A0A077Z1E9_TRITR Loading...

limulus clotting factor C

AlphaFold DB , UniProt , Accession A0A077Z1E9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 391 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
1M35.6Very low31.7Very low234 Ų234148.8 Ų148.8100%1.15377%0.765SS**  090.50-88.1169.931.900107.6
2D34.5Very low32Very low149 Ų149143.5 Ų143.580%0.79774%0.737SS**  cis-149.4131.1-1.8-96.7-17.5000107.3
3E30.8Very low32.4Very low172 Ų172142 Ų14280%0.80473%0.73SS**  trans-73.4113.6158.2-76.4173.1125.800108.1L5E3-L5 HydrophobicContact CB-CD1 4.29Å
4Q37.3Very low33.4Very low194 Ų194136.8 Ų136.891%0.90772%0.719SS**  trans-104.586156.4-86.5-167.1-14.500109.7
5L30.6Very low34.8Very low120 Ų120128.7 Ų128.763%0.62868%0.681SS**  trans-51.4135.5156.5-108.864.7000111.6E3E3-L5 HydrophobicContact CB-CD1 4.29Å
6I29.1Very low36.6Very low119 Ų119124.1 Ų124.161%0.6167%0.674SS**  91.9126.2122.4-70.3176.6000120.8
7Q28.1Very low38.6Very low155 Ų155118.8 Ų118.872%0.72464%0.644SS**  trans79.976.9150.4-78.2161.828.600119.7
8S28.5Very low40.7Very low116 Ų116115.7 Ų115.781%0.81163%0.625SS**  trans-85.597.2137.470.20000109A10S8-A10 PolarHBondContact O-N 3.18Å; S8-A10 VanDerWaalsContact O-N 3.08Å
9K30.5Very low42.4Very low177 Ų177113.8 Ų113.877%0.7761%0.608SS**  trans-64.9102.9165.3-79.8179.4176.3175.80108.1I11K9-I11 PolarHBondContact O-N 2.65Å
10A30.9Very low44.4Very low56 Ų56109 Ų10946%0.46358%0.582SS.*  trans-68.3125.1169.400000109.1S8 I12S8-A10 PolarHBondContact O-N 3.18Å; S8-A10 VanDerWaalsContact O-N 3.08Å; A10-I12 PolarHBondContact O-N 3.49Å
11I33Very low46.1Very low145 Ų145108.2 Ų108.274%0.74458%0.577SS**  trans-65.6116.5178-63.8169000108.3K9 L13K9-I11 PolarHBondContact O-N 2.65Å; I11-L13 HydrophobicContact CG2-CD2 4.43Å; I11-L13 HydrophobicContact CG2-CG 4.49Å; I11-L13 PolarHBondContact O-N 3.08Å
12I35.3Very low48.3Very low85 Ų8597.2 Ų97.244%0.43652%0.523SS..  trans-76106.9169.4-58.9174.5000106.8A10 A14 I33A10-I12 PolarHBondContact O-N 3.49Å; I12-A14 PolarHBondContact O-N 3.46Å; I12-I33 HydrophobicContact CG2-CD1 4.46Å; I12-I33 HydrophobicContact CG2-CG2 4.42Å
13L37.1Very low50.1Low124 Ų12497 Ų9765%0.64952%0.515SS*.EExtended strand (participates in β ladder)trans-79.2106.2164.5-69.5169.6000107.2I11 G15I11-L13 HydrophobicContact CG2-CD2 4.43Å; I11-L13 HydrophobicContact CG2-CG 4.49Å; I11-L13 PolarHBondContact O-N 3.08Å; L13-G15 PolarHBondContact O-N 3.43Å; L13-G15 VanDerWaalsContact O-N 3.11Å
14A46.5Very low52.2Low69 Ų6992.2 Ų92.257%0.5750%0.495SS*.EExtended strand (participates in β ladder)trans-58.5113.7171.400000108.7I12 E31I12-A14 PolarHBondContact O-N 3.46Å; A14-E31 WeakPolarHBondContact CB-OE1 3.49Å
15G53.6Low53.8Low15 Ų1584.3 Ų84.316%0.15547%0.465CS..EExtended strand (participates in β ladder)trans-74.6158168.900000109.7L13 R32L13-G15 PolarHBondContact O-N 3.43Å; L13-G15 VanDerWaalsContact O-N 3.11Å; G15-R32 CarbonylContact C-O 3.58Å; G15-R32 WeakPolarHBondContact CA-O 3.46Å; G15-R32 PolarHBondContact N-O 3.27Å
16G63.9Low56.1Low55 Ų5581.7 Ų81.757%0.56745%0.447SS*.EExtended strand (participates in β ladder)trans-52.6150.5-177.500000113R32G16-R32 PolarHBondContact O-N 3.06Å
17M71.6Confident58.4Low34 Ų3476.8 Ų76.817%0.16742%0.423CS..EExtended strand (participates in β ladder)trans-67.8133.7168.9-70.7-120-66.500109.8M29 K103 T218 Y219 F222M17-M29 HydrophobicContact CB-CE 4.13Å; M17-M29 HydrophobicContact CE-CE 3.52Å; M17-M29 HydrophobicContact SD-CE 4.17Å; M17-K103 HydrophobicContact SD-CG 4.11Å; M17-T218 HydrophobicContact CE-CG2 3.39Å; M17-T218 WeakPolarHBondContact CE-O 3.27Å; M17-T218 HydrophobicContact CG-CG2 3.89Å; M17-T218 HydrophobicContact SD-CG2 4.04Å; M17-Y219 HydrophobicContact CE-CD1 3.39Å; M17-Y219 HydrophobicContact CE-CE1 3.78Å; M17-Y219 HydrophobicContact CE-CG 4.06Å; M17-Y219 HydrophobicContact SD-CD1 4.15Å; M17-Y219 HydrophobicContact SD-CE1 3.98Å; M17-F222 HydrophobicContact CB-CE2 3.8Å; M17-F222 HydrophobicContact CB-CZ 3.95Å; M17-F222 HydrophobicContact CE-CE2 4.32Å; M17-F222 WeakPolarHBondContact O-CZ 3.13Å
18E75.1Confident61Low63 Ų6369.4 Ų69.429%0.29439%0.388SS..EExtended strand (participates in β ladder)trans-124.7144.8178.4-64.5178.7-172.700109.4I30 R32E18-I30 PolarHBondContact N-O 2.88Å; E18-I30 PolarHBondContact O-N 2.8Å; E18-R32 WeakPolarHBondContact OE1-CD 3.25Å; E18-R32 IonicContact OE1-CZ 2.8Å; E18-R32 IonicContact OE1-NE 3.81Å; E18-R32 IonicContact OE1-NH1 3.93Å; E18-R32 PolarHBondContact OE1-NH1 2.83Å; E18-R32 IonicContact OE2-NH1 3.02Å
19R73.7Confident63.4Low81 Ų8164.2 Ų64.231%0.30635%0.351SS..EExtended strand (participates in β ladder)trans-97.6124.8174.5-172.1-167.9-173163.313.3109.2S27 C28 M29 F222R19-S27 VanDerWaalsContact CZ-OG 3.23Å; R19-S27 PolarHBondContact NE-OG 2.78Å; R19-S27 PolarHBondContact NH2-OG 2.91Å; R19-C28 WeakPolarHBondContact CA-O 3.11Å; R19-M29 HydrophobicContact CB-SD 4.35Å; R19-M29 HydrophobicContact CG-SD 4.41Å; R19-F222 HydrophobicContact CB-CB 3.97Å; R19-F222 HydrophobicContact CB-CD1 3.73Å; R19-F222 HydrophobicContact CB-CG 4.18Å; R19-F222 WeakPolarHBondContact CD-O 3.28Å; R19-F222 HydrophobicContact CG-CB 4.19Å; R19-F222 PolarHBondContact NE-O 3.48Å; R19-F222 PolarHBondContact NH1-O 3.09Å; R19-F222 PolarHBondContact NH2-O 3.48Å
20M83.2Confident66.1Low17 Ų1755.8 Ų55.88%0.08432%0.315CS..EExtended strand (participates in β ladder)trans-112.6130.2172.4-68.6-175.965.700110.1C28 I30 V53 E54 L57 F70 F98M20-C28 PolarHBondContact N-O 2.79Å; M20-C28 PolarHBondContact O-N 3.45Å; M20-I30 HydrophobicContact CB-CG1 4.14Å; M20-I30 HydrophobicContact CG-CG1 3.95Å; M20-I30 HydrophobicContact SD-CG1 3.82Å; M20-V53 HydrophobicContact CE-CB 4.25Å; M20-V53 HydrophobicContact CE-CG1 3.74Å; M20-V53 HydrophobicContact CE-CG2 3.87Å; M20-E54 HydrophobicContact CE-CB 4.49Å; M20-E54 HydrophobicContact CE-CG 4.05Å; M20-L57 HydrophobicContact CB-CD2 3.55Å; M20-L57 HydrophobicContact CE-CB 4.24Å; M20-L57 HydrophobicContact CE-CD2 3.93Å; M20-L57 HydrophobicContact CG-CD2 4.38Å; M20-L57 HydrophobicContact SD-CD2 4.02Å; M20-F70 HydrophobicContact CE-CZ 4.44Å; M20-F70 HydrophobicContact SD-CZ 3.85Å; M20-F98 HydrophobicContact SD-CE1 4.01Å; M20-F98 HydrophobicContact SD-CZ 3.91Å
21I79.2Confident68.8Low93 Ų9354.7 Ų54.748%0.47730%0.3SS..EExtended strand (participates in β ladder)trans-94.1119.9171.5-58.3179.9000107.2
22V80.8Confident71.3Confident2 Ų251 Ų511%0.01228%0.277CS..  trans-77.1149.8177.9-171.60000108.4D24 G25 R26 L57 K58 L61V22-D24 WeakPolarHBondContact CB-OD1 3.35Å; V22-D24 WeakPolarHBondContact CG1-OD1 3.28Å; V22-D24 PolarHBondContact O-N 2.88Å; V22-G25 PolarHBondContact O-N 2.88Å; V22-R26 HydrophobicContact CB-CB 4.14Å; V22-R26 HydrophobicContact CG2-CB 4.07Å; V22-R26 PolarHBondContact N-O 3.31Å; V22-L57 HydrophobicContact CG2-CD2 3.77Å; V22-L57 HydrophobicContact CG2-CG 4.06Å; V22-K58 HydrophobicContact CG1-CB 3.69Å; V22-K58 HydrophobicContact CG1-CG 3.87Å; V22-L61 HydrophobicContact CB-CD1 4.43Å; V22-L61 HydrophobicContact CG1-CD1 4.24Å; V22-L61 HydrophobicContact CG2-CD1 3.43Å; V22-L61 VanDerWaalsContact CG2-CD1 3.43Å
23K73.3Confident73.7Confident145 Ų14547.3 Ų47.363%0.6326%0.258SS*.THydrogen-bonded Turntrans-55.1-21.1179.4-78.4-170.1175.9-179.90114.5G25K23-G25 VanDerWaalsContact C-N 3.32Å
24D74.1Confident75.6Confident72 Ų7249.2 Ų49.239%0.38526%0.256SS..THydrogen-bonded Turntrans-88.87.3175.461.621.8000114.2V22 R26V22-D24 WeakPolarHBondContact CB-OD1 3.35Å; V22-D24 WeakPolarHBondContact CG1-OD1 3.28Å; V22-D24 PolarHBondContact O-N 2.88Å; D24-R26 VanDerWaalsContact CG-NE 3.34Å; D24-R26 VanDerWaalsContact OD1-CB 3.26Å; D24-R26 WeakPolarHBondContact OD1-CB 3.49Å; D24-R26 WeakPolarHBondContact OD1-CG 3.19Å; D24-R26 PolarHBondContact OD1-N 2.91Å; D24-R26 IonicContact OD1-NE 3.11Å; D24-R26 PolarHBondContact OD1-NE 3.23Å; D24-R26 IonicContact OD2-CZ 3.02Å; D24-R26 IonicContact OD2-NE 2.64Å; D24-R26 PolarHBondContact OD2-NE 2.85Å; D24-R26 IonicContact OD2-NH2 3.98Å; D24-R26 PolarHBondContact OD2-NH2 2.81Å
25G71.9Confident76.9Confident27 Ų2746.9 Ų46.928%0.27824%0.237SC..SBendtrans89-10.117900000114.8V22 K23 S27 G108V22-G25 PolarHBondContact O-N 2.88Å; K23-G25 VanDerWaalsContact C-N 3.32Å; G25-S27 PolarHBondContact O-N 3.01Å; G25-G108 WeakPolarHBondContact O-CA 3Å
26R79Confident78.2Confident65 Ų6548 Ų4825%0.24525%0.249CC..  trans-58.9140.1174.1-71.5-178.3-78.2-176.8-2.7110.4V22 D24 D62V22-R26 HydrophobicContact CB-CB 4.14Å; V22-R26 HydrophobicContact CG2-CB 4.07Å; V22-R26 PolarHBondContact N-O 3.31Å; D24-R26 VanDerWaalsContact CG-NE 3.34Å; D24-R26 VanDerWaalsContact OD1-CB 3.26Å; D24-R26 WeakPolarHBondContact OD1-CB 3.49Å; D24-R26 WeakPolarHBondContact OD1-CG 3.19Å; D24-R26 PolarHBondContact OD1-N 2.91Å; D24-R26 IonicContact OD1-NE 3.11Å; D24-R26 PolarHBondContact OD1-NE 3.23Å; D24-R26 IonicContact OD2-CZ 3.02Å; D24-R26 IonicContact OD2-NE 2.64Å; D24-R26 PolarHBondContact OD2-NE 2.85Å; D24-R26 IonicContact OD2-NH2 3.98Å; D24-R26 PolarHBondContact OD2-NH2 2.81Å; R26-D62 IonicContact NH2-OD1 3.66Å; R26-D62 PolarHBondContact NH2-OD1 2.86Å
27S76.9Confident79.2Confident16 Ų1650.4 Ų50.411%0.11224%0.242CC..EExtended strand (participates in β ladder)trans-108.4116.2176.7164.80000108.8R19 G25 C105 S106R19-S27 VanDerWaalsContact CZ-OG 3.23Å; R19-S27 PolarHBondContact NE-OG 2.78Å; R19-S27 PolarHBondContact NH2-OG 2.91Å; G25-S27 PolarHBondContact O-N 3.01Å; S27-C105 WeakPolarHBondContact O-CA 3.2Å; S27-S106 PolarHBondContact N-O 3.25Å; S27-S106 VanDerWaalsContact N-O 3.1Å; S27-S106 PolarHBondContact O-N 2.85Å; S27-S106 VanDerWaalsContact O-N 3.08Å
28C83.9Confident79.8Confident0 Ų049.1 Ų49.10%024%0.236CC..EExtended strand (participates in β ladder)trans-112.9140.2-176.5-70.30000112.7R19 M20 I30 L57 L61 D104 C105R19-C28 WeakPolarHBondContact CA-O 3.11Å; M20-C28 PolarHBondContact N-O 2.79Å; M20-C28 PolarHBondContact O-N 3.45Å; C28-I30 HydrophobicContact CB-CD1 3.86Å; C28-I30 HydrophobicContact CB-CG1 4.47Å; C28-L57 HydrophobicContact CB-CD1 4.47Å; C28-L57 HydrophobicContact CB-CD2 3.95Å; C28-L61 WeakPolarHBondContact SG-CD1 3.25Å; C28-D104 CarbonylContact C-O 3.52Å; C28-D104 WeakPolarHBondContact CA-O 3.26Å; C28-C105 HydrophobicContact CB-CB 4.21Å; C28-C105 WeakPolarHBondContact CB-SG 3.21Å; C28-C105 WeakPolarHBondContact SG-CB 3.35Å; C28-C105 CovalentContact SG-SG 2.04Å; C28-C105 PolarHBondContact SG-SG 2.86Å
29M78Confident80.3Confident7 Ų750.5 Ų50.53%0.03424%0.242CC..EExtended strand (participates in β ladder)trans-94.7115.3173.6-71.4-47.3-55.100109.9M17 R19 K103 D104 F222M17-M29 HydrophobicContact CB-CE 4.13Å; M17-M29 HydrophobicContact CE-CE 3.52Å; M17-M29 HydrophobicContact SD-CE 4.17Å; R19-M29 HydrophobicContact CB-SD 4.35Å; R19-M29 HydrophobicContact CG-SD 4.41Å; M29-K103 HydrophobicContact CB-CB 4.16Å; M29-K103 PolarHBondContact O-N 2.97Å; M29-D104 HydrophobicContact CB-CB 4.35Å; M29-D104 PolarHBondContact N-O 2.9Å; M29-F222 HydrophobicContact CE-CB 3.75Å; M29-F222 HydrophobicContact CE-CD1 4.18Å; M29-F222 HydrophobicContact CE-CD2 2.99Å; M29-F222 HydrophobicContact CE-CE2 3.47Å; M29-F222 VanDerWaalsContact CE-CE2 3.47Å; M29-F222 HydrophobicContact CE-CG 3.38Å; M29-F222 HydrophobicContact CE-CZ 4.23Å; M29-F222 HydrophobicContact SD-CB 3.21Å; M29-F222 WeakPolarHBondContact SD-CB 3.39Å; M29-F222 HydrophobicContact SD-CD2 3.75Å; M29-F222 HydrophobicContact SD-CG 3.6Å; M29-F222 VanDerWaalsContact SD-CG 3.6Å
30I87.6Confident81Confident0 Ų048.2 Ų48.20%024%0.244CC..EExtended strand (participates in β ladder)trans-117.8118.9-173.9-49.5-54000108.8E18 M20 C28 L57 F70 F98 L101 I102E18-I30 PolarHBondContact N-O 2.88Å; E18-I30 PolarHBondContact O-N 2.8Å; M20-I30 HydrophobicContact CB-CG1 4.14Å; M20-I30 HydrophobicContact CG-CG1 3.95Å; M20-I30 HydrophobicContact SD-CG1 3.82Å; C28-I30 HydrophobicContact CB-CD1 3.86Å; C28-I30 HydrophobicContact CB-CG1 4.47Å; I30-L57 HydrophobicContact CD1-CD1 3.87Å; I30-L57 HydrophobicContact CD1-CD2 4.23Å; I30-F70 HydrophobicContact CD1-CE1 3.96Å; I30-F70 HydrophobicContact CG1-CE1 4.4Å; I30-F70 HydrophobicContact CG2-CE1 4.04Å; I30-F70 HydrophobicContact CG2-CZ 4.19Å; I30-F98 HydrophobicContact CG2-CE1 4.18Å; I30-F98 HydrophobicContact CG2-CZ 4.42Å; I30-L101 CarbonylContact C-O 3.53Å; I30-L101 WeakPolarHBondContact CA-O 3.4Å; I30-I102 HydrophobicContact CD1-CB 4.19Å; I30-I102 HydrophobicContact CD1-CG1 3.79Å; I30-I102 HydrophobicContact CD1-CG2 4.24Å
31E86.6Confident81.3Confident34 Ų3448.3 Ų48.316%0.15924%0.244CC..EExtended strand (participates in β ladder)trans-81.3116.9166.3179.4-174.5-166.100108.2A14 I33 L101 K103A14-E31 WeakPolarHBondContact CB-OE1 3.49Å; E31-I33 HydrophobicContact CG-CD1 4.04Å; E31-L101 HydrophobicContact CB-CB 4.23Å; E31-L101 PolarHBondContact N-O 3.08Å; E31-L101 PolarHBondContact O-N 3.1Å; E31-K103 HydrophobicContact CB-CG 4.26Å; E31-K103 WeakPolarHBondContact OE2-CE 3.33Å; E31-K103 IonicContact OE2-NZ 3.27Å; E31-K103 PolarHBondContact OE2-NZ 2.98Å
32R86.5Confident81.9Confident67 Ų6749.8 Ų49.825%0.25325%0.247SC..EExtended strand (participates in β ladder)trans-79.1127.4179.6-173.5168.2-178.5171.46.6110G15 G16 E18 V99G15-R32 CarbonylContact C-O 3.58Å; G15-R32 WeakPolarHBondContact CA-O 3.46Å; G15-R32 PolarHBondContact N-O 3.27Å; G16-R32 PolarHBondContact O-N 3.06Å; E18-R32 WeakPolarHBondContact OE1-CD 3.25Å; E18-R32 IonicContact OE1-CZ 2.8Å; E18-R32 IonicContact OE1-NE 3.81Å; E18-R32 IonicContact OE1-NH1 3.93Å; E18-R32 PolarHBondContact OE1-NH1 2.83Å; E18-R32 IonicContact OE2-NH1 3.02Å; R32-V99 WeakPolarHBondContact CA-O 3.4Å
33I85.4Confident82.4Confident8 Ų852.1 Ų52.14%0.04126%0.262CS..EExtended strand (participates in β ladder)trans-102.6133.8178.2-56-60.3000110.2I12 E31 A35 L38 L92 V99 L101I12-I33 HydrophobicContact CG2-CD1 4.46Å; I12-I33 HydrophobicContact CG2-CG2 4.42Å; E31-I33 HydrophobicContact CG-CD1 4.04Å; I33-A35 HydrophobicContact CG2-CB 3.86Å; I33-L38 HydrophobicContact CB-CD1 4.35Å; I33-L38 HydrophobicContact CG1-CD1 4.03Å; I33-L38 HydrophobicContact CG2-CD1 3.91Å; I33-L92 HydrophobicContact CG2-CD1 4.48Å; I33-V99 HydrophobicContact CB-CB 4.23Å; I33-V99 HydrophobicContact CB-CG1 4.12Å; I33-V99 PolarHBondContact N-O 3.38Å; I33-L101 HydrophobicContact CD1-CD1 4.05Å; I33-L101 HydrophobicContact CG1-CD1 3.36Å
34R77.2Confident83.2Confident163 Ų16348 Ų4862%0.61525%0.249SC*.EExtended strand (participates in β ladder)trans-121.383.6170.7-63.9-175.9-175.9-179.11.4108.4
35A73.3Confident83.9Confident20 Ų2048.5 Ų48.517%0.16525%0.249CC..  trans-142.1159.8178.900000109.9I33 Y37 L92I33-A35 HydrophobicContact CG2-CB 3.86Å; A35-Y37 VanDerWaalsContact C-N 3.31Å; A35-Y37 WeakPolarHBondContact CB-O 3.44Å; A35-L92 WeakPolarHBondContact O-CB 3.3Å; A35-L92 VanDerWaalsContact O-CD1 3.23Å; A35-L92 WeakPolarHBondContact O-CD1 3.41Å
36G81.8Confident84.7Confident40 Ų4054 Ų5441%0.41227%0.265SS..SBendtrans-75.7-22.5171.300000113.2L92G36-L92 PolarHBondContact O-N 3.27Å
37Y84Confident85Confident105 Ų10551.7 Ų51.741%0.41226%0.259SS..EExtended strand (participates in β ladder)trans-141.3144.3-179.9-65.6-87.3000111A35 A89 V90 K91A35-Y37 VanDerWaalsContact C-N 3.31Å; A35-Y37 WeakPolarHBondContact CB-O 3.44Å; Y37-A89 HydrophobicContact CD1-CB 4.49Å; Y37-V90 CarbonylContact C-O 3.53Å; Y37-V90 VanDerWaalsContact CA-O 3.3Å; Y37-V90 WeakPolarHBondContact CA-O 2.99Å; Y37-K91 HydrophobicContact CD1-CB 4Å; Y37-K91 HydrophobicContact CD1-CG 4.29Å; Y37-K91 HydrophobicContact CE1-CB 3.71Å; Y37-K91 HydrophobicContact CE1-CD 4.16Å; Y37-K91 HydrophobicContact CE1-CG 3.73Å
38L83.9Confident85.2Confident6 Ų655.7 Ų55.73%0.03128%0.279CS..EExtended strand (participates in β ladder)trans-107.599.3168-161.374.9000108.8I33 M41 A69 I82 A89 V90 L92 V99 L101I33-L38 HydrophobicContact CB-CD1 4.35Å; I33-L38 HydrophobicContact CG1-CD1 4.03Å; I33-L38 HydrophobicContact CG2-CD1 3.91Å; L38-M41 HydrophobicContact CD2-CB 3.98Å; L38-M41 HydrophobicContact CD2-CE 4.46Å; L38-M41 HydrophobicContact CD2-CG 3.58Å; L38-M41 HydrophobicContact CD2-SD 4.28Å; L38-M41 HydrophobicContact CG-CB 4.21Å; L38-M41 HydrophobicContact CG-CG 3.75Å; L38-A69 HydrophobicContact CD2-CB 4.46Å; L38-I82 HydrophobicContact CD2-CD1 4.41Å; L38-I82 HydrophobicContact CD2-CG2 4.19Å; L38-A89 CarbonylContact O-C 3.52Å; L38-A89 VanDerWaalsContact O-CA 3.28Å; L38-A89 WeakPolarHBondContact O-CA 3.18Å; L38-V90 HydrophobicContact CB-CB 4.29Å; L38-V90 PolarHBondContact N-O 2.04Å; L38-V90 PolarHBondContact O-N 2.97Å; L38-L92 HydrophobicContact CB-CD1 4.28Å; L38-V99 HydrophobicContact CD2-CG1 4.5Å; L38-L101 HydrophobicContact CD1-CD1 4Å; L38-L101 HydrophobicContact CD2-CD1 4.11Å
39H86.2Confident85.3Confident92 Ų9263.8 Ų63.843%0.42631%0.314SS..EExtended strand (participates in β ladder)trans-75.9152-178.2-66.8-70.9000112.3M41H39-M41 VanDerWaalsContact C-N 3.29Å
40G87.6Confident85.8Confident34 Ų3463.5 Ų63.535%0.35131%0.313SS..EExtended strand (participates in β ladder)trans71.325.5-17900000113.1A85 T88G40-A85 CarbonylContact C-O 3.58Å; G40-A85 WeakPolarHBondContact CA-O 3.18Å; G40-A85 PolarHBondContact O-N 3.38Å; G40-T88 PolarHBondContact N-O 2.89Å
41M90Very high85.9Confident19 Ų1970.6 Ų70.69%0.09435%0.346CS..EExtended strand (participates in β ladder)trans-141.3152.2-170.9-64.7-79.2-175.600111.1L38 H39 I82 A83 N84 A85 T88 A89 V90 L101L38-M41 HydrophobicContact CD2-CB 3.98Å; L38-M41 HydrophobicContact CD2-CE 4.46Å; L38-M41 HydrophobicContact CD2-CG 3.58Å; L38-M41 HydrophobicContact CD2-SD 4.28Å; L38-M41 HydrophobicContact CG-CB 4.21Å; L38-M41 HydrophobicContact CG-CG 3.75Å; H39-M41 VanDerWaalsContact C-N 3.29Å; M41-I82 HydrophobicContact CB-CG2 3.69Å; M41-I82 HydrophobicContact CG-CG2 4.23Å; M41-I82 HydrophobicContact SD-CG2 4.05Å; M41-A83 CarbonylContact C-O 3.48Å; M41-A83 VanDerWaalsContact CA-O 3.25Å; M41-A83 WeakPolarHBondContact CA-O 3.48Å; M41-N84 WeakPolarHBondContact CE-OD1 3.32Å; M41-N84 HydrophobicContact SD-CB 4.49Å; M41-N84 PolarHBondContact SD-OD1 2.95Å; M41-A85 PolarHBondContact N-O 3.36Å; M41-T88 PolarHBondContact N-O 3.11Å; M41-T88 CarbonylContact O-C 3.52Å; M41-T88 WeakPolarHBondContact O-CB 3.39Å; M41-T88 PolarHBondContact O-OG1 3.02Å; M41-A89 PolarHBondContact O-N 2.64Å; M41-V90 HydrophobicContact CB-CG2 4.06Å; M41-L101 HydrophobicContact CE-CD2 4.29Å
42K91.8Very high86Confident123 Ų12370.2 Ų70.254%0.53535%0.347SS..EExtended strand (participates in β ladder)trans-137.4138.5178.2177.2179.1175.3-176.90110.2T44 I82 A83 A85K42-T44 PolarHBondContact O-N 2.7Å; K42-I82 WeakPolarHBondContact O-CA 3.13Å; K42-A83 PolarHBondContact N-O 3.23Å; K42-A83 PolarHBondContact O-N 2.8Å; K42-A85 HydrophobicContact CB-CB 3.53Å
43V91.3Very high86.3Confident52 Ų5268.2 Ų68.232%0.31534%0.342SS..EExtended strand (participates in β ladder)trans-68.9117.7167.9179.40000108.2Q45 K80 L81 I82 V90V43-Q45 WeakPolarHBondContact CG1-O 3.04Å; V43-K80 HydrophobicContact CG1-CB 4.11Å; V43-K80 HydrophobicContact CG2-CB 4.47Å; V43-K80 HydrophobicContact CG2-CD 4.44Å; V43-L81 CarbonylContact C-O 2.82Å; V43-L81 WeakPolarHBondContact CA-O 3.41Å; V43-I82 HydrophobicContact CG2-CG1 4.35Å; V43-V90 HydrophobicContact CG2-CB 4.44Å; V43-V90 HydrophobicContact CG2-CG1 3.65Å; V43-V90 HydrophobicContact CG2-CG2 3.92Å
44T89.8Confident86.5Confident59 Ų5971.3 Ų71.336%0.36236%0.357SS..EExtended strand (participates in β ladder)trans-91.2-34.1179.249.40000112K42 I66 L81 A83K42-T44 PolarHBondContact O-N 2.7Å; T44-I66 PolarHBondContact OG1-O 3.31Å; T44-L81 PolarHBondContact N-O 2.87Å; T44-L81 PolarHBondContact OG1-O 3.39Å; T44-A83 HydrophobicContact CG2-CB 3.45Å; T44-A83 VanDerWaalsContact CG2-CB 3.45Å
45Q88.6Confident87.2Confident82 Ų8265.6 Ų65.638%0.38334%0.338SS..EExtended strand (participates in β ladder)trans-150.5153.5-179.1-166.8174.216.700110V43 K80 L81V43-Q45 WeakPolarHBondContact CG1-O 3.04Å; Q45-K80 WeakPolarHBondContact O-CA 3.38Å; Q45-L81 HydrophobicContact CB-CB 4.14Å; Q45-L81 HydrophobicContact CB-CD1 4.19Å; Q45-L81 HydrophobicContact CB-CG 4.23Å; Q45-L81 PolarHBondContact O-N 2.54Å
46F89Confident88.2Confident143 Ų14364.7 Ų64.763%0.62733%0.33SS*.EExtended strand (participates in β ladder)trans-125.6153.4163.567.8-87.5000110.2L78 C79F46-L78 HydrophobicContact CB-CD1 4.4Å; F46-L78 HydrophobicContact CD2-CD1 4.35Å; F46-C79 CarbonylContact C-O 3.59Å; F46-C79 VanDerWaalsContact CA-O 3.25Å; F46-C79 WeakPolarHBondContact CA-O 3.35Å
47S85.9Confident88.7Confident15 Ų1562.8 Ų62.811%0.10531%0.31CS..EExtended strand (participates in β ladder)trans-134.1126.4171.2-67.20000107.8K59 C79S47-K59 PolarHBondContact OG-NZ 2.94Å; S47-C79 PolarHBondContact N-O 3.34Å; S47-C79 PolarHBondContact O-N 3.02Å
48D81Confident89.1Confident101 Ų10161 Ų6154%0.5431%0.305SS..SBendtrans-80.2165.2164.761.9-31.6000110.4V50 S77D48-V50 VanDerWaalsContact C-N 3.27Å; D48-V50 PolarHBondContact O-N 3.12Å; D48-S77 CarbonylContact C-O 3.58Å
49K85.7Confident89.5Confident169 Ų16964.1 Ų64.174%0.73532%0.318SS*.  trans60.332.6175.6-50.5175.7-173.6176.60114S77K49-S77 PolarHBondContact N-O 3.13Å
50V88.7Confident89.9Confident1 Ų159.8 Ų59.81%0.00630%0.298CS..  trans-86.4114.8170.1-178.10000107.9D48 S52 L55 C56 K59 Y72 S77 C79D48-V50 VanDerWaalsContact C-N 3.27Å; D48-V50 PolarHBondContact O-N 3.12Å; V50-S52 VanDerWaalsContact C-N 3.3Å; V50-S52 WeakPolarHBondContact CG1-O 3.46Å; V50-S52 PolarHBondContact O-N 3.04Å; V50-L55 HydrophobicContact CG1-CB 3.81Å; V50-L55 HydrophobicContact CG1-CD2 4.05Å; V50-L55 HydrophobicContact CG1-CG 3.97Å; V50-C56 HydrophobicContact CG1-CB 3.95Å; V50-K59 HydrophobicContact CG2-CD 3.82Å; V50-Y72 HydrophobicContact CB-CE2 4.3Å; V50-Y72 HydrophobicContact CG1-CE2 4.24Å; V50-Y72 VanDerWaalsContact O-CE2 3.25Å; V50-Y72 WeakPolarHBondContact O-CE2 3.03Å; V50-Y72 PolarHBondContact O-OH 3.02Å; V50-Y72 VanDerWaalsContact O-OH 3.1Å; V50-S77 PolarHBondContact N-O 3.01Å; V50-S77 WeakPolarHBondContact O-CA 3.3Å; V50-S77 WeakPolarHBondContact O-CB 3.02Å; V50-C79 HydrophobicContact CB-CB 3.85Å; V50-C79 HydrophobicContact CG1-CB 4.07Å; V50-C79 HydrophobicContact CG2-CB 3.55Å
51E88.9Confident90.1Very high150 Ų15058.6 Ų58.670%0.70128%0.284SS*.  trans-72-19.5-169.2-62.1173.8170.900114.7Y72E51-Y72 VanDerWaalsContact C-OH 3.3Å; E51-Y72 PolarHBondContact O-OH 3.48Å
52S90.5Very high90.1Very high25 Ų2562.2 Ų62.218%0.17530%0.303CS..  trans-155.1160.2-176.491.30000113.2V50 E54 L55 C56 Y72V50-S52 VanDerWaalsContact C-N 3.3Å; V50-S52 WeakPolarHBondContact CG1-O 3.46Å; V50-S52 PolarHBondContact O-N 3.04Å; S52-E54 VanDerWaalsContact C-N 3.27Å; S52-E54 WeakPolarHBondContact CB-OE2 3.42Å; S52-E54 PolarHBondContact O-N 3.29Å; S52-E54 PolarHBondContact OG-N 3.26Å; S52-E54 PolarHBondContact OG-OE2 3.42Å; S52-L55 PolarHBondContact O-N 3.28Å; S52-L55 VanDerWaalsContact O-N 3.16Å; S52-L55 PolarHBondContact OG-N 3.09Å; S52-C56 PolarHBondContact O-N 2.89Å; S52-Y72 PolarHBondContact N-OH 2.84Å
53V91.4Very high90Very high25 Ų2559 Ų5915%0.15229%0.292CS..Hα-helixtrans-61.5-34.9175.567.60000111.8M20 C56 L57 F70 Y72 F98M20-V53 HydrophobicContact CE-CB 4.25Å; M20-V53 HydrophobicContact CE-CG1 3.74Å; M20-V53 HydrophobicContact CE-CG2 3.87Å; V53-C56 WeakPolarHBondContact O-CB 3.3Å; V53-C56 PolarHBondContact O-N 3.46Å; V53-L57 PolarHBondContact O-N 3.08Å; V53-F70 HydrophobicContact CG2-CE2 3.77Å; V53-F70 HydrophobicContact CG2-CZ 4.5Å; V53-Y72 HydrophobicContact CB-CD1 3.68Å; V53-Y72 HydrophobicContact CB-CE1 4.21Å; V53-Y72 HydrophobicContact CB-CG 4.13Å; V53-Y72 HydrophobicContact CG2-CD1 4.15Å; V53-Y72 HydrophobicContact CG2-CG 4.32Å; V53-F98 HydrophobicContact CG2-CB 4.09Å; V53-F98 HydrophobicContact CG2-CD1 3.49Å; V53-F98 VanDerWaalsContact CG2-CD1 3.49Å; V53-F98 HydrophobicContact CG2-CD2 4.23Å; V53-F98 HydrophobicContact CG2-CE1 3.94Å; V53-F98 HydrophobicContact CG2-CG 3.66Å; V53-F98 HydrophobicContact CG2-CZ 4.48Å
54E90.7Very high89.7Confident74 Ų7461 Ų6135%0.34629%0.294SS..Hα-helixtrans-67.4-35.7175.7-57.376.3-167.900112M20 S52 K58M20-E54 HydrophobicContact CE-CB 4.49Å; M20-E54 HydrophobicContact CE-CG 4.05Å; S52-E54 VanDerWaalsContact C-N 3.27Å; S52-E54 WeakPolarHBondContact CB-OE2 3.42Å; S52-E54 PolarHBondContact O-N 3.29Å; S52-E54 PolarHBondContact OG-N 3.26Å; S52-E54 PolarHBondContact OG-OE2 3.42Å; E54-K58 WeakPolarHBondContact O-CB 3.34Å; E54-K58 PolarHBondContact O-N 3.46Å
55L91.4Very high89.5Confident43 Ų4366.2 Ų66.223%0.22532%0.32CS..Hα-helixtrans-72.1-34.2175.4-169.465.3000111.1V50 S52 K58 K59V50-L55 HydrophobicContact CG1-CB 3.81Å; V50-L55 HydrophobicContact CG1-CD2 4.05Å; V50-L55 HydrophobicContact CG1-CG 3.97Å; S52-L55 PolarHBondContact O-N 3.28Å; S52-L55 VanDerWaalsContact O-N 3.16Å; S52-L55 PolarHBondContact OG-N 3.09Å; L55-K58 HydrophobicContact CD1-CD 4.32Å; L55-K58 PolarHBondContact O-N 2.9Å; L55-K59 PolarHBondContact O-N 3Å
56C94Very high89.3Confident0 Ų066.6 Ų66.60%032%0.323CS..Hα-helixtrans-65-45.8171.9-173.70000111.7V50 S52 V53 K58 K59 C60 F70 Y72 C79V50-C56 HydrophobicContact CG1-CB 3.95Å; S52-C56 PolarHBondContact O-N 2.89Å; V53-C56 WeakPolarHBondContact O-CB 3.3Å; V53-C56 PolarHBondContact O-N 3.46Å; C56-K58 PolarHBondContact O-N 3.18Å; C56-K59 WeakPolarHBondContact O-CB 3.12Å; C56-K59 PolarHBondContact O-N 2.84Å; C56-C60 PolarHBondContact O-N 2.83Å; C56-F70 HydrophobicContact CB-CD2 4.3Å; C56-Y72 HydrophobicContact CB-CD2 3.9Å; C56-Y72 HydrophobicContact CB-CG 4.34Å; C56-C79 WeakPolarHBondContact CA-SG 3.23Å; C56-C79 HydrophobicContact CB-CB 3.69Å; C56-C79 WeakPolarHBondContact CB-SG 3.28Å; C56-C79 VanDerWaalsContact SG-CA 3.54Å; C56-C79 WeakPolarHBondContact SG-CB 3.46Å; C56-C79 CovalentContact SG-SG 2.03Å; C56-C79 PolarHBondContact SG-SG 3.25Å
57L93.3Very high89.5Confident0 Ų059.9 Ų59.90%029%0.294CS..Hα-helixtrans-57.2-48.5171.7171.459.7000110.9M20 V22 C28 I30 V53 K59 C60 L61 F70 I102M20-L57 HydrophobicContact CB-CD2 3.55Å; M20-L57 HydrophobicContact CE-CB 4.24Å; M20-L57 HydrophobicContact CE-CD2 3.93Å; M20-L57 HydrophobicContact CG-CD2 4.38Å; M20-L57 HydrophobicContact SD-CD2 4.02Å; V22-L57 HydrophobicContact CG2-CD2 3.77Å; V22-L57 HydrophobicContact CG2-CG 4.06Å; C28-L57 HydrophobicContact CB-CD1 4.47Å; C28-L57 HydrophobicContact CB-CD2 3.95Å; I30-L57 HydrophobicContact CD1-CD1 3.87Å; I30-L57 HydrophobicContact CD1-CD2 4.23Å; V53-L57 PolarHBondContact O-N 3.08Å; L57-K59 VanDerWaalsContact C-N 3.32Å; L57-K59 PolarHBondContact O-N 3.18Å; L57-C60 WeakPolarHBondContact O-CA 3.45Å; L57-C60 WeakPolarHBondContact O-CB 3.45Å; L57-C60 PolarHBondContact O-N 3.11Å; L57-L61 HydrophobicContact CD1-CD1 4.05Å; L57-L61 HydrophobicContact CD1-CD2 4.25Å; L57-L61 HydrophobicContact CD1-CG 3.96Å; L57-L61 HydrophobicContact CG-CD1 4.02Å; L57-L61 HydrophobicContact CG-CG 4.35Å; L57-L61 WeakPolarHBondContact O-CG 3.38Å; L57-L61 PolarHBondContact O-N 2.94Å; L57-F70 HydrophobicContact CB-CE1 4.14Å; L57-F70 HydrophobicContact CB-CE2 4.26Å; L57-F70 HydrophobicContact CB-CZ 3.96Å; L57-F70 HydrophobicContact CD1-CD1 4.04Å; L57-F70 HydrophobicContact CD1-CE1 3.64Å; L57-F70 HydrophobicContact CD1-CZ 4.25Å; L57-F70 HydrophobicContact CG-CE1 4.38Å; L57-I102 HydrophobicContact CD1-CD1 3.61Å; L57-I102 HydrophobicContact CD1-CG1 3.88Å
58K91.8Very high89.8Confident68 Ų6860.4 Ų60.430%0.29630%0.298SS..Hα-helixtrans-53.1-49176.4-172-175171.4-1740111.4V22 E54 L55 C56 C60 L61 D62V22-K58 HydrophobicContact CG1-CB 3.69Å; V22-K58 HydrophobicContact CG1-CG 3.87Å; E54-K58 WeakPolarHBondContact O-CB 3.34Å; E54-K58 PolarHBondContact O-N 3.46Å; L55-K58 HydrophobicContact CD1-CD 4.32Å; L55-K58 PolarHBondContact O-N 2.9Å; C56-K58 PolarHBondContact O-N 3.18Å; K58-C60 VanDerWaalsContact C-N 3.29Å; K58-C60 PolarHBondContact O-N 3.4Å; K58-L61 CarbonylContact O-C 3.54Å; K58-L61 WeakPolarHBondContact O-CB 3.45Å; K58-L61 PolarHBondContact O-N 2.81Å; K58-D62 PolarHBondContact O-N 2.02Å
59K92.7Very high90.4Very high72 Ų7255.6 Ų55.631%0.31327%0.272SS..Hα-helixtrans-57.1-40.9175.9-81.6173.8167.6-89.30112.5S47 V50 L55 C56 L57 D62 N63 L81S47-K59 PolarHBondContact OG-NZ 2.94Å; V50-K59 HydrophobicContact CG2-CD 3.82Å; L55-K59 PolarHBondContact O-N 3Å; C56-K59 WeakPolarHBondContact O-CB 3.12Å; C56-K59 PolarHBondContact O-N 2.84Å; L57-K59 VanDerWaalsContact C-N 3.32Å; L57-K59 PolarHBondContact O-N 3.18Å; K59-D62 PolarHBondContact O-N 3.15Å; K59-N63 PolarHBondContact O-N 2.94Å; K59-N63 PolarHBondContact O-ND2 3.5Å; K59-L81 HydrophobicContact CB-CD2 4.28Å
60C93.6Very high90.8Very high0 Ų047.5 Ų47.50%024%0.237CC..Hα-helixtrans-63.9-41.1174.7-171.70000112C56 L57 K58 N63 R64 C67 A69 F70 L81 I102C56-C60 PolarHBondContact O-N 2.83Å; L57-C60 WeakPolarHBondContact O-CA 3.45Å; L57-C60 WeakPolarHBondContact O-CB 3.45Å; L57-C60 PolarHBondContact O-N 3.11Å; K58-C60 VanDerWaalsContact C-N 3.29Å; K58-C60 PolarHBondContact O-N 3.4Å; C60-N63 CarbonylContact O-C 3.48Å; C60-N63 WeakPolarHBondContact O-CA 3.48Å; C60-N63 PolarHBondContact O-N 2.94Å; C60-N63 VanDerWaalsContact O-N 3.11Å; C60-R64 PolarHBondContact O-N 2.83Å; C60-R64 VanDerWaalsContact O-N 3.09Å; C60-C67 WeakPolarHBondContact CA-SG 3.39Å; C60-C67 HydrophobicContact CB-CB 4.12Å; C60-C67 WeakPolarHBondContact CB-SG 3.37Å; C60-C67 WeakPolarHBondContact O-CB 3.37Å; C60-C67 WeakPolarHBondContact SG-CB 3.47Å; C60-C67 CovalentContact SG-SG 2.02Å; C60-C67 PolarHBondContact SG-SG 3.31Å; C60-A69 PolarHBondContact SG-O 2.84Å; C60-F70 HydrophobicContact CB-CB 4.1Å; C60-L81 HydrophobicContact CB-CD2 3.73Å; C60-I102 HydrophobicContact CB-CD1 3.97Å; C60-I102 WeakPolarHBondContact SG-CD1 3.46Å
61L91.2Very high91Very high10 Ų1047.5 Ų47.55%0.05224%0.237CC..Hα-helixtrans-70.1-33.5178.2-61.6173.3000113.4V22 C28 L57 K58 N63 R64 I102 C105V22-L61 HydrophobicContact CB-CD1 4.43Å; V22-L61 HydrophobicContact CG1-CD1 4.24Å; V22-L61 HydrophobicContact CG2-CD1 3.43Å; V22-L61 VanDerWaalsContact CG2-CD1 3.43Å; C28-L61 WeakPolarHBondContact SG-CD1 3.25Å; L57-L61 HydrophobicContact CD1-CD1 4.05Å; L57-L61 HydrophobicContact CD1-CD2 4.25Å; L57-L61 HydrophobicContact CD1-CG 3.96Å; L57-L61 HydrophobicContact CG-CD1 4.02Å; L57-L61 HydrophobicContact CG-CG 4.35Å; L57-L61 WeakPolarHBondContact O-CG 3.38Å; L57-L61 PolarHBondContact O-N 2.94Å; K58-L61 CarbonylContact O-C 3.54Å; K58-L61 WeakPolarHBondContact O-CB 3.45Å; K58-L61 PolarHBondContact O-N 2.81Å; L61-N63 PolarHBondContact O-N 2.03Å; L61-R64 WeakPolarHBondContact O-CB 3.08Å; L61-R64 PolarHBondContact O-N 2.84Å; L61-I102 HydrophobicContact CD2-CD1 3.96Å; L61-I102 HydrophobicContact CD2-CG2 4.26Å; L61-C105 HydrophobicContact CD2-CB 4.21Å; L61-C105 WeakPolarHBondContact CD2-SG 3.43Å
62D90.5Very high91.3Very high94 Ų9441 Ų4150%0.50321%0.206SC..Hα-helixtrans-68.7-18.9173.2-62.4-14.1000110.8R26 K58 K59R26-D62 IonicContact NH2-OD1 3.66Å; R26-D62 PolarHBondContact NH2-OD1 2.86Å; K58-D62 PolarHBondContact O-N 2.02Å; K59-D62 PolarHBondContact O-N 3.15Å
63N89.9Confident91.3Very high55 Ų5539.9 Ų39.929%0.29420%0.198SC..THydrogen-bonded Turntrans-113.830.9174.4-67-85.1000112.5K59 C60 L61 N65 I66 C67 L81K59-N63 PolarHBondContact O-N 2.94Å; K59-N63 PolarHBondContact O-ND2 3.5Å; C60-N63 CarbonylContact O-C 3.48Å; C60-N63 WeakPolarHBondContact O-CA 3.48Å; C60-N63 PolarHBondContact O-N 2.94Å; C60-N63 VanDerWaalsContact O-N 3.11Å; L61-N63 PolarHBondContact O-N 2.03Å; N63-N65 PolarHBondContact O-N 2.9Å; N63-I66 HydrophobicContact CB-CG1 4.07Å; N63-I66 CarbonylContact O-C 3.54Å; N63-I66 WeakPolarHBondContact O-CG1 3.06Å; N63-I66 PolarHBondContact O-N 3.1Å; N63-C67 HydrophobicContact CB-CB 4.43Å; N63-C67 WeakPolarHBondContact O-CB 3.4Å; N63-C67 PolarHBondContact O-N 3.34Å; N63-C67 VanDerWaalsContact O-N 3.08Å; N63-L81 HydrophobicContact CB-CD1 4Å
64R85.9Confident91.1Very high96 Ų9645.8 Ų45.836%0.36222%0.224SC..G310 helixtrans-56.7-28.2-169.4-169.957.2172.8159.2-3.6114.2C60 L61 I66 C67 I102C60-R64 PolarHBondContact O-N 2.83Å; C60-R64 VanDerWaalsContact O-N 3.09Å; L61-R64 WeakPolarHBondContact O-CB 3.08Å; L61-R64 PolarHBondContact O-N 2.84Å; R64-I66 PolarHBondContact O-N 3.38Å; R64-C67 PolarHBondContact NH1-O 3.29Å; R64-C67 PolarHBondContact O-N 3.29Å; R64-I102 VanDerWaalsContact NH1-CB 3.34Å; R64-I102 VanDerWaalsContact NH2-CG2 3.32Å; R64-I102 PolarHBondContact NH2-O 3.5Å
65N84.6Confident91Very high168 Ų16849.2 Ų49.290%0.89824%0.24SC*.G310 helixtrans-59.9-24.7176.6-58.7-14.4000113N63N63-N65 PolarHBondContact O-N 2.9Å
66I85.7Confident90.8Very high89 Ų8951.8 Ų51.846%0.45625%0.252SS..G310 helixtrans-13316-176.362.4166.2000112.4T44 N63 R64 A83T44-I66 PolarHBondContact OG1-O 3.31Å; N63-I66 HydrophobicContact CB-CG1 4.07Å; N63-I66 CarbonylContact O-C 3.54Å; N63-I66 WeakPolarHBondContact O-CG1 3.06Å; N63-I66 PolarHBondContact O-N 3.1Å; R64-I66 PolarHBondContact O-N 3.38Å; I66-A83 VanDerWaalsContact O-CB 3.3Å; I66-A83 WeakPolarHBondContact O-CB 3.46Å
67C91.7Very high90.6Very high3 Ų353.9 Ų53.92%0.0227%0.267CS..  trans-137.5107-176.7-163.20000110.8C60 N63 R64 A69 I82C60-C67 WeakPolarHBondContact CA-SG 3.39Å; C60-C67 HydrophobicContact CB-CB 4.12Å; C60-C67 WeakPolarHBondContact CB-SG 3.37Å; C60-C67 WeakPolarHBondContact O-CB 3.37Å; C60-C67 WeakPolarHBondContact SG-CB 3.47Å; C60-C67 CovalentContact SG-SG 2.02Å; C60-C67 PolarHBondContact SG-SG 3.31Å; N63-C67 HydrophobicContact CB-CB 4.43Å; N63-C67 WeakPolarHBondContact O-CB 3.4Å; N63-C67 PolarHBondContact O-N 3.34Å; N63-C67 VanDerWaalsContact O-N 3.08Å; R64-C67 PolarHBondContact NH1-O 3.29Å; R64-C67 PolarHBondContact O-N 3.29Å; C67-A69 PolarHBondContact SG-O 3.09Å; C67-I82 CarbonylContact C-O 3.54Å; C67-I82 WeakPolarHBondContact CA-O 3.34Å
68S92.1Very high90.6Very high25 Ų2555.4 Ų55.418%0.17527%0.274CS..SBendtrans-98.6-25.7176.455.70000112.4I82 A83 N84 I102S68-I82 PolarHBondContact N-O 2.88Å; S68-I82 PolarHBondContact OG-O 3.29Å; S68-A83 WeakPolarHBondContact OG-CA 3.47Å; S68-N84 WeakPolarHBondContact CB-OD1 3.43Å; S68-N84 PolarHBondContact OG-N 3.16Å; S68-N84 VanDerWaalsContact OG-N 3.11Å; S68-N84 PolarHBondContact OG-OD1 3.32Å; S68-I102 PolarHBondContact O-N 3.28Å
69A93.7Very high90.7Very high0 Ų052.2 Ų52.20%026%0.261CS..EExtended strand (participates in β ladder)trans-143.5165.3179.600000111L38 C60 C67 I82 G100 L101L38-A69 HydrophobicContact CD2-CB 4.46Å; C60-A69 PolarHBondContact SG-O 2.84Å; C67-A69 PolarHBondContact SG-O 3.09Å; A69-I82 HydrophobicContact CB-CB 3.96Å; A69-I82 HydrophobicContact CB-CG2 4.19Å; A69-I82 PolarHBondContact N-O 3.02Å; A69-I82 WeakPolarHBondContact O-CA 3.37Å; A69-I82 WeakPolarHBondContact O-CB 3.28Å; A69-I82 PolarHBondContact O-N 2.92Å; A69-G100 CarbonylContact C-O 3.48Å; A69-G100 WeakPolarHBondContact CA-O 2.78Å; A69-G100 WeakPolarHBondContact CB-O 3.29Å; A69-L101 HydrophobicContact CB-CD1 3.96Å; A69-L101 HydrophobicContact CB-CG 4.03Å
70F94.1Very high90.8Very high0 Ų050.1 Ų50.10%025%0.252CS..EExtended strand (participates in β ladder)trans-140.2159.317566.6-80.2000110.6M20 I30 V53 C56 L57 C60 K80 F98 V99 G100 I102M20-F70 HydrophobicContact CE-CZ 4.44Å; M20-F70 HydrophobicContact SD-CZ 3.85Å; I30-F70 HydrophobicContact CD1-CE1 3.96Å; I30-F70 HydrophobicContact CG1-CE1 4.4Å; I30-F70 HydrophobicContact CG2-CE1 4.04Å; I30-F70 HydrophobicContact CG2-CZ 4.19Å; V53-F70 HydrophobicContact CG2-CE2 3.77Å; V53-F70 HydrophobicContact CG2-CZ 4.5Å; C56-F70 HydrophobicContact CB-CD2 4.3Å; L57-F70 HydrophobicContact CB-CE1 4.14Å; L57-F70 HydrophobicContact CB-CE2 4.26Å; L57-F70 HydrophobicContact CB-CZ 3.96Å; L57-F70 HydrophobicContact CD1-CD1 4.04Å; L57-F70 HydrophobicContact CD1-CE1 3.64Å; L57-F70 HydrophobicContact CD1-CZ 4.25Å; L57-F70 HydrophobicContact CG-CE1 4.38Å; C60-F70 HydrophobicContact CB-CB 4.1Å; F70-K80 CarbonylContact C-O 3.48Å; F70-K80 VanDerWaalsContact CA-O 3.29Å; F70-K80 WeakPolarHBondContact CA-O 3.25Å; F70-F98 AromaticContact CE2-CD1 3.72Å; F70-F98 HydrophobicContact CE2-CD1 3.72Å; F70-F98 AromaticContact CE2-CE1 3.79Å; F70-F98 HydrophobicContact CE2-CE1 3.79Å; F70-F98 HydrophobicContact CZ-CD1 4.06Å; F70-F98 AromaticContact CZ-CE1 3.63Å; F70-F98 HydrophobicContact CZ-CE1 3.63Å; F70-V99 WeakPolarHBondContact O-CA 3.48Å; F70-G100 WeakPolarHBondContact CD1-O 3.34Å; F70-G100 PolarHBondContact N-O 3.33Å; F70-G100 PolarHBondContact O-N 3.23Å; F70-I102 HydrophobicContact CD1-CD1 4.1Å; F70-I102 HydrophobicContact CD1-CG1 3.96Å; F70-I102 HydrophobicContact CE1-CG1 4.07Å
71S94Very high90.8Very high0 Ų050.1 Ų50.10%025%0.252CS..EExtended strand (participates in β ladder)trans-132.5131.7177.8-150.90000110C79 K80 E97 F98S71-C79 CarbonylContact O-C 3.56Å; S71-C79 WeakPolarHBondContact O-CA 3.46Å; S71-K80 PolarHBondContact N-O 3.48Å; S71-K80 PolarHBondContact O-N 2.98Å; S71-E97 WeakPolarHBondContact CB-OE1 3.43Å; S71-E97 WeakPolarHBondContact OG-CG 3.07Å; S71-E97 PolarHBondContact OG-OE1 2.88Å; S71-F98 CarbonylContact C-O 3.53Å; S71-F98 VanDerWaalsContact CA-O 3.28Å; S71-F98 WeakPolarHBondContact CA-O 3.43Å
72Y94Very high90.9Very high14 Ų1449.7 Ų49.76%0.05525%0.249CC..EExtended strand (participates in β ladder)trans-129.3125.2-178.6-178.3-107.6000111V50 E51 S52 V53 C56 E74 L78 F98V50-Y72 HydrophobicContact CB-CE2 4.3Å; V50-Y72 HydrophobicContact CG1-CE2 4.24Å; V50-Y72 VanDerWaalsContact O-CE2 3.25Å; V50-Y72 WeakPolarHBondContact O-CE2 3.03Å; V50-Y72 PolarHBondContact O-OH 3.02Å; V50-Y72 VanDerWaalsContact O-OH 3.1Å; E51-Y72 VanDerWaalsContact C-OH 3.3Å; E51-Y72 PolarHBondContact O-OH 3.48Å; S52-Y72 PolarHBondContact N-OH 2.84Å; V53-Y72 HydrophobicContact CB-CD1 3.68Å; V53-Y72 HydrophobicContact CB-CE1 4.21Å; V53-Y72 HydrophobicContact CB-CG 4.13Å; V53-Y72 HydrophobicContact CG2-CD1 4.15Å; V53-Y72 HydrophobicContact CG2-CG 4.32Å; C56-Y72 HydrophobicContact CB-CD2 3.9Å; C56-Y72 HydrophobicContact CB-CG 4.34Å; Y72-E74 HydrophobicContact CE1-CB 3.91Å; Y72-E74 HydrophobicContact CE1-CG 4.32Å; Y72-L78 WeakPolarHBondContact CA-O 3.37Å; Y72-F98 PolarHBondContact N-O 2.82Å; Y72-F98 PolarHBondContact O-N 3.11Å
73V91.6Very high91Very high1 Ų145.9 Ų45.91%0.00623%0.231CC..EExtended strand (participates in β ladder)trans-111.3107.1174.8-176.50000108M76 S77 L78 W93 E97V73-M76 HydrophobicContact CB-CB 4.43Å; V73-M76 HydrophobicContact CG1-CB 4.18Å; V73-M76 HydrophobicContact CG1-CG 4.01Å; V73-M76 HydrophobicContact CG1-SD 4.3Å; V73-M76 PolarHBondContact O-N 2.98Å; V73-S77 PolarHBondContact O-N 3.49Å; V73-L78 HydrophobicContact CB-CB 4.39Å; V73-L78 PolarHBondContact N-O 3.02Å; V73-L78 PolarHBondContact O-N 2.92Å; V73-L78 VanDerWaalsContact O-N 3.13Å; V73-W93 HydrophobicContact CG1-CE3 3.97Å; V73-W93 HydrophobicContact CG1-CZ3 4.18Å; V73-E97 HydrophobicContact CG2-CB 4.11Å; V73-E97 HydrophobicContact CG2-CG 3.72Å
74E87.6Confident90.9Very high149 Ų14948.7 Ų48.770%0.69625%0.246SC*.G310 helixtrans-60.9-47.5-173.2-173.6170.8-162.400112.4Y72 M76 S77Y72-E74 HydrophobicContact CE1-CB 3.91Å; Y72-E74 HydrophobicContact CE1-CG 4.32Å; E74-M76 PolarHBondContact O-N 2.82Å; E74-M76 VanDerWaalsContact O-N 3.09Å; E74-S77 PolarHBondContact O-N 3.05Å
75E86.8Confident90.9Very high147 Ų14745.3 Ų45.369%0.68724%0.238SC*.G310 helixtrans-56.8-29.4180-66.6177.5-168.900113.4Q96E75-Q96 PolarHBondContact OE1-NE2 2.83Å
76M87.7Confident90.7Very high97 Ų9743.3 Ų43.348%0.47823%0.232SC..G310 helixtrans-103-5-179.2-60.8-175.577.400113.3V73 E74 L78 W93V73-M76 HydrophobicContact CB-CB 4.43Å; V73-M76 HydrophobicContact CG1-CB 4.18Å; V73-M76 HydrophobicContact CG1-CG 4.01Å; V73-M76 HydrophobicContact CG1-SD 4.3Å; V73-M76 PolarHBondContact O-N 2.98Å; E74-M76 PolarHBondContact O-N 2.82Å; E74-M76 VanDerWaalsContact O-N 3.09Å; M76-L78 HydrophobicContact CB-CB 3.77Å; M76-L78 PolarHBondContact O-N 3.34Å; M76-L78 VanDerWaalsContact O-N 3.12Å; M76-L78 HydrophobicContact SD-CD2 4.37Å; M76-W93 HydrophobicContact CE-CH2 4.27Å; M76-W93 HydrophobicContact CG-CH2 4.48Å; M76-W93 HydrophobicContact CG-CZ3 4.34Å; M76-W93 HydrophobicContact SD-CE3 4.45Å; M76-W93 HydrophobicContact SD-CH2 3.19Å; M76-W93 WeakPolarHBondContact SD-CH2 3.3Å; M76-W93 HydrophobicContact SD-CZ2 3.95Å; M76-W93 HydrophobicContact SD-CZ3 3.49Å; M76-W93 WeakPolarHBondContact SD-CZ3 3Å
77S90.9Very high90.4Very high44 Ų4448.3 Ų48.331%0.30825%0.254SS..THydrogen-bonded Turntrans48.236.2-167-59.20000112D48 K49 V50 V73 E74D48-S77 CarbonylContact C-O 3.58Å; K49-S77 PolarHBondContact N-O 3.13Å; V50-S77 PolarHBondContact N-O 3.01Å; V50-S77 WeakPolarHBondContact O-CA 3.3Å; V50-S77 WeakPolarHBondContact O-CB 3.02Å; V73-S77 PolarHBondContact O-N 3.49Å; E74-S77 PolarHBondContact O-N 3.05Å
78L92.4Very high90.2Very high31 Ų3150.7 Ų50.716%0.16227%0.268CS..EExtended strand (participates in β ladder)trans-101.1122.1-171.4-179.966.6000109.9F46 Y72 V73 M76F46-L78 HydrophobicContact CB-CD1 4.4Å; F46-L78 HydrophobicContact CD2-CD1 4.35Å; Y72-L78 WeakPolarHBondContact CA-O 3.37Å; V73-L78 HydrophobicContact CB-CB 4.39Å; V73-L78 PolarHBondContact N-O 3.02Å; V73-L78 PolarHBondContact O-N 2.92Å; V73-L78 VanDerWaalsContact O-N 3.13Å; M76-L78 HydrophobicContact CB-CB 3.77Å; M76-L78 PolarHBondContact O-N 3.34Å; M76-L78 VanDerWaalsContact O-N 3.12Å; M76-L78 HydrophobicContact SD-CD2 4.37Å
79C94.4Very high89.9Confident1 Ų151.8 Ų51.81%0.00728%0.279CS..EExtended strand (participates in β ladder)trans-110.4127.3174.6178.20000110.5F46 S47 V50 C56 S71F46-C79 CarbonylContact C-O 3.59Å; F46-C79 VanDerWaalsContact CA-O 3.25Å; F46-C79 WeakPolarHBondContact CA-O 3.35Å; S47-C79 PolarHBondContact N-O 3.34Å; S47-C79 PolarHBondContact O-N 3.02Å; V50-C79 HydrophobicContact CB-CB 3.85Å; V50-C79 HydrophobicContact CG1-CB 4.07Å; V50-C79 HydrophobicContact CG2-CB 3.55Å; C56-C79 WeakPolarHBondContact CA-SG 3.23Å; C56-C79 HydrophobicContact CB-CB 3.69Å; C56-C79 WeakPolarHBondContact CB-SG 3.28Å; C56-C79 VanDerWaalsContact SG-CA 3.54Å; C56-C79 WeakPolarHBondContact SG-CB 3.46Å; C56-C79 CovalentContact SG-SG 2.03Å; C56-C79 PolarHBondContact SG-SG 3.25Å; S71-C79 CarbonylContact O-C 3.56Å; S71-C79 WeakPolarHBondContact O-CA 3.46Å
80K94Very high89.5Confident28 Ų2852.2 Ų52.212%0.12228%0.281CS..EExtended strand (participates in β ladder)trans-112.8128.5172.9-53.7169.4-168.4152.20109V43 Q45 F70 S71 E97V43-K80 HydrophobicContact CG1-CB 4.11Å; V43-K80 HydrophobicContact CG2-CB 4.47Å; V43-K80 HydrophobicContact CG2-CD 4.44Å; Q45-K80 WeakPolarHBondContact O-CA 3.38Å; F70-K80 CarbonylContact C-O 3.48Å; F70-K80 VanDerWaalsContact CA-O 3.29Å; F70-K80 WeakPolarHBondContact CA-O 3.25Å; S71-K80 PolarHBondContact N-O 3.48Å; S71-K80 PolarHBondContact O-N 2.98Å; K80-E97 IonicContact NZ-OE1 2.89Å; K80-E97 PolarHBondContact NZ-OE1 2.87Å
81L94.5Very high89.1Confident1 Ų158.8 Ų58.81%0.00531%0.31CS..EExtended strand (participates in β ladder)trans-90.7132.3171.3-56.1-165.6000108.7V43 T44 Q45 K59 C60 N63V43-L81 CarbonylContact C-O 2.82Å; V43-L81 WeakPolarHBondContact CA-O 3.41Å; T44-L81 PolarHBondContact N-O 2.87Å; T44-L81 PolarHBondContact OG1-O 3.39Å; Q45-L81 HydrophobicContact CB-CB 4.14Å; Q45-L81 HydrophobicContact CB-CD1 4.19Å; Q45-L81 HydrophobicContact CB-CG 4.23Å; Q45-L81 PolarHBondContact O-N 2.54Å; K59-L81 HydrophobicContact CB-CD2 4.28Å; C60-L81 HydrophobicContact CB-CD2 3.73Å; N63-L81 HydrophobicContact CB-CD1 4Å
82I94Very high88.7Confident0 Ų059.3 Ų59.30%031%0.313CS..EExtended strand (participates in β ladder)trans-124.5133.3-172.1-58.7173.1000109L38 M41 K42 V43 C67 S68 A69 V90L38-I82 HydrophobicContact CD2-CD1 4.41Å; L38-I82 HydrophobicContact CD2-CG2 4.19Å; M41-I82 HydrophobicContact CB-CG2 3.69Å; M41-I82 HydrophobicContact CG-CG2 4.23Å; M41-I82 HydrophobicContact SD-CG2 4.05Å; K42-I82 WeakPolarHBondContact O-CA 3.13Å; V43-I82 HydrophobicContact CG2-CG1 4.35Å; C67-I82 CarbonylContact C-O 3.54Å; C67-I82 WeakPolarHBondContact CA-O 3.34Å; S68-I82 PolarHBondContact N-O 2.88Å; S68-I82 PolarHBondContact OG-O 3.29Å; A69-I82 HydrophobicContact CB-CB 3.96Å; A69-I82 HydrophobicContact CB-CG2 4.19Å; A69-I82 PolarHBondContact N-O 3.02Å; A69-I82 WeakPolarHBondContact O-CA 3.37Å; A69-I82 WeakPolarHBondContact O-CB 3.28Å; A69-I82 PolarHBondContact O-N 2.92Å; I82-V90 HydrophobicContact CD1-CG1 4.15Å; I82-V90 HydrophobicContact CD1-CG2 4.46Å; I82-V90 HydrophobicContact CG2-CG2 4.07Å
83A92.4Very high88Confident15 Ų1564.7 Ų64.712%0.12433%0.333CS..EExtended strand (participates in β ladder)trans-115.7157.6173.600000111.2M41 K42 T44 I66 S68 A85M41-A83 CarbonylContact C-O 3.48Å; M41-A83 VanDerWaalsContact CA-O 3.25Å; M41-A83 WeakPolarHBondContact CA-O 3.48Å; K42-A83 PolarHBondContact N-O 3.23Å; K42-A83 PolarHBondContact O-N 2.8Å; T44-A83 HydrophobicContact CG2-CB 3.45Å; T44-A83 VanDerWaalsContact CG2-CB 3.45Å; I66-A83 VanDerWaalsContact O-CB 3.3Å; I66-A83 WeakPolarHBondContact O-CB 3.46Å; S68-A83 WeakPolarHBondContact OG-CA 3.47Å; A83-A85 PolarHBondContact O-N 2.65Å
84N87.2Confident87.2Confident114 Ų11466.5 Ų66.561%0.6135%0.352SS*.EExtended strand (participates in β ladder)trans-61.6131.9165.7-62.3-7.8000109M41 S68M41-N84 WeakPolarHBondContact CE-OD1 3.32Å; M41-N84 HydrophobicContact SD-CB 4.49Å; M41-N84 PolarHBondContact SD-OD1 2.95Å; S68-N84 WeakPolarHBondContact CB-OD1 3.43Å; S68-N84 PolarHBondContact OG-N 3.16Å; S68-N84 VanDerWaalsContact OG-N 3.11Å; S68-N84 PolarHBondContact OG-OD1 3.32Å
85A85Confident86.4Confident24 Ų2466 Ų6620%0.19836%0.359CS..EExtended strand (participates in β ladder)trans-149.4139.517800000109.8G40 M41 K42 A83 T88G40-A85 CarbonylContact C-O 3.58Å; G40-A85 WeakPolarHBondContact CA-O 3.18Å; G40-A85 PolarHBondContact O-N 3.38Å; M41-A85 PolarHBondContact N-O 3.36Å; K42-A85 HydrophobicContact CB-CB 3.53Å; A83-A85 PolarHBondContact O-N 2.65Å; A85-T88 VanDerWaalsContact CB-OG1 3.27Å; A85-T88 WeakPolarHBondContact CB-OG1 3.45Å
86V80.8Confident86Confident127 Ų12764 Ų6477%0.7735%0.35SS*.EExtended strand (participates in β ladder)trans-77.4137.6-177.5-178.10000109.3T88V86-T88 VanDerWaalsContact C-N 3.26Å; V86-T88 PolarHBondContact O-N 2.89Å
87Q79.5Confident86Confident193 Ų19359.8 Ų59.890%0.90233%0.329SS*.EExtended strand (participates in β ladder)trans62.117.1173.9-67.8168.73.300116.9
88T87.9Confident86Confident53 Ų5359.1 Ų59.133%0.32532%0.32SS..EExtended strand (participates in β ladder)trans-111.2166.3173.559.50000111.8G40 M41 A85 V86G40-T88 PolarHBondContact N-O 2.89Å; M41-T88 PolarHBondContact N-O 3.11Å; M41-T88 CarbonylContact O-C 3.52Å; M41-T88 WeakPolarHBondContact O-CB 3.39Å; M41-T88 PolarHBondContact O-OG1 3.02Å; A85-T88 VanDerWaalsContact CB-OG1 3.27Å; A85-T88 WeakPolarHBondContact CB-OG1 3.45Å; V86-T88 VanDerWaalsContact C-N 3.26Å; V86-T88 PolarHBondContact O-N 2.89Å
89A85Confident86Confident49 Ų4957.7 Ų57.741%0.40531%0.313SS..EExtended strand (participates in β ladder)trans-141.4144.1170.100000110.6Y37 L38 M41Y37-A89 HydrophobicContact CD1-CB 4.49Å; L38-A89 CarbonylContact O-C 3.52Å; L38-A89 VanDerWaalsContact O-CA 3.28Å; L38-A89 WeakPolarHBondContact O-CA 3.18Å; M41-A89 PolarHBondContact O-N 2.64Å
90V85.3Confident85.9Confident8 Ų857.7 Ų57.75%0.04831%0.313CS..EExtended strand (participates in β ladder)trans-97.3121.4171.4-177.70000108.5Y37 L38 M41 V43 I82 L92Y37-V90 CarbonylContact C-O 3.53Å; Y37-V90 VanDerWaalsContact CA-O 3.3Å; Y37-V90 WeakPolarHBondContact CA-O 2.99Å; L38-V90 HydrophobicContact CB-CB 4.29Å; L38-V90 PolarHBondContact N-O 2.04Å; L38-V90 PolarHBondContact O-N 2.97Å; M41-V90 HydrophobicContact CB-CG2 4.06Å; V43-V90 HydrophobicContact CG2-CB 4.44Å; V43-V90 HydrophobicContact CG2-CG1 3.65Å; V43-V90 HydrophobicContact CG2-CG2 3.92Å; I82-V90 HydrophobicContact CD1-CG1 4.15Å; I82-V90 HydrophobicContact CD1-CG2 4.46Å; I82-V90 HydrophobicContact CG2-CG2 4.07Å; V90-L92 HydrophobicContact CG1-CD2 4.11Å
91K87.1Confident85.7Confident139 Ų13957.6 Ų57.660%0.60431%0.314SS*.EExtended strand (participates in β ladder)trans-75130.1171.9-174176.2-179.9-179.90109.7Y37Y37-K91 HydrophobicContact CD1-CB 4Å; Y37-K91 HydrophobicContact CD1-CG 4.29Å; Y37-K91 HydrophobicContact CE1-CB 3.71Å; Y37-K91 HydrophobicContact CE1-CD 4.16Å; Y37-K91 HydrophobicContact CE1-CG 3.73Å
92L84.7Confident85.5Confident10 Ų1058 Ų585%0.05232%0.316CS..  trans-105.1150.5-179.1-55.2174.4000110.2I33 A35 G36 L38 V90 G94 E97 V99I33-L92 HydrophobicContact CG2-CD1 4.48Å; A35-L92 WeakPolarHBondContact O-CB 3.3Å; A35-L92 VanDerWaalsContact O-CD1 3.23Å; A35-L92 WeakPolarHBondContact O-CD1 3.41Å; G36-L92 PolarHBondContact O-N 3.27Å; L38-L92 HydrophobicContact CB-CD1 4.28Å; V90-L92 HydrophobicContact CG1-CD2 4.11Å; L92-G94 PolarHBondContact O-N 2.81Å; L92-E97 WeakPolarHBondContact CA-OE2 3.11Å; L92-V99 HydrophobicContact CD1-CB 4.4Å; L92-V99 HydrophobicContact CD1-CG1 4.22Å; L92-V99 HydrophobicContact CD1-CG2 3.8Å; L92-V99 HydrophobicContact CD2-CG1 4.21Å; L92-V99 HydrophobicContact CD2-CG2 3.59Å; L92-V99 HydrophobicContact CG-CG2 4.13Å
93W79.7Confident85.2Confident127 Ų12761.9 Ų61.948%0.48133%0.333SS..  trans-82.116.7178.9-82.330000113V73 M76 E97V73-W93 HydrophobicContact CG1-CE3 3.97Å; V73-W93 HydrophobicContact CG1-CZ3 4.18Å; M76-W93 HydrophobicContact CE-CH2 4.27Å; M76-W93 HydrophobicContact CG-CH2 4.48Å; M76-W93 HydrophobicContact CG-CZ3 4.34Å; M76-W93 HydrophobicContact SD-CE3 4.45Å; M76-W93 HydrophobicContact SD-CH2 3.19Å; M76-W93 WeakPolarHBondContact SD-CH2 3.3Å; M76-W93 HydrophobicContact SD-CZ2 3.95Å; M76-W93 HydrophobicContact SD-CZ3 3.49Å; M76-W93 WeakPolarHBondContact SD-CZ3 3Å; W93-E97 HydrophobicContact CB-CB 3.98Å; W93-E97 PolarHBondContact N-OE2 3.39Å
94G74.2Confident84.6Confident39 Ų3964.2 Ų64.240%0.40234%0.343SS..G310 helixtrans73.6-140.2178.700000112.3L92 Q96 E97L92-G94 PolarHBondContact O-N 2.81Å; G94-Q96 VanDerWaalsContact C-N 3.26Å; G94-Q96 PolarHBondContact O-N 2.63Å; G94-E97 PolarHBondContact O-N 3.25Å
95T71.4Confident84.3Confident138 Ų13860.3 Ų60.385%0.84732%0.324SS*.G310 helixtrans-72-14.4-170.350.70000114.9E97T95-E97 VanDerWaalsContact C-N 3.34Å
96Q77.9Confident83.8Confident107 Ų10761.2 Ų61.250%0.533%0.329SS..G310 helixtrans-82.1-12.4176.9-70.4178.8-55.500113.2E75 G94E75-Q96 PolarHBondContact OE1-NE2 2.83Å; G94-Q96 VanDerWaalsContact C-N 3.26Å; G94-Q96 PolarHBondContact O-N 2.63Å
97E87.7Confident83.1Confident8 Ų860 Ų604%0.03732%0.324CS..EExtended strand (participates in β ladder)trans-105.1128.5-179.1-173.1170-14800110.3S71 V73 K80 L92 W93 G94 T95 V99S71-E97 WeakPolarHBondContact CB-OE1 3.43Å; S71-E97 WeakPolarHBondContact OG-CG 3.07Å; S71-E97 PolarHBondContact OG-OE1 2.88Å; V73-E97 HydrophobicContact CG2-CB 4.11Å; V73-E97 HydrophobicContact CG2-CG 3.72Å; K80-E97 IonicContact NZ-OE1 2.89Å; K80-E97 PolarHBondContact NZ-OE1 2.87Å; L92-E97 WeakPolarHBondContact CA-OE2 3.11Å; W93-E97 HydrophobicContact CB-CB 3.98Å; W93-E97 PolarHBondContact N-OE2 3.39Å; G94-E97 PolarHBondContact O-N 3.25Å; T95-E97 VanDerWaalsContact C-N 3.34Å; E97-V99 HydrophobicContact CG-CG2 3.97Å; E97-V99 PolarHBondContact O-N 2.78Å
98F91Very high82Confident29 Ų2952.1 Ų52.113%0.12730%0.295CS..EExtended strand (participates in β ladder)trans-83.6113.8170.6-172.9-77.1000108.9M20 I30 V53 F70 S71 Y72M20-F98 HydrophobicContact SD-CE1 4.01Å; M20-F98 HydrophobicContact SD-CZ 3.91Å; I30-F98 HydrophobicContact CG2-CE1 4.18Å; I30-F98 HydrophobicContact CG2-CZ 4.42Å; V53-F98 HydrophobicContact CG2-CB 4.09Å; V53-F98 HydrophobicContact CG2-CD1 3.49Å; V53-F98 VanDerWaalsContact CG2-CD1 3.49Å; V53-F98 HydrophobicContact CG2-CD2 4.23Å; V53-F98 HydrophobicContact CG2-CE1 3.94Å; V53-F98 HydrophobicContact CG2-CG 3.66Å; V53-F98 HydrophobicContact CG2-CZ 4.48Å; F70-F98 AromaticContact CE2-CD1 3.72Å; F70-F98 HydrophobicContact CE2-CD1 3.72Å; F70-F98 AromaticContact CE2-CE1 3.79Å; F70-F98 HydrophobicContact CE2-CE1 3.79Å; F70-F98 HydrophobicContact CZ-CD1 4.06Å; F70-F98 AromaticContact CZ-CE1 3.63Å; F70-F98 HydrophobicContact CZ-CE1 3.63Å; S71-F98 CarbonylContact C-O 3.53Å; S71-F98 VanDerWaalsContact CA-O 3.28Å; S71-F98 WeakPolarHBondContact CA-O 3.43Å; Y72-F98 PolarHBondContact N-O 2.82Å; Y72-F98 PolarHBondContact O-N 3.11Å
99V92.6Very high80Confident2 Ų253.4 Ų53.41%0.01231%0.311CS..EExtended strand (participates in β ladder)trans-114.2119.6177.6-172.40000109.1R32 I33 L38 F70 L92 E97R32-V99 WeakPolarHBondContact CA-O 3.4Å; I33-V99 HydrophobicContact CB-CB 4.23Å; I33-V99 HydrophobicContact CB-CG1 4.12Å; I33-V99 PolarHBondContact N-O 3.38Å; L38-V99 HydrophobicContact CD2-CG1 4.5Å; F70-V99 WeakPolarHBondContact O-CA 3.48Å; L92-V99 HydrophobicContact CD1-CB 4.4Å; L92-V99 HydrophobicContact CD1-CG1 4.22Å; L92-V99 HydrophobicContact CD1-CG2 3.8Å; L92-V99 HydrophobicContact CD2-CG1 4.21Å; L92-V99 HydrophobicContact CD2-CG2 3.59Å; L92-V99 HydrophobicContact CG-CG2 4.13Å; E97-V99 HydrophobicContact CG-CG2 3.97Å; E97-V99 PolarHBondContact O-N 2.78Å
100G91.5Very high78.1Confident0 Ų059.9 Ų59.90%033%0.333CS..EExtended strand (participates in β ladder)trans-123.8120.2-176.400000112.7A69 F70A69-G100 CarbonylContact C-O 3.48Å; A69-G100 WeakPolarHBondContact CA-O 2.78Å; A69-G100 WeakPolarHBondContact CB-O 3.29Å; F70-G100 WeakPolarHBondContact CD1-O 3.34Å; F70-G100 PolarHBondContact N-O 3.33Å; F70-G100 PolarHBondContact O-N 3.23Å
101L90.9Very high76.2Confident27 Ų2764 Ų6414%0.14135%0.351CS..EExtended strand (participates in β ladder)trans-85.9121.9165.7-85.964.2000109I30 E31 I33 L38 M41 A69 K103I30-L101 CarbonylContact C-O 3.53Å; I30-L101 WeakPolarHBondContact CA-O 3.4Å; E31-L101 HydrophobicContact CB-CB 4.23Å; E31-L101 PolarHBondContact N-O 3.08Å; E31-L101 PolarHBondContact O-N 3.1Å; I33-L101 HydrophobicContact CD1-CD1 4.05Å; I33-L101 HydrophobicContact CG1-CD1 3.36Å; L38-L101 HydrophobicContact CD1-CD1 4Å; L38-L101 HydrophobicContact CD2-CD1 4.11Å; M41-L101 HydrophobicContact CE-CD2 4.29Å; A69-L101 HydrophobicContact CB-CD1 3.96Å; A69-L101 HydrophobicContact CB-CG 4.03Å; L101-K103 PolarHBondContact O-N 2.84Å
102I90.1Very high74.1Confident10 Ų1061.3 Ų61.35%0.05135%0.35CS..EExtended strand (participates in β ladder)trans-83.5105.8-178.6-53.7170.3000108.7I30 L57 C60 L61 R64 S68 F70 C105I30-I102 HydrophobicContact CD1-CB 4.19Å; I30-I102 HydrophobicContact CD1-CG1 3.79Å; I30-I102 HydrophobicContact CD1-CG2 4.24Å; L57-I102 HydrophobicContact CD1-CD1 3.61Å; L57-I102 HydrophobicContact CD1-CG1 3.88Å; C60-I102 HydrophobicContact CB-CD1 3.97Å; C60-I102 WeakPolarHBondContact SG-CD1 3.46Å; L61-I102 HydrophobicContact CD2-CD1 3.96Å; L61-I102 HydrophobicContact CD2-CG2 4.26Å; R64-I102 VanDerWaalsContact NH1-CB 3.34Å; R64-I102 VanDerWaalsContact NH2-CG2 3.32Å; R64-I102 PolarHBondContact NH2-O 3.5Å; S68-I102 PolarHBondContact O-N 3.28Å; F70-I102 HydrophobicContact CD1-CD1 4.1Å; F70-I102 HydrophobicContact CD1-CG1 3.96Å; F70-I102 HydrophobicContact CE1-CG1 4.07Å; I102-C105 WeakPolarHBondContact CG2-SG 3.35Å
103K86.4Confident72.7Confident81 Ų8165.8 Ų65.835%0.35237%0.371SS..EExtended strand (participates in β ladder)trans-79.2-47.4179.7-63.8-63.2-176.3-1790112.7M17 M29 E31 L101 Y219M17-K103 HydrophobicContact SD-CG 4.11Å; M29-K103 HydrophobicContact CB-CB 4.16Å; M29-K103 PolarHBondContact O-N 2.97Å; E31-K103 HydrophobicContact CB-CG 4.26Å; E31-K103 WeakPolarHBondContact OE2-CE 3.33Å; E31-K103 IonicContact OE2-NZ 3.27Å; E31-K103 PolarHBondContact OE2-NZ 2.98Å; L101-K103 PolarHBondContact O-N 2.84Å; K103-Y219 HydrophobicContact CB-CD1 4.25Å; K103-Y219 HydrophobicContact CB-CE1 3.74Å; K103-Y219 HydrophobicContact CD-CE1 4.26Å; K103-Y219 HydrophobicContact CG-CE1 3.94Å
104D81.8Confident71.3Confident64 Ų6469.9 Ų69.934%0.34239%0.386SS..EExtended strand (participates in β ladder)trans-153.6150.8-179.4-171.619.8000109.7C28 M29C28-D104 CarbonylContact C-O 3.52Å; C28-D104 WeakPolarHBondContact CA-O 3.26Å; M29-D104 HydrophobicContact CB-CB 4.35Å; M29-D104 PolarHBondContact N-O 2.9Å
105C80.9Confident70.3Confident31 Ų3171.3 Ų71.321%0.20939%0.388CS..EExtended strand (participates in β ladder)trans-143119.4172-71.30000109S27 C28 L61 I102S27-C105 WeakPolarHBondContact O-CA 3.2Å; C28-C105 HydrophobicContact CB-CB 4.21Å; C28-C105 WeakPolarHBondContact CB-SG 3.21Å; C28-C105 WeakPolarHBondContact SG-CB 3.35Å; C28-C105 CovalentContact SG-SG 2.04Å; C28-C105 PolarHBondContact SG-SG 2.86Å; L61-C105 HydrophobicContact CD2-CB 4.21Å; L61-C105 WeakPolarHBondContact CD2-SG 3.43Å; I102-C105 WeakPolarHBondContact CG2-SG 3.35Å
106S72.7Confident69.6Low43 Ų4367.4 Ų67.430%0.30137%0.365SS..EExtended strand (participates in β ladder)trans-104143.2178-370000109.8S27 G108S27-S106 PolarHBondContact N-O 3.25Å; S27-S106 VanDerWaalsContact N-O 3.1Å; S27-S106 PolarHBondContact O-N 2.85Å; S27-S106 VanDerWaalsContact O-N 3.08Å; S106-G108 PolarHBondContact O-N 3.07Å
107P68Low68.7Low101 Ų10171.8 Ų71.866%0.65638%0.383SS*.  trans-49.1136.3167.1-23.132.2000109.9A109P107-A109 HydrophobicContact CB-CB 4.15Å; P107-A109 PolarHBondContact O-N 3.28Å
108G54.9Low67.6Low29 Ų2977.6 Ų77.630%0.29941%0.41SS..  trans-66.6-1.4171.300000113.8G25 S106 E110G25-G108 WeakPolarHBondContact O-CA 3Å; S106-G108 PolarHBondContact O-N 3.07Å; G108-E110 PolarHBondContact O-N 3.26Å; G108-E110 VanDerWaalsContact O-N 3.16Å
109A46.7Very low66.9Low80 Ų8076.9 Ų76.966%0.66141%0.407SS*.  trans-72.2102.8-174.800000110.9P107 E111P107-A109 HydrophobicContact CB-CB 4.15Å; P107-A109 PolarHBondContact O-N 3.28Å; A109-E111 PolarHBondContact O-N 2.87Å; A109-E111 VanDerWaalsContact O-N 3.09Å
110E45.1Very low66.8Low184 Ų18479 Ų7986%0.8642%0.421SS*.  trans16.583139.3-65.4-179.2144.900116.2G108 S112G108-E110 PolarHBondContact O-N 3.26Å; G108-E110 VanDerWaalsContact O-N 3.16Å; E110-S112 VanDerWaalsContact C-N 3.3Å; E110-S112 PolarHBondContact O-N 2.86Å
111E45.5Very low66.9Low94 Ų9479.2 Ų79.244%0.43942%0.422SS..  trans-74.6104.2134.3-163.3170.2-169.900105A109 Q113 Y263A109-E111 PolarHBondContact O-N 2.87Å; A109-E111 VanDerWaalsContact O-N 3.09Å; E111-Q113 VanDerWaalsContact C-N 3.28Å; E111-Q113 PolarHBondContact O-N 2.59Å; E111-Y263 PolarHBondContact OE2-OH 2.76Å
112S43.3Very low67.2Low83 Ų8377.9 Ų77.958%0.5842%0.415SS*.  trans-43.995172.8152.50000109.2E110 R114E110-S112 VanDerWaalsContact C-N 3.3Å; E110-S112 PolarHBondContact O-N 2.86Å; S112-R114 PolarHBondContact O-N 2.88Å
113Q54.3Low67.3Low104 Ų10481.7 Ų81.749%0.48643%0.431SS..  trans-71.640171.6-65.7-175.3-10.700110.2E111 P115E111-Q113 VanDerWaalsContact C-N 3.28Å; E111-Q113 PolarHBondContact O-N 2.59Å; Q113-P115 WeakPolarHBondContact O-CD 3.39Å; Q113-P115 VanDerWaalsContact O-N 3.16Å
114R51.4Low67.6Low213 Ų21378.2 Ų78.280%0.80442%0.417SS*.  trans-69.3114.6165.6-82.5-171-172.7-173.63.8105.7S112S112-R114 PolarHBondContact O-N 2.88Å
115P52Low68.1Low69 Ų6982.3 Ų82.345%0.44843%0.429SS..  trans-53.8136.2172.723.3-32000107.2Q113 K117 F260Q113-P115 WeakPolarHBondContact O-CD 3.39Å; Q113-P115 VanDerWaalsContact O-N 3.16Å; P115-K117 PolarHBondContact O-N 2.59Å; P115-K117 VanDerWaalsContact O-N 3.17Å; P115-F260 WeakPolarHBondContact CB-O 3.13Å
116P56.9Low68.6Low56 Ų5683.5 Ų83.536%0.36443%0.431SS..  trans-47.8130.1164-21.931.2000107H118 V119P116-H118 CarbonylContact O-C 3.37Å; P116-H118 WeakPolarHBondContact O-CA 3.4Å; P116-H118 PolarHBondContact O-N 3.35Å; P116-V119 HydrophobicContact CB-CG2 4Å; P116-V119 HydrophobicContact CG-CG2 3.82Å
117K59.8Low69.4Low200 Ų20088.9 Ų88.987%0.8744%0.444SS*.SBendtrans-48.2-27.5-171.4-79.4-176.5176.6179.60112.7P115P115-K117 PolarHBondContact O-N 2.59Å; P115-K117 VanDerWaalsContact O-N 3.17Å
118H64.5Low70.5Confident130 Ų13084.8 Ų84.860%0.60242%0.418SS*.SBendtrans-140.7130.4159.8-61.4-74000110.3P116 R174P116-H118 CarbonylContact O-C 3.37Å; P116-H118 WeakPolarHBondContact O-CA 3.4Å; P116-H118 PolarHBondContact O-N 3.35Å; H118-R174 HydrophobicContact CB-CB 4.5Å
119V76.3Confident72.1Confident13 Ų1385.2 Ų85.28%0.07941%0.411CS..PPolyproline II helixtrans-95.9121.6169.8-1790000107.7P116 F260P116-V119 HydrophobicContact CB-CG2 4Å; P116-V119 HydrophobicContact CG-CG2 3.82Å; V119-F260 HydrophobicContact CB-CB 4.14Å; V119-F260 HydrophobicContact CB-CD2 4.14Å; V119-F260 HydrophobicContact CG1-CB 4.49Å; V119-F260 HydrophobicContact CG1-CD2 4.41Å; V119-F260 HydrophobicContact CG2-CB 3.95Å
120T89.6Confident74Confident48 Ų4883.3 Ų83.329%0.29439%0.393SS..PPolyproline II helixtrans-81.2135.1175-56.80000108.8K123 R173T120-K123 HydrophobicContact CG2-CD 4.27Å; T120-K123 HydrophobicContact CG2-CG 4.36Å; T120-K123 PolarHBondContact O-N 3.43Å; T120-R173 CarbonylContact C-O 3.56Å; T120-R173 VanDerWaalsContact CA-O 3.27Å; T120-R173 WeakPolarHBondContact CA-O 3.43Å
121C94.9Very high75.8Confident3 Ų375.7 Ų75.72%0.0236%0.359CS..THydrogen-bonded Turntrans-52.2149.6174.167.10000110.9K123 R173 S266 C268C121-K123 PolarHBondContact O-N 3.08Å; C121-R173 PolarHBondContact N-O 2.81Å; C121-S266 CarbonylContact C-O 3.58Å; C121-S266 WeakPolarHBondContact CA-O 3.1Å; C121-C268 HydrophobicContact CB-CB 4.05Å; C121-C268 WeakPolarHBondContact CB-SG 3.29Å; C121-C268 PolarHBondContact O-SG 2.83Å; C121-C268 WeakPolarHBondContact SG-CA 3.43Å; C121-C268 WeakPolarHBondContact SG-CB 3.5Å; C121-C268 CovalentContact SG-SG 2.05Å; C121-C268 PolarHBondContact SG-SG 2.86Å
122G95.5Very high77.4Confident0 Ų077.5 Ų77.50%037%0.367CS..THydrogen-bonded Turntrans65.710.1174.100000114.9P124 S266 S355 W356G122-P124 WeakPolarHBondContact O-CD 3.13Å; G122-S266 PolarHBondContact N-O 3.03Å; G122-S355 WeakPolarHBondContact O-CA 3.42Å; G122-W356 WeakPolarHBondContact CA-O 3.16Å; G122-W356 PolarHBondContact O-N 2.97Å
123K93.3Very high79.1Confident89 Ų8978.1 Ų78.139%0.38736%0.361SS..  trans-115.690.1178.8-61.9-156.9175.4-158.20110.8T120 C121 D353 D354 S355T120-K123 HydrophobicContact CG2-CD 4.27Å; T120-K123 HydrophobicContact CG2-CG 4.36Å; T120-K123 PolarHBondContact O-N 3.43Å; C121-K123 PolarHBondContact O-N 3.08Å; K123-D353 WeakPolarHBondContact CE-O 3.19Å; K123-D353 PolarHBondContact NZ-O 2.89Å; K123-D354 WeakPolarHBondContact CE-O 3.35Å; K123-S355 WeakPolarHBondContact CE-OG 3.28Å
124P92.9Very high79.9Confident9 Ų973.8 Ų73.86%0.05834%0.342CS..  trans-75.6144.9-178.233.8-36.3000111.3G122 F126 P128 P151 W152G122-P124 WeakPolarHBondContact O-CD 3.13Å; P124-F126 WeakPolarHBondContact CB-O 2.76Å; P124-P128 HydrophobicContact CG-CG 4.28Å; P124-P151 HydrophobicContact CB-CG 3.7Å; P124-W152 HydrophobicContact CB-CH2 4.41Å; P124-W152 HydrophobicContact CB-CZ3 4.16Å; P124-W152 HydrophobicContact CG-CH2 4.11Å; P124-W152 HydrophobicContact CG-CZ3 4.19Å
125Y90.8Very high80.5Confident150 Ų15067.9 Ų67.959%0.58833%0.326SS*.SBendtrans-68.8-50.5174.9-178.4-91.6000110.8N262Y125-N262 HydrophobicContact CD1-CB 4.08Å; Y125-N262 HydrophobicContact CG-CB 3.93Å
126F91.4Very high80.4Confident56 Ų5668.3 Ų68.325%0.24634%0.336CS..SBendtrans-83.1128.6171.2-53.2-79.2000109.5P124 S149 N262 Y263P124-F126 WeakPolarHBondContact CB-O 2.76Å; F126-S149 VanDerWaalsContact O-CA 3.32Å; F126-S149 WeakPolarHBondContact O-CA 3.27Å; F126-S149 WeakPolarHBondContact O-CB 2.96Å; F126-N262 HydrophobicContact CE2-CB 4.17Å; F126-Y263 AromaticContact CE2-CD1 3.93Å; F126-Y263 HydrophobicContact CE2-CD1 3.93Å; F126-Y263 AromaticContact CE2-CE1 3.68Å; F126-Y263 HydrophobicContact CE2-CE1 3.68Å; F126-Y263 AromaticContact CZ-CE1 3.93Å; F126-Y263 HydrophobicContact CZ-CE1 3.93Å
127R90.3Very high79.7Confident155 Ų15571.6 Ų71.659%0.58535%0.345SS*.PPolyproline II helixtrans-79.3132.2-175-65.9-65.6-174.8159.60.8111.6N146 S149R127-N146 PolarHBondContact O-ND2 3.17Å; R127-S149 WeakPolarHBondContact O-CB 3.16Å
128P91.5Very high78.6Confident15 Ų1574.1 Ų74.110%0.09735%0.348CS..PPolyproline II helixtrans-58.4151.4167.6-22.432.7000110.6P124 L150 L283 W356P124-P128 HydrophobicContact CG-CG 4.28Å; P128-L150 HydrophobicContact CB-CD2 4.18Å; P128-L150 HydrophobicContact CG-CD2 3.92Å; P128-L283 HydrophobicContact CB-CD2 4.11Å; P128-W356 HydrophobicContact CB-CZ2 4.18Å; P128-W356 HydrophobicContact CG-CZ2 3.91Å
129K88.2Confident77.3Confident39 Ų3972.5 Ų72.517%0.1734%0.343CS..PPolyproline II helixtrans-60.8142.3172.2-64.7179.9175.4173.30110.3E133 T134 E144 N146 Q302 Y304K129-E133 VanDerWaalsContact CA-OE2 3.27Å; K129-E133 WeakPolarHBondContact CA-OE2 3.29Å; K129-E133 HydrophobicContact CB-CB 3.91Å; K129-E133 HydrophobicContact CG-CB 4.46Å; K129-T134 HydrophobicContact CB-CG2 4.05Å; K129-E144 VanDerWaalsContact CE-O 3.31Å; K129-E144 WeakPolarHBondContact CE-O 3.18Å; K129-E144 PolarHBondContact NZ-O 2.75Å; K129-N146 WeakPolarHBondContact CE-OD1 3.45Å; K129-N146 WeakPolarHBondContact CG-OD1 3.47Å; K129-Q302 PolarHBondContact O-NE2 2.89Å; K129-Y304 VanDerWaalsContact O-CE2 3.27Å; K129-Y304 WeakPolarHBondContact O-CE2 3.32Å; K129-Y304 PolarHBondContact O-OH 3.42Å
130S86.1Confident76.1Confident39 Ų3976.6 Ų76.627%0.27337%0.368SS..PPolyproline II helixtrans-68.1167.3174.592.30000111.5E132 E133 T134S130-E132 VanDerWaalsContact CB-OE2 3.3Å; S130-E132 WeakPolarHBondContact CB-OE2 3.13Å; S130-E132 PolarHBondContact O-N 3.28Å; S130-E132 PolarHBondContact OG-N 3.39Å; S130-E132 PolarHBondContact OG-OE2 2.77Å; S130-E133 PolarHBondContact N-OE2 2.77Å; S130-E133 PolarHBondContact O-N 3.03Å; S130-E133 PolarHBondContact OG-N 2.84Å; S130-T134 WeakPolarHBondContact O-CG2 3.37Å; S130-T134 PolarHBondContact O-N 3.13Å; S130-T134 PolarHBondContact O-OG1 3.35Å
131V82.6Confident74.8Confident25 Ų2579 Ų7915%0.15237%0.372CS..Hα-helixtrans-59.3-39.9175.8-179.10000110.6T134 N135 Y304V131-T134 PolarHBondContact O-N 2.91Å; V131-T134 PolarHBondContact O-OG1 2.89Å; V131-N135 PolarHBondContact O-N 3.34Å; V131-N135 VanDerWaalsContact O-N 3.09Å; V131-N135 PolarHBondContact O-ND2 2.99Å; V131-Y304 HydrophobicContact CB-CD2 4.38Å; V131-Y304 HydrophobicContact CG2-CD1 3.8Å; V131-Y304 HydrophobicContact CG2-CD2 3.9Å; V131-Y304 HydrophobicContact CG2-CE1 3.99Å; V131-Y304 HydrophobicContact CG2-CE2 4.08Å; V131-Y304 HydrophobicContact CG2-CG 3.75Å
132E80.1Confident73.8Confident131 Ų13179.3 Ų79.361%0.61238%0.375SS*.Hα-helixtrans-64.8-46178.4-57.866.5-139.700111.2S130 T134 N135 A136S130-E132 VanDerWaalsContact CB-OE2 3.3Å; S130-E132 WeakPolarHBondContact CB-OE2 3.13Å; S130-E132 PolarHBondContact O-N 3.28Å; S130-E132 PolarHBondContact OG-N 3.39Å; S130-E132 PolarHBondContact OG-OE2 2.77Å; E132-T134 VanDerWaalsContact C-N 3.28Å; E132-T134 PolarHBondContact O-N 2.83Å; E132-N135 PolarHBondContact O-N 3.17Å; E132-N135 VanDerWaalsContact O-N 3.14Å; E132-A136 PolarHBondContact O-N 2.9Å
133E77.7Confident73.2Confident96 Ų9679.6 Ų79.645%0.44938%0.377SS..Hα-helixtrans-62.3-35176.5-69.6-179.5107.100112.3K129 S130K129-E133 VanDerWaalsContact CA-OE2 3.27Å; K129-E133 WeakPolarHBondContact CA-OE2 3.29Å; K129-E133 HydrophobicContact CB-CB 3.91Å; K129-E133 HydrophobicContact CG-CB 4.46Å; S130-E133 PolarHBondContact N-OE2 2.77Å; S130-E133 PolarHBondContact O-N 3.03Å; S130-E133 PolarHBondContact OG-N 2.84Å
134T72.2Confident73Confident14 Ų1478.4 Ų78.49%0.08637%0.373CS..Hα-helixtrans-72.8-28.8175.561.30000113.5K129 S130 V131 E132 S143 Q302 Y304K129-T134 HydrophobicContact CB-CG2 4.05Å; S130-T134 WeakPolarHBondContact O-CG2 3.37Å; S130-T134 PolarHBondContact O-N 3.13Å; S130-T134 PolarHBondContact O-OG1 3.35Å; V131-T134 PolarHBondContact O-N 2.91Å; V131-T134 PolarHBondContact O-OG1 2.89Å; E132-T134 VanDerWaalsContact C-N 3.28Å; E132-T134 PolarHBondContact O-N 2.83Å; T134-S143 WeakPolarHBondContact CG2-OG 3.34Å; T134-Q302 HydrophobicContact CG2-CG 4.4Å; T134-Y304 HydrophobicContact CG2-CD2 3.91Å; T134-Y304 HydrophobicContact CG2-CE2 3.88Å
135N63.4Low72.9Confident88 Ų8878 Ų7847%0.47137%0.371SS..Hα-helixtrans-88.3-22.2-179-74.1-31.3000113.7V131 E132 F137V131-N135 PolarHBondContact O-N 3.34Å; V131-N135 VanDerWaalsContact O-N 3.09Å; V131-N135 PolarHBondContact O-ND2 2.99Å; E132-N135 PolarHBondContact O-N 3.17Å; E132-N135 VanDerWaalsContact O-N 3.14Å; N135-F137 CarbonylContact O-C 3.58Å; N135-F137 PolarHBondContact O-N 2.97Å; N135-F137 VanDerWaalsContact O-N 3.09Å
136A50.8Low72.9Confident78 Ų7873.4 Ų73.465%0.64536%0.356SS*.SBendtrans-58.9-22.5-178.500000113.3E132E132-A136 PolarHBondContact O-N 2.9Å
137F41.5Very low72.9Confident126 Ų12673.8 Ų73.855%0.55336%0.364SS*.SBendtrans-105.6116.7168.5-52.9-82.3000106.9N135 I139N135-F137 CarbonylContact O-C 3.58Å; N135-F137 PolarHBondContact O-N 2.97Å; N135-F137 VanDerWaalsContact O-N 3.09Å; F137-I139 HydrophobicContact CB-CD1 3.83Å; F137-I139 HydrophobicContact CB-CG1 3.78Å; F137-I139 PolarHBondContact O-N 2.91Å
138R37Very low73.1Confident252 Ų25268 Ų6895%0.95134%0.343SS*.  trans-62.444.6173.7-75.1179.6169.4161.2-3.5112.8V140R138-V140 PolarHBondContact O-N 3.21Å
139I37.5Very low73.2Confident96 Ų9667.3 Ų67.349%0.49234%0.338SS..  trans-89.396-178.7-56.6-178.3000106.8F137 R141 G142F137-I139 HydrophobicContact CB-CD1 3.83Å; F137-I139 HydrophobicContact CB-CG1 3.78Å; F137-I139 PolarHBondContact O-N 2.91Å; I139-R141 PolarHBondContact O-N 3.46Å; I139-G142 WeakPolarHBondContact CG2-O 3.44Å; I139-G142 PolarHBondContact O-N 2.89Å
140V50Low73.6Confident99 Ų9965.8 Ų65.860%0.633%0.332SS*.THydrogen-bonded Turntrans-45119.4158.8-177.70000107R138 G335R138-V140 PolarHBondContact O-N 3.21Å; V140-G335 WeakPolarHBondContact CG1-O 3.32Å
141R63.6Low74.2Confident100 Ų10064 Ų6438%0.37732%0.32SS..THydrogen-bonded Turntrans88.224.5178.8-50.5164.9-177.6155.5-5.5119.3I139 T290 S291 G335I139-R141 PolarHBondContact O-N 3.46Å; R141-T290 WeakPolarHBondContact CD-O 3.39Å; R141-T290 PolarHBondContact NH1-O 3.06Å; R141-S291 VanDerWaalsContact CZ-CA 3.48Å; R141-S291 VanDerWaalsContact NH1-CA 3.3Å; R141-G335 PolarHBondContact N-O 2.78Å; R141-G335 VanDerWaalsContact N-O 3.07Å
142G72.8Confident74.9Confident8 Ų862.9 Ų62.98%0.08231%0.312CS..  trans95.7171.9165.200000115.2I139I139-G142 WeakPolarHBondContact CG2-O 3.44Å; I139-G142 PolarHBondContact O-N 2.89Å
143S83.5Confident75.7Confident6 Ų656.9 Ų56.94%0.04228%0.284CS..EExtended strand (participates in β ladder)trans-117.2154-173.1700000111.6T134 A145 K301 Q302T134-S143 WeakPolarHBondContact CG2-OG 3.34Å; S143-A145 PolarHBondContact O-N 3.28Å; S143-K301 CarbonylContact O-C 3.53Å; S143-K301 VanDerWaalsContact O-CA 3.32Å; S143-K301 WeakPolarHBondContact O-CA 3.21Å; S143-Q302 PolarHBondContact N-O 3.09Å; S143-Q302 PolarHBondContact O-N 2.66Å
144E88.6Confident76.7Confident64 Ų6452.3 Ų52.330%0.29926%0.263SS..EExtended strand (participates in β ladder)trans-61.3130.5170.3-172.4179148.900109K129 H215 R299K129-E144 VanDerWaalsContact CE-O 3.31Å; K129-E144 WeakPolarHBondContact CE-O 3.18Å; K129-E144 PolarHBondContact NZ-O 2.75Å; E144-H215 IonicContact OE1-CD2 3.43Å; E144-H215 IonicContact OE1-CE1 3.29Å; E144-H215 IonicContact OE1-NE2 3.44Å; E144-H215 PolarHBondContact OE1-NE2 3.14Å; E144-R299 VanDerWaalsContact CD-CD 3.43Å; E144-R299 HydrophobicContact CG-CB 4.2Å; E144-R299 WeakPolarHBondContact OE1-CD 3.3Å; E144-R299 IonicContact OE1-CZ 2.81Å; E144-R299 IonicContact OE1-NE 3.28Å; E144-R299 IonicContact OE1-NH1 2.63Å; E144-R299 PolarHBondContact OE1-NH1 3.27Å; E144-R299 WeakPolarHBondContact OE2-CD 2.93Å; E144-R299 IonicContact OE2-NH1 2.83Å; E144-R299 PolarHBondContact OE2-NH1 3.09Å
145A91.9Very high77.9Confident2 Ų251.6 Ų51.62%0.01726%0.259CS..PPolyproline II helixtrans-65158176.400000110.9S143 L150 H215 L300 Q302S143-A145 PolarHBondContact O-N 3.28Å; A145-L150 HydrophobicContact CB-CD1 4.07Å; A145-H215 PolarHBondContact O-CE1 3.16Å; A145-L300 HydrophobicContact CB-CB 4.45Å; A145-L300 HydrophobicContact CB-CD2 4.41Å; A145-L300 HydrophobicContact CB-CG 4.24Å; A145-L300 PolarHBondContact N-O 2.9Å; A145-Q302 HydrophobicContact CB-CB 4.3Å; A145-Q302 HydrophobicContact CB-CG 4.12Å
146N91.3Very high79.5Confident53 Ų5347.5 Ų47.528%0.28324%0.237SC..PPolyproline II helixtrans-63.8134.1164.9-73.4-21.1000107.8R127 K129 Y148 S149R127-N146 PolarHBondContact O-ND2 3.17Å; K129-N146 WeakPolarHBondContact CE-OD1 3.45Å; K129-N146 WeakPolarHBondContact CG-OD1 3.47Å; N146-Y148 PolarHBondContact O-N 3.07Å; N146-Y148 VanDerWaalsContact O-N 3.16Å; N146-S149 WeakPolarHBondContact O-CB 3.46Å; N146-S149 PolarHBondContact O-N 3.34Å; N146-S149 PolarHBondContact O-OG 2.81Å
147P90.2Very high81.6Confident64 Ų6444 Ų4442%0.41621%0.207SC..THydrogen-bonded Turntrans-50.6127.7179.6-29.735.7000111.6S149 H215P147-S149 PolarHBondContact O-N 2.93Å; P147-S149 VanDerWaalsContact O-N 3.16Å; P147-H215 HydrophobicContact CB-CB 4.23Å
148Y94.1Very high84Confident33 Ų3341.3 Ų41.313%0.12919%0.193CC..THydrogen-bonded Turntrans64.711.3177.3-38.6-64.2000116.1N146 L150 H215 D220 K223 H225 Y263N146-Y148 PolarHBondContact O-N 3.07Å; N146-Y148 VanDerWaalsContact O-N 3.16Å; Y148-L150 PolarHBondContact O-N 3.28Å; Y148-H215 HydrophobicContact CD1-CB 4.3Å; Y148-H215 HydrophobicContact CE1-CB 4.05Å; Y148-D220 WeakPolarHBondContact CE1-OD2 3.22Å; Y148-D220 VanDerWaalsContact OH-CG 3.26Å; Y148-D220 PolarHBondContact OH-OD1 2.88Å; Y148-D220 PolarHBondContact OH-OD2 3.37Å; Y148-K223 PolarHBondContact OH-NZ 2.79Å; Y148-H225 AromaticContact CE1-CE1 3.4Å; Y148-H225 WeakPolarHBondContact CE1-CE1 3.35Å; Y148-H225 AromaticContact CE1-NE2 3.96Å; Y148-H225 AromaticContact CZ-CE1 3.69Å; Y148-H225 AromaticContact CZ-NE2 3.77Å; Y148-Y263 AromaticContact CD1-CD1 3.76Å; Y148-Y263 HydrophobicContact CD1-CD1 3.76Å; Y148-Y263 HydrophobicContact CD1-CE1 4.26Å; Y148-Y263 AromaticContact CD2-CD1 3.78Å; Y148-Y263 HydrophobicContact CD2-CD1 3.78Å; Y148-Y263 AromaticContact CD2-CE1 3.49Å; Y148-Y263 HydrophobicContact CD2-CE1 3.49Å; Y148-Y263 VanDerWaalsContact CD2-CE1 3.49Å; Y148-Y263 HydrophobicContact CE1-CD1 4.39Å; Y148-Y263 HydrophobicContact CE2-CD1 4.37Å; Y148-Y263 AromaticContact CE2-CE1 3.9Å; Y148-Y263 HydrophobicContact CE2-CE1 3.9Å; Y148-Y263 AromaticContact CG-CD1 3.42Å; Y148-Y263 HydrophobicContact CG-CD1 3.42Å; Y148-Y263 VanDerWaalsContact CG-CD1 3.42Å; Y148-Y263 AromaticContact CG-CE1 3.68Å; Y148-Y263 HydrophobicContact CG-CE1 3.68Å
149S95Very high86.4Confident1 Ų134.1 Ų34.11%0.00717%0.171CC..  trans-72.4-9.7179.269.30000115.1F126 R127 N146 P147 P151F126-S149 VanDerWaalsContact O-CA 3.32Å; F126-S149 WeakPolarHBondContact O-CA 3.27Å; F126-S149 WeakPolarHBondContact O-CB 2.96Å; R127-S149 WeakPolarHBondContact O-CB 3.16Å; N146-S149 WeakPolarHBondContact O-CB 3.46Å; N146-S149 PolarHBondContact O-N 3.34Å; N146-S149 PolarHBondContact O-OG 2.81Å; P147-S149 PolarHBondContact O-N 2.93Å; P147-S149 VanDerWaalsContact O-N 3.16Å; S149-P151 VanDerWaalsContact O-CD 3.25Å; S149-P151 WeakPolarHBondContact O-CD 3.42Å
150L96.8Very high88.7Confident7 Ų734.4 Ų34.44%0.03717%0.173CC..  trans-119.967.8-177.3-56.6176.6000109.8P128 A145 Y148 W152 M153 L283 L300 Q302P128-L150 HydrophobicContact CB-CD2 4.18Å; P128-L150 HydrophobicContact CG-CD2 3.92Å; A145-L150 HydrophobicContact CB-CD1 4.07Å; Y148-L150 PolarHBondContact O-N 3.28Å; L150-W152 HydrophobicContact CD2-CZ2 3.87Å; L150-W152 PolarHBondContact O-N 2.84Å; L150-W152 VanDerWaalsContact O-N 3.14Å; L150-M153 HydrophobicContact CB-CB 4.15Å; L150-M153 WeakPolarHBondContact O-CB 3.32Å; L150-M153 PolarHBondContact O-N 2.99Å; L150-L283 HydrophobicContact CD2-CD2 3.57Å; L150-L300 HydrophobicContact CB-CD2 4.02Å; L150-L300 HydrophobicContact CD1-CD2 3.76Å; L150-L300 HydrophobicContact CD1-CG 4.31Å; L150-L300 HydrophobicContact CG-CD2 4.34Å; L150-Q302 HydrophobicContact CD1-CB 4.28Å
151P96.9Very high90.5Very high2 Ų236.8 Ų36.81%0.01318%0.178CC..THydrogen-bonded Turntrans-69.8-13.5-166.730.9-39.8000114.4P124 S149 Y263 V264 S265P124-P151 HydrophobicContact CB-CG 3.7Å; S149-P151 VanDerWaalsContact O-CD 3.25Å; S149-P151 WeakPolarHBondContact O-CD 3.42Å; P151-Y263 WeakPolarHBondContact CA-O 3.32Å; P151-V264 WeakPolarHBondContact O-CA 3.01Å; P151-S265 CarbonylContact C-O 3.56Å; P151-S265 WeakPolarHBondContact CB-OG 3.31Å; P151-S265 WeakPolarHBondContact CG-OG 3.42Å; P151-S265 PolarHBondContact O-N 3.37Å; P151-S265 VanDerWaalsContact O-O 3.12Å
152W97.9Very high91.9Very high0 Ų034.4 Ų34.40%017%0.171CC..THydrogen-bonded Turntrans-85.5-15.2172.651.475.5000113.9P124 L150 T167 I168 S265 A267 V348 W356P124-W152 HydrophobicContact CB-CH2 4.41Å; P124-W152 HydrophobicContact CB-CZ3 4.16Å; P124-W152 HydrophobicContact CG-CH2 4.11Å; P124-W152 HydrophobicContact CG-CZ3 4.19Å; L150-W152 HydrophobicContact CD2-CZ2 3.87Å; L150-W152 PolarHBondContact O-N 2.84Å; L150-W152 VanDerWaalsContact O-N 3.14Å; W152-T167 HydrophobicContact CB-CG2 3.93Å; W152-T167 HydrophobicContact CG-CG2 4.16Å; W152-T167 CarbonylContact O-C 3.53Å; W152-T167 WeakPolarHBondContact O-CA 3.21Å; W152-I168 PolarHBondContact O-N 2.89Å; W152-S265 WeakPolarHBondContact CA-O 3.42Å; W152-S265 PolarHBondContact N-O 3Å; W152-A267 HydrophobicContact CB-CB 4.02Å; W152-A267 HydrophobicContact CD2-CB 4.06Å; W152-A267 HydrophobicContact CE3-CB 4.4Å; W152-A267 HydrophobicContact CG-CB 3.86Å; W152-V348 HydrophobicContact CZ2-CG2 4.08Å; W152-W356 HydrophobicContact CH2-CB 3.56Å; W152-W356 AromaticContact CH2-CD1 3.45Å; W152-W356 VanDerWaalsContact CH2-CD1 3.45Å; W152-W356 HydrophobicContact CH2-CD2 4.11Å; W152-W356 AromaticContact CH2-CG 3.4Å; W152-W356 HydrophobicContact CH2-CG 3.4Å; W152-W356 VanDerWaalsContact CH2-CG 3.4Å; W152-W356 HydrophobicContact CZ2-CB 3.98Å; W152-W356 HydrophobicContact CZ2-CD2 4.31Å; W152-W356 AromaticContact CZ2-CG 3.94Å; W152-W356 HydrophobicContact CZ2-CG 3.94Å; W152-W356 HydrophobicContact CZ3-CB 4.01Å; W152-W356 HydrophobicContact CZ3-CG 4.19Å
153M97.8Very high92.7Very high5 Ų537.5 Ų37.53%0.02518%0.18CC..EExtended strand (participates in β ladder)trans-67.9133.6-178.5-174.363.4-165.600110.2L150 W287 L300 P346L150-M153 HydrophobicContact CB-CB 4.15Å; L150-M153 WeakPolarHBondContact O-CB 3.32Å; L150-M153 PolarHBondContact O-N 2.99Å; M153-W287 HydrophobicContact CE-CE3 3.75Å; M153-W287 HydrophobicContact CE-CH2 4.35Å; M153-W287 HydrophobicContact CE-CZ3 3.42Å; M153-W287 VanDerWaalsContact CE-CZ3 3.42Å; M153-W287 HydrophobicContact CG-CH2 3.61Å; M153-W287 HydrophobicContact CG-CZ3 3.64Å; M153-W287 HydrophobicContact SD-CZ3 4.39Å; M153-L300 HydrophobicContact CB-CD2 4.38Å; M153-L300 HydrophobicContact CG-CD1 3.95Å; M153-L300 HydrophobicContact CG-CD2 4.18Å; M153-P346 WeakPolarHBondContact SD-CD 3.3Å; M153-P346 HydrophobicContact SD-CG 3.73Å
154V98.2Very high93.3Very high0 Ų037.4 Ų37.40%018%0.179CC..EExtended strand (participates in β ladder)trans-131.7149.6172.6-57.70000112.3G165 G166 I168 V181 V210 V211 A212V154-G165 CarbonylContact O-C 3.1Å; V154-G165 WeakPolarHBondContact O-CA 3.38Å; V154-G166 VanDerWaalsContact CG2-C 3.43Å; V154-G166 WeakPolarHBondContact CG2-O 3.01Å; V154-G166 PolarHBondContact N-O 2.85Å; V154-G166 PolarHBondContact O-N 2.75Å; V154-I168 HydrophobicContact CG1-CD1 3.72Å; V154-I168 HydrophobicContact CG1-CG1 3.54Å; V154-V181 HydrophobicContact CG2-CG1 3.55Å; V154-V181 HydrophobicContact CG2-CG2 4.19Å; V154-V210 HydrophobicContact CB-CG1 3.58Å; V154-V210 HydrophobicContact CG1-CG1 4.07Å; V154-V210 HydrophobicContact CG2-CG1 3.54Å; V154-V211 CarbonylContact C-O 3.49Å; V154-V211 WeakPolarHBondContact CA-O 3.42Å; V154-V211 VanDerWaalsContact CB-O 3.28Å; V154-V211 WeakPolarHBondContact CB-O 3.21Å; V154-A212 HydrophobicContact CG1-CB 3.67Å
155S97.6Very high93.7Very high0 Ų034.4 Ų34.40%017%0.165CC..EExtended strand (participates in β ladder)trans-92.9115.9166.8169.10000108.9Q157 H162 V210 V211S155-Q157 WeakPolarHBondContact OG-CG 3.48Å; S155-Q157 PolarHBondContact OG-NE2 3.1Å; S155-H162 PolarHBondContact OG-ND1 3.34Å; S155-V210 WeakPolarHBondContact O-CA 3.34Å; S155-V211 PolarHBondContact N-O 3.17Å; S155-V211 PolarHBondContact O-N 2.82Å
156V97.4Very high94Very high2 Ų234.3 Ų34.31%0.01216%0.164CC..EExtended strand (participates in β ladder)trans-82.6115.3166.4-1770000107.4R163 C164 I208 I252V156-R163 PolarHBondContact O-N 2.61Å; V156-C164 HydrophobicContact CB-CB 4.15Å; V156-C164 PolarHBondContact N-O 2.88Å; V156-C164 PolarHBondContact O-N 3.38Å; V156-C164 VanDerWaalsContact O-N 3.16Å; V156-I208 HydrophobicContact CG1-CG2 3.69Å; V156-I252 HydrophobicContact CG1-CD1 4.16Å; V156-I252 HydrophobicContact CG2-CD1 3.95Å
157Q94.7Very high94.3Very high3 Ų331.8 Ų31.81%0.01415%0.151CC..EExtended strand (participates in β ladder)trans-114.7139.4-172-61.6-172-13.200111.4S155 N160 E161 I208 R209 V211S155-Q157 WeakPolarHBondContact OG-CG 3.48Å; S155-Q157 PolarHBondContact OG-NE2 3.1Å; Q157-N160 PolarHBondContact OE1-O 2.03Å; Q157-E161 CarbonylContact C-O 3.5Å; Q157-E161 WeakPolarHBondContact CA-O 3.47Å; Q157-E161 VanDerWaalsContact CB-O 3.22Å; Q157-E161 WeakPolarHBondContact CB-O 3.4Å; Q157-I208 VanDerWaalsContact O-CA 3.3Å; Q157-I208 WeakPolarHBondContact O-CA 3.32Å; Q157-R209 HydrophobicContact CB-CG 3.84Å; Q157-R209 PolarHBondContact N-O 2.79Å; Q157-R209 PolarHBondContact O-N 2.94Å; Q157-V211 HydrophobicContact CG-CG2 4.26Å
158R91.9Very high94.7Very high70 Ų7028.7 Ų28.726%0.26413%0.131SC..EExtended strand (participates in β ladder)trans-106.5127.6167.5175-172.3163.6175.1-0.7107.4N160 E161 I208R158-N160 PolarHBondContact O-N 3.29Å; R158-E161 PolarHBondContact N-O 2.79Å; R158-E161 PolarHBondContact O-N 2.76Å; R158-I208 HydrophobicContact CB-CD1 3.94Å; R158-I208 HydrophobicContact CG-CD1 4.43Å
159E86.3Confident94.9Very high102 Ų10227.3 Ų27.348%0.47713%0.126SC..THydrogen-bonded Turntrans53.135.5174.8-69.2162.5160.400112.9E161 K207E159-E161 VanDerWaalsContact C-N 3.3Å; E159-E161 PolarHBondContact O-N 3.3Å; E159-K207 PolarHBondContact N-O 3.26Å; E159-K207 IonicContact OE1-NZ 2.61Å; E159-K207 PolarHBondContact OE1-NZ 2.83Å
160N86.7Confident94.8Very high102 Ų10227.7 Ų27.755%0.54513%0.129SC..THydrogen-bonded Turntrans74.30.6-176.9-49.8-49.6000116.9Q157 R158 R209Q157-N160 PolarHBondContact OE1-O 2.03Å; R158-N160 PolarHBondContact O-N 3.29Å; N160-R209 WeakPolarHBondContact OD1-CD 3.35Å; N160-R209 PolarHBondContact OD1-NE 3.14Å; N160-R209 VanDerWaalsContact OD1-NE 3.11Å; N160-R209 PolarHBondContact OD1-NH1 3.28Å
161E88.6Confident94.1Very high149 Ų14930.3 Ų30.370%0.69614%0.142SC*.EExtended strand (participates in β ladder)trans-98.7141.9176.8-64.2-176.3169.900111.4Q157 R158 E159 R163Q157-E161 CarbonylContact C-O 3.5Å; Q157-E161 WeakPolarHBondContact CA-O 3.47Å; Q157-E161 VanDerWaalsContact CB-O 3.22Å; Q157-E161 WeakPolarHBondContact CB-O 3.4Å; R158-E161 PolarHBondContact N-O 2.79Å; R158-E161 PolarHBondContact O-N 2.76Å; E159-E161 VanDerWaalsContact C-N 3.3Å; E159-E161 PolarHBondContact O-N 3.3Å; E161-R163 PolarHBondContact O-N 3.04Å
162H91.2Very high93.7Very high50 Ų5036 Ų3623%0.23117%0.173CC..EExtended strand (participates in β ladder)trans-63.1128.3175.3178.673.5000110.9S155 C164 L217 W287 G341S155-H162 PolarHBondContact OG-ND1 3.34Å; H162-C164 VanDerWaalsContact CE1-C 3.45Å; H162-C164 PolarHBondContact CE1-O 3.01Å; H162-L217 HydrophobicContact CB-CD1 3.67Å; H162-W287 AromaticContact CE1-CE3 3.82Å; H162-G341 PolarHBondContact NE2-O 3.17Å
163R91.1Very high93.1Very high73 Ų7341.2 Ų41.228%0.27519%0.193SC..EExtended strand (participates in β ladder)trans-119-45.6178.2-177.7177.9-174.877.93.8112V156 E161 C187 F189V156-R163 PolarHBondContact O-N 2.61Å; E161-R163 PolarHBondContact O-N 3.04Å; R163-C187 WeakPolarHBondContact CD-O 3.06Å; R163-C187 PolarHBondContact NE-O 2.76Å; R163-F189 PolarHBondContact NH2-O 3.16Å
164C95.2Very high92.5Very high4 Ų449.8 Ų49.83%0.02723%0.225CC..EExtended strand (participates in β ladder)trans-146.4161-175.3-81.30000111V156 H162 C187 S343V156-C164 HydrophobicContact CB-CB 4.15Å; V156-C164 PolarHBondContact N-O 2.88Å; V156-C164 PolarHBondContact O-N 3.38Å; V156-C164 VanDerWaalsContact O-N 3.16Å; H162-C164 VanDerWaalsContact CE1-C 3.45Å; H162-C164 PolarHBondContact CE1-O 3.01Å; C164-C187 HydrophobicContact CB-CB 3.81Å; C164-C187 WeakPolarHBondContact CB-SG 3.23Å; C164-C187 WeakPolarHBondContact SG-CB 3.46Å; C164-C187 CovalentContact SG-SG 2.03Å; C164-C187 PolarHBondContact SG-SG 3.25Å; C164-S343 CarbonylContact C-O 3.59Å; C164-S343 WeakPolarHBondContact CA-O 3.4Å; C164-S343 WeakPolarHBondContact CB-O 3.36Å; C164-S343 PolarHBondContact SG-O 3.16Å
165G96.7Very high92.1Very high0 Ų050.7 Ų50.70%023%0.232CC..EExtended strand (participates in β ladder)trans-79.3173.9161.600000112.9V154 T183 S343 G344V154-G165 CarbonylContact O-C 3.1Å; V154-G165 WeakPolarHBondContact O-CA 3.38Å; G165-T183 PolarHBondContact O-OG1 3.34Å; G165-S343 PolarHBondContact N-O 3.01Å; G165-G344 CarbonylContact C-O 3.53Å; G165-G344 CarbonylContact O-C 3.47Å; G165-G344 VanDerWaalsContact O-C 3.31Å
166G98.2Very high91.8Very high0 Ų054.7 Ų54.70%025%0.254CS..EExtended strand (participates in β ladder)trans-165.3171.3170.900000110.1V154 L182 G344V154-G166 VanDerWaalsContact CG2-C 3.43Å; V154-G166 WeakPolarHBondContact CG2-O 3.01Å; V154-G166 PolarHBondContact N-O 2.85Å; V154-G166 PolarHBondContact O-N 2.75Å; G166-L182 CarbonylContact C-O 3.53Å; G166-L182 WeakPolarHBondContact CA-O 3.04Å; G166-G344 WeakPolarHBondContact CA-O 3.39Å
167T98.7Very high91.7Very high0 Ų058.5 Ų58.50%027%0.271CS..EExtended strand (participates in β ladder)trans-127.9125.3178.9-48.70000110.6W152 I169 V181 L182 A267 P346 L358W152-T167 HydrophobicContact CB-CG2 3.93Å; W152-T167 HydrophobicContact CG-CG2 4.16Å; W152-T167 CarbonylContact O-C 3.53Å; W152-T167 WeakPolarHBondContact O-CA 3.21Å; T167-I169 HydrophobicContact CG2-CG2 4.47Å; T167-I169 PolarHBondContact O-N 2.91Å; T167-V181 CarbonylContact O-C 3.52Å; T167-V181 VanDerWaalsContact O-CA 3.24Å; T167-V181 WeakPolarHBondContact O-CA 2.99Å; T167-L182 PolarHBondContact N-O 3.11Å; T167-L182 PolarHBondContact O-N 2.98Å; T167-A267 HydrophobicContact CG2-CB 3.66Å; T167-P346 WeakPolarHBondContact OG1-CB 3.38Å; T167-L358 HydrophobicContact CG2-CD1 4.07Å; T167-L358 HydrophobicContact CG2-CD2 3.82Å; T167-L358 HydrophobicContact CG2-CG 4.37Å
168I98.5Very high91.7Very high0 Ų058.6 Ų58.60%027%0.272CS..EExtended strand (participates in β ladder)trans-66.2125.7167.5-61.9167.3000108.2W152 V154 V181 A212 F258 F260 V264 S266 A267W152-I168 PolarHBondContact O-N 2.89Å; V154-I168 HydrophobicContact CG1-CD1 3.72Å; V154-I168 HydrophobicContact CG1-CG1 3.54Å; I168-V181 HydrophobicContact CG1-CG2 4Å; I168-A212 HydrophobicContact CD1-CB 3.85Å; I168-F258 HydrophobicContact CD1-CB 4.16Å; I168-F258 HydrophobicContact CD1-CD1 4.14Å; I168-F258 HydrophobicContact CD1-CD2 4.13Å; I168-F258 HydrophobicContact CD1-CG 3.87Å; I168-F258 HydrophobicContact CG1-CD2 4.13Å; I168-F258 HydrophobicContact CG1-CE2 4.42Å; I168-F258 HydrophobicContact CG1-CG 4.38Å; I168-F260 HydrophobicContact CG2-CE1 3.9Å; I168-F260 HydrophobicContact CG2-CZ 4.26Å; I168-V264 HydrophobicContact CD1-CG1 3.59Å; I168-S266 VanDerWaalsContact O-CA 3.23Å; I168-S266 WeakPolarHBondContact O-CA 3.39Å; I168-S266 WeakPolarHBondContact O-CB 3.18Å; I168-A267 PolarHBondContact O-N 3.21Å
169I97.5Very high91.9Very high4 Ų457.8 Ų57.82%0.02127%0.271CS..EExtended strand (participates in β ladder)trans-117.1148177.960167.6000109.8T167 S178 Y180 L182 L269 L358 I387T167-I169 HydrophobicContact CG2-CG2 4.47Å; T167-I169 PolarHBondContact O-N 2.91Å; I169-S178 WeakPolarHBondContact O-CB 3.25Å; I169-S178 PolarHBondContact O-OG 3.31Å; I169-Y180 PolarHBondContact N-O 2.95Å; I169-L182 HydrophobicContact CD1-CB 4.27Å; I169-L182 HydrophobicContact CD1-CD1 4.44Å; I169-L182 HydrophobicContact CG2-CB 4Å; I169-L269 HydrophobicContact CB-CD1 4.5Å; I169-L269 HydrophobicContact CB-CD2 4.13Å; I169-L269 HydrophobicContact CB-CG 4.36Å; I169-L269 HydrophobicContact CD1-CD1 4.47Å; I169-L269 HydrophobicContact CD1-CD2 4.42Å; I169-L269 HydrophobicContact CG2-CD2 3.8Å; I169-L269 HydrophobicContact CG2-CG 4.47Å; I169-L358 HydrophobicContact CG2-CD2 3.96Å; I169-I387 HydrophobicContact CD1-CG2 4Å
170A92.7Very high92.5Very high8 Ų854.7 Ų54.77%0.06626%0.256CS..  trans-129.2138.4171.400000109.5A175 F260 S266A170-A175 HydrophobicContact CB-CB 4.01Å; A170-F260 HydrophobicContact CB-CE2 4.34Å; A170-F260 HydrophobicContact CB-CZ 4.21Å; A170-S266 VanDerWaalsContact CB-OG 3.27Å; A170-S266 WeakPolarHBondContact CB-OG 3.48Å
171L82.7Confident93.1Very high62 Ų6249.9 Ų49.933%0.32523%0.23SC..SBendtrans-79.7-29.9-179.7-62.7160.6000111.8L269 K391L171-L269 HydrophobicContact CD2-CD1 4.26Å; L171-K391 HydrophobicContact CD1-CD 3.5Å; L171-K391 HydrophobicContact CD1-CG 3.57Å; L171-K391 VanDerWaalsContact CD2-CE 3.47Å
172N87.8Confident93.5Very high122 Ų12242.8 Ų42.865%0.65220%0.197SC*.SBendtrans-101.8125.8173.8-65.7-27.7000108.2R174 A175N172-R174 PolarHBondContact O-N 3.19Å; N172-A175 PolarHBondContact O-N 2.98Å; N172-A175 VanDerWaalsContact O-N 3.15Å
173R86Confident93.9Very high110 Ų11040.4 Ų40.442%0.41519%0.186SC..THydrogen-bonded Turntrans-58.1-23.1-179.1-64.1-169.969.8143.5-1.3113.8T120 C121 D353 Y357T120-R173 CarbonylContact C-O 3.56Å; T120-R173 VanDerWaalsContact CA-O 3.27Å; T120-R173 WeakPolarHBondContact CA-O 3.43Å; C121-R173 PolarHBondContact N-O 2.81Å; R173-D353 IonicContact CZ-OD2 3.59Å; R173-D353 IonicContact NH1-OD2 3.59Å; R173-D353 IonicContact NH2-OD2 2.72Å; R173-D353 PolarHBondContact NH2-OD2 3.14Å; R173-Y357 VanDerWaalsContact CZ-OH 3.26Å; R173-Y357 PolarHBondContact NH1-OH 3.15Å; R173-Y357 PolarHBondContact NH2-OH 3.04Å
174R85.8Confident94.2Very high184 Ų18436.9 Ų36.969%0.69417%0.172SC*.THydrogen-bonded Turntrans-11330.1-178.3-61.3-175-178.8174.31.4113.5H118 N172H118-R174 HydrophobicContact CB-CB 4.5Å; N172-R174 PolarHBondContact O-N 3.19Å
175A89.6Confident94.3Very high20 Ų2036.7 Ų36.717%0.16517%0.171CC..  trans-65.8152174.100000111.2A170 N172 F260A170-A175 HydrophobicContact CB-CB 4.01Å; N172-A175 PolarHBondContact O-N 2.98Å; N172-A175 VanDerWaalsContact O-N 3.15Å; A175-F260 HydrophobicContact CB-CE2 4.05Å; A175-F260 WeakPolarHBondContact O-CD2 3.47Å
176N91.4Very high94.1Very high84 Ų8438.4 Ų38.445%0.44918%0.179SC..SBendtrans-103.8-5.6170.961.8-11000112.6F260N176-F260 VanDerWaalsContact O-CB 3.3Å; N176-F260 WeakPolarHBondContact O-CB 3.34Å; N176-F260 PolarHBondContact O-N 2.75Å
177H94.1Very high94Very high81 Ų8138.5 Ų38.538%0.37518%0.18SC..EExtended strand (participates in β ladder)trans-156.1165.1177.768-90.3000111.1P257 F258H177-P257 HydrophobicContact CB-CB 4.04Å; H177-F258 CarbonylContact C-O 3.48Å; H177-F258 WeakPolarHBondContact CA-O 3.14Å; H177-F258 VanDerWaalsContact CB-O 3.32Å; H177-F258 WeakPolarHBondContact CB-O 3.5Å
178S95.6Very high93.8Very high6 Ų638.6 Ų38.64%0.04218%0.18CC..EExtended strand (participates in β ladder)trans-151.6143.7171.5-1780000113.4I169 Y180 P257 F258I169-S178 WeakPolarHBondContact O-CB 3.25Å; I169-S178 PolarHBondContact O-OG 3.31Å; S178-Y180 PolarHBondContact OG-N 3.19Å; S178-P257 CarbonylContact O-C 3.47Å; S178-P257 WeakPolarHBondContact O-CA 3.11Å; S178-F258 PolarHBondContact N-O 2.82Å; S178-F258 PolarHBondContact O-N 3.02Å
179H96.8Very high93.4Very high52 Ų5240.7 Ų40.724%0.24119%0.189CC..EExtended strand (participates in β ladder)trans-91.1-6.7170.2-75.1-95.6000113.7K253 T254 P257H179-K253 HydrophobicContact CB-CG 4.32Å; H179-K253 WeakPolarHBondContact O-CA 3.22Å; H179-T254 PolarHBondContact ND1-O 2.95Å; H179-T254 PolarHBondContact O-N 2.76Å; H179-T254 PolarHBondContact O-OG1 3.3Å; H179-P257 VanDerWaalsContact CE1-CD 3.42Å; H179-P257 WeakPolarHBondContact CE1-CD 3.44Å
180Y97.8Very high92.6Very high38 Ų3842.1 Ų42.115%0.14920%0.2CC..EExtended strand (participates in β ladder)trans-110.6129.3-161.2-55.4-82.8000111.9I169 S178 V251 I252 K253 K390 K391I169-Y180 PolarHBondContact N-O 2.95Å; S178-Y180 PolarHBondContact OG-N 3.19Å; Y180-V251 HydrophobicContact CD1-CG1 4.03Å; Y180-I252 WeakPolarHBondContact CA-O 3.06Å; Y180-K253 HydrophobicContact CE1-CD 4.04Å; Y180-K253 HydrophobicContact CE1-CG 4.11Å; Y180-K390 WeakPolarHBondContact CE1-O 3.27Å; Y180-K391 PolarHBondContact OH-OXT 2.63Å
181V98.4Very high91.4Very high0 Ų045.5 Ų45.50%022%0.22CC..EExtended strand (participates in β ladder)trans-123.8129.1171.9167.30000108.8V154 T167 I168 V210 V251 I252 F258V154-V181 HydrophobicContact CG2-CG1 3.55Å; V154-V181 HydrophobicContact CG2-CG2 4.19Å; T167-V181 CarbonylContact O-C 3.52Å; T167-V181 VanDerWaalsContact O-CA 3.24Å; T167-V181 WeakPolarHBondContact O-CA 2.99Å; I168-V181 HydrophobicContact CG1-CG2 4Å; V181-V210 HydrophobicContact CG2-CG1 4.22Å; V181-V251 WeakPolarHBondContact O-CA 3.3Å; V181-I252 HydrophobicContact CB-CB 4.15Å; V181-I252 HydrophobicContact CG1-CD1 4.33Å; V181-I252 PolarHBondContact N-O 3.17Å; V181-I252 PolarHBondContact O-N 3.14Å; V181-F258 HydrophobicContact CG2-CD2 4.37Å; V181-F258 HydrophobicContact CG2-CE2 3.71Å; V181-F258 HydrophobicContact CG2-CZ 4.49Å
182L98.4Very high90Very high0 Ų043.9 Ų43.90%021%0.213CC..EExtended strand (participates in β ladder)trans-92.5136.3171.9-156.468.1000109.5G166 T167 I169 I249 V251 L358 V361 V380 I387G166-L182 CarbonylContact C-O 3.53Å; G166-L182 WeakPolarHBondContact CA-O 3.04Å; T167-L182 PolarHBondContact N-O 3.11Å; T167-L182 PolarHBondContact O-N 2.98Å; I169-L182 HydrophobicContact CD1-CB 4.27Å; I169-L182 HydrophobicContact CD1-CD1 4.44Å; I169-L182 HydrophobicContact CG2-CB 4Å; L182-I249 HydrophobicContact CD1-CD1 3.95Å; L182-I249 HydrophobicContact CD1-CG1 3.91Å; L182-I249 HydrophobicContact CD2-CD1 4.15Å; L182-I249 HydrophobicContact CG-CD1 4.26Å; L182-I249 HydrophobicContact CG-CG1 4.22Å; L182-V251 HydrophobicContact CD1-CG2 3.62Å; L182-L358 HydrophobicContact CB-CD2 4.18Å; L182-L358 HydrophobicContact CD2-CD2 3.59Å; L182-L358 HydrophobicContact CG-CD2 4.49Å; L182-V361 HydrophobicContact CD2-CG2 4Å; L182-V361 HydrophobicContact CG-CG2 4.2Å; L182-V380 HydrophobicContact CD2-CG1 3.97Å; L182-V380 HydrophobicContact CD2-CG2 3.92Å; L182-I387 HydrophobicContact CD1-CD1 4.06Å; L182-I387 HydrophobicContact CD1-CG1 4.09Å; L182-I387 HydrophobicContact CD2-CD1 4Å
183T98.4Very high88.1Confident0 Ų046 Ų460%022%0.224CC..EExtended strand (participates in β ladder)trans-155-176179.7-172.60000109.8G165 F188 A250 I252 G344G165-T183 PolarHBondContact O-OG1 3.34Å; T183-F188 HydrophobicContact CG2-CE2 3.7Å; T183-F188 HydrophobicContact CG2-CZ 4.19Å; T183-A250 HydrophobicContact CG2-CB 4.16Å; T183-A250 PolarHBondContact N-O 3.09Å; T183-A250 PolarHBondContact O-N 3.37Å; T183-I252 HydrophobicContact CG2-CD1 4.03Å; T183-I252 HydrophobicContact CG2-CG1 4.25Å; T183-G344 WeakPolarHBondContact OG1-CA 3.42Å
184A97.7Very high86.4Confident0 Ų047.7 Ų47.70%024%0.235CC..  trans-83.2149.8177.900000111.5C187 G344 V361A184-C187 WeakPolarHBondContact O-CB 3.29Å; A184-G344 VanDerWaalsContact N-CA 3.34Å; A184-V361 HydrophobicContact CB-CG1 4.12Å
185A97.2Very high84.7Confident0 Ų045 Ų450%024%0.241CC..SBendtrans-70.3-39.4177.400000111.9C187 F188 F189 I236 F240 D248A185-C187 PolarHBondContact O-N 3.42Å; A185-C187 VanDerWaalsContact O-N 3.11Å; A185-F188 PolarHBondContact O-N 3.23Å; A185-F189 WeakPolarHBondContact O-CD2 3.41Å; A185-I236 HydrophobicContact CB-CG2 3.74Å; A185-F240 HydrophobicContact CB-CB 4.23Å; A185-F240 HydrophobicContact CB-CD1 3.86Å; A185-F240 HydrophobicContact CB-CD2 3.58Å; A185-F240 HydrophobicContact CB-CE1 4.08Å; A185-F240 HydrophobicContact CB-CE2 3.82Å; A185-F240 HydrophobicContact CB-CG 3.6Å; A185-F240 HydrophobicContact CB-CZ 4.05Å; A185-D248 WeakPolarHBondContact CA-OD1 3.43Å; A185-D248 WeakPolarHBondContact CB-OD1 3.32Å; A185-D248 PolarHBondContact N-OD1 3.02Å
186H94Very high83.1Confident35 Ų3551.4 Ų51.416%0.16227%0.271CS..G310 helixtrans-61.5-21.5-178.876-99000113F188 F189 F240 Y245 D248 S343 S363H186-F188 PolarHBondContact O-N 3.18Å; H186-F188 VanDerWaalsContact O-N 3.13Å; H186-F189 PolarHBondContact O-N 2.77Å; H186-F189 VanDerWaalsContact O-N 3.14Å; H186-F240 HydrophobicContact CB-CZ 3.9Å; H186-Y245 HydrophobicContact CB-CD1 4.36Å; H186-Y245 HydrophobicContact CB-CE1 3.99Å; H186-Y245 AromaticContact CG-CE1 3.95Å; H186-D248 IonicContact CE1-OD2 3.86Å; H186-D248 PolarHBondContact CE1-OD2 3.16Å; H186-D248 IonicContact CG-OD1 2.76Å; H186-D248 IonicContact CG-OD2 3.88Å; H186-D248 PolarHBondContact N-OD1 3.3Å; H186-D248 IonicContact ND1-OD1 3.9Å; H186-D248 PolarHBondContact ND1-OD1 3.35Å; H186-D248 IonicContact ND1-OD2 3.27Å; H186-D248 PolarHBondContact ND1-OD2 2.77Å; H186-S343 PolarHBondContact CE1-OG 2.95Å; H186-S343 WeakPolarHBondContact NE2-CB 3.38Å; H186-S343 PolarHBondContact NE2-OG 3.49Å; H186-S363 PolarHBondContact CE1-O 3.17Å
187C94.6Very high81.3Confident3 Ų353.7 Ų53.72%0.0228%0.282CS..G310 helixtrans-59.2-23.2174.5-69.10000113.7R163 C164 A184 A185R163-C187 WeakPolarHBondContact CD-O 3.06Å; R163-C187 PolarHBondContact NE-O 2.76Å; C164-C187 HydrophobicContact CB-CB 3.81Å; C164-C187 WeakPolarHBondContact CB-SG 3.23Å; C164-C187 WeakPolarHBondContact SG-CB 3.46Å; C164-C187 CovalentContact SG-SG 2.03Å; C164-C187 PolarHBondContact SG-SG 3.25Å; A184-C187 WeakPolarHBondContact O-CB 3.29Å; A185-C187 PolarHBondContact O-N 3.42Å; A185-C187 VanDerWaalsContact O-N 3.11Å
188F94.5Very high79.4Confident1 Ų158 Ų580%0.00430%0.302CS..G310 helixtrans-92.84.9-179.2-67.8-84.3000114.2T183 A185 H186 R202 I203 I208 S234 I236 A250 I252T183-F188 HydrophobicContact CG2-CE2 3.7Å; T183-F188 HydrophobicContact CG2-CZ 4.19Å; A185-F188 PolarHBondContact O-N 3.23Å; H186-F188 PolarHBondContact O-N 3.18Å; H186-F188 VanDerWaalsContact O-N 3.13Å; F188-R202 CarbonylContact O-C 3.57Å; F188-R202 WeakPolarHBondContact O-CA 3.38Å; F188-I203 PolarHBondContact O-N 2.97Å; F188-I208 HydrophobicContact CE1-CG1 4.46Å; F188-S234 VanDerWaalsContact CE1-CB 3.43Å; F188-I236 HydrophobicContact CB-CD1 3.69Å; F188-I236 HydrophobicContact CD2-CD1 4.4Å; F188-I236 HydrophobicContact CD2-CG1 4.41Å; F188-I236 HydrophobicContact CG-CD1 4.21Å; F188-A250 HydrophobicContact CD2-CB 3.97Å; F188-A250 HydrophobicContact CE2-CB 3.62Å; F188-I252 HydrophobicContact CE1-CG1 4.4Å; F188-I252 HydrophobicContact CE2-CG1 4.41Å; F188-I252 HydrophobicContact CZ-CD1 3.77Å; F188-I252 HydrophobicContact CZ-CG1 3.56Å
189F91.3Very high77.7Confident44 Ų4461.9 Ų61.919%0.19333%0.326CS..EExtended strand (participates in β ladder)trans-117140.7178.7-64.7-83.2000110.4R163 A185 H186 D200 E201 R202 I236 F240R163-F189 PolarHBondContact NH2-O 3.16Å; A185-F189 WeakPolarHBondContact O-CD2 3.41Å; H186-F189 PolarHBondContact O-N 2.77Å; H186-F189 VanDerWaalsContact O-N 3.14Å; F189-D200 HydrophobicContact CB-CB 4.07Å; F189-D200 HydrophobicContact CD1-CB 3.9Å; F189-D200 HydrophobicContact CG-CB 4.24Å; F189-E201 CarbonylContact C-O 3.53Å; F189-E201 WeakPolarHBondContact CA-O 3.27Å; F189-R202 HydrophobicContact CD1-CB 4.33Å; F189-R202 HydrophobicContact CE1-CB 4.1Å; F189-I236 HydrophobicContact CD2-CD1 4.44Å; F189-I236 HydrophobicContact CE2-CD1 3.5Å; F189-I236 VanDerWaalsContact CE2-CD1 3.5Å; F189-I236 HydrophobicContact CZ-CD1 3.69Å; F189-F240 HydrophobicContact CD2-CD1 4.49Å; F189-F240 AromaticContact CD2-CE1 3.82Å; F189-F240 HydrophobicContact CD2-CE1 3.82Å; F189-F240 AromaticContact CE2-CD1 3.73Å; F189-F240 HydrophobicContact CE2-CD1 3.73Å; F189-F240 AromaticContact CE2-CE1 3.5Å; F189-F240 HydrophobicContact CE2-CE1 3.5Å; F189-F240 VanDerWaalsContact CE2-CE1 3.5Å; F189-F240 HydrophobicContact CZ-CD1 4.34Å; F189-F240 HydrophobicContact CZ-CE1 4.37Å
190S80.3Confident76.5Confident34 Ų3462.6 Ų62.624%0.23833%0.332CS..EExtended strand (participates in β ladder)trans-113.1129.9169.9-164.30000108.3S192 E201S190-S192 PolarHBondContact O-N 2.83Å; S190-E201 PolarHBondContact N-O 2.47Å; S190-E201 PolarHBondContact O-N 3.05Å
191T66.7Low75.9Confident79 Ų7966.7 Ų66.749%0.48535%0.352SS..EExtended strand (participates in β ladder)trans-67.9115.5169.7-46.90000107.8E198T191-E198 HydrophobicContact CG2-CG 4.39Å
192S54.8Low75.5Confident28 Ų2871.5 Ų71.520%0.19637%0.37CS..EExtended strand (participates in β ladder)trans-84.9122.4172.1-169.30000109.1S190 F194 V199S190-S192 PolarHBondContact O-N 2.83Å; S192-F194 PolarHBondContact O-N 2.88Å; S192-F194 WeakPolarHBondContact OG-CD2 3.37Å; S192-F194 VanDerWaalsContact OG-CE2 3.29Å; S192-F194 WeakPolarHBondContact OG-CE2 3.47Å; S192-V199 PolarHBondContact N-O 3.36Å
193L47.9Very low75.3Confident167 Ų16771.8 Ų71.887%0.87437%0.371SS*.  trans-78.963.6172.3-68.7170.2000109.5
194F50Low75.1Confident146 Ų14674 Ų7464%0.6439%0.386SS*.  trans-85.9128.1159.2-78.3-70.2000108S192 I196S192-F194 PolarHBondContact O-N 2.88Å; S192-F194 WeakPolarHBondContact OG-CD2 3.37Å; S192-F194 VanDerWaalsContact OG-CE2 3.29Å; S192-F194 WeakPolarHBondContact OG-CE2 3.47Å; F194-I196 PolarHBondContact O-N 3.24Å
195P48.7Very low75Confident127 Ų12775.7 Ų75.783%0.82540%0.395SS*.THydrogen-bonded Turntrans-72.924.7-160.627.4-34.3000115.9
196I56.8Low74.9Confident155 Ų15584.6 Ų84.680%0.79543%0.43SS*.THydrogen-bonded Turntrans-142.5-25.9-174.17.3174.5000113.9F194F194-I196 PolarHBondContact O-N 3.24Å
197L52.9Low75Confident131 Ų13186 Ų8669%0.68644%0.436SS*.  trans-151124.4175.8-69.6170.7000109.2V199L197-V199 HydrophobicContact CB-CG2 4.13Å; L197-V199 PolarHBondContact O-N 2.91Å
198E54.8Low75.1Confident171 Ų17186.1 Ų86.180%0.79944%0.436SS*.  trans-65.6102.9166.1-71.7-179.7172.600108.2T191T191-E198 HydrophobicContact CG2-CG 4.39Å
199V58.8Low75.2Confident88 Ų8888.4 Ų88.453%0.53345%0.445SS..EExtended strand (participates in β ladder)trans-106.9117173-1750000107.8S192 L197 E201S192-V199 PolarHBondContact N-O 3.36Å; L197-V199 HydrophobicContact CB-CG2 4.13Å; L197-V199 PolarHBondContact O-N 2.91Å; V199-E201 PolarHBondContact O-N 3.16Å
200D72.8Confident75.5Confident68 Ų6886.3 Ų86.336%0.36444%0.436SS..EExtended strand (participates in β ladder)trans-71.5107.2172.5-78.4-28.8000109.5F189 A242F189-D200 HydrophobicContact CB-CB 4.07Å; F189-D200 HydrophobicContact CD1-CB 3.9Å; F189-D200 HydrophobicContact CG-CB 4.24Å; D200-A242 WeakPolarHBondContact OD2-CB 3.37Å
201E84.4Confident76.4Confident123 Ų12384.7 Ų84.758%0.57542%0.424SS*.EExtended strand (participates in β ladder)trans-88.1127.2177.1-168.3-179.9175.500110.1F189 S190 V199 I203F189-E201 CarbonylContact C-O 3.53Å; F189-E201 WeakPolarHBondContact CA-O 3.27Å; S190-E201 PolarHBondContact N-O 2.47Å; S190-E201 PolarHBondContact O-N 3.05Å; V199-E201 PolarHBondContact O-N 3.16Å; E201-I203 PolarHBondContact O-N 2.7Å
202R91.8Very high77.8Confident101 Ų10181 Ų8138%0.38140%0.401SS..EExtended strand (participates in β ladder)trans-69123.5175.9-175-176179.6116.8-1.5110.1F188 F189 P204 S234F188-R202 CarbonylContact O-C 3.57Å; F188-R202 WeakPolarHBondContact O-CA 3.38Å; F189-R202 HydrophobicContact CD1-CB 4.33Å; F189-R202 HydrophobicContact CE1-CB 4.1Å; R202-P204 WeakPolarHBondContact O-CD 3.24Å; R202-S234 PolarHBondContact NH2-O 3.46Å; R202-S234 PolarHBondContact NH2-OG 3.13Å
203I93.1Very high79.8Confident6 Ų679.8 Ų79.83%0.03139%0.393CS..PPolyproline II helixtrans-67.8124.4173.6-56.4165.2000108.8F188 E201 K207 I208F188-I203 PolarHBondContact O-N 2.97Å; E201-I203 PolarHBondContact O-N 2.7Å; I203-K207 HydrophobicContact CG2-CB 4.12Å; I203-I208 HydrophobicContact CB-CD1 4.48Å; I203-I208 HydrophobicContact CG2-CD1 3.68Å; I203-I208 HydrophobicContact CG2-CG1 4.06Å
204P94.6Very high82Confident48 Ų4872.3 Ų72.331%0.31236%0.355SS..PPolyproline II helixtrans-62.3139.8177.5-24.534.3000112.7R202 Y206 K207R202-P204 WeakPolarHBondContact O-CD 3.24Å; P204-Y206 HydrophobicContact CB-CD1 3.54Å; P204-Y206 HydrophobicContact CB-CE1 3.2Å; P204-Y206 HydrophobicContact CB-CG 4.46Å; P204-Y206 HydrophobicContact CG-CE1 3.91Å; P204-Y206 PolarHBondContact O-N 3.19Å; P204-Y206 VanDerWaalsContact O-N 3.13Å; P204-K207 WeakPolarHBondContact O-CB 3.42Å; P204-K207 PolarHBondContact O-N 3.4Å
205D96Very high84.1Confident35 Ų3565.8 Ų65.819%0.18733%0.326CS..G310 helixtrans-55.6-35.3-176.3-74.4-11.8000113.4K207 I208 V231 K233 S234D205-K207 PolarHBondContact O-N 2.82Å; D205-I208 PolarHBondContact O-N 3.27Å; D205-V231 HydrophobicContact CB-CB 4.46Å; D205-V231 HydrophobicContact CB-CG1 3.9Å; D205-K233 VanDerWaalsContact OD2-CA 3.3Å; D205-K233 WeakPolarHBondContact OD2-CA 3.47Å; D205-S234 VanDerWaalsContact OD1-CB 3.32Å; D205-S234 WeakPolarHBondContact OD1-CB 3.45Å; D205-S234 PolarHBondContact OD1-OG 3.14Å; D205-S234 PolarHBondContact OD2-N 3.4Å
206Y95.1Very high86.1Confident186 Ų18660 Ų6073%0.72929%0.288SS*.G310 helixtrans-66.9-17.1-18072-96.5000113.9P204 I208P204-Y206 HydrophobicContact CB-CD1 3.54Å; P204-Y206 HydrophobicContact CB-CE1 3.2Å; P204-Y206 HydrophobicContact CB-CG 4.46Å; P204-Y206 HydrophobicContact CG-CE1 3.91Å; P204-Y206 PolarHBondContact O-N 3.19Å; P204-Y206 VanDerWaalsContact O-N 3.13Å; Y206-I208 VanDerWaalsContact C-N 3.35Å
207K95.4Very high87.6Confident66 Ų6653.7 Ų53.729%0.28726%0.256SS..G310 helixtrans-85.7-9.1173.9-66.2-162.6168.4-152.50113.1E159 I203 P204 D205E159-K207 PolarHBondContact N-O 3.26Å; E159-K207 IonicContact OE1-NZ 2.61Å; E159-K207 PolarHBondContact OE1-NZ 2.83Å; I203-K207 HydrophobicContact CG2-CB 4.12Å; P204-K207 WeakPolarHBondContact O-CB 3.42Å; P204-K207 PolarHBondContact O-N 3.4Å; D205-K207 PolarHBondContact O-N 2.82Å
208I96.5Very high88.9Confident5 Ų550.3 Ų50.33%0.02624%0.241CC..EExtended strand (participates in β ladder)trans-102.6135.2-178.3-55.3-60.4000110.5V156 Q157 R158 F188 I203 D205 Y206 V231V156-I208 HydrophobicContact CG1-CG2 3.69Å; Q157-I208 VanDerWaalsContact O-CA 3.3Å; Q157-I208 WeakPolarHBondContact O-CA 3.32Å; R158-I208 HydrophobicContact CB-CD1 3.94Å; R158-I208 HydrophobicContact CG-CD1 4.43Å; F188-I208 HydrophobicContact CE1-CG1 4.46Å; I203-I208 HydrophobicContact CB-CD1 4.48Å; I203-I208 HydrophobicContact CG2-CD1 3.68Å; I203-I208 HydrophobicContact CG2-CG1 4.06Å; D205-I208 PolarHBondContact O-N 3.27Å; Y206-I208 VanDerWaalsContact C-N 3.35Å; I208-V231 HydrophobicContact CB-CB 4.5Å; I208-V231 HydrophobicContact CB-CG2 3.82Å; I208-V231 HydrophobicContact CG2-CG2 3.58Å; I208-V231 PolarHBondContact O-N 2.91Å
209R96.9Very high90Very high49 Ų4946.1 Ų46.119%0.18522%0.219CC..EExtended strand (participates in β ladder)trans-127.3156.9165.871.1-179.2-166.41700.7110Q157 N160 I228 R229Q157-R209 HydrophobicContact CB-CG 3.84Å; Q157-R209 PolarHBondContact N-O 2.79Å; Q157-R209 PolarHBondContact O-N 2.94Å; N160-R209 WeakPolarHBondContact OD1-CD 3.35Å; N160-R209 PolarHBondContact OD1-NE 3.14Å; N160-R209 VanDerWaalsContact OD1-NE 3.11Å; N160-R209 PolarHBondContact OD1-NH1 3.28Å; R209-I228 HydrophobicContact CB-CG2 4.48Å; R209-I228 HydrophobicContact CG-CG2 4.49Å; R209-R229 CarbonylContact C-O 3.31Å; R209-R229 WeakPolarHBondContact CA-O 3.39Å
210V98.1Very high91.3Very high0 Ų042.2 Ų42.20%020%0.195CC..EExtended strand (participates in β ladder)trans-119.9131.6178.2-1720000109.1V154 S155 V181 I228 R229 V231 I252 F258V154-V210 HydrophobicContact CB-CG1 3.58Å; V154-V210 HydrophobicContact CG1-CG1 4.07Å; V154-V210 HydrophobicContact CG2-CG1 3.54Å; S155-V210 WeakPolarHBondContact O-CA 3.34Å; V181-V210 HydrophobicContact CG2-CG1 4.22Å; V210-I228 CarbonylContact O-C 3.42Å; V210-I228 WeakPolarHBondContact O-CA 3.21Å; V210-R229 PolarHBondContact N-O 3.12Å; V210-R229 PolarHBondContact O-N 2.91Å; V210-V231 HydrophobicContact CG2-CG2 4.13Å; V210-I252 HydrophobicContact CG2-CD1 3.83Å; V210-I252 HydrophobicContact CG2-CG2 4.07Å; V210-F258 HydrophobicContact CB-CZ 3.96Å; V210-F258 HydrophobicContact CG1-CE2 4.3Å; V210-F258 HydrophobicContact CG1-CZ 3.7Å
211V97.7Very high91.8Very high0 Ų040.5 Ų40.50%019%0.185CC..EExtended strand (participates in β ladder)trans-117.5126.4-177.4179.60000109.4V154 S155 Q157 V214 L221 Q227 I228V154-V211 CarbonylContact C-O 3.49Å; V154-V211 WeakPolarHBondContact CA-O 3.42Å; V154-V211 VanDerWaalsContact CB-O 3.28Å; V154-V211 WeakPolarHBondContact CB-O 3.21Å; S155-V211 PolarHBondContact N-O 3.17Å; S155-V211 PolarHBondContact O-N 2.82Å; Q157-V211 HydrophobicContact CG-CG2 4.26Å; V211-V214 HydrophobicContact CG1-CG1 3.86Å; V211-V214 HydrophobicContact CG1-CG2 3.83Å; V211-L221 HydrophobicContact CB-CD2 4.26Å; V211-L221 HydrophobicContact CG1-CD2 3.37Å; V211-L221 HydrophobicContact CG2-CD2 3.93Å; V211-Q227 WeakPolarHBondContact CA-O 3.15Å; V211-I228 HydrophobicContact CG2-CG1 4.25Å; V211-I228 HydrophobicContact CG2-CG2 4.37Å
212A97.9Very high91.4Very high0 Ų037.2 Ų37.20%017%0.17CC..EExtended strand (participates in β ladder)trans-124.4163.3176.400000111.7V154 I168 Q227 F258 V264V154-A212 HydrophobicContact CG1-CB 3.67Å; I168-A212 HydrophobicContact CD1-CB 3.85Å; A212-Q227 HydrophobicContact CB-CB 4.45Å; A212-Q227 PolarHBondContact N-O 3.42Å; A212-Q227 PolarHBondContact O-N 2.91Å; A212-F258 HydrophobicContact CB-CD1 3.62Å; A212-F258 HydrophobicContact CB-CE1 3.43Å; A212-F258 VanDerWaalsContact CB-CE1 3.43Å; A212-F258 HydrophobicContact CB-CZ 4.32Å; A212-V264 HydrophobicContact CB-CG1 4.08Å; A212-V264 HydrophobicContact CB-CG2 4.08Å
213G96.3Very high91Very high3 Ų334.8 Ų34.83%0.03116%0.162CC..SBendtrans72.734.8174.800000113.2H225 Y263G213-H225 PolarHBondContact O-CE1 2.8Å; G213-H225 PolarHBondContact O-ND1 3.16Å; G213-Y263 WeakPolarHBondContact CA-O 3.38Å
214V94.6Very high90.5Very high10 Ų1042.2 Ų42.26%0.06119%0.189CC..  trans-129.1140-179.5-63.20000109.7V211 L217 D220 A226 W287V211-V214 HydrophobicContact CG1-CG1 3.86Å; V211-V214 HydrophobicContact CG1-CG2 3.83Å; V214-L217 HydrophobicContact CG2-CD2 4.26Å; V214-D220 HydrophobicContact CB-CB 3.73Å; V214-D220 HydrophobicContact CG1-CB 3.71Å; V214-A226 HydrophobicContact CG1-CB 3.79Å; V214-W287 HydrophobicContact CG2-CH2 4.2Å; V214-W287 HydrophobicContact CG2-CZ2 3.99Å; V214-W287 WeakPolarHBondContact O-CZ2 3.39Å
215H93.2Very high90.1Very high9 Ų940.8 Ų40.84%0.04218%0.179CC..SBendtrans-98.5-44.5166.7178.765.3000110E144 A145 P147 Y148 D220 W287 R299 L300E144-H215 IonicContact OE1-CD2 3.43Å; E144-H215 IonicContact OE1-CE1 3.29Å; E144-H215 IonicContact OE1-NE2 3.44Å; E144-H215 PolarHBondContact OE1-NE2 3.14Å; A145-H215 PolarHBondContact O-CE1 3.16Å; P147-H215 HydrophobicContact CB-CB 4.23Å; Y148-H215 HydrophobicContact CD1-CB 4.3Å; Y148-H215 HydrophobicContact CE1-CB 4.05Å; H215-D220 WeakPolarHBondContact CA-OD2 3.39Å; H215-D220 VanDerWaalsContact CB-OD2 3.3Å; H215-D220 WeakPolarHBondContact CB-OD2 3.47Å; H215-D220 PolarHBondContact N-OD2 2.91Å; H215-W287 PolarHBondContact O-NE1 2.74Å; H215-R299 WeakPolarHBondContact O-CA 3.32Å; H215-L300 PolarHBondContact O-N 3.06Å
216S90.8Very high90Very high5 Ų540 Ų404%0.03518%0.177CC..BIsolated β-bridgetrans-100.7125.6172.61660000111.7T218 Y219 D220 D298S216-T218 PolarHBondContact O-N 2.95Å; S216-T218 PolarHBondContact OG-N 3.28Å; S216-Y219 WeakPolarHBondContact OG-CB 3.35Å; S216-Y219 WeakPolarHBondContact OG-CD2 3.33Å; S216-Y219 PolarHBondContact OG-N 2.87Å; S216-D220 PolarHBondContact N-OD2 2.91Å; S216-D220 WeakPolarHBondContact O-CB 3.49Å; S216-D220 PolarHBondContact O-N 3.01Å; S216-D220 VanDerWaalsContact O-N 3.08Å; S216-D298 VanDerWaalsContact CA-O 3.29Å; S216-D298 WeakPolarHBondContact CA-O 3.47Å; S216-D298 WeakPolarHBondContact CB-OD2 3.43Å; S216-D298 PolarHBondContact OG-OD1 3.07Å; S216-D298 PolarHBondContact OG-OD2 2.62Å
217L88.5Confident90.1Very high23 Ų2332 Ų3212%0.1215%0.146CC..THydrogen-bonded Turntrans-68.5-20.7176.1-68176000113.1H162 V214 L221 W287 D298H162-L217 HydrophobicContact CB-CD1 3.67Å; V214-L217 HydrophobicContact CG2-CD2 4.26Å; L217-L221 WeakPolarHBondContact O-CD1 3.31Å; L217-L221 WeakPolarHBondContact O-CG 3.18Å; L217-W287 HydrophobicContact CD1-CB 3.61Å; L217-W287 HydrophobicContact CD1-CD2 3.91Å; L217-W287 HydrophobicContact CD1-CG 3.47Å; L217-W287 VanDerWaalsContact CD1-CG 3.47Å; L217-W287 HydrophobicContact CD2-CD2 3.95Å; L217-W287 HydrophobicContact CD2-CE3 4.29Å; L217-W287 HydrophobicContact CD2-CG 4.35Å; L217-W287 HydrophobicContact CD2-CH2 4.48Å; L217-W287 HydrophobicContact CD2-CZ2 4.16Å; L217-W287 HydrophobicContact CG-CB 4.45Å; L217-W287 HydrophobicContact CG-CD2 3.9Å; L217-W287 HydrophobicContact CG-CG 3.78Å; L217-D298 PolarHBondContact N-O 3.22Å; L217-D298 PolarHBondContact N-OD1 2.75Å
218T80.7Confident90.1Very high61 Ų6132.2 Ų32.237%0.37415%0.15SC..THydrogen-bonded Turntrans-94.3-51.3178.3-46.30000110.5M17 S216 F222 D298M17-T218 HydrophobicContact CE-CG2 3.39Å; M17-T218 WeakPolarHBondContact CE-O 3.27Å; M17-T218 HydrophobicContact CG-CG2 3.89Å; M17-T218 HydrophobicContact SD-CG2 4.04Å; S216-T218 PolarHBondContact O-N 2.95Å; S216-T218 PolarHBondContact OG-N 3.28Å; T218-F222 WeakPolarHBondContact O-CE2 3.48Å; T218-D298 WeakPolarHBondContact CB-OD1 3.32Å; T218-D298 PolarHBondContact N-OD1 2.51Å; T218-D298 PolarHBondContact OG1-OD1 2.89Å
219Y78Confident90.2Very high83 Ų8333.8 Ų33.833%0.32516%0.155SC..THydrogen-bonded Turntrans-83.2-37.2-170.4-62.5-69.4000113.8M17 K103 S216M17-Y219 HydrophobicContact CE-CD1 3.39Å; M17-Y219 HydrophobicContact CE-CE1 3.78Å; M17-Y219 HydrophobicContact CE-CG 4.06Å; M17-Y219 HydrophobicContact SD-CD1 4.15Å; M17-Y219 HydrophobicContact SD-CE1 3.98Å; K103-Y219 HydrophobicContact CB-CD1 4.25Å; K103-Y219 HydrophobicContact CB-CE1 3.74Å; K103-Y219 HydrophobicContact CD-CE1 4.26Å; K103-Y219 HydrophobicContact CG-CE1 3.94Å; S216-Y219 WeakPolarHBondContact OG-CB 3.35Å; S216-Y219 WeakPolarHBondContact OG-CD2 3.33Å; S216-Y219 PolarHBondContact OG-N 2.87Å
220D85.9Confident90.2Very high5 Ų538.4 Ų38.43%0.02718%0.177CC..G310 helixtrans-86.8-15.6-171.3-65.2-33.6000113.8Y148 V214 H215 S216 F222 K223 A226Y148-D220 WeakPolarHBondContact CE1-OD2 3.22Å; Y148-D220 VanDerWaalsContact OH-CG 3.26Å; Y148-D220 PolarHBondContact OH-OD1 2.88Å; Y148-D220 PolarHBondContact OH-OD2 3.37Å; V214-D220 HydrophobicContact CB-CB 3.73Å; V214-D220 HydrophobicContact CG1-CB 3.71Å; H215-D220 WeakPolarHBondContact CA-OD2 3.39Å; H215-D220 VanDerWaalsContact CB-OD2 3.3Å; H215-D220 WeakPolarHBondContact CB-OD2 3.47Å; H215-D220 PolarHBondContact N-OD2 2.91Å; S216-D220 PolarHBondContact N-OD2 2.91Å; S216-D220 WeakPolarHBondContact O-CB 3.49Å; S216-D220 PolarHBondContact O-N 3.01Å; S216-D220 VanDerWaalsContact O-N 3.08Å; D220-F222 PolarHBondContact O-N 3.04Å; D220-K223 HydrophobicContact CB-CD 4.41Å; D220-K223 WeakPolarHBondContact O-CB 3.11Å; D220-K223 PolarHBondContact O-N 2.9Å; D220-K223 VanDerWaalsContact OD1-CD 3.28Å; D220-K223 WeakPolarHBondContact OD1-CD 3Å; D220-K223 WeakPolarHBondContact OD1-CE 3.48Å; D220-K223 IonicContact OD1-NZ 3.96Å; D220-K223 PolarHBondContact OD1-NZ 3.46Å; D220-A226 VanDerWaalsContact O-CB 3.23Å; D220-A226 WeakPolarHBondContact O-CB 3.33Å
221L83.4Confident90.2Very high32 Ų3238.7 Ų38.717%0.16818%0.178CC..G310 helixtrans-53.3-24.6178.1-82.1-179.9000113.9V211 L217 I228V211-L221 HydrophobicContact CB-CD2 4.26Å; V211-L221 HydrophobicContact CG1-CD2 3.37Å; V211-L221 HydrophobicContact CG2-CD2 3.93Å; L217-L221 WeakPolarHBondContact O-CD1 3.31Å; L217-L221 WeakPolarHBondContact O-CG 3.18Å; L221-I228 HydrophobicContact CD2-CD1 4.25Å
222F76Confident90.2Very high55 Ų5540.7 Ų40.724%0.24120%0.199CC..G310 helixtrans-103.2-0.2-176.1-57.9-85.2000112.3M17 R19 M29 T218 D220M17-F222 HydrophobicContact CB-CE2 3.8Å; M17-F222 HydrophobicContact CB-CZ 3.95Å; M17-F222 HydrophobicContact CE-CE2 4.32Å; M17-F222 WeakPolarHBondContact O-CZ 3.13Å; R19-F222 HydrophobicContact CB-CB 3.97Å; R19-F222 HydrophobicContact CB-CD1 3.73Å; R19-F222 HydrophobicContact CB-CG 4.18Å; R19-F222 WeakPolarHBondContact CD-O 3.28Å; R19-F222 HydrophobicContact CG-CB 4.19Å; R19-F222 PolarHBondContact NE-O 3.48Å; R19-F222 PolarHBondContact NH1-O 3.09Å; R19-F222 PolarHBondContact NH2-O 3.48Å; M29-F222 HydrophobicContact CE-CB 3.75Å; M29-F222 HydrophobicContact CE-CD1 4.18Å; M29-F222 HydrophobicContact CE-CD2 2.99Å; M29-F222 HydrophobicContact CE-CE2 3.47Å; M29-F222 VanDerWaalsContact CE-CE2 3.47Å; M29-F222 HydrophobicContact CE-CG 3.38Å; M29-F222 HydrophobicContact CE-CZ 4.23Å; M29-F222 HydrophobicContact SD-CB 3.21Å; M29-F222 WeakPolarHBondContact SD-CB 3.39Å; M29-F222 HydrophobicContact SD-CD2 3.75Å; M29-F222 HydrophobicContact SD-CG 3.6Å; M29-F222 VanDerWaalsContact SD-CG 3.6Å; T218-F222 WeakPolarHBondContact O-CE2 3.48Å; D220-F222 PolarHBondContact O-N 3.04Å
223K82.1Confident90.1Very high50 Ų5045.8 Ų45.822%0.21722%0.221CC..SBendtrans-76.1152.9175.1-69.7-172.8177.7164.50110.7Y148 D220 H225 A226Y148-K223 PolarHBondContact OH-NZ 2.79Å; D220-K223 HydrophobicContact CB-CD 4.41Å; D220-K223 WeakPolarHBondContact O-CB 3.11Å; D220-K223 PolarHBondContact O-N 2.9Å; D220-K223 VanDerWaalsContact OD1-CD 3.28Å; D220-K223 WeakPolarHBondContact OD1-CD 3Å; D220-K223 WeakPolarHBondContact OD1-CE 3.48Å; D220-K223 IonicContact OD1-NZ 3.96Å; D220-K223 PolarHBondContact OD1-NZ 3.46Å; K223-H225 VanDerWaalsContact CB-NE2 3.32Å; K223-H225 WeakPolarHBondContact CB-NE2 3.47Å; K223-H225 WeakPolarHBondContact CD-NE2 2.98Å; K223-H225 PolarHBondContact O-N 2.03Å; K223-A226 WeakPolarHBondContact O-CB 3.33Å; K223-A226 PolarHBondContact O-N 2.82Å; K223-A226 VanDerWaalsContact O-N 3.17Å
224R82.4Confident90.1Very high161 Ų16145.9 Ų45.961%0.60822%0.221SC*.THydrogen-bonded Turntrans-64.2-25.8-177.6-69.7-167.6174-172.1-1113.4
225H87.7Confident90.3Very high19 Ų1948 Ų489%0.08823%0.229CC..THydrogen-bonded Turntrans-82.4-13.6178.460.169.4000113.3Y148 G213 K223 Y263Y148-H225 AromaticContact CE1-CE1 3.4Å; Y148-H225 WeakPolarHBondContact CE1-CE1 3.35Å; Y148-H225 AromaticContact CE1-NE2 3.96Å; Y148-H225 AromaticContact CZ-CE1 3.69Å; Y148-H225 AromaticContact CZ-NE2 3.77Å; G213-H225 PolarHBondContact O-CE1 2.8Å; G213-H225 PolarHBondContact O-ND1 3.16Å; K223-H225 VanDerWaalsContact CB-NE2 3.32Å; K223-H225 WeakPolarHBondContact CB-NE2 3.47Å; K223-H225 WeakPolarHBondContact CD-NE2 2.98Å; K223-H225 PolarHBondContact O-N 2.03Å; H225-Y263 HydrophobicContact CB-CD1 4.41Å; H225-Y263 HydrophobicContact CB-CD2 3.51Å; H225-Y263 HydrophobicContact CB-CE2 4Å; H225-Y263 HydrophobicContact CB-CG 3.75Å; H225-Y263 AromaticContact CG-CD1 3.95Å; H225-Y263 AromaticContact CG-CD2 3.92Å; H225-Y263 AromaticContact CG-CG 3.78Å
226A93Very high90.4Very high19 Ų1948.9 Ų48.916%0.15723%0.233CC..  trans-69.9134.3178.600000110.5V214 D220 K223V214-A226 HydrophobicContact CG1-CB 3.79Å; D220-A226 VanDerWaalsContact O-CB 3.23Å; D220-A226 WeakPolarHBondContact O-CB 3.33Å; K223-A226 WeakPolarHBondContact O-CB 3.33Å; K223-A226 PolarHBondContact O-N 2.82Å; K223-A226 VanDerWaalsContact O-N 3.17Å
227Q96.6Very high90.7Very high17 Ų1749.8 Ų49.88%0.07924%0.237CC..EExtended strand (participates in β ladder)trans-119.1108.2-176.9-66.3-17146.100109.9V211 A212 F258 E259 V264V211-Q227 WeakPolarHBondContact CA-O 3.15Å; A212-Q227 HydrophobicContact CB-CB 4.45Å; A212-Q227 PolarHBondContact N-O 3.42Å; A212-Q227 PolarHBondContact O-N 2.91Å; Q227-F258 HydrophobicContact CB-CD1 3.89Å; Q227-F258 HydrophobicContact CB-CE1 4.19Å; Q227-E259 PolarHBondContact NE2-O 3.21Å; Q227-V264 HydrophobicContact CG-CG2 4.32Å
228I96.6Very high91.1Very high70 Ų7053.9 Ų53.936%0.35927%0.265SS..EExtended strand (participates in β ladder)trans-98.3129.5175-52.3177.6000108.4R209 V210 V211 L221R209-I228 HydrophobicContact CB-CG2 4.48Å; R209-I228 HydrophobicContact CG-CG2 4.49Å; V210-I228 CarbonylContact O-C 3.42Å; V210-I228 WeakPolarHBondContact O-CA 3.21Å; V211-I228 HydrophobicContact CG2-CG1 4.25Å; V211-I228 HydrophobicContact CG2-CG2 4.37Å; L221-I228 HydrophobicContact CD2-CD1 4.25Å
229R97.5Very high91.8Very high39 Ų3960.1 Ų60.115%0.14728%0.282CS..EExtended strand (participates in β ladder)trans-130.2131.2-178.1-63-59.5-177.4-89.4-1.9111.2R209 V210 T254 R256 P257 F258R209-R229 CarbonylContact C-O 3.31Å; R209-R229 WeakPolarHBondContact CA-O 3.39Å; V210-R229 PolarHBondContact N-O 3.12Å; V210-R229 PolarHBondContact O-N 2.91Å; R229-T254 HydrophobicContact CB-CG2 3.71Å; R229-T254 HydrophobicContact CG-CG2 4.44Å; R229-R256 VanDerWaalsContact CD-O 3.31Å; R229-R256 WeakPolarHBondContact CD-O 3.25Å; R229-P257 VanDerWaalsContact CZ-O 3.25Å; R229-P257 PolarHBondContact NE-O 3.41Å; R229-P257 PolarHBondContact NH2-O 2.81Å; R229-F258 HydrophobicContact CB-CE1 4.19Å; R229-F258 HydrophobicContact CB-CE2 4.37Å; R229-F258 HydrophobicContact CB-CZ 3.84Å; R229-F258 HydrophobicContact CG-CD1 3.9Å; R229-F258 HydrophobicContact CG-CD2 4.43Å; R229-F258 HydrophobicContact CG-CE1 3.46Å; R229-F258 VanDerWaalsContact CG-CE1 3.46Å; R229-F258 HydrophobicContact CG-CE2 4.05Å; R229-F258 HydrophobicContact CG-CG 4.37Å; R229-F258 HydrophobicContact CG-CZ 3.55Å
230K97.5Very high92.6Very high146 Ų14657.7 Ų57.764%0.63527%0.273SS*.EExtended strand (participates in β ladder)trans-73.7143.1168.5-67.4-175179.4-177.30109.7G232 T254 Q255K230-G232 PolarHBondContact O-N 2.81Å; K230-T254 WeakPolarHBondContact O-CA 3.32Å; K230-Q255 HydrophobicContact CB-CG 4.35Å; K230-Q255 PolarHBondContact O-N 2.91Å
231V97.8Very high92.9Very high5 Ų559.3 Ų59.33%0.0329%0.287CS..EExtended strand (participates in β ladder)trans-70.9128.5172.2176.60000109D205 I208 V210 I252D205-V231 HydrophobicContact CB-CB 4.46Å; D205-V231 HydrophobicContact CB-CG1 3.9Å; I208-V231 HydrophobicContact CB-CB 4.5Å; I208-V231 HydrophobicContact CB-CG2 3.82Å; I208-V231 HydrophobicContact CG2-CG2 3.58Å; I208-V231 PolarHBondContact O-N 2.91Å; V210-V231 HydrophobicContact CG2-CG2 4.13Å; V231-I252 HydrophobicContact CB-CG2 4.36Å; V231-I252 HydrophobicContact CG1-CG2 4.03Å; V231-I252 HydrophobicContact CG2-CG2 3.71Å
232G96.8Very high93Very high42 Ų4259.3 Ų59.343%0.43329%0.291SS..EExtended strand (participates in β ladder)trans-86.1-45.5169.900000110.7K230 K253K230-G232 PolarHBondContact O-N 2.81Å; G232-K253 WeakPolarHBondContact CA-O 3.49Å; G232-K253 PolarHBondContact N-O 2.88Å
233K96.8Very high93.4Very high107 Ų10768.1 Ų68.147%0.46532%0.323SS..EExtended strand (participates in β ladder)trans-155.6140.7174.9-172.6159.6176.5174.30111.6D205 Y235 K253D205-K233 VanDerWaalsContact OD2-CA 3.3Å; D205-K233 WeakPolarHBondContact OD2-CA 3.47Å; K233-Y235 HydrophobicContact CB-CE2 4.06Å; K233-Y235 HydrophobicContact CD-CE1 3.9Å; K233-Y235 HydrophobicContact CD-CE2 4.17Å; K233-Y235 HydrophobicContact CG-CD2 4.36Å; K233-Y235 HydrophobicContact CG-CE1 4.26Å; K233-Y235 HydrophobicContact CG-CE2 3.88Å; K233-K253 PolarHBondContact N-O 3.15Å; K233-K253 PolarHBondContact O-N 3.02Å
234S96.9Very high93.6Very high5 Ų570.4 Ų70.44%0.03533%0.333CS..EExtended strand (participates in β ladder)trans-107.8128.9167.867.70000112.1F188 R202 D205F188-S234 VanDerWaalsContact CE1-CB 3.43Å; R202-S234 PolarHBondContact NH2-O 3.46Å; R202-S234 PolarHBondContact NH2-OG 3.13Å; D205-S234 VanDerWaalsContact OD1-CB 3.32Å; D205-S234 WeakPolarHBondContact OD1-CB 3.45Å; D205-S234 PolarHBondContact OD1-OG 3.14Å; D205-S234 PolarHBondContact OD2-N 3.4Å
235Y97.2Very high94Very high56 Ų5666.7 Ų66.722%0.2232%0.319CS..EExtended strand (participates in β ladder)trans-106.4106.3178.7-59.1-92.8000109K233 A250 V251 K253 W386 K390K233-Y235 HydrophobicContact CB-CE2 4.06Å; K233-Y235 HydrophobicContact CD-CE1 3.9Å; K233-Y235 HydrophobicContact CD-CE2 4.17Å; K233-Y235 HydrophobicContact CG-CD2 4.36Å; K233-Y235 HydrophobicContact CG-CE1 4.26Å; K233-Y235 HydrophobicContact CG-CE2 3.88Å; Y235-A250 CarbonylContact O-C 3.54Å; Y235-A250 WeakPolarHBondContact O-CA 3.37Å; Y235-V251 PolarHBondContact N-O 3.14Å; Y235-V251 PolarHBondContact O-N 3.17Å; Y235-K253 HydrophobicContact CE2-CB 4.05Å; Y235-W386 WeakPolarHBondContact O-CH2 3.37Å; Y235-K390 HydrophobicContact CD1-CD 3.94Å; Y235-K390 HydrophobicContact CD2-CB 4.48Å; Y235-K390 HydrophobicContact CE1-CD 4.48Å; Y235-K390 HydrophobicContact CG-CB 4.45Å; Y235-K390 HydrophobicContact CG-CD 4.17Å; Y235-K390 HydrophobicContact CG-CG 4.31Å
236I96.6Very high94.4Very high27 Ų2767.5 Ų67.514%0.13832%0.323CS..EExtended strand (participates in β ladder)trans-85.9141172.6-61.9-176000108.3A185 F188 F189 F240 A250A185-I236 HydrophobicContact CB-CG2 3.74Å; F188-I236 HydrophobicContact CB-CD1 3.69Å; F188-I236 HydrophobicContact CD2-CD1 4.4Å; F188-I236 HydrophobicContact CD2-CG1 4.41Å; F188-I236 HydrophobicContact CG-CD1 4.21Å; F189-I236 HydrophobicContact CD2-CD1 4.44Å; F189-I236 HydrophobicContact CE2-CD1 3.5Å; F189-I236 VanDerWaalsContact CE2-CD1 3.5Å; F189-I236 HydrophobicContact CZ-CD1 3.69Å; I236-F240 HydrophobicContact CG2-CB 3.85Å; I236-F240 HydrophobicContact CG2-CD1 4.19Å; I236-F240 HydrophobicContact CG2-CG 4.25Å; I236-A250 HydrophobicContact CG1-CB 4.38Å
237H97.2Very high94.6Very high23 Ų2368 Ų6811%0.10632%0.323CS..  trans-57.5128.8175.3-167.7-85.4000110.2R239 F240 N247 I249 F383 W386H237-R239 PolarHBondContact ND1-N 2.67Å; H237-R239 PolarHBondContact O-N 2.89Å; H237-F240 VanDerWaalsContact O-CB 3.28Å; H237-F240 WeakPolarHBondContact O-CB 3.35Å; H237-F240 PolarHBondContact O-N 2.78Å; H237-N247 HydrophobicContact CB-CB 4.22Å; H237-N247 WeakPolarHBondContact ND1-CB 3.39Å; H237-I249 HydrophobicContact CB-CG2 3.77Å; H237-I249 PolarHBondContact N-O 2.85Å; H237-I249 VanDerWaalsContact N-O 3.14Å; H237-F383 AromaticContact CD2-CD1 3.7Å; H237-F383 AromaticContact CD2-CE1 3.85Å; H237-F383 AromaticContact NE2-CD1 3.85Å; H237-F383 AromaticContact NE2-CE1 3.85Å; H237-W386 HydrophobicContact CB-CH2 4.49Å; H237-W386 HydrophobicContact CB-CZ2 4.09Å; H237-W386 AromaticContact CD2-CD1 3.6Å; H237-W386 AromaticContact CD2-CD2 3.58Å; H237-W386 AromaticContact CD2-CE2 3.68Å; H237-W386 AromaticContact CD2-CG 3.56Å; H237-W386 AromaticContact CD2-NE1 3.64Å; H237-W386 AromaticContact NE2-CD1 3.9Å; H237-W386 AromaticContact NE2-CG 3.97Å
238P95.4Very high94.6Very high109 Ų10967.1 Ų67.171%0.70832%0.319SS*.THydrogen-bonded Turntrans-65.3-17.6-171.625.4-35.7000113.8
239R95.9Very high94.7Very high192 Ų19263.8 Ų63.873%0.72530%0.302SS*.THydrogen-bonded Turntrans-10217.8175.4-56.2-177.1-178.6163.3-0.5113.2H237 A241 N247H237-R239 PolarHBondContact ND1-N 2.67Å; H237-R239 PolarHBondContact O-N 2.89Å; R239-A241 PolarHBondContact O-N 3.01Å; R239-N247 PolarHBondContact O-ND2 3.2Å
240F95.2Very high94.7Very high33 Ų3362 Ų6215%0.14530%0.295CS..  trans-61128.3175174.1-118.9000110.2A185 H186 F189 I236 H237 A242 F246 D248A185-F240 HydrophobicContact CB-CB 4.23Å; A185-F240 HydrophobicContact CB-CD1 3.86Å; A185-F240 HydrophobicContact CB-CD2 3.58Å; A185-F240 HydrophobicContact CB-CE1 4.08Å; A185-F240 HydrophobicContact CB-CE2 3.82Å; A185-F240 HydrophobicContact CB-CG 3.6Å; A185-F240 HydrophobicContact CB-CZ 4.05Å; H186-F240 HydrophobicContact CB-CZ 3.9Å; F189-F240 HydrophobicContact CD2-CD1 4.49Å; F189-F240 AromaticContact CD2-CE1 3.82Å; F189-F240 HydrophobicContact CD2-CE1 3.82Å; F189-F240 AromaticContact CE2-CD1 3.73Å; F189-F240 HydrophobicContact CE2-CD1 3.73Å; F189-F240 AromaticContact CE2-CE1 3.5Å; F189-F240 HydrophobicContact CE2-CE1 3.5Å; F189-F240 VanDerWaalsContact CE2-CE1 3.5Å; F189-F240 HydrophobicContact CZ-CD1 4.34Å; F189-F240 HydrophobicContact CZ-CE1 4.37Å; I236-F240 HydrophobicContact CG2-CB 3.85Å; I236-F240 HydrophobicContact CG2-CD1 4.19Å; I236-F240 HydrophobicContact CG2-CG 4.25Å; H237-F240 VanDerWaalsContact O-CB 3.28Å; H237-F240 WeakPolarHBondContact O-CB 3.35Å; H237-F240 PolarHBondContact O-N 2.78Å; F240-A242 HydrophobicContact CE1-CB 3.93Å; F240-A242 HydrophobicContact CZ-CB 4.1Å; F240-F246 VanDerWaalsContact CA-O 3.29Å; F240-F246 WeakPolarHBondContact CA-O 3.27Å; F240-F246 WeakPolarHBondContact CD2-O 3.41Å; F240-D248 HydrophobicContact CD2-CB 4.17Å; F240-D248 HydrophobicContact CE2-CB 3.83Å; F240-D248 WeakPolarHBondContact CE2-OD1 3.46Å
241A92.2Very high94.7Very high38 Ų3855.1 Ų55.131%0.31427%0.265SS..BIsolated β-bridgetrans-121.396.4178.800000110.3R239 R243 K244 Y245 F246R239-A241 PolarHBondContact O-N 3.01Å; A241-R243 VanDerWaalsContact C-N 3.35Å; A241-R243 PolarHBondContact O-N 2.96Å; A241-K244 CarbonylContact O-C 3.57Å; A241-K244 PolarHBondContact O-N 3.13Å; A241-Y245 PolarHBondContact O-N 3.22Å; A241-F246 HydrophobicContact CB-CB 4.12Å; A241-F246 PolarHBondContact N-O 2.66Å; A241-F246 PolarHBondContact O-N 3.34Å
242A86Confident94.8Very high32 Ų3254.9 Ų54.926%0.26426%0.264SS..G310 helixtrans-49.8-48.5-171.300000113.7D200 F240 K244 Y245D200-A242 WeakPolarHBondContact OD2-CB 3.37Å; F240-A242 HydrophobicContact CE1-CB 3.93Å; F240-A242 HydrophobicContact CZ-CB 4.1Å; A242-K244 VanDerWaalsContact C-N 3.25Å; A242-K244 PolarHBondContact O-N 3.2Å; A242-K244 VanDerWaalsContact O-N 3.16Å; A242-Y245 PolarHBondContact O-N 2.97Å
243R84Confident94.8Very high241 Ų24155.9 Ų55.991%0.90926%0.256SS*.G310 helixtrans-60.2-29.2-178.6-172.5174.6177.7173.62.3114.7A241A241-R243 VanDerWaalsContact C-N 3.35Å; A241-R243 PolarHBondContact O-N 2.96Å
244K86.9Confident94.9Very high97 Ų9751 Ų5142%0.42224%0.235SC..G310 helixtrans-114.8-0.7-177-63.5-171.3179.4-1790113.4A241 A242 F246A241-K244 CarbonylContact O-C 3.57Å; A241-K244 PolarHBondContact O-N 3.13Å; A242-K244 VanDerWaalsContact C-N 3.25Å; A242-K244 PolarHBondContact O-N 3.2Å; A242-K244 VanDerWaalsContact O-N 3.16Å; K244-F246 HydrophobicContact CB-CD1 3.72Å; K244-F246 HydrophobicContact CB-CD2 4.1Å; K244-F246 HydrophobicContact CB-CE1 3.66Å; K244-F246 HydrophobicContact CB-CE2 4.05Å; K244-F246 HydrophobicContact CB-CG 3.96Å; K244-F246 HydrophobicContact CB-CZ 3.84Å; K244-F246 HydrophobicContact CD-CD2 4.2Å; K244-F246 HydrophobicContact CD-CE1 4.18Å; K244-F246 HydrophobicContact CD-CE2 3.48Å; K244-F246 VanDerWaalsContact CD-CE2 3.48Å; K244-F246 HydrophobicContact CD-CZ 3.48Å; K244-F246 VanDerWaalsContact CD-CZ 3.48Å; K244-F246 HydrophobicContact CG-CE2 4.42Å; K244-F246 HydrophobicContact CG-CZ 4.28Å; K244-F246 VanDerWaalsContact O-CD1 3.24Å; K244-F246 WeakPolarHBondContact O-CD1 3.38Å; K244-F246 PolarHBondContact O-N 3.02Å; K244-F246 VanDerWaalsContact O-N 3.1Å
245Y91.1Very high94.9Very high83 Ų8356.6 Ų56.633%0.32526%0.261SS..THydrogen-bonded Turntrans53.226.7-173.6-62.6-94.9000114H186 A241 A242 D248 F364H186-Y245 HydrophobicContact CB-CD1 4.36Å; H186-Y245 HydrophobicContact CB-CE1 3.99Å; H186-Y245 AromaticContact CG-CE1 3.95Å; A241-Y245 PolarHBondContact O-N 3.22Å; A242-Y245 PolarHBondContact O-N 2.97Å; Y245-D248 WeakPolarHBondContact O-CB 3.3Å; Y245-F364 VanDerWaalsContact CB-CD1 3.47Å; Y245-F364 HydrophobicContact CD1-CB 4.17Å; Y245-F364 HydrophobicContact CD1-CD1 4.37Å; Y245-F364 HydrophobicContact CD2-CB 4.22Å; Y245-F364 HydrophobicContact CD2-CD1 4.17Å; Y245-F364 HydrophobicContact CD2-CG 4.12Å; Y245-F364 HydrophobicContact CE1-CB 4.31Å; Y245-F364 HydrophobicContact CE2-CB 4.38Å; Y245-F364 HydrophobicContact CG-CB 4.12Å; Y245-F364 AromaticContact CG-CD1 3.76Å; Y245-F364 HydrophobicContact CG-CD1 3.76Å; Y245-F364 HydrophobicContact CG-CE1 4.45Å; Y245-F364 HydrophobicContact CG-CG 4.08Å
246F94.7Very high94.9Very high37 Ų3762.9 Ų62.916%0.16228%0.284CS..BIsolated β-bridgetrans-71.4136175.9-63.2-12.7000109.5F240 A241 K244 D248 I320 L322 I325 M326F240-F246 VanDerWaalsContact CA-O 3.29Å; F240-F246 WeakPolarHBondContact CA-O 3.27Å; F240-F246 WeakPolarHBondContact CD2-O 3.41Å; A241-F246 HydrophobicContact CB-CB 4.12Å; A241-F246 PolarHBondContact N-O 2.66Å; A241-F246 PolarHBondContact O-N 3.34Å; K244-F246 HydrophobicContact CB-CD1 3.72Å; K244-F246 HydrophobicContact CB-CD2 4.1Å; K244-F246 HydrophobicContact CB-CE1 3.66Å; K244-F246 HydrophobicContact CB-CE2 4.05Å; K244-F246 HydrophobicContact CB-CG 3.96Å; K244-F246 HydrophobicContact CB-CZ 3.84Å; K244-F246 HydrophobicContact CD-CD2 4.2Å; K244-F246 HydrophobicContact CD-CE1 4.18Å; K244-F246 HydrophobicContact CD-CE2 3.48Å; K244-F246 VanDerWaalsContact CD-CE2 3.48Å; K244-F246 HydrophobicContact CD-CZ 3.48Å; K244-F246 VanDerWaalsContact CD-CZ 3.48Å; K244-F246 HydrophobicContact CG-CE2 4.42Å; K244-F246 HydrophobicContact CG-CZ 4.28Å; K244-F246 VanDerWaalsContact O-CD1 3.24Å; K244-F246 WeakPolarHBondContact O-CD1 3.38Å; K244-F246 PolarHBondContact O-N 3.02Å; K244-F246 VanDerWaalsContact O-N 3.1Å; F246-D248 VanDerWaalsContact C-N 3.26Å; F246-D248 PolarHBondContact O-N 2.98Å; F246-I320 WeakPolarHBondContact CE1-O 3.23Å; F246-L322 HydrophobicContact CD1-CD1 3.6Å; F246-L322 HydrophobicContact CD1-CG 4.18Å; F246-L322 HydrophobicContact CD2-CD1 3.88Å; F246-L322 HydrophobicContact CE1-CD1 3.43Å; F246-L322 VanDerWaalsContact CE1-CD1 3.43Å; F246-L322 HydrophobicContact CE1-CG 3.65Å; F246-L322 HydrophobicContact CE2-CD1 3.72Å; F246-L322 HydrophobicContact CG-CD1 3.82Å; F246-L322 HydrophobicContact CZ-CD1 3.48Å; F246-L322 VanDerWaalsContact CZ-CD1 3.48Å; F246-L322 HydrophobicContact CZ-CD2 4.33Å; F246-L322 HydrophobicContact CZ-CG 3.84Å; F246-I325 HydrophobicContact CB-CD1 4.39Å; F246-M326 HydrophobicContact CD1-CE 3.66Å; F246-M326 HydrophobicContact CE1-CE 4.16Å
247N96.9Very high94.9Very high28 Ų2862.8 Ų62.815%0.1529%0.285CS..THydrogen-bonded Turntrans55.540.5-178.5-45.2-73.5000112.7H237 R239 I249 F383H237-N247 HydrophobicContact CB-CB 4.22Å; H237-N247 WeakPolarHBondContact ND1-CB 3.39Å; R239-N247 PolarHBondContact O-ND2 3.2Å; N247-I249 PolarHBondContact O-N 2.91Å; N247-F383 HydrophobicContact CB-CE1 3.9Å; N247-F383 HydrophobicContact CB-CZ 4.11Å; N247-F383 WeakPolarHBondContact OD1-CE1 3.28Å; N247-F383 WeakPolarHBondContact OD1-CZ 3.39Å
248D97.5Very high94.8Very high0 Ų061.7 Ų61.70%028%0.28CS..  trans-74.773.7-179.9-174.626.8000111.7A185 H186 F240 Y245 F246 S363 T378A185-D248 WeakPolarHBondContact CA-OD1 3.43Å; A185-D248 WeakPolarHBondContact CB-OD1 3.32Å; A185-D248 PolarHBondContact N-OD1 3.02Å; H186-D248 IonicContact CE1-OD2 3.86Å; H186-D248 PolarHBondContact CE1-OD2 3.16Å; H186-D248 IonicContact CG-OD1 2.76Å; H186-D248 IonicContact CG-OD2 3.88Å; H186-D248 PolarHBondContact N-OD1 3.3Å; H186-D248 IonicContact ND1-OD1 3.9Å; H186-D248 PolarHBondContact ND1-OD1 3.35Å; H186-D248 IonicContact ND1-OD2 3.27Å; H186-D248 PolarHBondContact ND1-OD2 2.77Å; F240-D248 HydrophobicContact CD2-CB 4.17Å; F240-D248 HydrophobicContact CE2-CB 3.83Å; F240-D248 WeakPolarHBondContact CE2-OD1 3.46Å; Y245-D248 WeakPolarHBondContact O-CB 3.3Å; F246-D248 VanDerWaalsContact C-N 3.26Å; F246-D248 PolarHBondContact O-N 2.98Å; D248-S363 WeakPolarHBondContact CB-OG 3.27Å; D248-S363 WeakPolarHBondContact OD2-CB 3.46Å; D248-S363 PolarHBondContact OD2-OG 3.02Å; D248-T378 PolarHBondContact O-OG1 2.72Å
249I98.2Very high94.8Very high0 Ų060.8 Ų60.80%027%0.266CS..  trans-145.9139.8-178.7-163.9171.7000110.8L182 H237 N247 T378 F383 W386 I387L182-I249 HydrophobicContact CD1-CD1 3.95Å; L182-I249 HydrophobicContact CD1-CG1 3.91Å; L182-I249 HydrophobicContact CD2-CD1 4.15Å; L182-I249 HydrophobicContact CG-CD1 4.26Å; L182-I249 HydrophobicContact CG-CG1 4.22Å; H237-I249 HydrophobicContact CB-CG2 3.77Å; H237-I249 PolarHBondContact N-O 2.85Å; H237-I249 VanDerWaalsContact N-O 3.14Å; N247-I249 PolarHBondContact O-N 2.91Å; I249-T378 HydrophobicContact CB-CG2 4.09Å; I249-T378 HydrophobicContact CD1-CG2 4.44Å; I249-F383 HydrophobicContact CD1-CB 3.81Å; I249-F383 HydrophobicContact CD1-CD2 4.19Å; I249-F383 HydrophobicContact CD1-CG 3.99Å; I249-F383 HydrophobicContact CG2-CD1 3.77Å; I249-F383 HydrophobicContact CG2-CE1 4.03Å; I249-F383 HydrophobicContact CG2-CG 4.06Å; I249-W386 HydrophobicContact CB-CZ3 4.46Å; I249-W386 HydrophobicContact CD1-CZ3 4.27Å; I249-W386 HydrophobicContact CG1-CZ3 4.05Å; I249-W386 HydrophobicContact CG2-CE3 4.17Å; I249-W386 HydrophobicContact CG2-CH2 4.25Å; I249-W386 HydrophobicContact CG2-CZ3 3.79Å; I249-I387 HydrophobicContact CD1-CD1 4.18Å; I249-I387 HydrophobicContact CD1-CG1 4.5Å
250A98.1Very high94.7Very high0 Ų051.8 Ų51.80%023%0.232CC..EExtended strand (participates in β ladder)trans-139.9146.9176.700000111.4T183 F188 Y235 I236T183-A250 HydrophobicContact CG2-CB 4.16Å; T183-A250 PolarHBondContact N-O 3.09Å; T183-A250 PolarHBondContact O-N 3.37Å; F188-A250 HydrophobicContact CD2-CB 3.97Å; F188-A250 HydrophobicContact CE2-CB 3.62Å; Y235-A250 CarbonylContact O-C 3.54Å; Y235-A250 WeakPolarHBondContact O-CA 3.37Å; I236-A250 HydrophobicContact CG1-CB 4.38Å
251V98.1Very high94.6Very high2 Ų251 Ų511%0.01223%0.231CC..EExtended strand (participates in β ladder)trans-110123.1171.2174.80000108.5Y180 V181 L182 Y235 W386 K390Y180-V251 HydrophobicContact CD1-CG1 4.03Å; V181-V251 WeakPolarHBondContact O-CA 3.3Å; L182-V251 HydrophobicContact CD1-CG2 3.62Å; Y235-V251 PolarHBondContact N-O 3.14Å; Y235-V251 PolarHBondContact O-N 3.17Å; V251-W386 HydrophobicContact CB-CH2 4.38Å; V251-W386 HydrophobicContact CG2-CH2 3.82Å; V251-W386 HydrophobicContact CG2-CZ3 3.67Å; V251-K390 HydrophobicContact CB-CB 4.46Å; V251-K390 HydrophobicContact CG1-CB 4.37Å
252I98.1Very high94.6Very high0 Ų050.8 Ų50.80%022%0.224CC..EExtended strand (participates in β ladder)trans-91.2127.9167.2-64.1171.5000108.1V156 Y180 V181 T183 F188 V210 V231 T254V156-I252 HydrophobicContact CG1-CD1 4.16Å; V156-I252 HydrophobicContact CG2-CD1 3.95Å; Y180-I252 WeakPolarHBondContact CA-O 3.06Å; V181-I252 HydrophobicContact CB-CB 4.15Å; V181-I252 HydrophobicContact CG1-CD1 4.33Å; V181-I252 PolarHBondContact N-O 3.17Å; V181-I252 PolarHBondContact O-N 3.14Å; T183-I252 HydrophobicContact CG2-CD1 4.03Å; T183-I252 HydrophobicContact CG2-CG1 4.25Å; F188-I252 HydrophobicContact CE1-CG1 4.4Å; F188-I252 HydrophobicContact CE2-CG1 4.41Å; F188-I252 HydrophobicContact CZ-CD1 3.77Å; F188-I252 HydrophobicContact CZ-CG1 3.56Å; V210-I252 HydrophobicContact CG2-CD1 3.83Å; V210-I252 HydrophobicContact CG2-CG2 4.07Å; V231-I252 HydrophobicContact CB-CG2 4.36Å; V231-I252 HydrophobicContact CG1-CG2 4.03Å; V231-I252 HydrophobicContact CG2-CG2 3.71Å; I252-T254 HydrophobicContact CG2-CG2 4.12Å
253K97.9Very high95Very high64 Ų6450.5 Ų50.528%0.27822%0.216SC..EExtended strand (participates in β ladder)trans-104.3114.3164.7-171.6171.3-175166.30108.7H179 Y180 G232 K233 Y235 K391H179-K253 HydrophobicContact CB-CG 4.32Å; H179-K253 WeakPolarHBondContact O-CA 3.22Å; Y180-K253 HydrophobicContact CE1-CD 4.04Å; Y180-K253 HydrophobicContact CE1-CG 4.11Å; G232-K253 WeakPolarHBondContact CA-O 3.49Å; G232-K253 PolarHBondContact N-O 2.88Å; K233-K253 PolarHBondContact N-O 3.15Å; K233-K253 PolarHBondContact O-N 3.02Å; Y235-K253 HydrophobicContact CE2-CB 4.05Å; K253-K391 PolarHBondContact NZ-OXT 2.77Å
254T97.9Very high95.5Very high4 Ų439 Ų393%0.02517%0.173CC..EExtended strand (participates in β ladder)trans-80.2152.5-179.656.20000112.2H179 R229 K230 I252 R256 F258H179-T254 PolarHBondContact ND1-O 2.95Å; H179-T254 PolarHBondContact O-N 2.76Å; H179-T254 PolarHBondContact O-OG1 3.3Å; R229-T254 HydrophobicContact CB-CG2 3.71Å; R229-T254 HydrophobicContact CG-CG2 4.44Å; K230-T254 WeakPolarHBondContact O-CA 3.32Å; I252-T254 HydrophobicContact CG2-CG2 4.12Å; T254-R256 VanDerWaalsContact C-N 3.32Å; T254-R256 VanDerWaalsContact CB-O 3.3Å; T254-R256 WeakPolarHBondContact CB-O 3.12Å; T254-R256 PolarHBondContact O-N 2.99Å; T254-R256 PolarHBondContact OG1-O 3.14Å; T254-F258 HydrophobicContact CG2-CE2 3.81Å; T254-F258 HydrophobicContact CG2-CZ 4.35Å
255Q97.5Very high96Very high123 Ų12334.6 Ų34.658%0.57515%0.154SC*.EExtended strand (participates in β ladder)trans-64.8-35.6177.5-66.4-177.9-14.700112.6K230K230-Q255 HydrophobicContact CB-CG 4.35Å; K230-Q255 PolarHBondContact O-N 2.91Å
256R97.1Very high96.3Very high188 Ų18830.7 Ų30.771%0.70914%0.139SC*.EExtended strand (participates in β ladder)trans-121.6147.1174.2-68.4-174.9-179.1-176.1-0.5109.5R229 T254R229-R256 VanDerWaalsContact CD-O 3.31Å; R229-R256 WeakPolarHBondContact CD-O 3.25Å; T254-R256 VanDerWaalsContact C-N 3.32Å; T254-R256 VanDerWaalsContact CB-O 3.3Å; T254-R256 WeakPolarHBondContact CB-O 3.12Å; T254-R256 PolarHBondContact O-N 2.99Å; T254-R256 PolarHBondContact OG1-O 3.14Å
257P96.2Very high96.4Very high24 Ų2429 Ų2916%0.15613%0.131CC..EExtended strand (participates in β ladder)trans-71.9154.1-179.930.6-33.9000111.5H177 S178 H179 R229 E259H177-P257 HydrophobicContact CB-CB 4.04Å; S178-P257 CarbonylContact O-C 3.47Å; S178-P257 WeakPolarHBondContact O-CA 3.11Å; H179-P257 VanDerWaalsContact CE1-CD 3.42Å; H179-P257 WeakPolarHBondContact CE1-CD 3.44Å; R229-P257 VanDerWaalsContact CZ-O 3.25Å; R229-P257 PolarHBondContact NE-O 3.41Å; R229-P257 PolarHBondContact NH2-O 2.81Å; P257-E259 WeakPolarHBondContact CG-OE1 3.49Å
258F96.8Very high96.4Very high0 Ų027.7 Ų27.70%013%0.125CC..EExtended strand (participates in β ladder)trans-73.2121.7157.9-67.5-76.9000108.6I168 H177 S178 V181 V210 A212 Q227 R229 T254 V264I168-F258 HydrophobicContact CD1-CB 4.16Å; I168-F258 HydrophobicContact CD1-CD1 4.14Å; I168-F258 HydrophobicContact CD1-CD2 4.13Å; I168-F258 HydrophobicContact CD1-CG 3.87Å; I168-F258 HydrophobicContact CG1-CD2 4.13Å; I168-F258 HydrophobicContact CG1-CE2 4.42Å; I168-F258 HydrophobicContact CG1-CG 4.38Å; H177-F258 CarbonylContact C-O 3.48Å; H177-F258 WeakPolarHBondContact CA-O 3.14Å; H177-F258 VanDerWaalsContact CB-O 3.32Å; H177-F258 WeakPolarHBondContact CB-O 3.5Å; S178-F258 PolarHBondContact N-O 2.82Å; S178-F258 PolarHBondContact O-N 3.02Å; V181-F258 HydrophobicContact CG2-CD2 4.37Å; V181-F258 HydrophobicContact CG2-CE2 3.71Å; V181-F258 HydrophobicContact CG2-CZ 4.49Å; V210-F258 HydrophobicContact CB-CZ 3.96Å; V210-F258 HydrophobicContact CG1-CE2 4.3Å; V210-F258 HydrophobicContact CG1-CZ 3.7Å; A212-F258 HydrophobicContact CB-CD1 3.62Å; A212-F258 HydrophobicContact CB-CE1 3.43Å; A212-F258 VanDerWaalsContact CB-CE1 3.43Å; A212-F258 HydrophobicContact CB-CZ 4.32Å; Q227-F258 HydrophobicContact CB-CD1 3.89Å; Q227-F258 HydrophobicContact CB-CE1 4.19Å; R229-F258 HydrophobicContact CB-CE1 4.19Å; R229-F258 HydrophobicContact CB-CE2 4.37Å; R229-F258 HydrophobicContact CB-CZ 3.84Å; R229-F258 HydrophobicContact CG-CD1 3.9Å; R229-F258 HydrophobicContact CG-CD2 4.43Å; R229-F258 HydrophobicContact CG-CE1 3.46Å; R229-F258 VanDerWaalsContact CG-CE1 3.46Å; R229-F258 HydrophobicContact CG-CE2 4.05Å; R229-F258 HydrophobicContact CG-CG 4.37Å; R229-F258 HydrophobicContact CG-CZ 3.55Å; T254-F258 HydrophobicContact CG2-CE2 3.81Å; T254-F258 HydrophobicContact CG2-CZ 4.35Å; F258-V264 HydrophobicContact CB-CG1 4.01Å; F258-V264 HydrophobicContact CD1-CG1 4.32Å
259E94.7Very high96.4Very high90 Ų9028.9 Ų28.942%0.42113%0.131SC..EExtended strand (participates in β ladder)trans-82.5130.1174.8-60.5-59.4154.600108.6Q227 P257Q227-E259 PolarHBondContact NE2-O 3.21Å; P257-E259 WeakPolarHBondContact CG-OE1 3.49Å
260F94.5Very high96.3Very high3 Ų329 Ų291%0.01313%0.132CC..PPolyproline II helixtrans-78.2134.3-177.3-64.1-9.6000111.4P115 V119 I168 A170 A175 N176 V264P115-F260 WeakPolarHBondContact CB-O 3.13Å; V119-F260 HydrophobicContact CB-CB 4.14Å; V119-F260 HydrophobicContact CB-CD2 4.14Å; V119-F260 HydrophobicContact CG1-CB 4.49Å; V119-F260 HydrophobicContact CG1-CD2 4.41Å; V119-F260 HydrophobicContact CG2-CB 3.95Å; I168-F260 HydrophobicContact CG2-CE1 3.9Å; I168-F260 HydrophobicContact CG2-CZ 4.26Å; A170-F260 HydrophobicContact CB-CE2 4.34Å; A170-F260 HydrophobicContact CB-CZ 4.21Å; A175-F260 HydrophobicContact CB-CE2 4.05Å; A175-F260 WeakPolarHBondContact O-CD2 3.47Å; N176-F260 VanDerWaalsContact O-CB 3.3Å; N176-F260 WeakPolarHBondContact O-CB 3.34Å; N176-F260 PolarHBondContact O-N 2.75Å; F260-V264 CarbonylContact C-O 3.56Å; F260-V264 WeakPolarHBondContact CA-O 3.11Å
261T92.6Very high96.2Very high18 Ų1834.8 Ų34.811%0.1116%0.163CC..  trans-142.7-175.1-178.364.50000108.8Y263 V264T261-Y263 PolarHBondContact O-N 3.41Å; T261-Y263 PolarHBondContact OG1-N 2.71Å; T261-Y263 VanDerWaalsContact OG1-N 3.14Å; T261-V264 PolarHBondContact N-O 2.95Å; T261-V264 PolarHBondContact OG1-N 2.8Å
262N91.8Very high96Very high32 Ų3240 Ų4017%0.17119%0.185CC..SBendtrans-61.5-20.2170.2-64-11.6000113Y125 F126Y125-N262 HydrophobicContact CD1-CB 4.08Å; Y125-N262 HydrophobicContact CG-CB 3.93Å; F126-N262 HydrophobicContact CE2-CB 4.17Å
263Y94.1Very high95.8Very high27 Ų2745.2 Ų45.211%0.10621%0.213CC..SBendtrans-103-20.8-173.6-60.5-80.3000114.2E111 F126 Y148 P151 G213 H225 T261E111-Y263 PolarHBondContact OE2-OH 2.76Å; F126-Y263 AromaticContact CE2-CD1 3.93Å; F126-Y263 HydrophobicContact CE2-CD1 3.93Å; F126-Y263 AromaticContact CE2-CE1 3.68Å; F126-Y263 HydrophobicContact CE2-CE1 3.68Å; F126-Y263 AromaticContact CZ-CE1 3.93Å; F126-Y263 HydrophobicContact CZ-CE1 3.93Å; Y148-Y263 AromaticContact CD1-CD1 3.76Å; Y148-Y263 HydrophobicContact CD1-CD1 3.76Å; Y148-Y263 HydrophobicContact CD1-CE1 4.26Å; Y148-Y263 AromaticContact CD2-CD1 3.78Å; Y148-Y263 HydrophobicContact CD2-CD1 3.78Å; Y148-Y263 AromaticContact CD2-CE1 3.49Å; Y148-Y263 HydrophobicContact CD2-CE1 3.49Å; Y148-Y263 VanDerWaalsContact CD2-CE1 3.49Å; Y148-Y263 HydrophobicContact CE1-CD1 4.39Å; Y148-Y263 HydrophobicContact CE2-CD1 4.37Å; Y148-Y263 AromaticContact CE2-CE1 3.9Å; Y148-Y263 HydrophobicContact CE2-CE1 3.9Å; Y148-Y263 AromaticContact CG-CD1 3.42Å; Y148-Y263 HydrophobicContact CG-CD1 3.42Å; Y148-Y263 VanDerWaalsContact CG-CD1 3.42Å; Y148-Y263 AromaticContact CG-CE1 3.68Å; Y148-Y263 HydrophobicContact CG-CE1 3.68Å; P151-Y263 WeakPolarHBondContact CA-O 3.32Å; G213-Y263 WeakPolarHBondContact CA-O 3.38Å; H225-Y263 HydrophobicContact CB-CD1 4.41Å; H225-Y263 HydrophobicContact CB-CD2 3.51Å; H225-Y263 HydrophobicContact CB-CE2 4Å; H225-Y263 HydrophobicContact CB-CG 3.75Å; H225-Y263 AromaticContact CG-CD1 3.95Å; H225-Y263 AromaticContact CG-CD2 3.92Å; H225-Y263 AromaticContact CG-CG 3.78Å; T261-Y263 PolarHBondContact O-N 3.41Å; T261-Y263 PolarHBondContact OG1-N 2.71Å; T261-Y263 VanDerWaalsContact OG1-N 3.14Å
264V96Very high95.7Very high0 Ų044.4 Ų44.40%021%0.21CC..  trans-137.8120.9-172.8-179.40000108.1P151 I168 A212 Q227 F258 F260 T261P151-V264 WeakPolarHBondContact O-CA 3.01Å; I168-V264 HydrophobicContact CD1-CG1 3.59Å; A212-V264 HydrophobicContact CB-CG1 4.08Å; A212-V264 HydrophobicContact CB-CG2 4.08Å; Q227-V264 HydrophobicContact CG-CG2 4.32Å; F258-V264 HydrophobicContact CB-CG1 4.01Å; F258-V264 HydrophobicContact CD1-CG1 4.32Å; F260-V264 CarbonylContact C-O 3.56Å; F260-V264 WeakPolarHBondContact CA-O 3.11Å; T261-V264 PolarHBondContact N-O 2.95Å; T261-V264 PolarHBondContact OG1-N 2.8Å
265S95.8Very high95.5Very high3 Ų348.8 Ų48.82%0.02124%0.237CC..  trans-158.1-179.3175.2710000109.5P151 W152P151-S265 CarbonylContact C-O 3.56Å; P151-S265 WeakPolarHBondContact CB-OG 3.31Å; P151-S265 WeakPolarHBondContact CG-OG 3.42Å; P151-S265 PolarHBondContact O-N 3.37Å; P151-S265 VanDerWaalsContact O-O 3.12Å; W152-S265 WeakPolarHBondContact CA-O 3.42Å; W152-S265 PolarHBondContact N-O 3Å
266S97.2Very high95.3Very high2 Ų244.5 Ų44.51%0.01422%0.218CC..PPolyproline II helixtrans-100152.2-178.852.20000112.1C121 G122 I168 A170C121-S266 CarbonylContact C-O 3.58Å; C121-S266 WeakPolarHBondContact CA-O 3.1Å; G122-S266 PolarHBondContact N-O 3.03Å; I168-S266 VanDerWaalsContact O-CA 3.23Å; I168-S266 WeakPolarHBondContact O-CA 3.39Å; I168-S266 WeakPolarHBondContact O-CB 3.18Å; A170-S266 VanDerWaalsContact CB-OG 3.27Å; A170-S266 WeakPolarHBondContact CB-OG 3.48Å
267A97.7Very high95.2Very high0 Ų039.5 Ų39.50%021%0.21CC..BIsolated β-bridgetrans-77.6152.6159.500000109.3W152 T167 I168 V348 L358W152-A267 HydrophobicContact CB-CB 4.02Å; W152-A267 HydrophobicContact CD2-CB 4.06Å; W152-A267 HydrophobicContact CE3-CB 4.4Å; W152-A267 HydrophobicContact CG-CB 3.86Å; T167-A267 HydrophobicContact CG2-CB 3.66Å; I168-A267 PolarHBondContact O-N 3.21Å; A267-V348 HydrophobicContact CB-CG1 4.26Å; A267-L358 HydrophobicContact CB-CB 4.2Å
268C97.4Very high95.2Very high2 Ų242.9 Ų42.91%0.01423%0.23CC..BIsolated β-bridgetrans-71.7148.1170.9-63.60000110.4C121 W356 Y357 L358C121-C268 HydrophobicContact CB-CB 4.05Å; C121-C268 WeakPolarHBondContact CB-SG 3.29Å; C121-C268 PolarHBondContact O-SG 2.83Å; C121-C268 WeakPolarHBondContact SG-CA 3.43Å; C121-C268 WeakPolarHBondContact SG-CB 3.5Å; C121-C268 CovalentContact SG-SG 2.05Å; C121-C268 PolarHBondContact SG-SG 2.86Å; C268-W356 PolarHBondContact N-O 3.16Å; C268-Y357 HydrophobicContact CB-CD1 3.44Å; C268-Y357 VanDerWaalsContact CB-CD1 3.44Å; C268-Y357 HydrophobicContact CB-CD2 4.24Å; C268-Y357 HydrophobicContact CB-CE1 3.52Å; C268-Y357 HydrophobicContact CB-CE2 4.31Å; C268-Y357 HydrophobicContact CB-CG 3.83Å; C268-Y357 CarbonylContact O-C 3.58Å; C268-Y357 WeakPolarHBondContact O-CA 3.45Å; C268-L358 PolarHBondContact O-N 2.96Å
269L97Very high95Very high25 Ų2545 Ų4513%0.13125%0.251CS..PPolyproline II helixtrans-87.5143169.9-70171.5000109.3I169 L171 Y357 V380 M384 I387I169-L269 HydrophobicContact CB-CD1 4.5Å; I169-L269 HydrophobicContact CB-CD2 4.13Å; I169-L269 HydrophobicContact CB-CG 4.36Å; I169-L269 HydrophobicContact CD1-CD1 4.47Å; I169-L269 HydrophobicContact CD1-CD2 4.42Å; I169-L269 HydrophobicContact CG2-CD2 3.8Å; I169-L269 HydrophobicContact CG2-CG 4.47Å; L171-L269 HydrophobicContact CD2-CD1 4.26Å; L269-Y357 WeakPolarHBondContact O-CD1 3.4Å; L269-V380 HydrophobicContact CD2-CG1 4.25Å; L269-M384 HydrophobicContact CB-CE 3.8Å; L269-M384 HydrophobicContact CB-SD 4.15Å; L269-M384 HydrophobicContact CD1-CE 4.07Å; L269-M384 HydrophobicContact CD2-SD 4.43Å; L269-M384 HydrophobicContact CG-CE 4.45Å; L269-I387 HydrophobicContact CD1-CG2 4.37Å
270P96.1Very high94.9Very high2 Ų243.5 Ų43.51%0.01325%0.246CC..PPolyproline II helixtrans-72.9165177.932.6-36.1000111L358 V380 A381 M384P270-L358 WeakPolarHBondContact CD-O 3.41Å; P270-L358 WeakPolarHBondContact CG-O 3.37Å; P270-V380 HydrophobicContact CG-CB 4.14Å; P270-V380 HydrophobicContact CG-CG1 3.91Å; P270-A381 HydrophobicContact CB-CB 4.36Å; P270-A381 HydrophobicContact CG-CB 4.08Å; P270-M384 HydrophobicContact CG-SD 4.45Å; P270-M384 WeakPolarHBondContact O-CE 3.29Å
271D95Very high94.9Very high121 Ų12149 Ų4965%0.64727%0.266SS*.PPolyproline II helixtrans-67.6151.1170.5-74.6-32.3000111N273 Q274 A381D271-N273 PolarHBondContact O-N 2.76Å; D271-Q274 HydrophobicContact CB-CB 4.18Å; D271-Q274 VanDerWaalsContact N-OE1 3.16Å; D271-Q274 VanDerWaalsContact O-CB 3.26Å; D271-Q274 WeakPolarHBondContact O-CB 3.39Å; D271-Q274 PolarHBondContact O-N 2.87Å; D271-Q274 VanDerWaalsContact O-N 3.11Å; D271-A381 WeakPolarHBondContact O-CB 3.26Å
272K95.8Very high95Very high111 Ų11148.1 Ų48.148%0.48326%0.261SS..THydrogen-bonded Turntrans-57.6129.7178.5178.9180177.2170.60110Q274 M384 D385K272-Q274 PolarHBondContact O-N 3.22Å; K272-Q274 VanDerWaalsContact O-N 3.16Å; K272-M384 HydrophobicContact CB-CB 4.15Å; K272-M384 HydrophobicContact CG-CB 4.4Å; K272-D385 WeakPolarHBondContact CD-OD1 3.28Å; K272-D385 VanDerWaalsContact CE-OD1 3.26Å; K272-D385 WeakPolarHBondContact CE-OD1 3.29Å; K272-D385 VanDerWaalsContact CE-OD2 3.23Å; K272-D385 WeakPolarHBondContact CE-OD2 3.18Å; K272-D385 IonicContact NZ-OD1 2.77Å; K272-D385 PolarHBondContact NZ-OD1 2.98Å; K272-D385 IonicContact NZ-OD2 2.63Å; K272-D385 PolarHBondContact NZ-OD2 3.4Å
273N94Very high95.1Very high110 Ų11046.6 Ų46.659%0.58825%0.253SS*.THydrogen-bonded Turntrans5915.9-179.2-55.8-31.5000115.2D271 V275 A381D271-N273 PolarHBondContact O-N 2.76Å; N273-V275 PolarHBondContact O-N 3.03Å; N273-A381 PolarHBondContact N-O 3.22Å
274Q95.1Very high95.1Very high48 Ų4845.4 Ų45.422%0.22425%0.249CC..  trans-59.7131.8172.6-169.2-178.315.100110.6D271 K272 H359 A381D271-Q274 HydrophobicContact CB-CB 4.18Å; D271-Q274 VanDerWaalsContact N-OE1 3.16Å; D271-Q274 VanDerWaalsContact O-CB 3.26Å; D271-Q274 WeakPolarHBondContact O-CB 3.39Å; D271-Q274 PolarHBondContact O-N 2.87Å; D271-Q274 VanDerWaalsContact O-N 3.11Å; K272-Q274 PolarHBondContact O-N 3.22Å; K272-Q274 VanDerWaalsContact O-N 3.16Å; Q274-H359 PolarHBondContact OE1-CE1 2.53Å; Q274-A381 HydrophobicContact CB-CB 4.28Å; Q274-A381 WeakPolarHBondContact O-CB 3.42Å
275V93.3Very high95Very high95 Ų9545.5 Ų45.558%0.57625%0.249SC*.  trans-119.2126.2175.3-178.30000108N273N273-V275 PolarHBondContact O-N 3.03Å
276L93.4Very high94.8Very high33 Ų3345.5 Ų45.517%0.17325%0.25CC..PPolyproline II helixtrans-86.2144.8177.2-68.5-175.2000111.2I280 I307 C349 H359L276-I280 HydrophobicContact CB-CD1 4.33Å; L276-I280 HydrophobicContact CD2-CD1 4.49Å; L276-I307 HydrophobicContact CB-CD1 3.59Å; L276-I307 HydrophobicContact CD1-CD1 3.8Å; L276-I307 HydrophobicContact CG-CD1 4.35Å; L276-C349 HydrophobicContact CD1-CB 3.77Å; L276-C349 WeakPolarHBondContact CD1-SG 3.48Å; L276-H359 HydrophobicContact CD1-CB 4.14Å; L276-H359 VanDerWaalsContact CD1-CG 3.47Å
277P94.5Very high94.5Very high84 Ų8445.5 Ų45.555%0.54525%0.249SC..PPolyproline II helixtrans-54.3143.7171-26.830.4000114I280P277-I280 HydrophobicContact CB-CD1 4.01Å; P277-I280 HydrophobicContact CB-CG1 4.16Å; P277-I280 HydrophobicContact CG-CD1 3.88Å; P277-I280 PolarHBondContact O-N 3.21Å
278V95.8Very high93.6Very high95 Ų9545.7 Ų45.758%0.57625%0.251SS*.THydrogen-bonded Turntrans-60.1139.8169.6174.60000109.5I307V278-I307 WeakPolarHBondContact CG1-O 3.42Å
279G93.6Very high92.4Very high44 Ų4448.1 Ų48.145%0.45426%0.262SS..THydrogen-bonded Turntrans92.3-16179.900000114.8R281 I307G279-R281 PolarHBondContact O-N 3.08Å; G279-I307 PolarHBondContact N-O 3.02Å
280I93.3Very high90.6Very high59 Ų5949.3 Ų49.330%0.30327%0.271SS..  trans-57.6129.2171.1-69-174.3000109L276 P277 P306 I307L276-I280 HydrophobicContact CB-CD1 4.33Å; L276-I280 HydrophobicContact CD2-CD1 4.49Å; P277-I280 HydrophobicContact CB-CD1 4.01Å; P277-I280 HydrophobicContact CB-CG1 4.16Å; P277-I280 HydrophobicContact CG-CD1 3.88Å; P277-I280 PolarHBondContact O-N 3.21Å; I280-P306 CarbonylContact O-C 3.59Å; I280-P306 WeakPolarHBondContact O-CA 3.42Å; I280-I307 HydrophobicContact CB-CD1 4.39Å; I280-I307 PolarHBondContact O-N 3.08Å
281R92.6Very high88.4Confident117 Ų11750.3 Ų50.344%0.44228%0.278SS..EExtended strand (participates in β ladder)trans-90120.8177.6-71.6-179.9172.4165-2.3109.6G279 L305 P306G279-R281 PolarHBondContact O-N 3.08Å; R281-L305 WeakPolarHBondContact CA-O 3.09Å; R281-P306 HydrophobicContact CG-CB 4.28Å
282C95Very high86.7Confident0 Ų048.3 Ų48.30%027%0.265CS..EExtended strand (participates in β ladder)trans-115.7153.9175.8-52.40000110.1Y304 L305 F347 V348 C349C282-Y304 WeakPolarHBondContact O-CA 3.18Å; C282-L305 PolarHBondContact N-O 2.79Å; C282-L305 PolarHBondContact O-N 3.17Å; C282-F347 HydrophobicContact CB-CD1 3.83Å; C282-F347 HydrophobicContact CB-CD2 4.24Å; C282-F347 HydrophobicContact CB-CE1 3.38Å; C282-F347 HydrophobicContact CB-CE2 3.78Å; C282-F347 HydrophobicContact CB-CG 4.24Å; C282-F347 HydrophobicContact CB-CZ 3.34Å; C282-F347 WeakPolarHBondContact SG-CE1 3.32Å; C282-V348 CarbonylContact C-O 3.49Å; C282-V348 WeakPolarHBondContact CA-O 3.47Å; C282-V348 VanDerWaalsContact CB-O 3.3Å; C282-V348 WeakPolarHBondContact CB-O 3.36Å; C282-C349 HydrophobicContact CB-CB 3.97Å; C282-C349 WeakPolarHBondContact CB-SG 3.46Å; C282-C349 WeakPolarHBondContact SG-CB 3.35Å; C282-C349 CovalentContact SG-SG 2.03Å; C282-C349 PolarHBondContact SG-SG 2.84Å
283L94.3Very high85Confident0 Ų049.5 Ų49.50%028%0.282CS..EExtended strand (participates in β ladder)trans-88.8129.1-177.6-171.763.7000110.4P128 L150 Q302 Y304 V348 W356P128-L283 HydrophobicContact CB-CD2 4.11Å; L150-L283 HydrophobicContact CD2-CD2 3.57Å; L283-Q302 HydrophobicContact CD1-CB 3.74Å; L283-Q302 HydrophobicContact CD1-CG 4.17Å; L283-Q302 HydrophobicContact CG-CB 4.39Å; L283-Y304 HydrophobicContact CB-CD1 4.17Å; L283-Y304 HydrophobicContact CB-CE1 3.88Å; L283-Y304 HydrophobicContact CD1-CD1 4.16Å; L283-Y304 HydrophobicContact CD1-CD2 3.87Å; L283-Y304 HydrophobicContact CD1-CE1 3.98Å; L283-Y304 HydrophobicContact CD1-CE2 3.67Å; L283-Y304 HydrophobicContact CD1-CG 4.11Å; L283-Y304 HydrophobicContact CG-CE1 4.44Å; L283-V348 HydrophobicContact CB-CG2 4Å; L283-V348 PolarHBondContact N-O 2.77Å; L283-V348 PolarHBondContact O-N 2.67Å; L283-W356 HydrophobicContact CB-CE3 4.46Å; L283-W356 HydrophobicContact CB-CH2 4.09Å; L283-W356 HydrophobicContact CB-CZ3 3.62Å; L283-W356 HydrophobicContact CD2-CH2 4.07Å; L283-W356 HydrophobicContact CD2-CZ3 4.18Å
284V93.9Very high83.3Confident3 Ų345 Ų452%0.01826%0.261CS..EExtended strand (participates in β ladder)trans-112.3139.9169.7-1740000108.5Q302 V303 L305 P346 F347 V362 Y377V284-Q302 CarbonylContact O-C 3.56Å; V284-Q302 VanDerWaalsContact O-CA 3.24Å; V284-Q302 WeakPolarHBondContact O-CA 3.33Å; V284-V303 HydrophobicContact CB-CG1 4.15Å; V284-V303 PolarHBondContact N-O 3.06Å; V284-V303 PolarHBondContact O-N 2.88Å; V284-L305 HydrophobicContact CG2-CD1 3.95Å; V284-L305 HydrophobicContact CG2-CG 4.4Å; V284-P346 WeakPolarHBondContact CA-O 3.42Å; V284-F347 HydrophobicContact CG2-CB 4.42Å; V284-F347 HydrophobicContact CG2-CD2 3.36Å; V284-F347 HydrophobicContact CG2-CE2 4.01Å; V284-F347 HydrophobicContact CG2-CG 4.3Å; V284-V362 HydrophobicContact CG1-CG2 3.98Å; V284-Y377 HydrophobicContact CG1-CE1 4.4Å; V284-Y377 HydrophobicContact CG2-CE1 3.98Å
285S93.3Very high81.8Confident2 Ų248.1 Ų48.11%0.01428%0.284CS..EExtended strand (participates in β ladder)trans-143.8147.7-178.962.40000112.8K301 P346S285-K301 WeakPolarHBondContact CA-O 3.19Å; S285-K301 WeakPolarHBondContact CB-O 3.4Å; S285-P346 VanDerWaalsContact OG-CG 3.32Å; S285-P346 WeakPolarHBondContact OG-CG 3.4Å
286G93.1Very high80.4Confident3 Ų345.6 Ų45.63%0.03128%0.276CS..EExtended strand (participates in β ladder)trans177.1-178.5174.900000114.2K301 D342G286-K301 PolarHBondContact N-O 2.03Å; G286-K301 VanDerWaalsContact N-O 3.14Å; G286-K301 PolarHBondContact O-N 2.97Å; G286-D342 VanDerWaalsContact C-OD1 3.25Å; G286-D342 WeakPolarHBondContact CA-OD1 3.3Å
287W90.7Very high79.8Confident1 Ų145.4 Ų45.40%0.00428%0.277CS..SBendtrans-10814.8178.5-65.2-84.5000111.8M153 H162 V214 H215 L217 G296 V297 D298 L300 D342M153-W287 HydrophobicContact CE-CE3 3.75Å; M153-W287 HydrophobicContact CE-CH2 4.35Å; M153-W287 HydrophobicContact CE-CZ3 3.42Å; M153-W287 VanDerWaalsContact CE-CZ3 3.42Å; M153-W287 HydrophobicContact CG-CH2 3.61Å; M153-W287 HydrophobicContact CG-CZ3 3.64Å; M153-W287 HydrophobicContact SD-CZ3 4.39Å; H162-W287 AromaticContact CE1-CE3 3.82Å; V214-W287 HydrophobicContact CG2-CH2 4.2Å; V214-W287 HydrophobicContact CG2-CZ2 3.99Å; V214-W287 WeakPolarHBondContact O-CZ2 3.39Å; H215-W287 PolarHBondContact O-NE1 2.74Å; L217-W287 HydrophobicContact CD1-CB 3.61Å; L217-W287 HydrophobicContact CD1-CD2 3.91Å; L217-W287 HydrophobicContact CD1-CG 3.47Å; L217-W287 VanDerWaalsContact CD1-CG 3.47Å; L217-W287 HydrophobicContact CD2-CD2 3.95Å; L217-W287 HydrophobicContact CD2-CE3 4.29Å; L217-W287 HydrophobicContact CD2-CG 4.35Å; L217-W287 HydrophobicContact CD2-CH2 4.48Å; L217-W287 HydrophobicContact CD2-CZ2 4.16Å; L217-W287 HydrophobicContact CG-CB 4.45Å; L217-W287 HydrophobicContact CG-CD2 3.9Å; L217-W287 HydrophobicContact CG-CG 3.78Å; W287-G296 WeakPolarHBondContact O-CA 3.45Å; W287-V297 PolarHBondContact O-N 3.46Å; W287-D298 VanDerWaalsContact CD1-O 3.27Å; W287-D298 PolarHBondContact NE1-O 3.16Å; W287-L300 HydrophobicContact CD2-CD1 3.87Å; W287-L300 HydrophobicContact CE3-CD1 4.14Å; W287-L300 HydrophobicContact CG-CD1 4.47Å; W287-L300 HydrophobicContact CH2-CD1 4.07Å; W287-L300 HydrophobicContact CZ2-CB 4.06Å; W287-L300 HydrophobicContact CZ2-CD1 3.79Å; W287-L300 HydrophobicContact CZ2-CD2 4.28Å; W287-L300 HydrophobicContact CZ2-CG 4.27Å; W287-L300 HydrophobicContact CZ3-CD1 4.24Å; W287-D342 PolarHBondContact N-OD1 3.18Å
288G79.3Confident79.4Confident4 Ų443.6 Ų43.64%0.04126%0.263CS..  trans-67.4-175.1179.800000113.7Q340 D342G288-Q340 CarbonylContact C-O 3.55Å; G288-Q340 WeakPolarHBondContact CA-O 3.19Å; G288-D342 VanDerWaalsContact CA-OD1 3.25Å; G288-D342 WeakPolarHBondContact CA-OD1 3.37Å; G288-D342 PolarHBondContact N-OD1 3.46Å
289H70.8Confident79.1Confident53 Ų5345.1 Ų45.125%0.24526%0.258CS..  trans-70.8134.1-172.1-64.3-168.1000111S291 G294 G296 C339 Q340H289-S291 WeakPolarHBondContact CB-O 3.3Å; H289-S291 PolarHBondContact O-N 2.72Å; H289-G294 PolarHBondContact CE1-O 3.49Å; H289-G294 PolarHBondContact ND1-O 2.99Å; H289-G296 PolarHBondContact CD2-N 2.83Å; H289-C339 HydrophobicContact CB-CB 4.42Å; H289-C339 WeakPolarHBondContact O-CB 3.35Å; H289-Q340 HydrophobicContact CB-CB 4.49Å; H289-Q340 PolarHBondContact CD2-O 3.01Å; H289-Q340 VanDerWaalsContact CD2-O 3.3Å; H289-Q340 PolarHBondContact N-O 3.03Å
290T59.6Low79Confident50 Ų5043.2 Ų43.231%0.30724%0.237SC..SBendtrans-85.814.1171.553.80000112.8R141 V297 K301R141-T290 WeakPolarHBondContact CD-O 3.39Å; R141-T290 PolarHBondContact NH1-O 3.06Å; T290-V297 HydrophobicContact CG2-CG1 3.48Å; T290-V297 VanDerWaalsContact CG2-CG1 3.48Å; T290-K301 HydrophobicContact CG2-CD 4.34Å; T290-K301 HydrophobicContact CG2-CG 4.44Å
291S49.9Very low78.9Confident24 Ų2443.2 Ų43.217%0.16824%0.235CC..SBendtrans-161.4153.9169.762.60000109.2R141 H289 T293 G294R141-S291 VanDerWaalsContact CZ-CA 3.48Å; R141-S291 VanDerWaalsContact NH1-CA 3.3Å; H289-S291 WeakPolarHBondContact CB-O 3.3Å; H289-S291 PolarHBondContact O-N 2.72Å; S291-T293 PolarHBondContact O-N 2.91Å; S291-T293 VanDerWaalsContact O-N 3.13Å; S291-G294 WeakPolarHBondContact O-CA 3.31Å; S291-G294 PolarHBondContact O-N 3.11Å; S291-G294 WeakPolarHBondContact OG-CA 3.29Å; S291-G294 PolarHBondContact OG-N 2.77Å
292E58.5Low78.8Confident79 Ų7937.8 Ų37.837%0.36922%0.215SC..THydrogen-bonded Turntrans-53.9-37.5178.6-163.1-179.6137.600112.6C368 R370E292-C368 HydrophobicContact CB-CB 4.44Å; E292-R370 VanDerWaalsContact CD-NH2 3.34Å; E292-R370 IonicContact OE1-CZ 2.86Å; E292-R370 IonicContact OE1-NE 3.26Å; E292-R370 IonicContact OE1-NH2 3.75Å; E292-R370 PolarHBondContact OE1-NH2 3.05Å; E292-R370 IonicContact OE2-CZ 3.46Å; E292-R370 IonicContact OE2-NE 3.94Å; E292-R370 PolarHBondContact OE2-NE 3.05Å; E292-R370 IonicContact OE2-NH2 2.72Å; E292-R370 PolarHBondContact OE2-NH2 3.27Å
293T60.2Low78.6Confident136 Ų13638.7 Ų38.783%0.83422%0.22SC*.THydrogen-bonded Turntrans-100.719.8175.660.70000113.3S291S291-T293 PolarHBondContact O-N 2.91Å; S291-T293 VanDerWaalsContact O-N 3.13Å
294G58.8Low78.4Confident16 Ų1639.5 Ų39.517%0.16522%0.223CC..  trans-81.3-175.7-172.800000113.5H289 S291H289-G294 PolarHBondContact CE1-O 3.49Å; H289-G294 PolarHBondContact ND1-O 2.99Å; S291-G294 WeakPolarHBondContact O-CA 3.31Å; S291-G294 PolarHBondContact O-N 3.11Å; S291-G294 WeakPolarHBondContact OG-CA 3.29Å; S291-G294 PolarHBondContact OG-N 2.77Å
295T63Low78.3Confident113 Ų11339.3 Ų39.369%0.69322%0.222SC*.  trans-108.8160161.958.40000109.1
296G65.8Low78.3Confident41 Ų4140.1 Ų40.142%0.42323%0.227SC..  trans-54.2157.1169.100000111.6W287 H289W287-G296 WeakPolarHBondContact O-CA 3.45Å; H289-G296 PolarHBondContact CD2-N 2.83Å
297V79.7Confident78.5Confident30 Ų3040.4 Ų40.418%0.18223%0.228CC..  trans-104.4144.8177.9-67.60000110.6W287 T290 R299 K301W287-V297 PolarHBondContact O-N 3.46Å; T290-V297 HydrophobicContact CG2-CG1 3.48Å; T290-V297 VanDerWaalsContact CG2-CG1 3.48Å; V297-R299 VanDerWaalsContact CG2-O 3.27Å; V297-R299 WeakPolarHBondContact CG2-O 3.39Å; V297-K301 HydrophobicContact CG2-CG 3.82Å
298D85.7Confident78.7Confident46 Ų4641.2 Ų41.225%0.24623%0.233CC..SBendtrans-69.3-40.3176.8176.259.9000112.1S216 L217 T218 W287S216-D298 VanDerWaalsContact CA-O 3.29Å; S216-D298 WeakPolarHBondContact CA-O 3.47Å; S216-D298 WeakPolarHBondContact CB-OD2 3.43Å; S216-D298 PolarHBondContact OG-OD1 3.07Å; S216-D298 PolarHBondContact OG-OD2 2.62Å; L217-D298 PolarHBondContact N-O 3.22Å; L217-D298 PolarHBondContact N-OD1 2.75Å; T218-D298 WeakPolarHBondContact CB-OD1 3.32Å; T218-D298 PolarHBondContact N-OD1 2.51Å; T218-D298 PolarHBondContact OG1-OD1 2.89Å; W287-D298 VanDerWaalsContact CD1-O 3.27Å; W287-D298 PolarHBondContact NE1-O 3.16Å
299R89.6Confident79.5Confident127 Ų12743.2 Ų43.248%0.47925%0.246SC..BIsolated β-bridgetrans-98.2137.7-175.3-60.3-169.6-178.9175.2-5.3111.7E144 H215 V297 K301E144-R299 VanDerWaalsContact CD-CD 3.43Å; E144-R299 HydrophobicContact CG-CB 4.2Å; E144-R299 WeakPolarHBondContact OE1-CD 3.3Å; E144-R299 IonicContact OE1-CZ 2.81Å; E144-R299 IonicContact OE1-NE 3.28Å; E144-R299 IonicContact OE1-NH1 2.63Å; E144-R299 PolarHBondContact OE1-NH1 3.27Å; E144-R299 WeakPolarHBondContact OE2-CD 2.93Å; E144-R299 IonicContact OE2-NH1 2.83Å; E144-R299 PolarHBondContact OE2-NH1 3.09Å; H215-R299 WeakPolarHBondContact O-CA 3.32Å; V297-R299 VanDerWaalsContact CG2-O 3.27Å; V297-R299 WeakPolarHBondContact CG2-O 3.39Å; R299-K301 PolarHBondContact O-N 2.77Å
300L92.1Very high80.7Confident4 Ų443.6 Ų43.62%0.02125%0.25CC..PPolyproline II helixtrans-59.4128.7-176.4-175.362000111A145 L150 M153 H215 W287A145-L300 HydrophobicContact CB-CB 4.45Å; A145-L300 HydrophobicContact CB-CD2 4.41Å; A145-L300 HydrophobicContact CB-CG 4.24Å; A145-L300 PolarHBondContact N-O 2.9Å; L150-L300 HydrophobicContact CB-CD2 4.02Å; L150-L300 HydrophobicContact CD1-CD2 3.76Å; L150-L300 HydrophobicContact CD1-CG 4.31Å; L150-L300 HydrophobicContact CG-CD2 4.34Å; M153-L300 HydrophobicContact CB-CD2 4.38Å; M153-L300 HydrophobicContact CG-CD1 3.95Å; M153-L300 HydrophobicContact CG-CD2 4.18Å; H215-L300 PolarHBondContact O-N 3.06Å; W287-L300 HydrophobicContact CD2-CD1 3.87Å; W287-L300 HydrophobicContact CE3-CD1 4.14Å; W287-L300 HydrophobicContact CG-CD1 4.47Å; W287-L300 HydrophobicContact CH2-CD1 4.07Å; W287-L300 HydrophobicContact CZ2-CB 4.06Å; W287-L300 HydrophobicContact CZ2-CD1 3.79Å; W287-L300 HydrophobicContact CZ2-CD2 4.28Å; W287-L300 HydrophobicContact CZ2-CG 4.27Å; W287-L300 HydrophobicContact CZ3-CD1 4.24Å
301K91.1Very high82.4Confident58 Ų5845.6 Ų45.625%0.25226%0.259SS..EExtended strand (participates in β ladder)trans-102.7156174.9-67.9-91.1-176.5163.30110.2S143 S285 G286 T290 V297 R299S143-K301 CarbonylContact O-C 3.53Å; S143-K301 VanDerWaalsContact O-CA 3.32Å; S143-K301 WeakPolarHBondContact O-CA 3.21Å; S285-K301 WeakPolarHBondContact CA-O 3.19Å; S285-K301 WeakPolarHBondContact CB-O 3.4Å; G286-K301 PolarHBondContact N-O 2.03Å; G286-K301 VanDerWaalsContact N-O 3.14Å; G286-K301 PolarHBondContact O-N 2.97Å; T290-K301 HydrophobicContact CG2-CD 4.34Å; T290-K301 HydrophobicContact CG2-CG 4.44Å; V297-K301 HydrophobicContact CG2-CG 3.82Å; R299-K301 PolarHBondContact O-N 2.77Å
302Q91Very high84.6Confident3 Ų346.9 Ų46.91%0.01426%0.26CS..EExtended strand (participates in β ladder)trans-140.5150.3172.570.5169.363.100111.9K129 T134 S143 A145 L150 L283 V284K129-Q302 PolarHBondContact O-NE2 2.89Å; T134-Q302 HydrophobicContact CG2-CG 4.4Å; S143-Q302 PolarHBondContact N-O 3.09Å; S143-Q302 PolarHBondContact O-N 2.66Å; A145-Q302 HydrophobicContact CB-CB 4.3Å; A145-Q302 HydrophobicContact CB-CG 4.12Å; L150-Q302 HydrophobicContact CD1-CB 4.28Å; L283-Q302 HydrophobicContact CD1-CB 3.74Å; L283-Q302 HydrophobicContact CD1-CG 4.17Å; L283-Q302 HydrophobicContact CG-CB 4.39Å; V284-Q302 CarbonylContact O-C 3.56Å; V284-Q302 VanDerWaalsContact O-CA 3.24Å; V284-Q302 WeakPolarHBondContact O-CA 3.33Å
303V89.1Confident86.4Confident19 Ų1943.1 Ų43.112%0.11524%0.243CC..EExtended strand (participates in β ladder)trans-150.7142175.565.20000111.3V284 L305 A336V284-V303 HydrophobicContact CB-CG1 4.15Å; V284-V303 PolarHBondContact N-O 3.06Å; V284-V303 PolarHBondContact O-N 2.88Å; V303-L305 HydrophobicContact CG1-CD1 4.43Å; V303-L305 HydrophobicContact CG1-CD2 4.28Å; V303-L305 HydrophobicContact CG1-CG 4.18Å; V303-L305 HydrophobicContact CG2-CD2 4.02Å; V303-A336 HydrophobicContact CG2-CB 3.91Å
304Y91.5Very high88Confident17 Ų1741.9 Ų41.97%0.06722%0.222CC..EExtended strand (participates in β ladder)trans-93.6125.2173.1-72.1-88.8000110.9K129 V131 T134 C282 L283 Y331 W356K129-Y304 VanDerWaalsContact O-CE2 3.27Å; K129-Y304 WeakPolarHBondContact O-CE2 3.32Å; K129-Y304 PolarHBondContact O-OH 3.42Å; V131-Y304 HydrophobicContact CB-CD2 4.38Å; V131-Y304 HydrophobicContact CG2-CD1 3.8Å; V131-Y304 HydrophobicContact CG2-CD2 3.9Å; V131-Y304 HydrophobicContact CG2-CE1 3.99Å; V131-Y304 HydrophobicContact CG2-CE2 4.08Å; V131-Y304 HydrophobicContact CG2-CG 3.75Å; T134-Y304 HydrophobicContact CG2-CD2 3.91Å; T134-Y304 HydrophobicContact CG2-CE2 3.88Å; C282-Y304 WeakPolarHBondContact O-CA 3.18Å; L283-Y304 HydrophobicContact CB-CD1 4.17Å; L283-Y304 HydrophobicContact CB-CE1 3.88Å; L283-Y304 HydrophobicContact CD1-CD1 4.16Å; L283-Y304 HydrophobicContact CD1-CD2 3.87Å; L283-Y304 HydrophobicContact CD1-CE1 3.98Å; L283-Y304 HydrophobicContact CD1-CE2 3.67Å; L283-Y304 HydrophobicContact CD1-CG 4.11Å; L283-Y304 HydrophobicContact CG-CE1 4.44Å; Y304-Y331 PolarHBondContact O-OH 3.34Å; Y304-W356 AromaticContact CE1-CH2 3.83Å; Y304-W356 HydrophobicContact CE1-CH2 3.83Å; Y304-W356 HydrophobicContact CE1-CZ3 4.3Å; Y304-W356 WeakPolarHBondContact OH-CH2 3.44Å
305L91.7Very high89.7Confident0 Ų050.4 Ų50.40%025%0.25CC..EExtended strand (participates in β ladder)trans-122133.5179.5-57178.9000109.9R281 C282 V284 V303 A329 Y331 A336 F347 Y377R281-L305 WeakPolarHBondContact CA-O 3.09Å; C282-L305 PolarHBondContact N-O 2.79Å; C282-L305 PolarHBondContact O-N 3.17Å; V284-L305 HydrophobicContact CG2-CD1 3.95Å; V284-L305 HydrophobicContact CG2-CG 4.4Å; V303-L305 HydrophobicContact CG1-CD1 4.43Å; V303-L305 HydrophobicContact CG1-CD2 4.28Å; V303-L305 HydrophobicContact CG1-CG 4.18Å; V303-L305 HydrophobicContact CG2-CD2 4.02Å; L305-A329 HydrophobicContact CB-CB 3.99Å; L305-Y331 HydrophobicContact CD2-CD2 4.29Å; L305-Y331 HydrophobicContact CD2-CE2 3.94Å; L305-A336 HydrophobicContact CD2-CB 3.82Å; L305-F347 HydrophobicContact CB-CE2 4.38Å; L305-Y377 WeakPolarHBondContact CD1-OH 3.4Å
306P93.9Very high91.2Very high18 Ų1846.2 Ų46.212%0.11723%0.227CC..EExtended strand (participates in β ladder)trans-75.9141.8174.531.5-32.7000110.7I280 R281 A329 G330 Y331I280-P306 CarbonylContact O-C 3.59Å; I280-P306 WeakPolarHBondContact O-CA 3.42Å; R281-P306 HydrophobicContact CG-CB 4.28Å; P306-A329 WeakPolarHBondContact O-CA 3.05Å; P306-A329 WeakPolarHBondContact O-CB 3.3Å; P306-G330 WeakPolarHBondContact CG-O 3.2Å; P306-G330 PolarHBondContact O-N 2.91Å; P306-Y331 HydrophobicContact CG-CD1 4.15Å; P306-Y331 HydrophobicContact CG-CE1 3.99Å
307I95.8Very high92.5Very high9 Ų944.8 Ų44.85%0.04621%0.209CC..BIsolated β-bridgetrans-65.5134.5168.5-64175000109.1L276 V278 G279 I280 F347L276-I307 HydrophobicContact CB-CD1 3.59Å; L276-I307 HydrophobicContact CD1-CD1 3.8Å; L276-I307 HydrophobicContact CG-CD1 4.35Å; V278-I307 WeakPolarHBondContact CG1-O 3.42Å; G279-I307 PolarHBondContact N-O 3.02Å; I280-I307 HydrophobicContact CB-CD1 4.39Å; I280-I307 PolarHBondContact O-N 3.08Å; I307-F347 HydrophobicContact CD1-CE1 4.13Å; I307-F347 HydrophobicContact CD1-CZ 4.45Å; I307-F347 HydrophobicContact CG1-CE1 3.88Å; I307-F347 HydrophobicContact CG1-CZ 3.73Å
308L95.9Very high93.1Very high19 Ų1944.9 Ų44.910%0.09922%0.216CC..PPolyproline II helixtrans-103.2161.9176.7-62174000111.1Y312 C328 G330 P374L308-Y312 HydrophobicContact CB-CD1 4.39Å; L308-Y312 HydrophobicContact CD1-CD1 3.81Å; L308-Y312 HydrophobicContact CD1-CE1 3.8Å; L308-C328 PolarHBondContact N-O 3.4Å; L308-G330 WeakPolarHBondContact CD2-O 3.45Å; L308-P374 HydrophobicContact CD1-CB 3.51Å; L308-P374 HydrophobicContact CD1-CG 3.89Å
309S96.4Very high93.4Very high46 Ų4646.4 Ų46.432%0.32223%0.23SC..PPolyproline II helixtrans-70145.117971.90000112.3N311 Y312 C313S309-N311 PolarHBondContact O-N 3.06Å; S309-N311 VanDerWaalsContact O-N 3.14Å; S309-Y312 WeakPolarHBondContact O-CA 3.48Å; S309-Y312 WeakPolarHBondContact O-CB 3.43Å; S309-Y312 PolarHBondContact O-N 2.88Å; S309-Y312 WeakPolarHBondContact OG-CB 3.44Å; S309-Y312 PolarHBondContact OG-N 3.27Å; S309-C313 PolarHBondContact O-N 3.02Å; S309-C313 PolarHBondContact O-SG 2.87Å
310D95.9Very high93.6Very high61 Ų6142.3 Ų42.333%0.32622%0.217SC..Hα-helixtrans-54.6-34.4175.3-76.4-30.2000112.7C313 R314 Y321 P323 R379D310-C313 PolarHBondContact O-N 3.33Å; D310-R314 WeakPolarHBondContact O-CB 3.35Å; D310-R314 PolarHBondContact O-N 2.01Å; D310-Y321 HydrophobicContact CB-CE1 4.05Å; D310-Y321 WeakPolarHBondContact OD1-CE1 3.21Å; D310-Y321 PolarHBondContact OD1-OH 2.77Å; D310-P323 HydrophobicContact CB-CB 3.79Å; D310-P323 WeakPolarHBondContact OD1-CB 3.42Å; D310-P323 VanDerWaalsContact OD2-CB 3.28Å; D310-P323 WeakPolarHBondContact OD2-CB 3.48Å; D310-R379 IonicContact OD1-NH2 3.38Å; D310-R379 PolarHBondContact OD1-NH2 3.01Å; D310-R379 IonicContact OD2-NH2 3.85Å
311N95.8Very high93.7Very high92 Ų9242.1 Ų42.149%0.49222%0.216SC..Hα-helixtrans-64.2-43.8175.4-174.89.5000111.6S309 R314 R315S309-N311 PolarHBondContact O-N 3.06Å; S309-N311 VanDerWaalsContact O-N 3.14Å; N311-R314 PolarHBondContact O-N 2.93Å; N311-R315 VanDerWaalsContact O-CG 3.31Å; N311-R315 WeakPolarHBondContact O-CG 3.12Å; N311-R315 PolarHBondContact O-N 3.37Å; N311-R315 PolarHBondContact OD1-NE 2.87Å; N311-R315 VanDerWaalsContact OD1-NE 3.08Å
312Y95.3Very high93.9Very high51 Ų5142 Ų4220%0.222%0.218CC..Hα-helixtrans-61.2-50.6175.4-174.5-83.4000111.1L308 S309 R314 R315 A316 E332 G372 P374L308-Y312 HydrophobicContact CB-CD1 4.39Å; L308-Y312 HydrophobicContact CD1-CD1 3.81Å; L308-Y312 HydrophobicContact CD1-CE1 3.8Å; S309-Y312 WeakPolarHBondContact O-CA 3.48Å; S309-Y312 WeakPolarHBondContact O-CB 3.43Å; S309-Y312 PolarHBondContact O-N 2.88Å; S309-Y312 WeakPolarHBondContact OG-CB 3.44Å; S309-Y312 PolarHBondContact OG-N 3.27Å; Y312-R314 VanDerWaalsContact C-N 3.28Å; Y312-R314 PolarHBondContact O-N 2.97Å; Y312-R315 WeakPolarHBondContact O-CB 3.37Å; Y312-R315 PolarHBondContact O-N 3.48Å; Y312-R315 VanDerWaalsContact O-N 3.12Å; Y312-A316 PolarHBondContact O-N 3.06Å; Y312-E332 HydrophobicContact CE2-CB 4.4Å; Y312-E332 HydrophobicContact CE2-CG 3.8Å; Y312-E332 WeakPolarHBondContact OH-CA 3.25Å; Y312-G372 WeakPolarHBondContact OH-CA 3.46Å; Y312-P374 HydrophobicContact CD1-CG 4.26Å; Y312-P374 HydrophobicContact CE1-CG 3.98Å
313C95.2Very high94Very high0 Ų044.3 Ų44.30%023%0.233CC..Hα-helixtrans-59.9-39.9179-44.20000111.6S309 D310 A316 Y317 Y321 C328S309-C313 PolarHBondContact O-N 3.02Å; S309-C313 PolarHBondContact O-SG 2.87Å; D310-C313 PolarHBondContact O-N 3.33Å; C313-A316 PolarHBondContact O-N 2.83Å; C313-Y317 PolarHBondContact O-N 3.12Å; C313-Y321 HydrophobicContact CB-CD1 3.66Å; C313-Y321 HydrophobicContact CB-CD2 3.64Å; C313-Y321 HydrophobicContact CB-CE1 3.5Å; C313-Y321 VanDerWaalsContact CB-CE1 3.5Å; C313-Y321 HydrophobicContact CB-CE2 3.46Å; C313-Y321 VanDerWaalsContact CB-CE2 3.46Å; C313-Y321 HydrophobicContact CB-CG 3.72Å; C313-C328 HydrophobicContact CB-CB 3.82Å; C313-C328 WeakPolarHBondContact CB-SG 3.32Å; C313-C328 WeakPolarHBondContact SG-CB 3.23Å; C313-C328 CovalentContact SG-SG 2.01Å; C313-C328 PolarHBondContact SG-SG 3.1Å
314R95.1Very high94.3Very high109 Ų10945.9 Ų45.941%0.41125%0.253SS..Hα-helixtrans-66-36.3176.8-17367.9-177.9-173.2-1.6112.5D310 N311 Y312 G318 Y321D310-R314 WeakPolarHBondContact O-CB 3.35Å; D310-R314 PolarHBondContact O-N 2.01Å; N311-R314 PolarHBondContact O-N 2.93Å; Y312-R314 VanDerWaalsContact C-N 3.28Å; Y312-R314 PolarHBondContact O-N 2.97Å; R314-G318 WeakPolarHBondContact CD-O 3.41Å; R314-G318 VanDerWaalsContact CZ-O 3.24Å; R314-G318 PolarHBondContact NE-O 2.96Å; R314-G318 PolarHBondContact NH1-O 2.59Å; R314-G318 WeakPolarHBondContact O-CA 3.27Å; R314-G318 PolarHBondContact O-N 3.05Å; R314-Y321 HydrophobicContact CB-CD1 4.21Å; R314-Y321 PolarHBondContact NH1-O 2.59Å
315R95Very high94.5Very high195 Ų19546.7 Ų46.774%0.73626%0.259SS*.Hα-helixtrans-66.9-38.9173-71.9173-171.3-166.5-4.4111.7N311 Y312N311-R315 VanDerWaalsContact O-CG 3.31Å; N311-R315 WeakPolarHBondContact O-CG 3.12Å; N311-R315 PolarHBondContact O-N 3.37Å; N311-R315 PolarHBondContact OD1-NE 2.87Å; N311-R315 VanDerWaalsContact OD1-NE 3.08Å; Y312-R315 WeakPolarHBondContact O-CB 3.37Å; Y312-R315 PolarHBondContact O-N 3.48Å; Y312-R315 VanDerWaalsContact O-N 3.12Å
316A93.1Very high94.8Very high26 Ų2646.9 Ų46.922%0.21526%0.259CS..Hα-helixtrans-70.1-41.9179.900000113.1Y312 C313 G372Y312-A316 PolarHBondContact O-N 3.06Å; C313-A316 PolarHBondContact O-N 2.83Å; A316-G372 WeakPolarHBondContact CB-O 3.47Å
317Y93Very high94.9Very high10 Ų1046.5 Ų46.54%0.03926%0.257CS..Hα-helixtrans-115.6-2.3-170.3-72.7-84.9000115.2C313 S319 I320 F364 G365 Y366 P374 I376C313-Y317 PolarHBondContact O-N 3.12Å; Y317-S319 PolarHBondContact O-N 3.37Å; Y317-I320 PolarHBondContact O-N 2.84Å; Y317-F364 AromaticContact CD1-CE2 3.79Å; Y317-F364 HydrophobicContact CD1-CE2 3.79Å; Y317-F364 HydrophobicContact CE1-CD2 4.23Å; Y317-F364 AromaticContact CE1-CE2 3.75Å; Y317-F364 HydrophobicContact CE1-CE2 3.75Å; Y317-G365 VanDerWaalsContact OH-CA 3.3Å; Y317-G365 WeakPolarHBondContact OH-CA 3.44Å; Y317-Y366 AromaticContact CD1-CD2 3.6Å; Y317-Y366 HydrophobicContact CD1-CD2 3.6Å; Y317-Y366 AromaticContact CD1-CE2 3.28Å; Y317-Y366 HydrophobicContact CD1-CE2 3.28Å; Y317-Y366 AromaticContact CD1-CZ 3.97Å; Y317-Y366 HydrophobicContact CE1-CD1 4.44Å; Y317-Y366 AromaticContact CE1-CD2 3.19Å; Y317-Y366 HydrophobicContact CE1-CD2 3.19Å; Y317-Y366 AromaticContact CE1-CE2 3.39Å; Y317-Y366 HydrophobicContact CE1-CE2 3.39Å; Y317-Y366 AromaticContact CE1-CG 3.77Å; Y317-Y366 HydrophobicContact CE1-CG 3.77Å; Y317-Y366 HydrophobicContact CG-CE2 4.36Å; Y317-Y366 PolarHBondContact OH-N 3.28Å; Y317-Y366 VanDerWaalsContact OH-N 3.09Å; Y317-P374 HydrophobicContact CE2-CG 4.19Å; Y317-P374 VanDerWaalsContact CE2-O 3.29Å; Y317-P374 WeakPolarHBondContact CE2-O 3.32Å; Y317-P374 PolarHBondContact OH-O 2.81Å; Y317-I376 HydrophobicContact CD2-CD1 3.64Å; Y317-I376 HydrophobicContact CD2-CG1 4.08Å; Y317-I376 HydrophobicContact CE1-CG1 4.31Å; Y317-I376 HydrophobicContact CE2-CD1 3.51Å; Y317-I376 HydrophobicContact CE2-CG1 3.71Å; Y317-I376 HydrophobicContact CG-CD1 4.39Å
318G93.7Very high94.9Very high32 Ų3246.1 Ų46.133%0.3326%0.255SS..G310 helixtrans55.1-134.3179.800000112.8R314 I320 Y321R314-G318 WeakPolarHBondContact CD-O 3.41Å; R314-G318 VanDerWaalsContact CZ-O 3.24Å; R314-G318 PolarHBondContact NE-O 2.96Å; R314-G318 PolarHBondContact NH1-O 2.59Å; R314-G318 WeakPolarHBondContact O-CA 3.27Å; R314-G318 PolarHBondContact O-N 3.05Å; G318-I320 PolarHBondContact O-N 3.03Å; G318-Y321 PolarHBondContact O-N 3.24Å
319S91.5Very high94.8Very high78 Ų7845.2 Ų45.255%0.54525%0.25SS..G310 helixtrans-63.6-13.2-176.260.20000115.5Y317Y317-S319 PolarHBondContact O-N 3.37Å
320I92.5Very high94.5Very high41 Ų4143.1 Ų43.121%0.2124%0.236CC..G310 helixtrans-80-25.7-178.5-60.1169.2000110.9F246 Y317 G318 F364 Y366F246-I320 WeakPolarHBondContact CE1-O 3.23Å; Y317-I320 PolarHBondContact O-N 2.84Å; G318-I320 PolarHBondContact O-N 3.03Å; I320-F364 HydrophobicContact CG2-CE2 4.03Å; I320-F364 HydrophobicContact CG2-CZ 3.77Å; I320-Y366 VanDerWaalsContact CD1-OH 3.29Å; I320-Y366 WeakPolarHBondContact CD1-OH 3.4Å
321Y95.4Very high94.2Very high0 Ų043.5 Ų43.50%023%0.233CC..  trans-83.2124.6174.8-175.8-104000112D310 C313 R314 G318 P323 M326 T327 C328 I376D310-Y321 HydrophobicContact CB-CE1 4.05Å; D310-Y321 WeakPolarHBondContact OD1-CE1 3.21Å; D310-Y321 PolarHBondContact OD1-OH 2.77Å; C313-Y321 HydrophobicContact CB-CD1 3.66Å; C313-Y321 HydrophobicContact CB-CD2 3.64Å; C313-Y321 HydrophobicContact CB-CE1 3.5Å; C313-Y321 VanDerWaalsContact CB-CE1 3.5Å; C313-Y321 HydrophobicContact CB-CE2 3.46Å; C313-Y321 VanDerWaalsContact CB-CE2 3.46Å; C313-Y321 HydrophobicContact CB-CG 3.72Å; R314-Y321 HydrophobicContact CB-CD1 4.21Å; R314-Y321 PolarHBondContact NH1-O 2.59Å; G318-Y321 PolarHBondContact O-N 3.24Å; Y321-P323 HydrophobicContact CE1-CB 3.86Å; Y321-M326 HydrophobicContact CD2-CB 4Å; Y321-M326 HydrophobicContact CD2-SD 4.19Å; Y321-M326 HydrophobicContact CE2-CB 3.63Å; Y321-M326 PolarHBondContact OH-O 2.87Å; Y321-T327 WeakPolarHBondContact OH-CA 3.3Å; Y321-C328 HydrophobicContact CE2-CB 4.24Å; Y321-I376 HydrophobicContact CD2-CD1 3.78Å; Y321-I376 HydrophobicContact CE2-CD1 4.07Å
322L95.6Very high93.7Very high55 Ų5544.6 Ų44.629%0.28824%0.235SC..  trans-118.9100.4177.4-67.3-175.8000111.3F246 G324 I325 M326F246-L322 HydrophobicContact CD1-CD1 3.6Å; F246-L322 HydrophobicContact CD1-CG 4.18Å; F246-L322 HydrophobicContact CD2-CD1 3.88Å; F246-L322 HydrophobicContact CE1-CD1 3.43Å; F246-L322 VanDerWaalsContact CE1-CD1 3.43Å; F246-L322 HydrophobicContact CE1-CG 3.65Å; F246-L322 HydrophobicContact CE2-CD1 3.72Å; F246-L322 HydrophobicContact CG-CD1 3.82Å; F246-L322 HydrophobicContact CZ-CD1 3.48Å; F246-L322 VanDerWaalsContact CZ-CD1 3.48Å; F246-L322 HydrophobicContact CZ-CD2 4.33Å; F246-L322 HydrophobicContact CZ-CG 3.84Å; L322-G324 PolarHBondContact O-N 2.97Å; L322-I325 HydrophobicContact CB-CD1 4.28Å; L322-I325 HydrophobicContact CB-CG1 3.78Å; L322-I325 HydrophobicContact CD1-CD1 3.95Å; L322-I325 HydrophobicContact CD1-CG1 4.34Å; L322-I325 PolarHBondContact O-N 2.81Å; L322-I325 VanDerWaalsContact O-N 3.08Å; L322-M326 HydrophobicContact CB-SD 4.27Å; L322-M326 PolarHBondContact N-SD 2.82Å; L322-M326 VanDerWaalsContact N-SD 3.36Å; L322-M326 WeakPolarHBondContact O-CB 3.03Å; L322-M326 PolarHBondContact O-N 2.91Å
323P92.8Very high93.2Very high52 Ų5248.3 Ų48.334%0.33826%0.258SS..THydrogen-bonded Turntrans-61-23.2-17123.5-34.9000114.7D310 Y321 R379D310-P323 HydrophobicContact CB-CB 3.79Å; D310-P323 WeakPolarHBondContact OD1-CB 3.42Å; D310-P323 VanDerWaalsContact OD2-CB 3.28Å; D310-P323 WeakPolarHBondContact OD2-CB 3.48Å; Y321-P323 HydrophobicContact CE1-CB 3.86Å; P323-R379 PolarHBondContact O-NH1 3.4Å; P323-R379 PolarHBondContact O-NH2 2.97Å
324G94.6Very high92.6Very high52 Ų5248.8 Ų48.854%0.53626%0.264SS..THydrogen-bonded Turntrans-72-26.8178.200000114.3L322 A382L322-G324 PolarHBondContact O-N 2.97Å; G324-A382 VanDerWaalsContact O-CB 3.28Å; G324-A382 WeakPolarHBondContact O-CB 3.08Å
325I96.7Very high91.6Very high35 Ų3545 Ų4518%0.17926%0.258CS..THydrogen-bonded Turntrans-125-6.6-174.462.5166.8000113.2F246 L322 R379 A382 F383F246-I325 HydrophobicContact CB-CD1 4.39Å; L322-I325 HydrophobicContact CB-CD1 4.28Å; L322-I325 HydrophobicContact CB-CG1 3.78Å; L322-I325 HydrophobicContact CD1-CD1 3.95Å; L322-I325 HydrophobicContact CD1-CG1 4.34Å; L322-I325 PolarHBondContact O-N 2.81Å; L322-I325 VanDerWaalsContact O-N 3.08Å; I325-R379 WeakPolarHBondContact O-CB 3.38Å; I325-R379 PolarHBondContact O-N 2.98Å; I325-A382 HydrophobicContact CG2-CB 4.36Å; I325-F383 HydrophobicContact CB-CE2 3.93Å; I325-F383 HydrophobicContact CB-CZ 3.88Å; I325-F383 HydrophobicContact CG2-CE2 4.26Å; I325-F383 HydrophobicContact CG2-CZ 3.98Å
326M97.5Very high90.5Very high3 Ų336.4 Ų36.42%0.01523%0.229CC..EExtended strand (participates in β ladder)trans-121.7153179-65.4169.5-179.700110.5F246 Y321 L322 F364 I376 Y377 R379F246-M326 HydrophobicContact CD1-CE 3.66Å; F246-M326 HydrophobicContact CE1-CE 4.16Å; Y321-M326 HydrophobicContact CD2-CB 4Å; Y321-M326 HydrophobicContact CD2-SD 4.19Å; Y321-M326 HydrophobicContact CE2-CB 3.63Å; Y321-M326 PolarHBondContact OH-O 2.87Å; L322-M326 HydrophobicContact CB-SD 4.27Å; L322-M326 PolarHBondContact N-SD 2.82Å; L322-M326 VanDerWaalsContact N-SD 3.36Å; L322-M326 WeakPolarHBondContact O-CB 3.03Å; L322-M326 PolarHBondContact O-N 2.91Å; M326-F364 HydrophobicContact CE-CE1 3.96Å; M326-F364 HydrophobicContact CE-CZ 4.49Å; M326-F364 HydrophobicContact SD-CE1 4.22Å; M326-F364 HydrophobicContact SD-CZ 4.43Å; M326-I376 HydrophobicContact CB-CG2 4.05Å; M326-I376 HydrophobicContact CG-CG2 4.01Å; M326-I376 HydrophobicContact SD-CG2 3.94Å; M326-Y377 CarbonylContact C-O 3.49Å; M326-Y377 VanDerWaalsContact CA-O 3.32Å; M326-Y377 WeakPolarHBondContact CA-O 3.34Å; M326-R379 VanDerWaalsContact O-CZ 3.27Å; M326-R379 PolarHBondContact O-NE 2.97Å; M326-R379 PolarHBondContact O-NH2 3.26Å
327T96.5Very high89.4Confident11 Ų1135.9 Ų35.97%0.06722%0.223CC..EExtended strand (participates in β ladder)trans-130.3156.1161.7-171.50000107.8Y321 Y377Y321-T327 WeakPolarHBondContact OH-CA 3.3Å; T327-Y377 PolarHBondContact N-O 3.46Å; T327-Y377 PolarHBondContact O-N 2.71Å
328C95Very high88Confident0 Ų035.9 Ų35.90%022%0.224CC..EExtended strand (participates in β ladder)trans-125.5148.3173.289.70000111.4L308 C313 Y321 P374 G375 I376L308-C328 PolarHBondContact N-O 3.4Å; C313-C328 HydrophobicContact CB-CB 3.82Å; C313-C328 WeakPolarHBondContact CB-SG 3.32Å; C313-C328 WeakPolarHBondContact SG-CB 3.23Å; C313-C328 CovalentContact SG-SG 2.01Å; C313-C328 PolarHBondContact SG-SG 3.1Å; Y321-C328 HydrophobicContact CE2-CB 4.24Å; C328-P374 HydrophobicContact CB-CB 4.29Å; C328-P374 HydrophobicContact CB-CG 4.13Å; C328-P374 WeakPolarHBondContact SG-CG 3.22Å; C328-G375 VanDerWaalsContact CA-O 3.23Å; C328-G375 WeakPolarHBondContact CA-O 3.33Å; C328-G375 WeakPolarHBondContact CB-O 3.43Å; C328-I376 HydrophobicContact CB-CD1 3.41Å; C328-I376 VanDerWaalsContact CB-CD1 3.41Å
329A93.7Very high87.2Confident0 Ų035.1 Ų35.10%021%0.213CC..EExtended strand (participates in β ladder)trans-144.1150-177.100000110.7L305 P306 F347 P374 G375 Y377L305-A329 HydrophobicContact CB-CB 3.99Å; P306-A329 WeakPolarHBondContact O-CA 3.05Å; P306-A329 WeakPolarHBondContact O-CB 3.3Å; A329-F347 HydrophobicContact CB-CD2 4.35Å; A329-F347 HydrophobicContact CB-CE2 3.34Å; A329-F347 HydrophobicContact CB-CZ 3.59Å; A329-P374 WeakPolarHBondContact O-CB 3.47Å; A329-G375 PolarHBondContact N-O 3.48Å; A329-G375 VanDerWaalsContact N-O 3.08Å; A329-G375 PolarHBondContact O-N 2.86Å; A329-G375 VanDerWaalsContact O-N 3.15Å; A329-Y377 HydrophobicContact CB-CD2 4.33Å; A329-Y377 HydrophobicContact CB-CE2 3.83Å
330G91Very high85.8Confident2 Ų237.1 Ų37.12%0.02121%0.214CC..SBendtrans147.1176.8-177.900000111.7P306 L308P306-G330 WeakPolarHBondContact CG-O 3.2Å; P306-G330 PolarHBondContact O-N 2.91Å; L308-G330 WeakPolarHBondContact CD2-O 3.45Å
331Y88.2Confident84.7Confident70 Ų7035.6 Ų35.628%0.27521%0.209SC..  trans-96.1140.1174.4-60.7-84.7000109.3Y304 L305 P306 N333 G334 A336Y304-Y331 PolarHBondContact O-OH 3.34Å; L305-Y331 HydrophobicContact CD2-CD2 4.29Å; L305-Y331 HydrophobicContact CD2-CE2 3.94Å; P306-Y331 HydrophobicContact CG-CD1 4.15Å; P306-Y331 HydrophobicContact CG-CE1 3.99Å; Y331-N333 PolarHBondContact O-N 2.87Å; Y331-N333 VanDerWaalsContact O-N 3.16Å; Y331-G334 WeakPolarHBondContact O-CA 3.21Å; Y331-G334 PolarHBondContact O-N 3.39Å; Y331-A336 HydrophobicContact CD2-CB 3.97Å; Y331-A336 HydrophobicContact CE2-CB 3.98Å
332E85.4Confident84Confident115 Ų11536.4 Ų36.454%0.53721%0.213SC..THydrogen-bonded Turntrans-59.1-33-177.9-59.7-171.3169.200112.7Y312 G334 R371 G372Y312-E332 HydrophobicContact CE2-CB 4.4Å; Y312-E332 HydrophobicContact CE2-CG 3.8Å; Y312-E332 WeakPolarHBondContact OH-CA 3.25Å; E332-G334 PolarHBondContact O-N 3.14Å; E332-R371 WeakPolarHBondContact O-CG 3.49Å; E332-G372 PolarHBondContact O-N 2.52Å
333N85.1Confident83.8Confident128 Ų12834.4 Ų34.468%0.68420%0.204SC*.THydrogen-bonded Turntrans-79.2-0.9175.4-68.9-29.5000113.8Y331Y331-N333 PolarHBondContact O-N 2.87Å; Y331-N333 VanDerWaalsContact O-N 3.16Å
334G82.9Confident84Confident11 Ų1131.9 Ų31.911%0.11319%0.188CC..  trans73-149.1-17300000112.5Y331 E332 A336 A369Y331-G334 WeakPolarHBondContact O-CA 3.21Å; Y331-G334 PolarHBondContact O-N 3.39Å; E332-G334 PolarHBondContact O-N 3.14Å; G334-A336 VanDerWaalsContact C-N 3.32Å; G334-A336 PolarHBondContact O-N 2.9Å; G334-A369 WeakPolarHBondContact CA-O 3.24Å
335G73.9Confident84Confident29 Ų2929.4 Ų29.430%0.29916%0.162SC..SBendtrans88-20.1175.200000115.9V140 R141 A369V140-G335 WeakPolarHBondContact CG1-O 3.32Å; R141-G335 PolarHBondContact N-O 2.78Å; R141-G335 VanDerWaalsContact N-O 3.07Å; G335-A369 PolarHBondContact N-O 2.76Å
336A72.9Confident84.1Confident14 Ų1427.8 Ų27.812%0.11615%0.154CC..  trans-145.3134.7171.400000111V303 L305 Y331 G334V303-A336 HydrophobicContact CG2-CB 3.91Å; L305-A336 HydrophobicContact CD2-CB 3.82Å; Y331-A336 HydrophobicContact CD2-CB 3.97Å; Y331-A336 HydrophobicContact CE2-CB 3.98Å; G334-A336 VanDerWaalsContact C-N 3.32Å; G334-A336 PolarHBondContact O-N 2.9Å
337D68.8Low84.1Confident15 Ų1527.6 Ų27.68%0.0815%0.153CC..  trans-166.6167.5-176.7-159.63.5000110.1A369 G375D337-A369 HydrophobicContact CB-CB 3.75Å; D337-A369 PolarHBondContact OD2-N 3.36Å; D337-A369 VanDerWaalsContact OD2-N 3.12Å; D337-G375 WeakPolarHBondContact OD1-CA 3.22Å; D337-G375 PolarHBondContact OD1-N 2.93Å
338S64.2Low84.1Confident11 Ų1127.1 Ų27.18%0.07715%0.15CC..  trans-73160.6157.852.40000110.1V362 Y377S338-V362 WeakPolarHBondContact OG-CG1 3.11Å; S338-Y377 PolarHBondContact OG-OH 2.78Å
339C76.3Confident84.2Confident15 Ų1527.2 Ų27.210%0.10115%0.151CC..  trans-142.5-172.6179.2-1610000112.1H289 G341 D342 C368H289-C339 HydrophobicContact CB-CB 4.42Å; H289-C339 WeakPolarHBondContact O-CB 3.35Å; C339-G341 PolarHBondContact O-N 3.02Å; C339-D342 PolarHBondContact N-OD2 2.83Å; C339-D342 WeakPolarHBondContact O-CB 3.42Å; C339-D342 PolarHBondContact O-N 3.37Å; C339-C368 WeakPolarHBondContact CA-SG 3.47Å; C339-C368 HydrophobicContact CB-CB 3.69Å; C339-C368 WeakPolarHBondContact CB-SG 3.31Å; C339-C368 WeakPolarHBondContact SG-CB 3.13Å; C339-C368 CovalentContact SG-SG 2.03Å; C339-C368 PolarHBondContact SG-SG 3.06Å
340Q62.6Low84.2Confident120 Ų12031.7 Ų31.756%0.56117%0.168SC*.THydrogen-bonded Turntrans-53.3127.8179.6-17362.927.900111.2G288 H289G288-Q340 CarbonylContact C-O 3.55Å; G288-Q340 WeakPolarHBondContact CA-O 3.19Å; H289-Q340 HydrophobicContact CB-CB 4.49Å; H289-Q340 PolarHBondContact CD2-O 3.01Å; H289-Q340 VanDerWaalsContact CD2-O 3.3Å; H289-Q340 PolarHBondContact N-O 3.03Å
341G68.8Low84.1Confident10 Ų1034 Ų3410%0.10318%0.18CC..THydrogen-bonded Turntrans96-21.3-175.200000114.1H162 C339 S343H162-G341 PolarHBondContact NE2-O 3.17Å; C339-G341 PolarHBondContact O-N 3.02Å; G341-S343 VanDerWaalsContact C-N 3.27Å
342D82.4Confident84Confident16 Ų1638.6 Ų38.69%0.08621%0.21CC..  trans-81.3-10.8172.9-58.5-41.6000112.6G286 W287 G288 C339 G344 G345 V362G286-D342 VanDerWaalsContact C-OD1 3.25Å; G286-D342 WeakPolarHBondContact CA-OD1 3.3Å; W287-D342 PolarHBondContact N-OD1 3.18Å; G288-D342 VanDerWaalsContact CA-OD1 3.25Å; G288-D342 WeakPolarHBondContact CA-OD1 3.37Å; G288-D342 PolarHBondContact N-OD1 3.46Å; C339-D342 PolarHBondContact N-OD2 2.83Å; C339-D342 WeakPolarHBondContact O-CB 3.42Å; C339-D342 PolarHBondContact O-N 3.37Å; D342-G344 PolarHBondContact O-N 2.91Å; D342-G345 WeakPolarHBondContact O-CA 3.38Å; D342-G345 PolarHBondContact O-N 3.07Å; D342-V362 HydrophobicContact CB-CG1 4.43Å; D342-V362 WeakPolarHBondContact O-CB 3.48Å
343S91Very high84.2Confident13 Ų1335.9 Ų35.99%0.09120%0.198CC..THydrogen-bonded Turntrans-41.3132.9173.6-75.20000112.4C164 G165 H186 G341 G345C164-S343 CarbonylContact C-O 3.59Å; C164-S343 WeakPolarHBondContact CA-O 3.4Å; C164-S343 WeakPolarHBondContact CB-O 3.36Å; C164-S343 PolarHBondContact SG-O 3.16Å; G165-S343 PolarHBondContact N-O 3.01Å; H186-S343 PolarHBondContact CE1-OG 2.95Å; H186-S343 WeakPolarHBondContact NE2-CB 3.38Å; H186-S343 PolarHBondContact NE2-OG 3.49Å; G341-S343 VanDerWaalsContact C-N 3.27Å; S343-G345 PolarHBondContact O-N 2.8Å
344G96Very high84.3Confident0 Ų034 Ų340%019%0.189CC..THydrogen-bonded Turntrans75.9-8.4-176.200000115.3G165 G166 T183 A184 D342 V362G165-G344 CarbonylContact C-O 3.53Å; G165-G344 CarbonylContact O-C 3.47Å; G165-G344 VanDerWaalsContact O-C 3.31Å; G166-G344 WeakPolarHBondContact CA-O 3.39Å; T183-G344 WeakPolarHBondContact OG1-CA 3.42Å; A184-G344 VanDerWaalsContact N-CA 3.34Å; D342-G344 PolarHBondContact O-N 2.91Å; G344-V362 PolarHBondContact N-O 2.83Å
345G96.2Very high84.9Confident0 Ų033.5 Ų33.50%018%0.183CC..  trans-66.9167176.100000113.8D342 S343 V362D342-G345 WeakPolarHBondContact O-CA 3.38Å; D342-G345 PolarHBondContact O-N 3.07Å; S343-G345 PolarHBondContact O-N 2.8Å; G345-V362 WeakPolarHBondContact O-CG2 3.13Å; G345-V362 PolarHBondContact O-N 3.38Å
346P97.5Very high86Confident0 Ų032.8 Ų32.80%017%0.172CC..EExtended strand (participates in β ladder)trans-74.8142.2-177.127.2-32.5000113.4M153 T167 V284 S285 V348 L358M153-P346 WeakPolarHBondContact SD-CD 3.3Å; M153-P346 HydrophobicContact SD-CG 3.73Å; T167-P346 WeakPolarHBondContact OG1-CB 3.38Å; V284-P346 WeakPolarHBondContact CA-O 3.42Å; S285-P346 VanDerWaalsContact OG-CG 3.32Å; S285-P346 WeakPolarHBondContact OG-CG 3.4Å; P346-V348 HydrophobicContact CB-CG1 3.85Å; P346-L358 HydrophobicContact CB-CD1 3.74Å
347F96.9Very high87.2Confident0 Ų033 Ų330%017%0.169CC..EExtended strand (participates in β ladder)trans-113.795.2153.8-177.8-92.4000107.1C282 V284 L305 I307 A329 H359 G360 Y377C282-F347 HydrophobicContact CB-CD1 3.83Å; C282-F347 HydrophobicContact CB-CD2 4.24Å; C282-F347 HydrophobicContact CB-CE1 3.38Å; C282-F347 HydrophobicContact CB-CE2 3.78Å; C282-F347 HydrophobicContact CB-CG 4.24Å; C282-F347 HydrophobicContact CB-CZ 3.34Å; C282-F347 WeakPolarHBondContact SG-CE1 3.32Å; V284-F347 HydrophobicContact CG2-CB 4.42Å; V284-F347 HydrophobicContact CG2-CD2 3.36Å; V284-F347 HydrophobicContact CG2-CE2 4.01Å; V284-F347 HydrophobicContact CG2-CG 4.3Å; L305-F347 HydrophobicContact CB-CE2 4.38Å; I307-F347 HydrophobicContact CD1-CE1 4.13Å; I307-F347 HydrophobicContact CD1-CZ 4.45Å; I307-F347 HydrophobicContact CG1-CE1 3.88Å; I307-F347 HydrophobicContact CG1-CZ 3.73Å; A329-F347 HydrophobicContact CB-CD2 4.35Å; A329-F347 HydrophobicContact CB-CE2 3.34Å; A329-F347 HydrophobicContact CB-CZ 3.59Å; F347-H359 HydrophobicContact CD1-CB 4.36Å; F347-H359 PolarHBondContact O-N 3.43Å; F347-G360 PolarHBondContact N-O 2.84Å; F347-G360 PolarHBondContact O-N 2.87Å; F347-Y377 HydrophobicContact CB-CD1 3.55Å; F347-Y377 HydrophobicContact CB-CE1 3.84Å; F347-Y377 HydrophobicContact CB-CG 4.3Å; F347-Y377 AromaticContact CD2-CD1 3.9Å; F347-Y377 HydrophobicContact CD2-CD1 3.9Å; F347-Y377 HydrophobicContact CD2-CD2 4.39Å; F347-Y377 AromaticContact CD2-CE1 3.61Å; F347-Y377 HydrophobicContact CD2-CE1 3.61Å; F347-Y377 HydrophobicContact CD2-CE2 4.19Å; F347-Y377 HydrophobicContact CD2-CG 4.3Å; F347-Y377 AromaticContact CD2-CZ 3.82Å; F347-Y377 HydrophobicContact CE2-CE2 4.43Å; F347-Y377 AromaticContact CG-CD1 3.95Å; F347-Y377 HydrophobicContact CG-CD1 3.95Å; F347-Y377 HydrophobicContact CG-CE1 4.08Å; F347-Y377 HydrophobicContact CG-CG 4.34Å
348V97.6Very high88.6Confident0 Ų032.2 Ų32.20%017%0.165CC..EExtended strand (participates in β ladder)trans-105.9132.3-173.9-70.60000111.6W152 A267 C282 L283 P346 W356 Y357 L358W152-V348 HydrophobicContact CZ2-CG2 4.08Å; A267-V348 HydrophobicContact CB-CG1 4.26Å; C282-V348 CarbonylContact C-O 3.49Å; C282-V348 WeakPolarHBondContact CA-O 3.47Å; C282-V348 VanDerWaalsContact CB-O 3.3Å; C282-V348 WeakPolarHBondContact CB-O 3.36Å; L283-V348 HydrophobicContact CB-CG2 4Å; L283-V348 PolarHBondContact N-O 2.77Å; L283-V348 PolarHBondContact O-N 2.67Å; P346-V348 HydrophobicContact CB-CG1 3.85Å; V348-W356 HydrophobicContact CB-CB 4.48Å; V348-W356 HydrophobicContact CB-CE3 4.06Å; V348-W356 HydrophobicContact CG2-CD2 4.46Å; V348-W356 HydrophobicContact CG2-CE3 3.68Å; V348-W356 HydrophobicContact CG2-CZ3 4.22Å; V348-Y357 CarbonylContact C-O 3.51Å; V348-Y357 WeakPolarHBondContact CA-O 3.24Å; V348-L358 HydrophobicContact CG1-CB 4.24Å; V348-L358 HydrophobicContact CG1-CD1 3.93Å
349C96.4Very high90.2Very high3 Ų332.3 Ų32.32%0.0217%0.165CC..EExtended strand (participates in β ladder)trans-108.9142.1178.8-48.20000109L276 C282 W356 Y357L276-C349 HydrophobicContact CD1-CB 3.77Å; L276-C349 WeakPolarHBondContact CD1-SG 3.48Å; C282-C349 HydrophobicContact CB-CB 3.97Å; C282-C349 WeakPolarHBondContact CB-SG 3.46Å; C282-C349 WeakPolarHBondContact SG-CB 3.35Å; C282-C349 CovalentContact SG-SG 2.03Å; C282-C349 PolarHBondContact SG-SG 2.84Å; C349-W356 WeakPolarHBondContact O-CA 3.28Å; C349-Y357 PolarHBondContact N-O 2.96Å; C349-Y357 PolarHBondContact O-N 2.83Å
350Y93.8Very high91.2Very high93 Ų9331.6 Ų31.637%0.36516%0.16SC..EExtended strand (participates in β ladder)trans-85.5132.3174.9-164.8-107.3000108.8D354 W356Y350-D354 VanDerWaalsContact CZ-CA 3.47Å; Y350-D354 WeakPolarHBondContact OH-CA 3.39Å; Y350-D354 WeakPolarHBondContact OH-CB 3.2Å; Y350-D354 VanDerWaalsContact OH-CG 3.27Å; Y350-D354 PolarHBondContact OH-OD1 3.44Å; Y350-W356 AromaticContact CD2-CD1 3.85Å; Y350-W356 AromaticContact CD2-CD2 3.83Å; Y350-W356 HydrophobicContact CD2-CD2 3.83Å; Y350-W356 AromaticContact CD2-CE2 3.52Å; Y350-W356 HydrophobicContact CD2-CE3 4.46Å; Y350-W356 HydrophobicContact CD2-CG 4.08Å; Y350-W356 AromaticContact CD2-CZ2 3.92Å; Y350-W356 HydrophobicContact CD2-CZ2 3.92Å; Y350-W356 AromaticContact CD2-NE1 3.52Å; Y350-W356 AromaticContact CE2-NE1 3.74Å; Y350-W356 HydrophobicContact CG-CZ2 4.46Å
351D89.2Confident92.9Very high51 Ų5125.9 Ų25.927%0.27313%0.133SC..  trans-112.7168.2-176.9-157.3-0.5000111.1D353 D354 S355 Y357D351-D353 PolarHBondContact O-N 3.1Å; D351-D354 PolarHBondContact O-N 2.78Å; D351-D354 VanDerWaalsContact O-N 3.16Å; D351-S355 PolarHBondContact N-O 2.05Å; D351-Y357 HydrophobicContact CB-CD2 3.62Å; D351-Y357 HydrophobicContact CB-CE2 3.55Å
352D85.9Confident94.2Very high167 Ų16725.7 Ų25.789%0.89313%0.13SC*.THydrogen-bonded Turntrans-63.8-15.7-173.7-68.3-23.7000113.5D354D352-D354 VanDerWaalsContact C-N 3.25Å; D352-D354 PolarHBondContact O-N 2.95Å
353D89.6Confident94.8Very high57 Ų5725.1 Ų25.131%0.30513%0.127SC..THydrogen-bonded Turntrans-8712.317877.8-1.6000114.4K123 R173 D351 S355 Y357K123-D353 WeakPolarHBondContact CE-O 3.19Å; K123-D353 PolarHBondContact NZ-O 2.89Å; R173-D353 IonicContact CZ-OD2 3.59Å; R173-D353 IonicContact NH1-OD2 3.59Å; R173-D353 IonicContact NH2-OD2 2.72Å; R173-D353 PolarHBondContact NH2-OD2 3.14Å; D351-D353 PolarHBondContact O-N 3.1Å; D353-S355 VanDerWaalsContact C-N 3.33Å; D353-S355 VanDerWaalsContact CG-OG 3.28Å; D353-S355 PolarHBondContact O-N 3.06Å; D353-S355 PolarHBondContact O-OG 3.21Å; D353-S355 WeakPolarHBondContact OD1-CA 3.29Å; D353-S355 WeakPolarHBondContact OD1-CB 3.43Å; D353-S355 PolarHBondContact OD1-N 3.17Å; D353-S355 PolarHBondContact OD1-OG 2.95Å; D353-S355 PolarHBondContact OD2-OG 3.36Å; D353-Y357 PolarHBondContact OD2-OH 3.08Å
354D88.3Confident94.8Very high90 Ų9025.8 Ų25.848%0.48113%0.128SC..SBendtrans6133.1-174-71-45.2000114.4K123 Y350 D351 D352K123-D354 WeakPolarHBondContact CE-O 3.35Å; Y350-D354 VanDerWaalsContact CZ-CA 3.47Å; Y350-D354 WeakPolarHBondContact OH-CA 3.39Å; Y350-D354 WeakPolarHBondContact OH-CB 3.2Å; Y350-D354 VanDerWaalsContact OH-CG 3.27Å; Y350-D354 PolarHBondContact OH-OD1 3.44Å; D351-D354 PolarHBondContact O-N 2.78Å; D351-D354 VanDerWaalsContact O-N 3.16Å; D352-D354 VanDerWaalsContact C-N 3.25Å; D352-D354 PolarHBondContact O-N 2.95Å
355S94.3Very high94.3Very high0 Ų027.3 Ų27.30%014%0.144CC..  trans-123.4151.4178.7-36.30000112.7G122 K123 D351 D353G122-S355 WeakPolarHBondContact O-CA 3.42Å; K123-S355 WeakPolarHBondContact CE-OG 3.28Å; D351-S355 PolarHBondContact N-O 2.05Å; D353-S355 VanDerWaalsContact C-N 3.33Å; D353-S355 VanDerWaalsContact CG-OG 3.28Å; D353-S355 PolarHBondContact O-N 3.06Å; D353-S355 PolarHBondContact O-OG 3.21Å; D353-S355 WeakPolarHBondContact OD1-CA 3.29Å; D353-S355 WeakPolarHBondContact OD1-CB 3.43Å; D353-S355 PolarHBondContact OD1-N 3.17Å; D353-S355 PolarHBondContact OD1-OG 2.95Å; D353-S355 PolarHBondContact OD2-OG 3.36Å
356W96.9Very high93.6Very high14 Ų1432 Ų325%0.05316%0.162CC..EExtended strand (participates in β ladder)trans-91.7124.2173.1-66.889.2000111.6G122 P128 W152 C268 L283 Y304 V348 C349 Y350G122-W356 WeakPolarHBondContact CA-O 3.16Å; G122-W356 PolarHBondContact O-N 2.97Å; P128-W356 HydrophobicContact CB-CZ2 4.18Å; P128-W356 HydrophobicContact CG-CZ2 3.91Å; W152-W356 HydrophobicContact CH2-CB 3.56Å; W152-W356 AromaticContact CH2-CD1 3.45Å; W152-W356 VanDerWaalsContact CH2-CD1 3.45Å; W152-W356 HydrophobicContact CH2-CD2 4.11Å; W152-W356 AromaticContact CH2-CG 3.4Å; W152-W356 HydrophobicContact CH2-CG 3.4Å; W152-W356 VanDerWaalsContact CH2-CG 3.4Å; W152-W356 HydrophobicContact CZ2-CB 3.98Å; W152-W356 HydrophobicContact CZ2-CD2 4.31Å; W152-W356 AromaticContact CZ2-CG 3.94Å; W152-W356 HydrophobicContact CZ2-CG 3.94Å; W152-W356 HydrophobicContact CZ3-CB 4.01Å; W152-W356 HydrophobicContact CZ3-CG 4.19Å; C268-W356 PolarHBondContact N-O 3.16Å; L283-W356 HydrophobicContact CB-CE3 4.46Å; L283-W356 HydrophobicContact CB-CH2 4.09Å; L283-W356 HydrophobicContact CB-CZ3 3.62Å; L283-W356 HydrophobicContact CD2-CH2 4.07Å; L283-W356 HydrophobicContact CD2-CZ3 4.18Å; Y304-W356 AromaticContact CE1-CH2 3.83Å; Y304-W356 HydrophobicContact CE1-CH2 3.83Å; Y304-W356 HydrophobicContact CE1-CZ3 4.3Å; Y304-W356 WeakPolarHBondContact OH-CH2 3.44Å; V348-W356 HydrophobicContact CB-CB 4.48Å; V348-W356 HydrophobicContact CB-CE3 4.06Å; V348-W356 HydrophobicContact CG2-CD2 4.46Å; V348-W356 HydrophobicContact CG2-CE3 3.68Å; V348-W356 HydrophobicContact CG2-CZ3 4.22Å; C349-W356 WeakPolarHBondContact O-CA 3.28Å; Y350-W356 AromaticContact CD2-CD1 3.85Å; Y350-W356 AromaticContact CD2-CD2 3.83Å; Y350-W356 HydrophobicContact CD2-CD2 3.83Å; Y350-W356 AromaticContact CD2-CE2 3.52Å; Y350-W356 HydrophobicContact CD2-CE3 4.46Å; Y350-W356 HydrophobicContact CD2-CG 4.08Å; Y350-W356 AromaticContact CD2-CZ2 3.92Å; Y350-W356 HydrophobicContact CD2-CZ2 3.92Å; Y350-W356 AromaticContact CD2-NE1 3.52Å; Y350-W356 AromaticContact CE2-NE1 3.74Å; Y350-W356 HydrophobicContact CG-CZ2 4.46Å
357Y97.7Very high92.5Very high17 Ų1733.2 Ų33.27%0.06717%0.174CC..EExtended strand (participates in β ladder)trans-111.4135.2-179.8-73.1-101.4000111.8R173 C268 L269 V348 C349 D351 D353 H359R173-Y357 VanDerWaalsContact CZ-OH 3.26Å; R173-Y357 PolarHBondContact NH1-OH 3.15Å; R173-Y357 PolarHBondContact NH2-OH 3.04Å; C268-Y357 HydrophobicContact CB-CD1 3.44Å; C268-Y357 VanDerWaalsContact CB-CD1 3.44Å; C268-Y357 HydrophobicContact CB-CD2 4.24Å; C268-Y357 HydrophobicContact CB-CE1 3.52Å; C268-Y357 HydrophobicContact CB-CE2 4.31Å; C268-Y357 HydrophobicContact CB-CG 3.83Å; C268-Y357 CarbonylContact O-C 3.58Å; C268-Y357 WeakPolarHBondContact O-CA 3.45Å; L269-Y357 WeakPolarHBondContact O-CD1 3.4Å; V348-Y357 CarbonylContact C-O 3.51Å; V348-Y357 WeakPolarHBondContact CA-O 3.24Å; C349-Y357 PolarHBondContact N-O 2.96Å; C349-Y357 PolarHBondContact O-N 2.83Å; D351-Y357 HydrophobicContact CB-CD2 3.62Å; D351-Y357 HydrophobicContact CB-CE2 3.55Å; D353-Y357 PolarHBondContact OD2-OH 3.08Å; Y357-H359 WeakPolarHBondContact CB-NE2 3.07Å; Y357-H359 PolarHBondContact O-CD2 2.87Å; Y357-H359 PolarHBondContact O-N 3.39Å; Y357-H359 VanDerWaalsContact O-N 3.16Å
358L98.1Very high91.5Very high0 Ų034.1 Ų34.10%018%0.181CC..EExtended strand (participates in β ladder)trans-8191178.5-177.667.2000111T167 I169 L182 A267 C268 P270 P346 V348 G360 V380T167-L358 HydrophobicContact CG2-CD1 4.07Å; T167-L358 HydrophobicContact CG2-CD2 3.82Å; T167-L358 HydrophobicContact CG2-CG 4.37Å; I169-L358 HydrophobicContact CG2-CD2 3.96Å; L182-L358 HydrophobicContact CB-CD2 4.18Å; L182-L358 HydrophobicContact CD2-CD2 3.59Å; L182-L358 HydrophobicContact CG-CD2 4.49Å; A267-L358 HydrophobicContact CB-CB 4.2Å; C268-L358 PolarHBondContact O-N 2.96Å; P270-L358 WeakPolarHBondContact CD-O 3.41Å; P270-L358 WeakPolarHBondContact CG-O 3.37Å; P346-L358 HydrophobicContact CB-CD1 3.74Å; V348-L358 HydrophobicContact CG1-CB 4.24Å; V348-L358 HydrophobicContact CG1-CD1 3.93Å; L358-G360 WeakPolarHBondContact CD1-O 3.28Å; L358-V380 HydrophobicContact CD2-CG2 4.39Å; L358-V380 HydrophobicContact CG-CG2 4.13Å; L358-V380 VanDerWaalsContact O-CB 3.32Å; L358-V380 WeakPolarHBondContact O-CB 3.34Å
359H97.9Very high90.5Very high13 Ų1334.9 Ų34.96%0.0619%0.187CC..EExtended strand (participates in β ladder)trans-86.2-25.4180-77.5-86.5000113.7Q274 L276 F347 Y357 V380Q274-H359 PolarHBondContact OE1-CE1 2.53Å; L276-H359 HydrophobicContact CD1-CB 4.14Å; L276-H359 VanDerWaalsContact CD1-CG 3.47Å; F347-H359 HydrophobicContact CD1-CB 4.36Å; F347-H359 PolarHBondContact O-N 3.43Å; Y357-H359 WeakPolarHBondContact CB-NE2 3.07Å; Y357-H359 PolarHBondContact O-CD2 2.87Å; Y357-H359 PolarHBondContact O-N 3.39Å; Y357-H359 VanDerWaalsContact O-N 3.16Å; H359-V380 PolarHBondContact O-N 2.9Å
360G97.9Very high89.8Confident0 Ų040.6 Ų40.60%021%0.208CC..EExtended strand (participates in β ladder)trans-140.4155.7-179.400000113.9F347 L358 T378F347-G360 PolarHBondContact N-O 2.84Å; F347-G360 PolarHBondContact O-N 2.87Å; L358-G360 WeakPolarHBondContact CD1-O 3.28Å; G360-T378 VanDerWaalsContact CA-O 3.25Å; G360-T378 WeakPolarHBondContact CA-O 3.46Å
361V98.2Very high89.4Confident0 Ų045.5 Ų45.50%023%0.226CC..EExtended strand (participates in β ladder)trans-114.6126.2167.4174.90000107.4L182 A184 S363 Y377 T378 V380L182-V361 HydrophobicContact CD2-CG2 4Å; L182-V361 HydrophobicContact CG-CG2 4.2Å; A184-V361 HydrophobicContact CB-CG1 4.12Å; V361-S363 PolarHBondContact O-N 3.21Å; V361-Y377 CarbonylContact O-C 3.49Å; V361-Y377 WeakPolarHBondContact O-CA 3.39Å; V361-T378 PolarHBondContact N-O 3.3Å; V361-T378 PolarHBondContact O-N 3Å; V361-V380 HydrophobicContact CG2-CG2 3.85Å
362V96.3Very high89.3Confident6 Ų644.2 Ų44.24%0.03623%0.225CC..EExtended strand (participates in β ladder)trans-55.2122.7177.71780000109.2V284 S338 D342 G344 G345 Y377V284-V362 HydrophobicContact CG1-CG2 3.98Å; S338-V362 WeakPolarHBondContact OG-CG1 3.11Å; D342-V362 HydrophobicContact CB-CG1 4.43Å; D342-V362 WeakPolarHBondContact O-CB 3.48Å; G344-V362 PolarHBondContact N-O 2.83Å; G345-V362 WeakPolarHBondContact O-CG2 3.13Å; G345-V362 PolarHBondContact O-N 3.38Å; V362-Y377 HydrophobicContact CB-CD1 4.4Å; V362-Y377 HydrophobicContact CB-CE1 4.33Å; V362-Y377 HydrophobicContact CG2-CD1 4.02Å; V362-Y377 HydrophobicContact CG2-CE1 3.62Å
363S95Very high89.4Confident3 Ų338.8 Ų38.82%0.02119%0.194CC..EExtended strand (participates in β ladder)trans-117.2-70.6-174.1-1780000112.1H186 D248 V361 I376H186-S363 PolarHBondContact CE1-O 3.17Å; D248-S363 WeakPolarHBondContact CB-OG 3.27Å; D248-S363 WeakPolarHBondContact OD2-CB 3.46Å; D248-S363 PolarHBondContact OD2-OG 3.02Å; V361-S363 PolarHBondContact O-N 3.21Å; S363-I376 WeakPolarHBondContact CB-O 3.32Å; S363-I376 PolarHBondContact N-O 3.04Å
364F91Very high89.6Confident28 Ų2836.4 Ų36.412%0.12318%0.181CC..EExtended strand (participates in β ladder)trans-153.4170.1-177.271.8-85.2000112.5Y245 Y317 I320 M326 I376Y245-F364 VanDerWaalsContact CB-CD1 3.47Å; Y245-F364 HydrophobicContact CD1-CB 4.17Å; Y245-F364 HydrophobicContact CD1-CD1 4.37Å; Y245-F364 HydrophobicContact CD2-CB 4.22Å; Y245-F364 HydrophobicContact CD2-CD1 4.17Å; Y245-F364 HydrophobicContact CD2-CG 4.12Å; Y245-F364 HydrophobicContact CE1-CB 4.31Å; Y245-F364 HydrophobicContact CE2-CB 4.38Å; Y245-F364 HydrophobicContact CG-CB 4.12Å; Y245-F364 AromaticContact CG-CD1 3.76Å; Y245-F364 HydrophobicContact CG-CD1 3.76Å; Y245-F364 HydrophobicContact CG-CE1 4.45Å; Y245-F364 HydrophobicContact CG-CG 4.08Å; Y317-F364 AromaticContact CD1-CE2 3.79Å; Y317-F364 HydrophobicContact CD1-CE2 3.79Å; Y317-F364 HydrophobicContact CE1-CD2 4.23Å; Y317-F364 AromaticContact CE1-CE2 3.75Å; Y317-F364 HydrophobicContact CE1-CE2 3.75Å; I320-F364 HydrophobicContact CG2-CE2 4.03Å; I320-F364 HydrophobicContact CG2-CZ 3.77Å; M326-F364 HydrophobicContact CE-CE1 3.96Å; M326-F364 HydrophobicContact CE-CZ 4.49Å; M326-F364 HydrophobicContact SD-CE1 4.22Å; M326-F364 HydrophobicContact SD-CZ 4.43Å; F364-I376 HydrophobicContact CD1-CB 3.89Å; F364-I376 HydrophobicContact CD1-CG2 3.97Å; F364-I376 HydrophobicContact CD2-CB 4.32Å; F364-I376 HydrophobicContact CD2-CG1 4.19Å; F364-I376 HydrophobicContact CE1-CB 3.63Å; F364-I376 HydrophobicContact CE1-CG1 4.09Å; F364-I376 HydrophobicContact CE1-CG2 3.33Å; F364-I376 HydrophobicContact CE2-CB 4.08Å; F364-I376 HydrophobicContact CE2-CG1 3.68Å; F364-I376 HydrophobicContact CE2-CG2 4.48Å; F364-I376 HydrophobicContact CG-CB 4.23Å; F364-I376 HydrophobicContact CZ-CB 3.73Å; F364-I376 HydrophobicContact CZ-CG1 3.62Å; F364-I376 HydrophobicContact CZ-CG2 3.64Å; F364-I376 PolarHBondContact N-O 3.42Å; F364-I376 WeakPolarHBondContact O-CA 3.35Å; F364-I376 WeakPolarHBondContact O-CB 3.5Å; F364-I376 PolarHBondContact O-N 3.22Å
365G84.8Confident89.8Confident31 Ų3132.1 Ų32.132%0.3216%0.159SC..  trans-166.3163.6170.600000110.8Y317 G367Y317-G365 VanDerWaalsContact OH-CA 3.3Å; Y317-G365 WeakPolarHBondContact OH-CA 3.44Å; G365-G367 PolarHBondContact O-N 3.05Å
366Y81.4Confident89.8Confident100 Ų10032.2 Ų32.239%0.39216%0.159SC..SBendtrans-9099.1171.1-69.6-43.8000111Y317 I320 R370Y317-Y366 AromaticContact CD1-CD2 3.6Å; Y317-Y366 HydrophobicContact CD1-CD2 3.6Å; Y317-Y366 AromaticContact CD1-CE2 3.28Å; Y317-Y366 HydrophobicContact CD1-CE2 3.28Å; Y317-Y366 AromaticContact CD1-CZ 3.97Å; Y317-Y366 HydrophobicContact CE1-CD1 4.44Å; Y317-Y366 AromaticContact CE1-CD2 3.19Å; Y317-Y366 HydrophobicContact CE1-CD2 3.19Å; Y317-Y366 AromaticContact CE1-CE2 3.39Å; Y317-Y366 HydrophobicContact CE1-CE2 3.39Å; Y317-Y366 AromaticContact CE1-CG 3.77Å; Y317-Y366 HydrophobicContact CE1-CG 3.77Å; Y317-Y366 HydrophobicContact CG-CE2 4.36Å; Y317-Y366 PolarHBondContact OH-N 3.28Å; Y317-Y366 VanDerWaalsContact OH-N 3.09Å; I320-Y366 VanDerWaalsContact CD1-OH 3.29Å; I320-Y366 WeakPolarHBondContact CD1-OH 3.4Å; Y366-R370 WeakPolarHBondContact O-CD 3.18Å
367G76Confident89.8Confident24 Ų2431.5 Ų31.525%0.24716%0.157CC..SBendtrans70.4-163.9-169.700000111.2G365G365-G367 PolarHBondContact O-N 3.05Å
368C75.9Confident89.8Confident20 Ų2030.8 Ų30.814%0.13515%0.154CC..SBendtrans-125.9124.8177.2-54.20000110.2E292 C339 R370E292-C368 HydrophobicContact CB-CB 4.44Å; C339-C368 WeakPolarHBondContact CA-SG 3.47Å; C339-C368 HydrophobicContact CB-CB 3.69Å; C339-C368 WeakPolarHBondContact CB-SG 3.31Å; C339-C368 WeakPolarHBondContact SG-CB 3.13Å; C339-C368 CovalentContact SG-SG 2.03Å; C339-C368 PolarHBondContact SG-SG 3.06Å; C368-R370 PolarHBondContact O-N 2.9Å
369A75.5Confident89.8Confident16 Ų1632.3 Ų32.313%0.13216%0.159CC..SBendtrans60.230.117600000114.1G334 G335 D337G334-A369 WeakPolarHBondContact CA-O 3.24Å; G335-A369 PolarHBondContact N-O 2.76Å; D337-A369 HydrophobicContact CB-CB 3.75Å; D337-A369 PolarHBondContact OD2-N 3.36Å; D337-A369 VanDerWaalsContact OD2-N 3.12Å
370R81.5Confident89.8Confident123 Ų12331.7 Ų31.746%0.46416%0.157SC..  trans-78.1145175.7-66.3-173.7-177.2-179.7-6.9110.5E292 Y366 C368 G372 Q373E292-R370 VanDerWaalsContact CD-NH2 3.34Å; E292-R370 IonicContact OE1-CZ 2.86Å; E292-R370 IonicContact OE1-NE 3.26Å; E292-R370 IonicContact OE1-NH2 3.75Å; E292-R370 PolarHBondContact OE1-NH2 3.05Å; E292-R370 IonicContact OE2-CZ 3.46Å; E292-R370 IonicContact OE2-NE 3.94Å; E292-R370 PolarHBondContact OE2-NE 3.05Å; E292-R370 IonicContact OE2-NH2 2.72Å; E292-R370 PolarHBondContact OE2-NH2 3.27Å; Y366-R370 WeakPolarHBondContact O-CD 3.18Å; C368-R370 PolarHBondContact O-N 2.9Å; R370-G372 PolarHBondContact O-N 2.84Å; R370-Q373 HydrophobicContact CB-CB 3.97Å; R370-Q373 HydrophobicContact CB-CG 4.14Å; R370-Q373 PolarHBondContact O-N 3.08Å
371R86Confident89.8Confident196 Ų19631.7 Ų31.774%0.7416%0.157SC*.THydrogen-bonded Turntrans-57.9133.1174.4179.2176-178.8-174-0.6110.3E332 Q373E332-R371 WeakPolarHBondContact O-CG 3.49Å; R371-Q373 PolarHBondContact O-N 2.78Å
372G87.4Confident89.8Confident24 Ų2433.4 Ų33.425%0.24717%0.171CC..THydrogen-bonded Turntrans71.95.1179.200000115.5Y312 A316 E332 R370 P374Y312-G372 WeakPolarHBondContact OH-CA 3.46Å; A316-G372 WeakPolarHBondContact CB-O 3.47Å; E332-G372 PolarHBondContact O-N 2.52Å; R370-G372 PolarHBondContact O-N 2.84Å; G372-P374 WeakPolarHBondContact O-CD 3.49Å
373Q88.6Confident89.9Confident53 Ų5333.4 Ų33.425%0.24817%0.171CC..  trans-125.977.1-176.2-59.7-62.6-12.400109.7R370 R371R370-Q373 HydrophobicContact CB-CB 3.97Å; R370-Q373 HydrophobicContact CB-CG 4.14Å; R370-Q373 PolarHBondContact O-N 3.08Å; R371-Q373 PolarHBondContact O-N 2.78Å
374P92.2Very high90Very high6 Ų634.1 Ų34.14%0.03917%0.174CC..  trans-70154.7179.530.5-35000111.2L308 Y312 Y317 C328 A329 G372L308-P374 HydrophobicContact CD1-CB 3.51Å; L308-P374 HydrophobicContact CD1-CG 3.89Å; Y312-P374 HydrophobicContact CD1-CG 4.26Å; Y312-P374 HydrophobicContact CE1-CG 3.98Å; Y317-P374 HydrophobicContact CE2-CG 4.19Å; Y317-P374 VanDerWaalsContact CE2-O 3.29Å; Y317-P374 WeakPolarHBondContact CE2-O 3.32Å; Y317-P374 PolarHBondContact OH-O 2.81Å; C328-P374 HydrophobicContact CB-CB 4.29Å; C328-P374 HydrophobicContact CB-CG 4.13Å; C328-P374 WeakPolarHBondContact SG-CG 3.22Å; A329-P374 WeakPolarHBondContact O-CB 3.47Å; G372-P374 WeakPolarHBondContact O-CD 3.49Å
375G92.4Very high90.2Very high1 Ų136.7 Ų36.71%0.0119%0.189CC..EExtended strand (participates in β ladder)trans-65.8142.3170.900000111.3C328 A329 D337 Y377C328-G375 VanDerWaalsContact CA-O 3.23Å; C328-G375 WeakPolarHBondContact CA-O 3.33Å; C328-G375 WeakPolarHBondContact CB-O 3.43Å; A329-G375 PolarHBondContact N-O 3.48Å; A329-G375 VanDerWaalsContact N-O 3.08Å; A329-G375 PolarHBondContact O-N 2.86Å; A329-G375 VanDerWaalsContact O-N 3.15Å; D337-G375 WeakPolarHBondContact OD1-CA 3.22Å; D337-G375 PolarHBondContact OD1-N 2.93Å; G375-Y377 WeakPolarHBondContact O-CD2 3.48Å; G375-Y377 VanDerWaalsContact O-CE2 3.29Å; G375-Y377 WeakPolarHBondContact O-CE2 3.4Å
376I95.7Very high90.8Very high1 Ų136 Ų361%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-106.1134.4177.7-53.3-65000109.6Y317 Y321 M326 C328 S363 F364Y317-I376 HydrophobicContact CD2-CD1 3.64Å; Y317-I376 HydrophobicContact CD2-CG1 4.08Å; Y317-I376 HydrophobicContact CE1-CG1 4.31Å; Y317-I376 HydrophobicContact CE2-CD1 3.51Å; Y317-I376 HydrophobicContact CE2-CG1 3.71Å; Y317-I376 HydrophobicContact CG-CD1 4.39Å; Y321-I376 HydrophobicContact CD2-CD1 3.78Å; Y321-I376 HydrophobicContact CE2-CD1 4.07Å; M326-I376 HydrophobicContact CB-CG2 4.05Å; M326-I376 HydrophobicContact CG-CG2 4.01Å; M326-I376 HydrophobicContact SD-CG2 3.94Å; C328-I376 HydrophobicContact CB-CD1 3.41Å; C328-I376 VanDerWaalsContact CB-CD1 3.41Å; S363-I376 WeakPolarHBondContact CB-O 3.32Å; S363-I376 PolarHBondContact N-O 3.04Å; F364-I376 HydrophobicContact CD1-CB 3.89Å; F364-I376 HydrophobicContact CD1-CG2 3.97Å; F364-I376 HydrophobicContact CD2-CB 4.32Å; F364-I376 HydrophobicContact CD2-CG1 4.19Å; F364-I376 HydrophobicContact CE1-CB 3.63Å; F364-I376 HydrophobicContact CE1-CG1 4.09Å; F364-I376 HydrophobicContact CE1-CG2 3.33Å; F364-I376 HydrophobicContact CE2-CB 4.08Å; F364-I376 HydrophobicContact CE2-CG1 3.68Å; F364-I376 HydrophobicContact CE2-CG2 4.48Å; F364-I376 HydrophobicContact CG-CB 4.23Å; F364-I376 HydrophobicContact CZ-CB 3.73Å; F364-I376 HydrophobicContact CZ-CG1 3.62Å; F364-I376 HydrophobicContact CZ-CG2 3.64Å; F364-I376 PolarHBondContact N-O 3.42Å; F364-I376 WeakPolarHBondContact O-CA 3.35Å; F364-I376 WeakPolarHBondContact O-CB 3.5Å; F364-I376 PolarHBondContact O-N 3.22Å
377Y97Very high91.5Very high0 Ų031.6 Ų31.60%016%0.159CC..EExtended strand (participates in β ladder)trans-125.2140.3-176.7-56.5-101.3000109.4V284 L305 M326 T327 A329 S338 F347 V361 V362 G375 R379V284-Y377 HydrophobicContact CG1-CE1 4.4Å; V284-Y377 HydrophobicContact CG2-CE1 3.98Å; L305-Y377 WeakPolarHBondContact CD1-OH 3.4Å; M326-Y377 CarbonylContact C-O 3.49Å; M326-Y377 VanDerWaalsContact CA-O 3.32Å; M326-Y377 WeakPolarHBondContact CA-O 3.34Å; T327-Y377 PolarHBondContact N-O 3.46Å; T327-Y377 PolarHBondContact O-N 2.71Å; A329-Y377 HydrophobicContact CB-CD2 4.33Å; A329-Y377 HydrophobicContact CB-CE2 3.83Å; S338-Y377 PolarHBondContact OG-OH 2.78Å; F347-Y377 HydrophobicContact CB-CD1 3.55Å; F347-Y377 HydrophobicContact CB-CE1 3.84Å; F347-Y377 HydrophobicContact CB-CG 4.3Å; F347-Y377 AromaticContact CD2-CD1 3.9Å; F347-Y377 HydrophobicContact CD2-CD1 3.9Å; F347-Y377 HydrophobicContact CD2-CD2 4.39Å; F347-Y377 AromaticContact CD2-CE1 3.61Å; F347-Y377 HydrophobicContact CD2-CE1 3.61Å; F347-Y377 HydrophobicContact CD2-CE2 4.19Å; F347-Y377 HydrophobicContact CD2-CG 4.3Å; F347-Y377 AromaticContact CD2-CZ 3.82Å; F347-Y377 HydrophobicContact CE2-CE2 4.43Å; F347-Y377 AromaticContact CG-CD1 3.95Å; F347-Y377 HydrophobicContact CG-CD1 3.95Å; F347-Y377 HydrophobicContact CG-CE1 4.08Å; F347-Y377 HydrophobicContact CG-CG 4.34Å; V361-Y377 CarbonylContact O-C 3.49Å; V361-Y377 WeakPolarHBondContact O-CA 3.39Å; V362-Y377 HydrophobicContact CB-CD1 4.4Å; V362-Y377 HydrophobicContact CB-CE1 4.33Å; V362-Y377 HydrophobicContact CG2-CD1 4.02Å; V362-Y377 HydrophobicContact CG2-CE1 3.62Å; G375-Y377 WeakPolarHBondContact O-CD2 3.48Å; G375-Y377 VanDerWaalsContact O-CE2 3.29Å; G375-Y377 WeakPolarHBondContact O-CE2 3.4Å; Y377-R379 PolarHBondContact O-N 2.68Å
378T98Very high92.3Very high2 Ų233.4 Ų33.41%0.01216%0.163CC..EExtended strand (participates in β ladder)trans-70.3122.6170-590000109.1D248 I249 G360 V361 V380 F383D248-T378 PolarHBondContact O-OG1 2.72Å; I249-T378 HydrophobicContact CB-CG2 4.09Å; I249-T378 HydrophobicContact CD1-CG2 4.44Å; G360-T378 VanDerWaalsContact CA-O 3.25Å; G360-T378 WeakPolarHBondContact CA-O 3.46Å; V361-T378 PolarHBondContact N-O 3.3Å; V361-T378 PolarHBondContact O-N 3Å; T378-V380 PolarHBondContact O-N 3.48Å; T378-F383 HydrophobicContact CG2-CD2 3.75Å; T378-F383 HydrophobicContact CG2-CE2 3.33Å; T378-F383 HydrophobicContact CG2-CZ 4.06Å
379R97.9Very high93.1Very high31 Ų3138.9 Ų38.912%0.11719%0.187CC..EExtended strand (participates in β ladder)trans-74.5101.4-177.7-176.2179.2-63.5-175.21.8110.5D310 P323 I325 M326 Y377 A381 A382 F383D310-R379 IonicContact OD1-NH2 3.38Å; D310-R379 PolarHBondContact OD1-NH2 3.01Å; D310-R379 IonicContact OD2-NH2 3.85Å; P323-R379 PolarHBondContact O-NH1 3.4Å; P323-R379 PolarHBondContact O-NH2 2.97Å; I325-R379 WeakPolarHBondContact O-CB 3.38Å; I325-R379 PolarHBondContact O-N 2.98Å; M326-R379 VanDerWaalsContact O-CZ 3.27Å; M326-R379 PolarHBondContact O-NE 2.97Å; M326-R379 PolarHBondContact O-NH2 3.26Å; Y377-R379 PolarHBondContact O-N 2.68Å; R379-A381 VanDerWaalsContact C-N 3.28Å; R379-A381 HydrophobicContact CG-CB 4.46Å; R379-A381 PolarHBondContact O-N 2.97Å; R379-A382 WeakPolarHBondContact O-CB 3.02Å; R379-A382 PolarHBondContact O-N 3.35Å; R379-F383 VanDerWaalsContact O-CD2 3.32Å; R379-F383 WeakPolarHBondContact O-CD2 3.36Å
380V98.2Very high93.6Very high0 Ų040.4 Ų40.40%019%0.191CC..G310 helixtrans-58.3-38.6-172.3174.60000112.8L182 L269 P270 L358 H359 V361 T378 A382 F383 M384 I387L182-V380 HydrophobicContact CD2-CG1 3.97Å; L182-V380 HydrophobicContact CD2-CG2 3.92Å; L269-V380 HydrophobicContact CD2-CG1 4.25Å; P270-V380 HydrophobicContact CG-CB 4.14Å; P270-V380 HydrophobicContact CG-CG1 3.91Å; L358-V380 HydrophobicContact CD2-CG2 4.39Å; L358-V380 HydrophobicContact CG-CG2 4.13Å; L358-V380 VanDerWaalsContact O-CB 3.32Å; L358-V380 WeakPolarHBondContact O-CB 3.34Å; H359-V380 PolarHBondContact O-N 2.9Å; V361-V380 HydrophobicContact CG2-CG2 3.85Å; T378-V380 PolarHBondContact O-N 3.48Å; V380-A382 PolarHBondContact O-N 3.28Å; V380-A382 VanDerWaalsContact O-N 3.09Å; V380-F383 PolarHBondContact O-N 3.09Å; V380-M384 HydrophobicContact CG1-SD 4.27Å; V380-M384 PolarHBondContact O-N 3.01Å; V380-I387 HydrophobicContact CG1-CD1 3.85Å
381A97.6Very high92.8Very high1 Ų140.5 Ų40.51%0.00820%0.195CC..G310 helixtrans-54.8-29.9178.200000113.7P270 D271 N273 Q274 R379 F383P270-A381 HydrophobicContact CB-CB 4.36Å; P270-A381 HydrophobicContact CG-CB 4.08Å; D271-A381 WeakPolarHBondContact O-CB 3.26Å; N273-A381 PolarHBondContact N-O 3.22Å; Q274-A381 HydrophobicContact CB-CB 4.28Å; Q274-A381 WeakPolarHBondContact O-CB 3.42Å; R379-A381 VanDerWaalsContact C-N 3.28Å; R379-A381 HydrophobicContact CG-CB 4.46Å; R379-A381 PolarHBondContact O-N 2.97Å; A381-F383 VanDerWaalsContact C-N 3.29Å; A381-F383 PolarHBondContact O-N 3.11Å
382A97.9Very high93.1Very high35 Ų3532.8 Ų32.829%0.28917%0.167SC..G310 helixtrans-76.4-15.417800000113.4G324 I325 R379 V380G324-A382 VanDerWaalsContact O-CB 3.28Å; G324-A382 WeakPolarHBondContact O-CB 3.08Å; I325-A382 HydrophobicContact CG2-CB 4.36Å; R379-A382 WeakPolarHBondContact O-CB 3.02Å; R379-A382 PolarHBondContact O-N 3.35Å; V380-A382 PolarHBondContact O-N 3.28Å; V380-A382 VanDerWaalsContact O-N 3.09Å
383F97.7Very high93.4Very high7 Ų733.2 Ų33.23%0.03116%0.163CC..G310 helixtrans-110.37.5-176.7-65.1-85.3000113.2H237 N247 I249 I325 T378 R379 V380 A381 D385 W386 I387H237-F383 AromaticContact CD2-CD1 3.7Å; H237-F383 AromaticContact CD2-CE1 3.85Å; H237-F383 AromaticContact NE2-CD1 3.85Å; H237-F383 AromaticContact NE2-CE1 3.85Å; N247-F383 HydrophobicContact CB-CE1 3.9Å; N247-F383 HydrophobicContact CB-CZ 4.11Å; N247-F383 WeakPolarHBondContact OD1-CE1 3.28Å; N247-F383 WeakPolarHBondContact OD1-CZ 3.39Å; I249-F383 HydrophobicContact CD1-CB 3.81Å; I249-F383 HydrophobicContact CD1-CD2 4.19Å; I249-F383 HydrophobicContact CD1-CG 3.99Å; I249-F383 HydrophobicContact CG2-CD1 3.77Å; I249-F383 HydrophobicContact CG2-CE1 4.03Å; I249-F383 HydrophobicContact CG2-CG 4.06Å; I325-F383 HydrophobicContact CB-CE2 3.93Å; I325-F383 HydrophobicContact CB-CZ 3.88Å; I325-F383 HydrophobicContact CG2-CE2 4.26Å; I325-F383 HydrophobicContact CG2-CZ 3.98Å; T378-F383 HydrophobicContact CG2-CD2 3.75Å; T378-F383 HydrophobicContact CG2-CE2 3.33Å; T378-F383 HydrophobicContact CG2-CZ 4.06Å; R379-F383 VanDerWaalsContact O-CD2 3.32Å; R379-F383 WeakPolarHBondContact O-CD2 3.36Å; V380-F383 PolarHBondContact O-N 3.09Å; A381-F383 VanDerWaalsContact C-N 3.29Å; A381-F383 PolarHBondContact O-N 3.11Å; F383-D385 VanDerWaalsContact C-N 3.3Å; F383-D385 PolarHBondContact O-N 2.89Å; F383-W386 PolarHBondContact O-N 3.24Å; F383-I387 HydrophobicContact CB-CD1 4.24Å; F383-I387 HydrophobicContact CB-CG1 4.4Å; F383-I387 WeakPolarHBondContact O-CG1 3.14Å; F383-I387 PolarHBondContact O-N 3.45Å
384M97.1Very high93.7Very high17 Ų1732.1 Ų32.18%0.08416%0.159CC..Hα-helixtrans-58-37.5-175.6-73.7-57.1-6500113.6L269 P270 K272 V380 I387 N388L269-M384 HydrophobicContact CB-CE 3.8Å; L269-M384 HydrophobicContact CB-SD 4.15Å; L269-M384 HydrophobicContact CD1-CE 4.07Å; L269-M384 HydrophobicContact CD2-SD 4.43Å; L269-M384 HydrophobicContact CG-CE 4.45Å; P270-M384 HydrophobicContact CG-SD 4.45Å; P270-M384 WeakPolarHBondContact O-CE 3.29Å; K272-M384 HydrophobicContact CB-CB 4.15Å; K272-M384 HydrophobicContact CG-CB 4.4Å; V380-M384 HydrophobicContact CG1-SD 4.27Å; V380-M384 PolarHBondContact O-N 3.01Å; M384-I387 HydrophobicContact SD-CD1 4.17Å; M384-N388 VanDerWaalsContact O-CB 3.29Å; M384-N388 WeakPolarHBondContact O-CB 3.3Å; M384-N388 PolarHBondContact O-N 3.15Å; M384-N388 PolarHBondContact O-ND2 2.86Å
385D95.8Very high93.8Very high83 Ų8333.6 Ų33.644%0.44417%0.166SC..Hα-helixtrans-61.7-46174.2-71.8-16.3000111.4K272 F383 N388 Q389K272-D385 WeakPolarHBondContact CD-OD1 3.28Å; K272-D385 VanDerWaalsContact CE-OD1 3.26Å; K272-D385 WeakPolarHBondContact CE-OD1 3.29Å; K272-D385 VanDerWaalsContact CE-OD2 3.23Å; K272-D385 WeakPolarHBondContact CE-OD2 3.18Å; K272-D385 IonicContact NZ-OD1 2.77Å; K272-D385 PolarHBondContact NZ-OD1 2.98Å; K272-D385 IonicContact NZ-OD2 2.63Å; K272-D385 PolarHBondContact NZ-OD2 3.4Å; F383-D385 VanDerWaalsContact C-N 3.3Å; F383-D385 PolarHBondContact O-N 2.89Å; D385-N388 PolarHBondContact O-N 2.98Å; D385-Q389 WeakPolarHBondContact O-CG 3.44Å; D385-Q389 PolarHBondContact O-N 3.1Å
386W96.6Very high93.9Very high17 Ų1735.7 Ų35.76%0.06418%0.175CC..Hα-helixtrans-67.9-43.3-179.6174.886.2000111.8Y235 H237 I249 V251 F383 N388 Q389 K390Y235-W386 WeakPolarHBondContact O-CH2 3.37Å; H237-W386 HydrophobicContact CB-CH2 4.49Å; H237-W386 HydrophobicContact CB-CZ2 4.09Å; H237-W386 AromaticContact CD2-CD1 3.6Å; H237-W386 AromaticContact CD2-CD2 3.58Å; H237-W386 AromaticContact CD2-CE2 3.68Å; H237-W386 AromaticContact CD2-CG 3.56Å; H237-W386 AromaticContact CD2-NE1 3.64Å; H237-W386 AromaticContact NE2-CD1 3.9Å; H237-W386 AromaticContact NE2-CG 3.97Å; I249-W386 HydrophobicContact CB-CZ3 4.46Å; I249-W386 HydrophobicContact CD1-CZ3 4.27Å; I249-W386 HydrophobicContact CG1-CZ3 4.05Å; I249-W386 HydrophobicContact CG2-CE3 4.17Å; I249-W386 HydrophobicContact CG2-CH2 4.25Å; I249-W386 HydrophobicContact CG2-CZ3 3.79Å; V251-W386 HydrophobicContact CB-CH2 4.38Å; V251-W386 HydrophobicContact CG2-CH2 3.82Å; V251-W386 HydrophobicContact CG2-CZ3 3.67Å; F383-W386 PolarHBondContact O-N 3.24Å; W386-N388 VanDerWaalsContact C-N 3.28Å; W386-N388 PolarHBondContact O-N 2.94Å; W386-Q389 PolarHBondContact O-N 3.25Å; W386-Q389 VanDerWaalsContact O-N 3.1Å; W386-K390 HydrophobicContact CZ2-CG 4.33Å
387I96.2Very high93.8Very high6 Ų638 Ų383%0.03119%0.187CC..Hα-helixtrans-57.8-45175.5-66.7168.2000109.6I169 L182 I249 L269 V380 F383 M384 Q389 K390I169-I387 HydrophobicContact CD1-CG2 4Å; L182-I387 HydrophobicContact CD1-CD1 4.06Å; L182-I387 HydrophobicContact CD1-CG1 4.09Å; L182-I387 HydrophobicContact CD2-CD1 4Å; I249-I387 HydrophobicContact CD1-CD1 4.18Å; I249-I387 HydrophobicContact CD1-CG1 4.5Å; L269-I387 HydrophobicContact CD1-CG2 4.37Å; V380-I387 HydrophobicContact CG1-CD1 3.85Å; F383-I387 HydrophobicContact CB-CD1 4.24Å; F383-I387 HydrophobicContact CB-CG1 4.4Å; F383-I387 WeakPolarHBondContact O-CG1 3.14Å; F383-I387 PolarHBondContact O-N 3.45Å; M384-I387 HydrophobicContact SD-CD1 4.17Å; I387-Q389 PolarHBondContact O-N 3.4Å; I387-K390 PolarHBondContact O-N 3.23Å; I387-K390 VanDerWaalsContact O-N 3.15Å
388N93.4Very high93.5Very high62 Ų6240.7 Ų40.733%0.33220%0.2SC..Hα-helixtrans-66.4-18.8179.4-82.8-48.1000114.4M384 D385 W386 K391M384-N388 VanDerWaalsContact O-CB 3.29Å; M384-N388 WeakPolarHBondContact O-CB 3.3Å; M384-N388 PolarHBondContact O-N 3.15Å; M384-N388 PolarHBondContact O-ND2 2.86Å; D385-N388 PolarHBondContact O-N 2.98Å; W386-N388 VanDerWaalsContact C-N 3.28Å; W386-N388 PolarHBondContact O-N 2.94Å; N388-K391 VanDerWaalsContact O-CD 3.3Å; N388-K391 WeakPolarHBondContact O-CD 3.23Å; N388-K391 WeakPolarHBondContact O-CE 3.26Å; N388-K391 VanDerWaalsContact O-CG 3.27Å; N388-K391 WeakPolarHBondContact O-CG 3.35Å; N388-K391 WeakPolarHBondContact OD1-CE 3.42Å; N388-K391 PolarHBondContact OD1-NZ 3.16Å
389Q92Very high93.2Very high135 Ų13543.7 Ų43.763%0.63121%0.214SC*.Hα-helixtrans-84.7-14175.6-70.4169.220.200113.5D385 W386 I387 K391D385-Q389 WeakPolarHBondContact O-CG 3.44Å; D385-Q389 PolarHBondContact O-N 3.1Å; W386-Q389 PolarHBondContact O-N 3.25Å; W386-Q389 VanDerWaalsContact O-N 3.1Å; I387-Q389 PolarHBondContact O-N 3.4Å; Q389-K391 VanDerWaalsContact C-N 3.28Å; Q389-K391 PolarHBondContact O-N 3.42Å
390K85.9Confident92.8Very high49 Ų4944.8 Ų44.821%0.21322%0.222CC..  trans-92.620.8-176.3-54.9-47.1171.9-160.40114.1Y180 Y235 V251 W386 I387Y180-K390 WeakPolarHBondContact CE1-O 3.27Å; Y235-K390 HydrophobicContact CD1-CD 3.94Å; Y235-K390 HydrophobicContact CD2-CB 4.48Å; Y235-K390 HydrophobicContact CE1-CD 4.48Å; Y235-K390 HydrophobicContact CG-CB 4.45Å; Y235-K390 HydrophobicContact CG-CD 4.17Å; Y235-K390 HydrophobicContact CG-CG 4.31Å; V251-K390 HydrophobicContact CB-CB 4.46Å; V251-K390 HydrophobicContact CG1-CB 4.37Å; W386-K390 HydrophobicContact CZ2-CG 4.33Å; I387-K390 PolarHBondContact O-N 3.23Å; I387-K390 VanDerWaalsContact O-N 3.15Å
391K65.4Low92.3Very high125 Ų12548.8 Ų48.854%0.54324%0.243SC..  trans-65.90177-59.7-176.2-174.7-171.50110L171 Y180 K253 N388 Q389L171-K391 HydrophobicContact CD1-CD 3.5Å; L171-K391 HydrophobicContact CD1-CG 3.57Å; L171-K391 VanDerWaalsContact CD2-CE 3.47Å; Y180-K391 PolarHBondContact OH-OXT 2.63Å; K253-K391 PolarHBondContact NZ-OXT 2.77Å; N388-K391 VanDerWaalsContact O-CD 3.3Å; N388-K391 WeakPolarHBondContact O-CD 3.23Å; N388-K391 WeakPolarHBondContact O-CE 3.26Å; N388-K391 VanDerWaalsContact O-CG 3.27Å; N388-K391 WeakPolarHBondContact O-CG 3.35Å; N388-K391 WeakPolarHBondContact OD1-CE 3.42Å; N388-K391 PolarHBondContact OD1-NZ 3.16Å; Q389-K391 VanDerWaalsContact C-N 3.28Å; Q389-K391 PolarHBondContact O-N 3.42Å

Retrieved 391 of 391 residues in 699.8 ms (Link to these results)

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