*.THydrogen-bonded Turntrans54.533-179.4-47.5-74.4000113.6Y411Y384-Y411 VanDerWaalsContact CA-O 3.25Å; Y384-Y411 WeakPolarHBondContact CA-O 3.18Å; Y384-Y411 PolarHBondContact N-O 3.1Å
385F94.3Very high95Very high25 Ų2544 Ų4411%0.1121%0.208CC..  trans-133.9142.9-176.5-168.7-96.3000111.2L276 F301 K302 S305 I382 P383 T413L276-F385 HydrophobicContact CD2-CE1 3.9Å; L276-F385 HydrophobicContact CD2-CZ 4.31Å; F301-F385 HydrophobicContact CB-CE2 4.49Å; F301-F385 HydrophobicContact CB-CZ 4.14Å; K302-F385 HydrophobicContact CD-CE2 4.48Å; K302-F385 HydrophobicContact CG-CE2 4.47Å; S305-F385 WeakPolarHBondContact OG-CD2 3.18Å; I382-F385 HydrophobicContact CB-CB 4.15Å; I382-F385 HydrophobicContact CG2-CB 3.51Å; I382-F385 HydrophobicContact CG2-CD1 4.3Å; I382-F385 HydrophobicContact CG2-CG 3.89Å; P383-F385 PolarHBondContact O-N 3.14Å; F385-T413 HydrophobicContact CD1-CG2 4.47Å; F385-T413 PolarHBondContact O-OG1 3.01Å
386T93.6Very high95Very high29 Ų2947.7 Ų47.718%0.17822%0.22CC..  trans-129.7133167.353.80000108.8G389 I390 Y411T386-G389 WeakPolarHBondContact OG1-CA 3.28Å; T386-I390 HydrophobicContact CG2-CG2 3.87Å; T386-I390 PolarHBondContact OG1-O 2.83Å; T386-Y411 HydrophobicContact CG2-CD1 3.31Å; T386-Y411 HydrophobicContact CG2-CE1 4.17Å; T386-Y411 HydrophobicContact CG2-CG 3.86Å
387T92.8Very high94.9Very high22 Ų2249.9 Ų49.914%0.13523%0.231CC..SBendtrans-80.4-41.4175.8-52.30000110.2E177 I194 L276 G389 T413E177-T387 WeakPolarHBondContact OE2-CA 3.22Å; E177-T387 WeakPolarHBondContact OE2-CB 3.31Å; E177-T387 PolarHBondContact OE2-N 3.12Å; I194-T387 HydrophobicContact CD1-CG2 3.72Å; L276-T387 HydrophobicContact CD2-CG2 4.29Å; T387-G389 PolarHBondContact O-N 2.93Å; T387-T413 WeakPolarHBondContact OG1-CG2 3.25Å
388S92.4Very high94.8Very high18 Ų1851.7 Ų51.713%0.12624%0.237CC..SBendtrans-66.5-26.7176.977.10000112.5E177 I390E177-S388 WeakPolarHBondContact OE1-CB 3.48Å; E177-S388 PolarHBondContact OE1-N 3.33Å; E177-S388 PolarHBondContact OE1-OG 3.05Å; E177-S388 PolarHBondContact OE2-N 2.85Å; S388-I390 VanDerWaalsContact C-N 3.32Å; S388-I390 VanDerWaalsContact OG-CB 3.31Å; S388-I390 WeakPolarHBondContact OG-CB 3.49Å; S388-I390 WeakPolarHBondContact OG-CG2 3.46Å; S388-I390 PolarHBondContact OG-N 3.18Å
389G91.6Very high94.6Very high1 Ų153.3 Ų53.31%0.0125%0.245CC..  trans77.415.6-17100000114.4N215 T386 T387N215-G389 PolarHBondContact ND2-O 2.81Å; N215-G389 VanDerWaalsContact ND2-O 3.08Å; T386-G389 WeakPolarHBondContact OG1-CA 3.28Å; T387-G389 PolarHBondContact O-N 2.93Å
390I93.9Very high94.1Very high1 Ų158.8 Ų58.81%0.00527%0.269CS..  trans-54.6143.3168.4-166.7166000110.9V175 E177 L214 N215 V231 Y267 T386 S388V175-I390 HydrophobicContact CG1-CG2 3.83Å; E177-I390 VanDerWaalsContact OE1-CG2 3.31Å; E177-I390 WeakPolarHBondContact OE1-CG2 3.44Å; L214-I390 HydrophobicContact CD1-CD1 4.24Å; L214-I390 HydrophobicContact CD2-CD1 4.49Å; L214-I390 HydrophobicContact CD2-CG1 4.43Å; N215-I390 WeakPolarHBondContact OD1-CA 3.49Å; V231-I390 HydrophobicContact CG1-CB 4.2Å; V231-I390 HydrophobicContact CG1-CD1 4.5Å; V231-I390 HydrophobicContact CG1-CG1 4.04Å; Y267-I390 HydrophobicContact CD1-CD1 4.34Å; Y267-I390 HydrophobicContact CD2-CD1 4.49Å; Y267-I390 HydrophobicContact CE1-CD1 3.81Å; Y267-I390 HydrophobicContact CE2-CD1 3.96Å; T386-I390 HydrophobicContact CG2-CG2 3.87Å; T386-I390 PolarHBondContact OG1-O 2.83Å; S388-I390 VanDerWaalsContact C-N 3.32Å; S388-I390 VanDerWaalsContact OG-CB 3.31Å; S388-I390 WeakPolarHBondContact OG-CB 3.49Å; S388-I390 WeakPolarHBondContact OG-CG2 3.46Å; S388-I390 PolarHBondContact OG-N 3.18Å
391Q94.1Very high93.6Very high94 Ų9462.6 Ų62.644%0.43930%0.296SS..  trans-142.2128.3-179.3-66.9-179.6-17.100109.9L214 N215 R393L214-Q391 WeakPolarHBondContact CA-O 3.33Å; N215-Q391 PolarHBondContact N-O 2.98Å; N215-Q391 PolarHBondContact OD1-N 3.24Å; N215-Q391 PolarHBondContact OD1-O 3.33Å; Q391-R393 PolarHBondContact O-N 2.88Å
392V94.4Very high93Very high27 Ų2761.8 Ų61.816%0.16431%0.309CS..EExtended strand (participates in β ladder)trans-74.4109.7165.6178.50000107.9L173 V175 L212 L214 V409 Y411L173-V392 HydrophobicContact CD2-CG1 4.47Å; V175-V392 HydrophobicContact CG2-CG2 3.88Å; L212-V392 HydrophobicContact CD1-CG1 3.63Å; L212-V392 HydrophobicContact CD1-CG2 4.38Å; L214-V392 HydrophobicContact CD2-CG2 4Å; V392-V409 HydrophobicContact CB-CG2 4.34Å; V392-V409 HydrophobicContact CG2-CG2 4.06Å; V392-Y411 PolarHBondContact N-OH 2.92Å
393R92.4Very high92.7Very high115 Ų11564.1 Ų64.143%0.43432%0.318SS..EExtended strand (participates in β ladder)trans-82.4-39.7-178-60.7-172.370-157.9-2.9112.3G213 L214 N215 R225 Q391G213-R393 WeakPolarHBondContact O-CB 3.38Å; G213-R393 PolarHBondContact O-N 2.82Å; L214-R393 WeakPolarHBondContact O-CD 3.45Å; N215-R393 HydrophobicContact CB-CG 4.47Å; R225-R393 VanDerWaalsContact NH1-NH2 3.15Å; Q391-R393 PolarHBondContact O-N 2.88Å
394Y93.7Very high92.3Very high85 Ų8570.7 Ų70.733%0.33335%0.346SS..EExtended strand (participates in β ladder)trans-158.3155.2175.862.3-101.1000110.6G213 K396G213-Y394 PolarHBondContact N-O 2.95Å; G213-Y394 PolarHBondContact O-N 2.92Å; Y394-K396 HydrophobicContact CD2-CD 4.28Å; Y394-K396 HydrophobicContact CD2-CG 3.78Å; Y394-K396 HydrophobicContact CE2-CD 4.17Å; Y394-K396 HydrophobicContact CE2-CG 4.12Å
395L95.3Very high92.1Very high24 Ų2462.4 Ų62.413%0.12632%0.317CS..EExtended strand (participates in β ladder)trans-124.8112.1160.6-175.375.9000107.5V171 L173 M200 L210 R211 L212 F255 I397 P407V171-L395 HydrophobicContact CB-CD2 4.13Å; V171-L395 HydrophobicContact CG1-CD2 3.81Å; V171-L395 HydrophobicContact CG2-CD2 4.41Å; L173-L395 HydrophobicContact CD1-CD2 4Å; M200-L395 HydrophobicContact CE-CD1 4.49Å; M200-L395 HydrophobicContact CE-CD2 4.36Å; L210-L395 HydrophobicContact CB-CD1 4.41Å; L210-L395 HydrophobicContact CD2-CD1 4.15Å; L210-L395 HydrophobicContact CD2-CD2 4.1Å; L210-L395 HydrophobicContact CD2-CG 4.44Å; L210-L395 HydrophobicContact CG-CD1 4.34Å; R211-L395 WeakPolarHBondContact O-CA 3.28Å; L212-L395 HydrophobicContact CB-CD1 4.15Å; L212-L395 HydrophobicContact CD1-CD1 4.07Å; F255-L395 HydrophobicContact CZ-CD1 4.5Å; L395-I397 HydrophobicContact CD2-CD1 4.35Å; L395-I397 HydrophobicContact CD2-CG1 4.32Å; L395-I397 HydrophobicContact CG-CG1 4.44Å; L395-P407 HydrophobicContact CB-CB 4.31Å; L395-P407 HydrophobicContact CD2-CB 4.01Å
396K94.5Very high91.9Very high114 Ų11465.2 Ų65.250%0.49633%0.332SS..EExtended strand (participates in β ladder)trans-89132.3173.5-65.6179.1-178.1-177.90108.5L210 R211 Y394L210-K396 CarbonylContact C-O 3.53Å; L210-K396 VanDerWaalsContact CA-O 3.3Å; L210-K396 WeakPolarHBondContact CA-O 3.36Å; R211-K396 HydrophobicContact CB-CB 4.24Å; R211-K396 PolarHBondContact N-O 3.48Å; R211-K396 PolarHBondContact O-N 3.18Å; Y394-K396 HydrophobicContact CD2-CD 4.28Å; Y394-K396 HydrophobicContact CD2-CG 3.78Å; Y394-K396 HydrophobicContact CE2-CD 4.17Å; Y394-K396 HydrophobicContact CE2-CG 4.12Å
397I95.3Very high91.9Very high46 Ų4667 Ų6724%0.23634%0.344CS..EExtended strand (participates in β ladder)trans-114.3118.5177.1-59.7169.8000106.5V171 L204 P208 L210 L395 Y403 A405V171-I397 HydrophobicContact CG2-CD1 3.98Å; L204-I397 HydrophobicContact CD1-CG2 4.23Å; P208-I397 HydrophobicContact CB-CG2 4.25Å; L210-I397 HydrophobicContact CD1-CG1 4.24Å; L210-I397 HydrophobicContact CD1-CG2 4.17Å; L210-I397 HydrophobicContact CG-CG1 4.2Å; L395-I397 HydrophobicContact CD2-CD1 4.35Å; L395-I397 HydrophobicContact CD2-CG1 4.32Å; L395-I397 HydrophobicContact CG-CG1 4.44Å; I397-Y403 HydrophobicContact CG2-CE2 4.33Å; I397-A405 HydrophobicContact CD1-CB 3.47Å; I397-A405 VanDerWaalsContact CD1-CB 3.47Å; I397-A405 HydrophobicContact CG2-CB 4.47Å
398I94.3Very high92.1Very high77 Ų7772.6 Ų72.640%0.39536%0.363SS..EExtended strand (participates in β ladder)trans-117.5109.8-177.2-54.3170.8000107.4P208 E209 R211P208-I398 CarbonylContact C-O 3.58Å; P208-I398 WeakPolarHBondContact CA-O 3.25Å; E209-I398 HydrophobicContact CB-CB 4.33Å; E209-I398 PolarHBondContact N-O 2.79Å; E209-I398 WeakPolarHBondContact O-CB 3.45Å; E209-I398 PolarHBondContact O-N 3.01Å; R211-I398 HydrophobicContact CG-CD1 4.48Å
399E92.2Very high92.3Very high36 Ų3674.8 Ų74.817%0.16838%0.376CS..  trans-134143.5177.717956-118.300109.8M207 P208 S401 G402 Y403M207-E399 PolarHBondContact N-OE2 2.88Å; P208-E399 WeakPolarHBondContact CA-OE2 3.45Å; P208-E399 HydrophobicContact CB-CB 4.28Å; P208-E399 WeakPolarHBondContact CD-OE2 3.37Å; E399-S401 WeakPolarHBondContact CG-OG 3.42Å; E399-S401 PolarHBondContact O-N 2.88Å; E399-G402 PolarHBondContact O-N 2.76Å; E399-Y403 HydrophobicContact CB-CE1 4Å; E399-Y403 HydrophobicContact CG-CD1 4.1Å; E399-Y403 HydrophobicContact CG-CE1 3.5Å; E399-Y403 VanDerWaalsContact CG-CE1 3.5Å
400K88.6Confident92.5Very high209 Ų20980.3 Ų80.391%0.90940%0.396SS*.THydrogen-bonded Turntrans-62-33.1-175.4-66.6179.1-178.2174.10112.6G402K400-G402 PolarHBondContact O-N 2.92Å
401S86.6Confident92.7Very high87 Ų8782.4 Ų82.461%0.60841%0.405SS*.THydrogen-bonded Turntrans-75.7-11177.860.20000113.7E399 Y403E399-S401 WeakPolarHBondContact CG-OG 3.42Å; E399-S401 PolarHBondContact O-N 2.88Å; S401-Y403 VanDerWaalsContact C-N 3.28Å; S401-Y403 PolarHBondContact O-N 2.55Å; S401-Y403 VanDerWaalsContact OG-CD1 3.26Å; S401-Y403 WeakPolarHBondContact OG-CD1 3.32Å
402G84.9Confident92.8Very high63 Ų6378.8 Ų78.865%0.64939%0.388SS*.  trans65.722.4173.100000115.3E399 K400E399-G402 PolarHBondContact O-N 2.76Å; K400-G402 PolarHBondContact O-N 2.92Å
403Y90.6Very high93Very high49 Ų4977.5 Ų77.519%0.19238%0.38CS..  trans-63.7153.2177.561.5-111.9000112N169 L204 S205 I397 E399 S401 A405N169-Y403 HydrophobicContact CB-CD2 3.76Å; N169-Y403 HydrophobicContact CB-CE2 3.69Å; L204-Y403 HydrophobicContact CD2-CE2 4.03Å; S205-Y403 WeakPolarHBondContact O-CE1 3.41Å; S205-Y403 PolarHBondContact O-OH 3.34Å; I397-Y403 HydrophobicContact CG2-CE2 4.33Å; E399-Y403 HydrophobicContact CB-CE1 4Å; E399-Y403 HydrophobicContact CG-CD1 4.1Å; E399-Y403 HydrophobicContact CG-CE1 3.5Å; E399-Y403 VanDerWaalsContact CG-CE1 3.5Å; S401-Y403 VanDerWaalsContact C-N 3.28Å; S401-Y403 PolarHBondContact O-N 2.55Å; S401-Y403 VanDerWaalsContact OG-CD1 3.26Å; S401-Y403 WeakPolarHBondContact OG-CD1 3.32Å; Y403-A405 HydrophobicContact CD2-CB 4.1Å; Y403-A405 HydrophobicContact CE2-CB 3.9Å
404Q87.9Confident93.2Very high172 Ų17275.2 Ų75.280%0.80437%0.374SS*.  trans-82.3133.8168.5-167.7176.46.500109.8
405A90.9Very high93.3Very high17 Ų1773.2 Ų73.214%0.1437%0.37CS..  trans-125.6150.5174.500000110.7N169 L204 I397 Y403 P407N169-A405 HydrophobicContact CB-CB 3.86Å; N169-A405 VanDerWaalsContact O-CA 3.28Å; N169-A405 WeakPolarHBondContact O-CA 3.45Å; L204-A405 HydrophobicContact CD2-CB 3.77Å; I397-A405 HydrophobicContact CD1-CB 3.47Å; I397-A405 VanDerWaalsContact CD1-CB 3.47Å; I397-A405 HydrophobicContact CG2-CB 4.47Å; Y403-A405 HydrophobicContact CD2-CB 4.1Å; Y403-A405 HydrophobicContact CE2-CB 3.9Å; A405-P407 WeakPolarHBondContact O-CD 3.39Å
406L90.8Very high93.2Very high83 Ų8373.2 Ų73.244%0.43538%0.375SS..EExtended strand (participates in β ladder)trans-106.3107.6-176.3-63.1174.5000110.4N169 V171N169-L406 PolarHBondContact O-N 2.81Å; N169-L406 VanDerWaalsContact O-N 3.1Å; V171-L406 PolarHBondContact N-O 3.41Å
407P93.6Very high93.2Very high66 Ų6672.9 Ų72.943%0.42938%0.379SS..EExtended strand (participates in β ladder)trans-84.1131.4172.432.5-32.3000111.1V171 L395 A405V171-P407 CarbonylContact O-C 3.56Å; V171-P407 WeakPolarHBondContact O-CA 3.39Å; L395-P407 HydrophobicContact CB-CB 4.31Å; L395-P407 HydrophobicContact CD2-CB 4.01Å; A405-P407 WeakPolarHBondContact O-CD 3.39Å
408W95.9Very high93.3Very high140 Ų14070.9 Ų70.953%0.5337%0.368SS..EExtended strand (participates in β ladder)trans-116.4143.5174.2-61.493.4000109.2V171 F172 L173V171-W408 PolarHBondContact O-N 2.86Å; F172-W408 CarbonylContact C-O 3.51Å; F172-W408 HydrophobicContact CD1-CB 3.64Å; F172-W408 AromaticContact CD1-CD1 3.78Å; F172-W408 AromaticContact CD1-CG 3.86Å; F172-W408 HydrophobicContact CD1-CG 3.86Å; F172-W408 HydrophobicContact CE1-CB 4.1Å; F172-W408 AromaticContact CE1-CD1 3.43Å; F172-W408 VanDerWaalsContact CE1-CD1 3.43Å; F172-W408 AromaticContact CE1-CG 3.79Å; F172-W408 HydrophobicContact CE1-CG 3.79Å; F172-W408 HydrophobicContact CG-CB 4.45Å; F172-W408 AromaticContact CZ-CD1 4Å; L173-W408 WeakPolarHBondContact CD1-O 3.46Å; L173-W408 PolarHBondContact N-O 2.74Å
409V96.5Very high93.3Very high64 Ų6470.7 Ų70.739%0.38837%0.366SS..EExtended strand (participates in β ladder)trans-135.7136.5174.362.10000110.2L173 V175 V392 Y411L173-V409 HydrophobicContact CB-CB 4.21Å; L173-V409 HydrophobicContact CB-CG2 4.07Å; L173-V409 CarbonylContact O-C 3.58Å; L173-V409 VanDerWaalsContact O-CA 3.29Å; L173-V409 WeakPolarHBondContact O-CA 3.27Å; V175-V409 HydrophobicContact CG2-CG2 4.07Å; V392-V409 HydrophobicContact CB-CG2 4.34Å; V392-V409 HydrophobicContact CG2-CG2 4.06Å; V409-Y411 HydrophobicContact CG1-CE2 4.12Å; V409-Y411 HydrophobicContact CG2-CE1 4.25Å; V409-Y411 HydrophobicContact CG2-CE2 3.89Å
410R96.4Very high93.4Very high117 Ų11769.4 Ų69.444%0.44236%0.36SS..EExtended strand (participates in β ladder)trans-127.3154.9164.762.8175.8178.5167.75.2110.2L173 D174 V175L173-R410 PolarHBondContact O-N 2.78Å; D174-R410 WeakPolarHBondContact OD1-CD 3.48Å; D174-R410 WeakPolarHBondContact OD1-CG 3.49Å; D174-R410 IonicContact OD1-CZ 2.77Å; D174-R410 IonicContact OD1-NE 3.39Å; D174-R410 PolarHBondContact OD1-NE 3.35Å; D174-R410 IonicContact OD1-NH2 2.9Å; D174-R410 IonicContact OD2-CZ 2.66Å; D174-R410 IonicContact OD2-NE 3.49Å; D174-R410 PolarHBondContact OD2-NE 2.76Å; D174-R410 IonicContact OD2-NH2 3.42Å; D174-R410 PolarHBondContact OD2-NH2 2.89Å; V175-R410 PolarHBondContact N-O 3.38Å
411Y97.8Very high93.6Very high46 Ų4666 Ų6618%0.1834%0.341CS..EExtended strand (participates in β ladder)trans-119132.2-178.4-60.4-86.5000108.3V175 Y384 T386 V392 V409V175-Y411 HydrophobicContact CB-CD1 3.57Å; V175-Y411 HydrophobicContact CB-CE1 3.91Å; V175-Y411 HydrophobicContact CB-CG 4.47Å; V175-Y411 HydrophobicContact CG1-CD1 3.76Å; V175-Y411 HydrophobicContact CG1-CE1 4.08Å; V175-Y411 HydrophobicContact CG2-CD1 4.02Å; V175-Y411 HydrophobicContact CG2-CE1 3.83Å; V175-Y411 CarbonylContact O-C 3.52Å; V175-Y411 WeakPolarHBondContact O-CA 3.31Å; Y384-Y411 VanDerWaalsContact CA-O 3.25Å; Y384-Y411 WeakPolarHBondContact CA-O 3.18Å; Y384-Y411 PolarHBondContact N-O 3.1Å; T386-Y411 HydrophobicContact CG2-CD1 3.31Å; T386-Y411 HydrophobicContact CG2-CE1 4.17Å; T386-Y411 HydrophobicContact CG2-CG 3.86Å; V392-Y411 PolarHBondContact N-OH 2.92Å; V409-Y411 HydrophobicContact CG1-CE2 4.12Å; V409-Y411 HydrophobicContact CG2-CE1 4.25Å; V409-Y411 HydrophobicContact CG2-CE2 3.89Å
412I97.3Very high93.5Very high18 Ų1863 Ų639%0.09232%0.319CS..EExtended strand (participates in β ladder)trans-134.4130.6180-56.7174.7000106.8V175 I176 E177 E381V175-I412 PolarHBondContact O-N 3.18Å; I176-I412 CarbonylContact C-O 3.6Å; I176-I412 VanDerWaalsContact CA-O 3.31Å; I176-I412 WeakPolarHBondContact CA-O 3.39Å; E177-I412 PolarHBondContact N-O 3.37Å; E381-I412 HydrophobicContact CG-CG2 3.64Å
413T97.1Very high92.8Very high0 Ų068 Ų680%033%0.326CS..EExtended strand (participates in β ladder)trans-112.7127.9169.4-60.30000108.7E177 V179 L276 F380 E381 I382 F385 T387E177-T413 HydrophobicContact CB-CG2 4.42Å; E177-T413 CarbonylContact O-C 3.54Å; E177-T413 WeakPolarHBondContact O-CA 3.2Å; V179-T413 HydrophobicContact CG2-CG2 3.72Å; L276-T413 HydrophobicContact CD1-CG2 3.69Å; F380-T413 HydrophobicContact CE2-CG2 4.38Å; E381-T413 CarbonylContact C-O 3.56Å; E381-T413 WeakPolarHBondContact CA-O 3.06Å; I382-T413 PolarHBondContact N-O 3.42Å; I382-T413 PolarHBondContact O-N 3.48Å; F385-T413 HydrophobicContact CD1-CG2 4.47Å; F385-T413 PolarHBondContact O-OG1 3.01Å; T387-T413 WeakPolarHBondContact OG1-CG2 3.25Å
414Q96.9Very high92.9Very high66 Ų6668.9 Ų68.931%0.30833%0.332SS..EExtended strand (participates in β ladder)trans-131.2173.6179.664-177.21700110.8I176 E177 S178 V179 F380I176-Q414 HydrophobicContact CG2-CG 4.14Å; E177-Q414 PolarHBondContact O-N 3.3Å; S178-Q414 WeakPolarHBondContact CA-O 3.37Å; S178-Q414 PolarHBondContact OG-NE2 2.99Å; V179-Q414 PolarHBondContact N-O 3.39Å; F380-Q414 VanDerWaalsContact O-CA 3.25Å; F380-Q414 WeakPolarHBondContact O-CA 3.2Å
415N95.1Very high93.1Very high44 Ų4463.5 Ų63.524%0.23531%0.307CS..EExtended strand (participates in β ladder)trans-72141169.565.1-77.5000110.7V378 K379 F380V378-N415 VanDerWaalsContact O-CB 3.23Å; V378-N415 WeakPolarHBondContact O-CB 3.44Å; K379-N415 VanDerWaalsContact CA-OD1 3.26Å; K379-N415 WeakPolarHBondContact CA-OD1 3.31Å; F380-N415 HydrophobicContact CD1-CB 3.92Å; F380-N415 HydrophobicContact CE1-CB 3.72Å; F380-N415 HydrophobicContact CZ-CB 4.29Å; F380-N415 PolarHBondContact N-OD1 3.39Å; F380-N415 VanDerWaalsContact N-OD1 3.1Å; F380-N415 PolarHBondContact O-N 3.01Å; F380-N415 PolarHBondContact O-OD1 3.45Å
416G94.5Very high93.2Very high23 Ų2366.1 Ų66.124%0.23732%0.317CS..EExtended strand (participates in β ladder)trans-97.3-123.4151.400000108.5V179 N180 Y418V179-G416 PolarHBondContact O-N 3.46Å; N180-G416 VanDerWaalsContact OD1-CA 3.25Å; N180-G416 WeakPolarHBondContact OD1-CA 3.25Å; G416-Y418 VanDerWaalsContact C-N 3.34Å; G416-Y418 PolarHBondContact O-N 3.01Å
417D94.5Very high93.4Very high108 Ų10865.1 Ų65.158%0.57831%0.31SS*.EExtended strand (participates in β ladder)trans-76.484170.1-68.6-37.4000110.2N180 L181N180-D417 CarbonylContact C-O 3.57Å; N180-D417 WeakPolarHBondContact CA-O 3.42Å; N180-D417 PolarHBondContact OD1-N 3.19Å; L181-D417 PolarHBondContact N-O 3.27Å
418Y96.2Very high93.4Very high3 Ų365 Ų651%0.01230%0.302CS..EExtended strand (participates in β ladder)trans-103.188.9-177.5-158.7-82000110.9V179 L181 P275 I277 S377 V378 F380 G416 L420V179-Y418 HydrophobicContact CG1-CD2 4.34Å; V179-Y418 HydrophobicContact CG1-CE2 4.22Å; L181-Y418 HydrophobicContact CB-CD2 3.63Å; L181-Y418 HydrophobicContact CB-CE2 3.73Å; L181-Y418 HydrophobicContact CB-CG 4.1Å; L181-Y418 HydrophobicContact CD2-CD1 4.29Å; L181-Y418 HydrophobicContact CD2-CD2 4.23Å; L181-Y418 HydrophobicContact CD2-CE1 3.71Å; L181-Y418 HydrophobicContact CD2-CE2 3.63Å; L181-Y418 HydrophobicContact CG-CE2 4.32Å; P275-Y418 WeakPolarHBondContact CB-OH 3.49Å; I277-Y418 VanDerWaalsContact C-OH 3.28Å; I277-Y418 PolarHBondContact N-OH 3.12Å; I277-Y418 WeakPolarHBondContact O-CE1 3.3Å; I277-Y418 PolarHBondContact O-OH 3.06Å; S377-Y418 VanDerWaalsContact CA-O 3.28Å; S377-Y418 WeakPolarHBondContact CA-O 3.25Å; V378-Y418 HydrophobicContact CB-CD1 3.72Å; V378-Y418 HydrophobicContact CB-CE1 4.16Å; V378-Y418 HydrophobicContact CG2-CD1 3.97Å; V378-Y418 HydrophobicContact CG2-CE1 4.16Å; V378-Y418 PolarHBondContact N-O 3.2Å; V378-Y418 VanDerWaalsContact N-O 3.16Å; F380-Y418 HydrophobicContact CE1-CD1 4.47Å; F380-Y418 AromaticContact CE1-CD2 3.7Å; F380-Y418 HydrophobicContact CE1-CD2 3.7Å; F380-Y418 AromaticContact CE1-CE2 3.81Å; F380-Y418 HydrophobicContact CE1-CE2 3.81Å; F380-Y418 HydrophobicContact CE1-CG 4.03Å; F380-Y418 HydrophobicContact CZ-CD2 4.2Å; F380-Y418 HydrophobicContact CZ-CE2 4.16Å; G416-Y418 VanDerWaalsContact C-N 3.34Å; G416-Y418 PolarHBondContact O-N 3.01Å; Y418-L420 HydrophobicContact CD1-CD1 4.03Å; Y418-L420 HydrophobicContact CE1-CD1 3.96Å
419Q95.4Very high93.2Very high74 Ų7460 Ų6035%0.34629%0.287SS..EExtended strand (participates in β ladder)trans-123.3134.3-168.6-64.3-178.60.700112.6L181 L182 V183 P375 I376L181-Q419 PolarHBondContact O-N 3.45Å; L181-Q419 VanDerWaalsContact O-O 3.08Å; L182-Q419 WeakPolarHBondContact CA-O 3.36Å; L182-Q419 HydrophobicContact CD1-CB 4.27Å; V183-Q419 PolarHBondContact N-O 3.35Å; P375-Q419 HydrophobicContact CB-CB 4.03Å; P375-Q419 HydrophobicContact CG-CB 3.95Å; P375-Q419 HydrophobicContact CG-CG 4.07Å; I376-Q419 CarbonylContact O-C 3.59Å; I376-Q419 WeakPolarHBondContact O-CA 3.49Å
420L94.8Very high93Very high8 Ų859.7 Ų59.74%0.04228%0.28CS..EExtended strand (participates in β ladder)trans-122.6113.3175.4-57.695.3000108.8V183 I279 P375 I376 V378 Y418 T422V183-L420 HydrophobicContact CB-CB 4.19Å; V183-L420 HydrophobicContact CB-CD2 4.11Å; V183-L420 HydrophobicContact CB-CG 4.04Å; V183-L420 HydrophobicContact CG2-CD2 3.82Å; V183-L420 HydrophobicContact CG2-CG 3.87Å; I279-L420 HydrophobicContact CB-CD1 4.43Å; I279-L420 HydrophobicContact CB-CD2 4.05Å; I279-L420 HydrophobicContact CG1-CD1 4.24Å; P375-L420 CarbonylContact C-O 3.53Å; P375-L420 WeakPolarHBondContact CA-O 3.38Å; P375-L420 WeakPolarHBondContact CB-O 3.48Å; I376-L420 HydrophobicContact CB-CB 4.43Å; I376-L420 PolarHBondContact N-O 3.41Å; I376-L420 PolarHBondContact O-N 3.27Å; V378-L420 HydrophobicContact CG2-CD1 4.13Å; Y418-L420 HydrophobicContact CD1-CD1 4.03Å; Y418-L420 HydrophobicContact CE1-CD1 3.96Å; L420-T422 PolarHBondContact O-N 3.31Å
421R92.6Very high92.7Very high138 Ų13855.3 Ų55.352%0.52127%0.267SS..  trans-66.9134.1179.3-67.3-179.4177.3173.3-0.2110L182 V183 A185 P375L182-R421 HydrophobicContact CD1-CG 4.28Å; V183-R421 WeakPolarHBondContact O-CB 3.39Å; V183-R421 WeakPolarHBondContact O-CG 3.36Å; V183-R421 PolarHBondContact O-N 3.24Å; A185-R421 WeakPolarHBondContact CA-O 3.4Å; P375-R421 HydrophobicContact CB-CG 4.3Å
422T83.2Confident92.3Very high23 Ų2356.1 Ų56.114%0.14128%0.275CS..  trans-87.7164.6175.756.40000110.6A185 I283 I376 L420A185-T422 WeakPolarHBondContact CB-O 3.26Å; I283-T422 HydrophobicContact CD1-CG2 4.45Å; I376-T422 HydrophobicContact CD1-CG2 3.6Å; I376-T422 HydrophobicContact CG1-CG2 3.56Å; L420-T422 PolarHBondContact O-N 3.31Å
423Q69.8Low91.8Very high168 Ų16859.5 Ų59.579%0.78529%0.291SS*.  trans-820177-72.9-175.55.600112.7A185 K373A185-Q423 HydrophobicContact CB-CG 3.94Å; A185-Q423 WeakPolarHBondContact O-CG 3.29Å; A185-Q423 PolarHBondContact O-NE2 2.71Å; K373-Q423 PolarHBondContact NZ-O 3.14Å; K373-Q423 PolarHBondContact NZ-OXT 2.73Å

Retrieved 423 of 423 residues in 200.5 ms (Link to these results)

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