A0A087YP81_POEFO Loading...

MORN repeat-containing protein 5

AlphaFold DB , UniProt , Accession A0A087YP81, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 178 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M46.3Very low72.2Confident207 Ų207112.2 Ų112.2100%1.0258%0.578SS**  0116.60-82.3179.2170.600106.6
2E49.5Very low73.6Confident159 Ų159111.5 Ų111.574%0.74357%0.574SS**  trans-92.399.1168.6-74.2176.2152.600106.4
3L47.2Very low74.6Confident120 Ų120112.8 Ų112.863%0.62857%0.573SS**SBendtrans-128.896.1169.9-104.1108.7000106.4N6L3-N6 PolarHBondContact N-OD1 3.35Å; L3-N6 VanDerWaalsContact O-CG 3.25Å; L3-N6 PolarHBondContact O-ND2 3.18Å; L3-N6 VanDerWaalsContact O-ND2 3.09Å; L3-N6 PolarHBondContact O-OD1 2.76Å
4I57.2Low75.5Confident145 Ų145117.4 Ų117.474%0.74459%0.591SS**SBendtrans84.663.2176.2-38.9149.3000112.8N6 P26I4-N6 PolarHBondContact O-N 2.85Å; I4-P26 WeakPolarHBondContact O-CG 3.27Å
5G66.5Low76Confident59 Ų59114.5 Ų114.561%0.60860%0.602SS**SBendtrans601.3168.200000116.7
6N79.3Confident76.8Confident33 Ų33115.6 Ų115.618%0.17660%0.595CS.*  trans-91.2138.5179.754.12.4000109.3L3 I4 Y23 T24L3-N6 PolarHBondContact N-OD1 3.35Å; L3-N6 VanDerWaalsContact O-CG 3.25Å; L3-N6 PolarHBondContact O-ND2 3.18Å; L3-N6 VanDerWaalsContact O-ND2 3.09Å; L3-N6 PolarHBondContact O-OD1 2.76Å; I4-N6 PolarHBondContact O-N 2.85Å; N6-Y23 HydrophobicContact CB-CE2 4.41Å; N6-Y23 WeakPolarHBondContact CB-OH 3.24Å; N6-Y23 PolarHBondContact ND2-OH 3.27Å; N6-T24 VanDerWaalsContact CA-O 3.27Å; N6-T24 WeakPolarHBondContact CA-O 3.23Å
7R87.8Confident77.6Confident155 Ų155111 Ų11159%0.58557%0.571SS**EExtended strand (participates in β ladder)trans-126.1123.6-178.4-66.1170.861.5-135-0.7108.2T24R7-T24 PolarHBondContact N-O 2.97Å; R7-T24 PolarHBondContact O-N 3.29Å
8Y89.8Confident78.5Confident49 Ų49108.2 Ų108.219%0.19256%0.555CS.*EExtended strand (participates in β ladder)trans-113.1133.6175.4178.1-111.8000110.7G10 N11 I12 M17 E22 Y23 I35Y8-G10 WeakPolarHBondContact OH-CA 3.28Å; Y8-N11 WeakPolarHBondContact CE1-O 3.22Å; Y8-N11 PolarHBondContact OH-N 3.02Å; Y8-N11 PolarHBondContact OH-O 2.82Å; Y8-I12 HydrophobicContact CD1-CD1 4.16Å; Y8-I12 HydrophobicContact CD1-CG1 4.05Å; Y8-I12 HydrophobicContact CE1-CD1 4.37Å; Y8-I12 HydrophobicContact CE1-CG1 3.75Å; Y8-M17 HydrophobicContact CD1-CB 4.33Å; Y8-M17 HydrophobicContact CD1-CG 3.63Å; Y8-M17 HydrophobicContact CD1-SD 3.88Å; Y8-M17 HydrophobicContact CD2-CG 4.18Å; Y8-M17 HydrophobicContact CD2-SD 3.51Å; Y8-M17 VanDerWaalsContact CD2-SD 3.51Å; Y8-M17 HydrophobicContact CE1-CB 3.8Å; Y8-M17 HydrophobicContact CE1-CG 3.62Å; Y8-M17 HydrophobicContact CE1-SD 4.25Å; Y8-M17 HydrophobicContact CE2-CB 4.18Å; Y8-M17 HydrophobicContact CE2-CG 4.21Å; Y8-M17 HydrophobicContact CE2-SD 3.97Å; Y8-M17 HydrophobicContact CG-CG 3.89Å; Y8-M17 HydrophobicContact CG-SD 3.46Å; Y8-E22 CarbonylContact C-O 3.34Å; Y8-E22 WeakPolarHBondContact CA-O 3.37Å; Y8-E22 WeakPolarHBondContact CD2-O 3.35Å; Y8-Y23 HydrophobicContact CD2-CD2 4.16Å; Y8-I35 HydrophobicContact CD2-CD1 4.25Å; Y8-I35 HydrophobicContact CE2-CD1 3.43Å; Y8-I35 VanDerWaalsContact CE2-CD1 3.43Å
9K91.9Very high79.3Confident157 Ų157104.1 Ų104.168%0.68354%0.542SS*.EExtended strand (participates in β ladder)trans-128.9104.8174.4-175.8-177-179-175.90108.9G21 E22K9-G21 WeakPolarHBondContact O-CA 3.3Å; K9-E22 HydrophobicContact CB-CB 4.31Å; K9-E22 PolarHBondContact N-O 2.91Å; K9-E22 PolarHBondContact O-N 2.89Å
10G90.3Very high80.1Confident36 Ų36106.3 Ų106.337%0.37154%0.544SS..EExtended strand (participates in β ladder)trans170.5-169.6179.200000111Y8Y8-G10 WeakPolarHBondContact OH-CA 3.28Å
11N89Confident80.8Confident114 Ų114101.3 Ų101.361%0.6152%0.52SS*.EExtended strand (participates in β ladder)trans-75.5145.6179.4-61.4-43.4000110.7Y8 E18Y8-N11 WeakPolarHBondContact CE1-O 3.22Å; Y8-N11 PolarHBondContact OH-N 3.02Å; Y8-N11 PolarHBondContact OH-O 2.82Å; N11-E18 CarbonylContact C-O 3.55Å; N11-E18 VanDerWaalsContact CB-O 3.3Å; N11-E18 WeakPolarHBondContact CB-O 3.28Å; N11-E18 PolarHBondContact O-N 2.88Å; N11-E18 VanDerWaalsContact O-O 3.06Å
12I88.6Confident83.1Confident104 Ų10494 Ų9453%0.53348%0.483SS..EExtended strand (participates in β ladder)trans-127.5125.8176.2-59.3176.1000107.3Y8 R16Y8-I12 HydrophobicContact CD1-CD1 4.16Å; Y8-I12 HydrophobicContact CD1-CG1 4.05Å; Y8-I12 HydrophobicContact CE1-CD1 4.37Å; Y8-I12 HydrophobicContact CE1-CG1 3.75Å; I12-R16 CarbonylContact C-O 3.45Å; I12-R16 VanDerWaalsContact CA-O 3.27Å; I12-R16 WeakPolarHBondContact CA-O 3.32Å; I12-R16 WeakPolarHBondContact CG2-O 3.07Å
13K86.6Confident85.2Confident128 Ų12888.2 Ų88.256%0.55746%0.455SS*.EExtended strand (participates in β ladder)trans-125.2127.5178.1-169.7176178.2-178.70109.4G15 R16 E18K13-G15 PolarHBondContact O-N 2.8Å; K13-G15 VanDerWaalsContact O-N 3.16Å; K13-R16 PolarHBondContact N-O 2.84Å; K13-R16 PolarHBondContact O-N 2.83Å; K13-E18 HydrophobicContact CB-CB 4.07Å; K13-E18 HydrophobicContact CB-CG 4.37Å
14H87.1Confident87.4Confident178 Ų17883.3 Ų83.382%0.82443%0.429SS*.THydrogen-bonded Turntrans51.436.1-176.8-52.1132000114.3R16H14-R16 VanDerWaalsContact C-N 3.25Å; H14-R16 PolarHBondContact O-N 3.4Å
15G83.7Confident89Confident73 Ų7379.2 Ų79.275%0.75341%0.406SS*.THydrogen-bonded Turntrans76.36.3-178.300000115K13K13-G15 PolarHBondContact O-N 2.8Å; K13-G15 VanDerWaalsContact O-N 3.16Å
16R88.2Confident90.1Very high132 Ų13280.2 Ų80.250%0.49840%0.402SS..EExtended strand (participates in β ladder)trans-113.7146175.6-61.3-174.4180178.4-5110.8I12 K13 H14 D37I12-R16 CarbonylContact C-O 3.45Å; I12-R16 VanDerWaalsContact CA-O 3.27Å; I12-R16 WeakPolarHBondContact CA-O 3.32Å; I12-R16 WeakPolarHBondContact CG2-O 3.07Å; K13-R16 PolarHBondContact N-O 2.84Å; K13-R16 PolarHBondContact O-N 2.83Å; H14-R16 VanDerWaalsContact C-N 3.25Å; H14-R16 PolarHBondContact O-N 3.4Å; R16-D37 WeakPolarHBondContact CD-OD1 3.33Å; R16-D37 IonicContact CZ-OD1 3.9Å; R16-D37 IonicContact CZ-OD2 2.68Å; R16-D37 IonicContact NE-OD1 3.98Å; R16-D37 IonicContact NH1-OD1 2.94Å; R16-D37 PolarHBondContact NH1-OD1 2.76Å; R16-D37 IonicContact NH1-OD2 3.13Å; R16-D37 PolarHBondContact NH1-OD2 3.22Å
17M90.4Very high90.5Very high38 Ų3883.2 Ų83.219%0.18742%0.422CS..EExtended strand (participates in β ladder)trans-70.1131.8176.4-55.6175.8-66.700109Y8 Y23 I35 G38Y8-M17 HydrophobicContact CD1-CB 4.33Å; Y8-M17 HydrophobicContact CD1-CG 3.63Å; Y8-M17 HydrophobicContact CD1-SD 3.88Å; Y8-M17 HydrophobicContact CD2-CG 4.18Å; Y8-M17 HydrophobicContact CD2-SD 3.51Å; Y8-M17 VanDerWaalsContact CD2-SD 3.51Å; Y8-M17 HydrophobicContact CE1-CB 3.8Å; Y8-M17 HydrophobicContact CE1-CG 3.62Å; Y8-M17 HydrophobicContact CE1-SD 4.25Å; Y8-M17 HydrophobicContact CE2-CB 4.18Å; Y8-M17 HydrophobicContact CE2-CG 4.21Å; Y8-M17 HydrophobicContact CE2-SD 3.97Å; Y8-M17 HydrophobicContact CG-CG 3.89Å; Y8-M17 HydrophobicContact CG-SD 3.46Å; M17-Y23 HydrophobicContact CE-CD2 4.12Å; M17-Y23 HydrophobicContact CE-CE2 4.16Å; M17-Y23 HydrophobicContact SD-CD2 3.71Å; M17-Y23 HydrophobicContact SD-CE2 4.04Å; M17-I35 HydrophobicContact CB-CG2 3.69Å; M17-I35 WeakPolarHBondContact O-CG2 3.46Å; M17-G38 VanDerWaalsContact CE-O 3.26Å; M17-G38 WeakPolarHBondContact CE-O 3.3Å; M17-G38 PolarHBondContact O-N 2.8Å
18E93.7Very high90.6Very high60 Ų6081.1 Ų81.128%0.2842%0.422SS..EExtended strand (participates in β ladder)trans-145.7148.7-172.3-16272.8-172.200110.8N11 K13 I35 D37N11-E18 CarbonylContact C-O 3.55Å; N11-E18 VanDerWaalsContact CB-O 3.3Å; N11-E18 WeakPolarHBondContact CB-O 3.28Å; N11-E18 PolarHBondContact O-N 2.88Å; N11-E18 VanDerWaalsContact O-O 3.06Å; K13-E18 HydrophobicContact CB-CB 4.07Å; K13-E18 HydrophobicContact CB-CG 4.37Å; E18-I35 CarbonylContact C-O 3.27Å; E18-I35 WeakPolarHBondContact CA-O 3.42Å; E18-D37 PolarHBondContact OE2-N 3.16Å
19G93.3Very high90.8Very high30 Ų3079.8 Ų79.831%0.30942%0.419SS..EExtended strand (participates in β ladder)trans74.2-158.3179.500000112.9I35G19-I35 PolarHBondContact N-O 3.07Å; G19-I35 PolarHBondContact O-N 2.78Å
20Y95.3Very high90.9Very high148 Ų14875.3 Ų75.358%0.5840%0.4SS*.EExtended strand (participates in β ladder)trans-76.2129.8179-169.2-93.9000111V32 G33Y20-V32 HydrophobicContact CE1-CG1 3.95Å; Y20-V32 VanDerWaalsContact OH-CG1 3.24Å; Y20-V32 WeakPolarHBondContact OH-CG1 3.12Å; Y20-G33 WeakPolarHBondContact CA-O 3.28Å
21G94.4Very high91.2Very high3 Ų373.6 Ų73.63%0.03138%0.382CS..EExtended strand (participates in β ladder)trans-156.7168.3-176.500000114.1K9 V32 G33K9-G21 WeakPolarHBondContact O-CA 3.3Å; G21-V32 WeakPolarHBondContact O-CA 3.22Å; G21-G33 PolarHBondContact N-O 2.92Å; G21-G33 PolarHBondContact O-N 2.66Å
22E95.8Very high91.6Very high52 Ų5269 Ų6924%0.24336%0.358CS..EExtended strand (participates in β ladder)trans-116.2122176.6168.3176.4158.900109.2Y8 K9 K30 Y31 V32Y8-E22 CarbonylContact C-O 3.34Å; Y8-E22 WeakPolarHBondContact CA-O 3.37Å; Y8-E22 WeakPolarHBondContact CD2-O 3.35Å; K9-E22 HydrophobicContact CB-CB 4.31Å; K9-E22 PolarHBondContact N-O 2.91Å; K9-E22 PolarHBondContact O-N 2.89Å; E22-K30 HydrophobicContact CG-CD 3.9Å; E22-K30 HydrophobicContact CG-CG 3.99Å; E22-K30 WeakPolarHBondContact OE1-CD 3.43Å; E22-K30 WeakPolarHBondContact OE1-CE 3.3Å; E22-K30 IonicContact OE1-NZ 2.72Å; E22-K30 PolarHBondContact OE1-NZ 3.43Å; E22-K30 WeakPolarHBondContact OE2-CE 3.41Å; E22-K30 IonicContact OE2-NZ 2.89Å; E22-K30 PolarHBondContact OE2-NZ 2.84Å; E22-Y31 CarbonylContact C-O 3.48Å; E22-Y31 VanDerWaalsContact CA-O 3.25Å; E22-Y31 WeakPolarHBondContact CA-O 3.46Å; E22-V32 HydrophobicContact CB-CG2 4.39Å; E22-V32 HydrophobicContact CG-CG2 4.29Å
23Y93.3Very high91.9Very high39 Ų3964.1 Ų64.115%0.15333%0.333CS..EExtended strand (participates in β ladder)trans-118.7115.2177.6-174.9-86.2000110N6 Y8 M17 F25 K30 Y31 F40N6-Y23 HydrophobicContact CB-CE2 4.41Å; N6-Y23 WeakPolarHBondContact CB-OH 3.24Å; N6-Y23 PolarHBondContact ND2-OH 3.27Å; Y8-Y23 HydrophobicContact CD2-CD2 4.16Å; M17-Y23 HydrophobicContact CE-CD2 4.12Å; M17-Y23 HydrophobicContact CE-CE2 4.16Å; M17-Y23 HydrophobicContact SD-CD2 3.71Å; M17-Y23 HydrophobicContact SD-CE2 4.04Å; Y23-F25 HydrophobicContact CD1-CD1 4.23Å; Y23-F25 HydrophobicContact CD1-CD2 4.03Å; Y23-F25 HydrophobicContact CD1-CE1 4.1Å; Y23-F25 AromaticContact CD1-CE2 3.89Å; Y23-F25 HydrophobicContact CD1-CE2 3.89Å; Y23-F25 HydrophobicContact CD1-CG 4.2Å; Y23-F25 AromaticContact CD1-CZ 3.94Å; Y23-F25 HydrophobicContact CD1-CZ 3.94Å; Y23-F25 AromaticContact CE1-CD1 3.67Å; Y23-F25 HydrophobicContact CE1-CD1 3.67Å; Y23-F25 HydrophobicContact CE1-CD2 4.28Å; Y23-F25 AromaticContact CE1-CE1 3.68Å; Y23-F25 HydrophobicContact CE1-CE1 3.68Å; Y23-F25 HydrophobicContact CE1-CE2 4.29Å; Y23-F25 AromaticContact CE1-CG 3.99Å; Y23-F25 HydrophobicContact CE1-CG 3.99Å; Y23-F25 HydrophobicContact CE1-CZ 4.01Å; Y23-K30 CarbonylContact O-C 3.53Å; Y23-K30 WeakPolarHBondContact O-CA 3.47Å; Y23-Y31 PolarHBondContact N-O 2.92Å; Y23-Y31 PolarHBondContact O-N 2.82Å; Y23-F40 HydrophobicContact CD1-CE1 4.41Å; Y23-F40 HydrophobicContact CD1-CZ 4.08Å; Y23-F40 HydrophobicContact CG-CE1 4.24Å; Y23-F40 HydrophobicContact CG-CZ 4.35Å
24T93.9Very high92.4Very high16 Ų1661 Ų6110%0.09832%0.323CS..EExtended strand (participates in β ladder)trans-95.9122.2175.2-52.30000109.3N6 R7N6-T24 VanDerWaalsContact CA-O 3.27Å; N6-T24 WeakPolarHBondContact CA-O 3.23Å; R7-T24 PolarHBondContact N-O 2.97Å; R7-T24 PolarHBondContact O-N 3.29Å
25F90.9Very high92.8Very high60 Ų6052.7 Ų52.726%0.26328%0.284SS..  trans-75.7159.4174.1-69.1-87.9000111Y23 T27 D28 T29 F40 L46Y23-F25 HydrophobicContact CD1-CD1 4.23Å; Y23-F25 HydrophobicContact CD1-CD2 4.03Å; Y23-F25 HydrophobicContact CD1-CE1 4.1Å; Y23-F25 AromaticContact CD1-CE2 3.89Å; Y23-F25 HydrophobicContact CD1-CE2 3.89Å; Y23-F25 HydrophobicContact CD1-CG 4.2Å; Y23-F25 AromaticContact CD1-CZ 3.94Å; Y23-F25 HydrophobicContact CD1-CZ 3.94Å; Y23-F25 AromaticContact CE1-CD1 3.67Å; Y23-F25 HydrophobicContact CE1-CD1 3.67Å; Y23-F25 HydrophobicContact CE1-CD2 4.28Å; Y23-F25 AromaticContact CE1-CE1 3.68Å; Y23-F25 HydrophobicContact CE1-CE1 3.68Å; Y23-F25 HydrophobicContact CE1-CE2 4.29Å; Y23-F25 AromaticContact CE1-CG 3.99Å; Y23-F25 HydrophobicContact CE1-CG 3.99Å; Y23-F25 HydrophobicContact CE1-CZ 4.01Å; F25-T27 PolarHBondContact O-N 2.93Å; F25-T27 VanDerWaalsContact O-N 3.1Å; F25-D28 PolarHBondContact O-N 2.72Å; F25-T29 WeakPolarHBondContact CB-O 2.89Å; F25-T29 HydrophobicContact CD2-CG2 4.24Å; F25-T29 WeakPolarHBondContact CD2-O 3.29Å; F25-T29 PolarHBondContact N-O 2.75Å; F25-F40 HydrophobicContact CE2-CE2 4.03Å; F25-F40 AromaticContact CE2-CZ 3.83Å; F25-F40 HydrophobicContact CE2-CZ 3.83Å; F25-F40 AromaticContact CZ-CE2 3.63Å; F25-F40 HydrophobicContact CZ-CE2 3.63Å; F25-F40 AromaticContact CZ-CZ 3.51Å; F25-F40 HydrophobicContact CZ-CZ 3.51Å; F25-L46 HydrophobicContact CE2-CD2 3.89Å
26P89Confident93.2Very high80 Ų8054 Ų5452%0.51927%0.27SS..THydrogen-bonded Turntrans-60.8-18.4173.2-2435.7000114.2I4 D28I4-P26 WeakPolarHBondContact O-CG 3.27Å; P26-D28 PolarHBondContact O-N 3.43Å
27T87.2Confident93.4Very high96 Ų9651.3 Ų51.359%0.58927%0.265SS*.THydrogen-bonded Turntrans-83.910.417557.70000113.2F25 T29F25-T27 PolarHBondContact O-N 2.93Å; F25-T27 VanDerWaalsContact O-N 3.1Å; T27-T29 PolarHBondContact O-N 3.11Å; T27-T29 PolarHBondContact OG1-OG1 2.99Å
28D89.4Confident93.4Very high111 Ų11150.8 Ų50.859%0.59427%0.269SS*.SBendtrans58.76.4-171.2-65.7-49.4000115.3F25 P26 I49F25-D28 PolarHBondContact O-N 2.72Å; P26-D28 PolarHBondContact O-N 3.43Å; D28-I49 HydrophobicContact CB-CD1 4.24Å
29T93.8Very high93.4Very high21 Ų2152.1 Ų52.113%0.12927%0.274CS..  trans-66.7141.7166.1-57.60000108.5F25 T27 L46 Y47 F48F25-T29 WeakPolarHBondContact CB-O 2.89Å; F25-T29 HydrophobicContact CD2-CG2 4.24Å; F25-T29 WeakPolarHBondContact CD2-O 3.29Å; F25-T29 PolarHBondContact N-O 2.75Å; T27-T29 PolarHBondContact O-N 3.11Å; T27-T29 PolarHBondContact OG1-OG1 2.99Å; T29-L46 HydrophobicContact CG2-CD2 4.23Å; T29-Y47 CarbonylContact C-O 3.59Å; T29-Y47 WeakPolarHBondContact CA-O 3.49Å; T29-Y47 WeakPolarHBondContact CG2-O 3.24Å; T29-F48 HydrophobicContact CG2-CD1 3.87Å; T29-F48 HydrophobicContact CG2-CE1 4.11Å
30K95.4Very high93.4Very high62 Ų6251.9 Ų51.927%0.2727%0.265SS..EExtended strand (participates in β ladder)trans-126.7127-175.2167.4175156.4165.20110.9E22 Y23 V32 L46 Y47E22-K30 HydrophobicContact CG-CD 3.9Å; E22-K30 HydrophobicContact CG-CG 3.99Å; E22-K30 WeakPolarHBondContact OE1-CD 3.43Å; E22-K30 WeakPolarHBondContact OE1-CE 3.3Å; E22-K30 IonicContact OE1-NZ 2.72Å; E22-K30 PolarHBondContact OE1-NZ 3.43Å; E22-K30 WeakPolarHBondContact OE2-CE 3.41Å; E22-K30 IonicContact OE2-NZ 2.89Å; E22-K30 PolarHBondContact OE2-NZ 2.84Å; Y23-K30 CarbonylContact O-C 3.53Å; Y23-K30 WeakPolarHBondContact O-CA 3.47Å; K30-V32 HydrophobicContact CD-CG2 4.19Å; K30-V32 HydrophobicContact CG-CG2 3.92Å; K30-L46 CarbonylContact O-C 3.54Å; K30-L46 WeakPolarHBondContact O-CA 3.26Å; K30-Y47 HydrophobicContact CG-CD2 4.48Å; K30-Y47 PolarHBondContact N-O 3.38Å; K30-Y47 WeakPolarHBondContact O-CD2 3.45Å; K30-Y47 PolarHBondContact O-N 2.81Å
31Y96.1Very high93.5Very high0 Ų047.5 Ų47.50%025%0.25CC..EExtended strand (participates in β ladder)trans-92.7137.3166.8177.1-97.2000110E22 Y23 D34 I35 F40 H41 V45 L46 W58E22-Y31 CarbonylContact C-O 3.48Å; E22-Y31 VanDerWaalsContact CA-O 3.25Å; E22-Y31 WeakPolarHBondContact CA-O 3.46Å; Y23-Y31 PolarHBondContact N-O 2.92Å; Y23-Y31 PolarHBondContact O-N 2.82Å; Y31-D34 PolarHBondContact OH-O 3.17Å; Y31-I35 HydrophobicContact CD1-CD1 4.27Å; Y31-I35 HydrophobicContact CD1-CG1 4.34Å; Y31-I35 HydrophobicContact CE1-CD1 4.17Å; Y31-I35 HydrophobicContact CE1-CG1 3.75Å; Y31-F40 VanDerWaalsContact CB-CZ 3.44Å; Y31-F40 AromaticContact CD1-CD1 3.45Å; Y31-F40 HydrophobicContact CD1-CD1 3.45Å; Y31-F40 VanDerWaalsContact CD1-CD1 3.45Å; Y31-F40 HydrophobicContact CD1-CD2 4.37Å; Y31-F40 AromaticContact CD1-CE1 3.41Å; Y31-F40 HydrophobicContact CD1-CE1 3.41Å; Y31-F40 VanDerWaalsContact CD1-CE1 3.41Å; Y31-F40 HydrophobicContact CD1-CE2 4.31Å; Y31-F40 AromaticContact CD1-CG 3.98Å; Y31-F40 HydrophobicContact CD1-CG 3.98Å; Y31-F40 AromaticContact CD1-CZ 3.86Å; Y31-F40 HydrophobicContact CD1-CZ 3.86Å; Y31-F40 HydrophobicContact CD2-CD1 4.17Å; Y31-F40 AromaticContact CD2-CD2 3.59Å; Y31-F40 HydrophobicContact CD2-CD2 3.59Å; Y31-F40 HydrophobicContact CD2-CE1 4.26Å; Y31-F40 AromaticContact CD2-CE2 3.66Å; Y31-F40 HydrophobicContact CD2-CE2 3.66Å; Y31-F40 AromaticContact CD2-CG 3.86Å; Y31-F40 HydrophobicContact CD2-CG 3.86Å; Y31-F40 HydrophobicContact CD2-CZ 4.02Å; Y31-F40 HydrophobicContact CE1-CB 4.18Å; Y31-F40 AromaticContact CE1-CD1 3.46Å; Y31-F40 HydrophobicContact CE1-CD1 3.46Å; Y31-F40 VanDerWaalsContact CE1-CD1 3.46Å; Y31-F40 AromaticContact CE1-CE1 3.94Å; Y31-F40 HydrophobicContact CE1-CE1 3.94Å; Y31-F40 AromaticContact CE1-CG 3.81Å; Y31-F40 HydrophobicContact CE1-CG 3.81Å; Y31-F40 HydrophobicContact CE2-CB 3.88Å; Y31-F40 HydrophobicContact CE2-CD1 4.16Å; Y31-F40 AromaticContact CE2-CD2 3.74Å; Y31-F40 HydrophobicContact CE2-CD2 3.74Å; Y31-F40 HydrophobicContact CE2-CE2 4.29Å; Y31-F40 AromaticContact CE2-CG 3.67Å; Y31-F40 HydrophobicContact CE2-CG 3.67Å; Y31-F40 AromaticContact CG-CD1 3.81Å; Y31-F40 HydrophobicContact CG-CD1 3.81Å; Y31-F40 AromaticContact CG-CD2 3.91Å; Y31-F40 HydrophobicContact CG-CD2 3.91Å; Y31-F40 AromaticContact CG-CE1 3.58Å; Y31-F40 HydrophobicContact CG-CE1 3.58Å; Y31-F40 AromaticContact CG-CE2 3.66Å; Y31-F40 HydrophobicContact CG-CE2 3.66Å; Y31-F40 AromaticContact CG-CG 3.99Å; Y31-F40 HydrophobicContact CG-CG 3.99Å; Y31-F40 AromaticContact CG-CZ 3.5Å; Y31-F40 HydrophobicContact CG-CZ 3.5Å; Y31-F40 VanDerWaalsContact CG-CZ 3.5Å; Y31-F40 AromaticContact CZ-CD1 3.82Å; Y31-F40 AromaticContact CZ-CG 3.63Å; Y31-H41 PolarHBondContact OH-O 2.94Å; Y31-V45 CarbonylContact C-O 3.57Å; Y31-V45 WeakPolarHBondContact CA-O 3.46Å; Y31-L46 HydrophobicContact CD2-CD2 4Å; Y31-L46 HydrophobicContact CD2-CG 4.27Å; Y31-L46 HydrophobicContact CG-CD2 4.4Å; Y31-W58 AromaticContact CE2-CD1 3.86Å; Y31-W58 HydrophobicContact CE2-CD2 4.14Å; Y31-W58 AromaticContact CE2-CE2 3.77Å; Y31-W58 HydrophobicContact CE2-CG 4.22Å; Y31-W58 HydrophobicContact CE2-CZ2 4.31Å; Y31-W58 AromaticContact CE2-NE1 3.59Å
32V96.8Very high93.5Very high18 Ų1848.4 Ų48.411%0.10926%0.258CS..EExtended strand (participates in β ladder)trans-134.4119.4169.4-172.30000108.4Y20 G21 E22 K30 G44 V45 Y47Y20-V32 HydrophobicContact CE1-CG1 3.95Å; Y20-V32 VanDerWaalsContact OH-CG1 3.24Å; Y20-V32 WeakPolarHBondContact OH-CG1 3.12Å; G21-V32 WeakPolarHBondContact O-CA 3.22Å; E22-V32 HydrophobicContact CB-CG2 4.39Å; E22-V32 HydrophobicContact CG-CG2 4.29Å; K30-V32 HydrophobicContact CD-CG2 4.19Å; K30-V32 HydrophobicContact CG-CG2 3.92Å; V32-G44 CarbonylContact O-C 3.51Å; V32-G44 WeakPolarHBondContact O-CA 3.36Å; V32-V45 PolarHBondContact N-O 3.19Å; V32-V45 PolarHBondContact O-N 3.06Å; V32-Y47 HydrophobicContact CB-CE2 3.96Å; V32-Y47 HydrophobicContact CG2-CD2 4Å; V32-Y47 HydrophobicContact CG2-CE2 3.67Å
33G96.6Very high93.6Very high1 Ų153.5 Ų53.51%0.0128%0.28CS..EExtended strand (participates in β ladder)trans168.4-167.2-177.400000113Y20 G21 K43Y20-G33 WeakPolarHBondContact CA-O 3.28Å; G21-G33 PolarHBondContact N-O 2.92Å; G21-G33 PolarHBondContact O-N 2.66Å; G33-K43 VanDerWaalsContact CA-O 3.24Å; G33-K43 WeakPolarHBondContact CA-O 3.36Å
34D95.8Very high93.7Very high63 Ų6351.9 Ų51.934%0.33728%0.275SS..EExtended strand (participates in β ladder)trans-72.8144.7174.7-49.6-66.3000110.9Y31 H41 K43Y31-D34 PolarHBondContact OH-O 3.17Å; D34-H41 CarbonylContact C-O 3.54Å; D34-H41 VanDerWaalsContact C-O 3.27Å; D34-H41 VanDerWaalsContact CB-O 3.23Å; D34-H41 WeakPolarHBondContact CB-O 3.5Å; D34-H41 PolarHBondContact O-N 2.68Å; D34-K43 PolarHBondContact N-O 2.98Å; D34-K43 VanDerWaalsContact N-O 3.11Å; D34-K43 PolarHBondContact OD2-N 2.94Å
35I94.9Very high93.9Very high4 Ų452.6 Ų52.62%0.02128%0.279CS..EExtended strand (participates in β ladder)trans-135.9136.3179.4-57.4179.9000107.2Y8 M17 E18 G19 Y31 K39 F40Y8-I35 HydrophobicContact CD2-CD1 4.25Å; Y8-I35 HydrophobicContact CE2-CD1 3.43Å; Y8-I35 VanDerWaalsContact CE2-CD1 3.43Å; M17-I35 HydrophobicContact CB-CG2 3.69Å; M17-I35 WeakPolarHBondContact O-CG2 3.46Å; E18-I35 CarbonylContact C-O 3.27Å; E18-I35 WeakPolarHBondContact CA-O 3.42Å; G19-I35 PolarHBondContact N-O 3.07Å; G19-I35 PolarHBondContact O-N 2.78Å; Y31-I35 HydrophobicContact CD1-CD1 4.27Å; Y31-I35 HydrophobicContact CD1-CG1 4.34Å; Y31-I35 HydrophobicContact CE1-CD1 4.17Å; Y31-I35 HydrophobicContact CE1-CG1 3.75Å; I35-K39 CarbonylContact C-O 3.56Å; I35-K39 VanDerWaalsContact CA-O 3.29Å; I35-K39 WeakPolarHBondContact CA-O 3.4Å; I35-K39 VanDerWaalsContact CG2-O 3.27Å; I35-K39 WeakPolarHBondContact CG2-O 3.35Å; I35-F40 HydrophobicContact CD1-CD1 4.43Å; I35-F40 HydrophobicContact CG1-CD1 4.24Å
36K93.6Very high94.2Very high101 Ų10150.8 Ų50.844%0.43927%0.272SS..EExtended strand (participates in β ladder)trans-138.4129.7179.3-172.4-179.6178.9-174.30108.9G38 K39 H41K36-G38 PolarHBondContact O-N 2.76Å; K36-K39 PolarHBondContact N-O 3.46Å; K36-K39 PolarHBondContact O-N 2.97Å; K36-H41 HydrophobicContact CB-CB 3.76Å
37D91.7Very high94.5Very high74 Ų7451 Ų5140%0.39626%0.263SS..THydrogen-bonded Turntrans55.133.4178.7-152.637.6000114.2R16 E18 K39R16-D37 WeakPolarHBondContact CD-OD1 3.33Å; R16-D37 IonicContact CZ-OD1 3.9Å; R16-D37 IonicContact CZ-OD2 2.68Å; R16-D37 IonicContact NE-OD1 3.98Å; R16-D37 IonicContact NH1-OD1 2.94Å; R16-D37 PolarHBondContact NH1-OD1 2.76Å; R16-D37 IonicContact NH1-OD2 3.13Å; R16-D37 PolarHBondContact NH1-OD2 3.22Å; E18-D37 PolarHBondContact OE2-N 3.16Å; D37-K39 VanDerWaalsContact C-N 3.3Å; D37-K39 PolarHBondContact O-N 3Å
38G90.1Very high94.9Very high28 Ų2849.7 Ų49.729%0.28925%0.25SC..THydrogen-bonded Turntrans79.63.8-176.400000115.5M17 K36M17-G38 VanDerWaalsContact CE-O 3.26Å; M17-G38 WeakPolarHBondContact CE-O 3.3Å; M17-G38 PolarHBondContact O-N 2.8Å; K36-G38 PolarHBondContact O-N 2.76Å
39K93.3Very high95.2Very high88 Ų8850.9 Ų50.938%0.38326%0.255SS..EExtended strand (participates in β ladder)trans-116.8151.7179.4-59.6-179.4-173.6174.80111.5I35 K36 D37 H41 E60I35-K39 CarbonylContact C-O 3.56Å; I35-K39 VanDerWaalsContact CA-O 3.29Å; I35-K39 WeakPolarHBondContact CA-O 3.4Å; I35-K39 VanDerWaalsContact CG2-O 3.27Å; I35-K39 WeakPolarHBondContact CG2-O 3.35Å; K36-K39 PolarHBondContact N-O 3.46Å; K36-K39 PolarHBondContact O-N 2.97Å; D37-K39 VanDerWaalsContact C-N 3.3Å; D37-K39 PolarHBondContact O-N 3Å; K39-H41 PolarHBondContact O-N 3.13Å; K39-E60 HydrophobicContact CD-CB 4.3Å; K39-E60 WeakPolarHBondContact CD-OE2 3.14Å; K39-E60 IonicContact NZ-OE2 3.32Å; K39-E60 PolarHBondContact NZ-OE2 3.06Å
40F95Very high95.1Very high25 Ų2554.8 Ų54.811%0.1127%0.274CS..EExtended strand (participates in β ladder)trans-63.9133173.2-56.9-19.6000110.1Y23 F25 Y31 I35 L46 W58 G61Y23-F40 HydrophobicContact CD1-CE1 4.41Å; Y23-F40 HydrophobicContact CD1-CZ 4.08Å; Y23-F40 HydrophobicContact CG-CE1 4.24Å; Y23-F40 HydrophobicContact CG-CZ 4.35Å; F25-F40 HydrophobicContact CE2-CE2 4.03Å; F25-F40 AromaticContact CE2-CZ 3.83Å; F25-F40 HydrophobicContact CE2-CZ 3.83Å; F25-F40 AromaticContact CZ-CE2 3.63Å; F25-F40 HydrophobicContact CZ-CE2 3.63Å; F25-F40 AromaticContact CZ-CZ 3.51Å; F25-F40 HydrophobicContact CZ-CZ 3.51Å; Y31-F40 VanDerWaalsContact CB-CZ 3.44Å; Y31-F40 AromaticContact CD1-CD1 3.45Å; Y31-F40 HydrophobicContact CD1-CD1 3.45Å; Y31-F40 VanDerWaalsContact CD1-CD1 3.45Å; Y31-F40 HydrophobicContact CD1-CD2 4.37Å; Y31-F40 AromaticContact CD1-CE1 3.41Å; Y31-F40 HydrophobicContact CD1-CE1 3.41Å; Y31-F40 VanDerWaalsContact CD1-CE1 3.41Å; Y31-F40 HydrophobicContact CD1-CE2 4.31Å; Y31-F40 AromaticContact CD1-CG 3.98Å; Y31-F40 HydrophobicContact CD1-CG 3.98Å; Y31-F40 AromaticContact CD1-CZ 3.86Å; Y31-F40 HydrophobicContact CD1-CZ 3.86Å; Y31-F40 HydrophobicContact CD2-CD1 4.17Å; Y31-F40 AromaticContact CD2-CD2 3.59Å; Y31-F40 HydrophobicContact CD2-CD2 3.59Å; Y31-F40 HydrophobicContact CD2-CE1 4.26Å; Y31-F40 AromaticContact CD2-CE2 3.66Å; Y31-F40 HydrophobicContact CD2-CE2 3.66Å; Y31-F40 AromaticContact CD2-CG 3.86Å; Y31-F40 HydrophobicContact CD2-CG 3.86Å; Y31-F40 HydrophobicContact CD2-CZ 4.02Å; Y31-F40 HydrophobicContact CE1-CB 4.18Å; Y31-F40 AromaticContact CE1-CD1 3.46Å; Y31-F40 HydrophobicContact CE1-CD1 3.46Å; Y31-F40 VanDerWaalsContact CE1-CD1 3.46Å; Y31-F40 AromaticContact CE1-CE1 3.94Å; Y31-F40 HydrophobicContact CE1-CE1 3.94Å; Y31-F40 AromaticContact CE1-CG 3.81Å; Y31-F40 HydrophobicContact CE1-CG 3.81Å; Y31-F40 HydrophobicContact CE2-CB 3.88Å; Y31-F40 HydrophobicContact CE2-CD1 4.16Å; Y31-F40 AromaticContact CE2-CD2 3.74Å; Y31-F40 HydrophobicContact CE2-CD2 3.74Å; Y31-F40 HydrophobicContact CE2-CE2 4.29Å; Y31-F40 AromaticContact CE2-CG 3.67Å; Y31-F40 HydrophobicContact CE2-CG 3.67Å; Y31-F40 AromaticContact CG-CD1 3.81Å; Y31-F40 HydrophobicContact CG-CD1 3.81Å; Y31-F40 AromaticContact CG-CD2 3.91Å; Y31-F40 HydrophobicContact CG-CD2 3.91Å; Y31-F40 AromaticContact CG-CE1 3.58Å; Y31-F40 HydrophobicContact CG-CE1 3.58Å; Y31-F40 AromaticContact CG-CE2 3.66Å; Y31-F40 HydrophobicContact CG-CE2 3.66Å; Y31-F40 AromaticContact CG-CG 3.99Å; Y31-F40 HydrophobicContact CG-CG 3.99Å; Y31-F40 AromaticContact CG-CZ 3.5Å; Y31-F40 HydrophobicContact CG-CZ 3.5Å; Y31-F40 VanDerWaalsContact CG-CZ 3.5Å; Y31-F40 AromaticContact CZ-CD1 3.82Å; Y31-F40 AromaticContact CZ-CG 3.63Å; I35-F40 HydrophobicContact CD1-CD1 4.43Å; I35-F40 HydrophobicContact CG1-CD1 4.24Å; F40-L46 HydrophobicContact CE2-CD2 4.44Å; F40-W58 HydrophobicContact CB-CB 4.01Å; F40-W58 HydrophobicContact CB-CD2 4.07Å; F40-W58 HydrophobicContact CB-CE3 4.08Å; F40-W58 HydrophobicContact CB-CG 4.04Å; F40-W58 HydrophobicContact CD2-CD2 4.45Å; F40-W58 HydrophobicContact CD2-CE3 4.09Å; F40-W58 HydrophobicContact CD2-CZ3 4.19Å; F40-G61 PolarHBondContact O-N 2.8Å
41H96.4Very high94.9Very high56 Ų5653.7 Ų53.726%0.25928%0.281SS..EExtended strand (participates in β ladder)trans-144.9164.3-176.9-158.666000109.9Y31 D34 K36 K39 W58Y31-H41 PolarHBondContact OH-O 2.94Å; D34-H41 CarbonylContact C-O 3.54Å; D34-H41 VanDerWaalsContact C-O 3.27Å; D34-H41 VanDerWaalsContact CB-O 3.23Å; D34-H41 WeakPolarHBondContact CB-O 3.5Å; D34-H41 PolarHBondContact O-N 2.68Å; K36-H41 HydrophobicContact CB-CB 3.76Å; K39-H41 PolarHBondContact O-N 3.13Å; H41-W58 CarbonylContact C-O 3.27Å; H41-W58 VanDerWaalsContact C-O 3.27Å; H41-W58 VanDerWaalsContact CA-O 3.22Å; H41-W58 WeakPolarHBondContact CA-O 3.37Å
42G95.3Very high94.9Very high21 Ų2153.8 Ų53.822%0.21628%0.282CS..EExtended strand (participates in β ladder)trans60.5-142.1174.200000113T57 W58G42-T57 CarbonylContact O-C 3.49Å; G42-T57 VanDerWaalsContact O-CA 3.28Å; G42-T57 WeakPolarHBondContact O-CA 3.35Å; G42-W58 PolarHBondContact N-O 2.87Å; G42-W58 PolarHBondContact O-N 3.06Å
43K96.4Very high94.9Very high160 Ų16057.1 Ų57.170%0.69630%0.295SS*.EExtended strand (participates in β ladder)trans-91.3131.7-178.3-68.7-176.9179.2-178.20110G33 D34G33-K43 VanDerWaalsContact CA-O 3.24Å; G33-K43 WeakPolarHBondContact CA-O 3.36Å; D34-K43 PolarHBondContact N-O 2.98Å; D34-K43 VanDerWaalsContact N-O 3.11Å; D34-K43 PolarHBondContact OD2-N 2.94Å
44G96.8Very high94.9Very high5 Ų560 Ų605%0.05231%0.306CS..EExtended strand (participates in β ladder)trans-154.8156.6179.900000114V32 A56 W58V32-G44 CarbonylContact O-C 3.51Å; V32-G44 WeakPolarHBondContact O-CA 3.36Å; G44-A56 PolarHBondContact N-O 2.82Å; G44-A56 PolarHBondContact O-N 2.87Å; G44-W58 PolarHBondContact O-NE1 2.82Å
45V97.7Very high95Very high31 Ų3161.3 Ų61.319%0.18831%0.308CS..EExtended strand (participates in β ladder)trans-126.6125.2-179.8-172.70000109.4Y31 V32 Y47 K53 Y54 K55Y31-V45 CarbonylContact C-O 3.57Å; Y31-V45 WeakPolarHBondContact CA-O 3.46Å; V32-V45 PolarHBondContact N-O 3.19Å; V32-V45 PolarHBondContact O-N 3.06Å; V45-Y47 HydrophobicContact CB-CD2 4.48Å; V45-Y47 HydrophobicContact CB-CE2 3.76Å; V45-Y47 HydrophobicContact CG1-CD2 4.2Å; V45-Y47 HydrophobicContact CG1-CE1 4.28Å; V45-Y47 HydrophobicContact CG1-CE2 3.7Å; V45-K53 HydrophobicContact CG1-CB 4.11Å; V45-Y54 CarbonylContact C-O 3.56Å; V45-Y54 WeakPolarHBondContact CA-O 3.42Å; V45-K55 HydrophobicContact CG1-CG 4.11Å; V45-K55 HydrophobicContact CG2-CB 4.42Å; V45-K55 HydrophobicContact CG2-CG 4.04Å
46L96.7Very high95.1Very high22 Ų2261.6 Ų61.612%0.11531%0.311CS..EExtended strand (participates in β ladder)trans-86.9133.1164.6-74171.5000109.7F25 T29 K30 Y31 F40 F48 K53 Y54 W58F25-L46 HydrophobicContact CE2-CD2 3.89Å; T29-L46 HydrophobicContact CG2-CD2 4.23Å; K30-L46 CarbonylContact O-C 3.54Å; K30-L46 WeakPolarHBondContact O-CA 3.26Å; Y31-L46 HydrophobicContact CD2-CD2 4Å; Y31-L46 HydrophobicContact CD2-CG 4.27Å; Y31-L46 HydrophobicContact CG-CD2 4.4Å; F40-L46 HydrophobicContact CE2-CD2 4.44Å; L46-F48 HydrophobicContact CB-CE2 4.36Å; L46-F48 HydrophobicContact CB-CZ 4.28Å; L46-F48 HydrophobicContact CD1-CZ 4.43Å; L46-K53 CarbonylContact O-C 3.56Å; L46-K53 WeakPolarHBondContact O-CA 3.27Å; L46-Y54 HydrophobicContact CD1-CD1 4.45Å; L46-Y54 PolarHBondContact N-O 3.04Å; L46-Y54 PolarHBondContact O-N 3.43Å; L46-W58 HydrophobicContact CD1-CH2 3.47Å; L46-W58 VanDerWaalsContact CD1-CH2 3.47Å; L46-W58 HydrophobicContact CD1-CZ2 3.77Å; L46-W58 HydrophobicContact CG-CH2 4.06Å; L46-W58 HydrophobicContact CG-CZ2 3.9Å
47Y96.8Very high95.2Very high84 Ų8459.2 Ų59.233%0.32931%0.305SS..EExtended strand (participates in β ladder)trans-111.2118.2174.7-63.8-94.9000107.8T29 K30 V32 V45 K53T29-Y47 CarbonylContact C-O 3.59Å; T29-Y47 WeakPolarHBondContact CA-O 3.49Å; T29-Y47 WeakPolarHBondContact CG2-O 3.24Å; K30-Y47 HydrophobicContact CG-CD2 4.48Å; K30-Y47 PolarHBondContact N-O 3.38Å; K30-Y47 WeakPolarHBondContact O-CD2 3.45Å; K30-Y47 PolarHBondContact O-N 2.81Å; V32-Y47 HydrophobicContact CB-CE2 3.96Å; V32-Y47 HydrophobicContact CG2-CD2 4Å; V32-Y47 HydrophobicContact CG2-CE2 3.67Å; V45-Y47 HydrophobicContact CB-CD2 4.48Å; V45-Y47 HydrophobicContact CB-CE2 3.76Å; V45-Y47 HydrophobicContact CG1-CD2 4.2Å; V45-Y47 HydrophobicContact CG1-CE1 4.28Å; V45-Y47 HydrophobicContact CG1-CE2 3.7Å; Y47-K53 HydrophobicContact CD1-CD 3.79Å; Y47-K53 HydrophobicContact CD1-CG 3.75Å; Y47-K53 HydrophobicContact CE1-CD 3.61Å; Y47-K53 HydrophobicContact CE1-CG 4.07Å
48F95.4Very high95.5Very high69 Ų6956.5 Ų56.530%0.30329%0.289SS..  trans-92.2155177.9-60.3-79.4000110.7T29 L46 N50 G51 S52 F68T29-F48 HydrophobicContact CG2-CD1 3.87Å; T29-F48 HydrophobicContact CG2-CE1 4.11Å; L46-F48 HydrophobicContact CB-CE2 4.36Å; L46-F48 HydrophobicContact CB-CZ 4.28Å; L46-F48 HydrophobicContact CD1-CZ 4.43Å; F48-N50 WeakPolarHBondContact CB-OD1 3.25Å; F48-N50 PolarHBondContact O-N 2.84Å; F48-G51 PolarHBondContact O-N 3.02Å; F48-S52 WeakPolarHBondContact CD2-O 3.47Å; F48-S52 PolarHBondContact N-O 2.97Å; F48-F68 HydrophobicContact CD2-CE2 4.15Å; F48-F68 HydrophobicContact CE2-CD2 4.39Å; F48-F68 AromaticContact CE2-CE2 3.8Å; F48-F68 HydrophobicContact CE2-CE2 3.8Å
49I94.3Very high95.7Very high136 Ų13660.4 Ų60.470%0.69730%0.3SS*.THydrogen-bonded Turntrans-61.4-28.6-179.1-162.7166.4000113.2D28 G51D28-I49 HydrophobicContact CB-CD1 4.24Å; I49-G51 PolarHBondContact O-N 2.85Å
50N91.4Very high95.8Very high102 Ų10260.7 Ų60.755%0.54530%0.303SS..THydrogen-bonded Turntrans-74.81.3177.269.9-0.3000113.6F48 S52 P71F48-N50 WeakPolarHBondContact CB-OD1 3.25Å; F48-N50 PolarHBondContact O-N 2.84Å; N50-S52 VanDerWaalsContact C-N 3.33Å; N50-S52 VanDerWaalsContact CG-OG 3.29Å; N50-S52 PolarHBondContact ND2-OG 2.75Å; N50-S52 WeakPolarHBondContact OD1-CB 3.42Å; N50-S52 PolarHBondContact OD1-N 3.4Å; N50-S52 PolarHBondContact OD1-OG 3.34Å; N50-P71 WeakPolarHBondContact O-CG 3.41Å
51G92.6Very high95.6Very high39 Ų3961.1 Ų61.140%0.40231%0.314SS..SBendtrans89.2-9-177.800000114.6F48 I49F48-G51 PolarHBondContact O-N 3.02Å; I49-G51 PolarHBondContact O-N 2.85Å
52S95.1Very high95.5Very high3 Ų364.1 Ų64.12%0.02133%0.331CS..  trans-69.4158.1175-47.70000110.6F48 N50 V69 P71F48-S52 WeakPolarHBondContact CD2-O 3.47Å; F48-S52 PolarHBondContact N-O 2.97Å; N50-S52 VanDerWaalsContact C-N 3.33Å; N50-S52 VanDerWaalsContact CG-OG 3.29Å; N50-S52 PolarHBondContact ND2-OG 2.75Å; N50-S52 WeakPolarHBondContact OD1-CB 3.42Å; N50-S52 PolarHBondContact OD1-N 3.4Å; N50-S52 PolarHBondContact OD1-OG 3.34Å; S52-V69 CarbonylContact C-O 3.59Å; S52-V69 VanDerWaalsContact CA-O 3.32Å; S52-V69 WeakPolarHBondContact CA-O 3.46Å; S52-V69 WeakPolarHBondContact CB-O 3.13Å; S52-P71 WeakPolarHBondContact OG-CD 3.32Å; S52-P71 WeakPolarHBondContact OG-CG 3.42Å
53K97.3Very high95.4Very high87 Ų8764.7 Ų64.738%0.37833%0.333SS..EExtended strand (participates in β ladder)trans-135.5146.9179.6-56.7172.1-170.9168.60110.2V45 L46 Y47 V69V45-K53 HydrophobicContact CG1-CB 4.11Å; L46-K53 CarbonylContact O-C 3.56Å; L46-K53 WeakPolarHBondContact O-CA 3.27Å; Y47-K53 HydrophobicContact CD1-CD 3.79Å; Y47-K53 HydrophobicContact CD1-CG 3.75Å; Y47-K53 HydrophobicContact CE1-CD 3.61Å; Y47-K53 HydrophobicContact CE1-CG 4.07Å; K53-V69 HydrophobicContact CB-CB 4.39Å; K53-V69 PolarHBondContact N-O 3.38Å; K53-V69 PolarHBondContact O-N 3.21Å
54Y97.1Very high95.4Very high62 Ų6261.2 Ų61.224%0.24333%0.326CS..EExtended strand (participates in β ladder)trans-122107171.5-176.4-107.8000108.9V45 L46 A56 W58 A63 F68V45-Y54 CarbonylContact C-O 3.56Å; V45-Y54 WeakPolarHBondContact CA-O 3.42Å; L46-Y54 HydrophobicContact CD1-CD1 4.45Å; L46-Y54 PolarHBondContact N-O 3.04Å; L46-Y54 PolarHBondContact O-N 3.43Å; Y54-A56 HydrophobicContact CD1-CB 3.98Å; Y54-A56 HydrophobicContact CE1-CB 3.53Å; Y54-W58 HydrophobicContact CD1-CH2 4.32Å; Y54-W58 HydrophobicContact CD1-CZ2 4.04Å; Y54-W58 HydrophobicContact CE1-CH2 4.39Å; Y54-W58 HydrophobicContact CE1-CZ2 4.29Å; Y54-A63 HydrophobicContact CE1-CB 3.77Å; Y54-F68 HydrophobicContact CD2-CB 4.12Å; Y54-F68 HydrophobicContact CD2-CD2 4.19Å
55K96.8Very high95.2Very high91 Ų9166.4 Ų66.440%0.39635%0.352SS..EExtended strand (participates in β ladder)trans-90.4122.4178.5-59.3174-172.1162.40107.4V45 G66 T67 V69 E75V45-K55 HydrophobicContact CG1-CG 4.11Å; V45-K55 HydrophobicContact CG2-CB 4.42Å; V45-K55 HydrophobicContact CG2-CG 4.04Å; K55-G66 CarbonylContact O-C 3.56Å; K55-G66 WeakPolarHBondContact O-CA 3.35Å; K55-T67 PolarHBondContact N-O 2.91Å; K55-T67 PolarHBondContact O-N 2.8Å; K55-V69 HydrophobicContact CD-CG2 4.21Å; K55-V69 HydrophobicContact CG-CG2 4.46Å; K55-E75 IonicContact NZ-OE1 2.66Å; K55-E75 PolarHBondContact NZ-OE1 2.91Å
56A97Very high95.1Very high9 Ų966.1 Ų66.17%0.07436%0.355CS..EExtended strand (participates in β ladder)trans-148.2161.8-178.600000113.2G44 Y54 W58 A63 D65G44-A56 PolarHBondContact N-O 2.82Å; G44-A56 PolarHBondContact O-N 2.87Å; Y54-A56 HydrophobicContact CD1-CB 3.98Å; Y54-A56 HydrophobicContact CE1-CB 3.53Å; A56-W58 HydrophobicContact CB-CZ2 4.06Å; A56-W58 PolarHBondContact O-NE1 3.47Å; A56-A63 HydrophobicContact CB-CB 4.01Å; A56-D65 CarbonylContact C-O 3.45Å; A56-D65 WeakPolarHBondContact CA-O 3.32Å; A56-D65 VanDerWaalsContact CB-O 3.28Å; A56-D65 WeakPolarHBondContact CB-O 3.11Å
57T97.1Very high95Very high51 Ų5167.5 Ų67.531%0.31337%0.365SS..EExtended strand (participates in β ladder)trans-92.1129.9161.9-54.40000108.6G42 V64 D65G42-T57 CarbonylContact O-C 3.49Å; G42-T57 VanDerWaalsContact O-CA 3.28Å; G42-T57 WeakPolarHBondContact O-CA 3.35Å; T57-V64 PolarHBondContact O-N 2.81Å; T57-D65 PolarHBondContact N-O 3.37Å
58W96.5Very high95Very high18 Ų1866.2 Ų66.27%0.06836%0.361CS..EExtended strand (participates in β ladder)trans-113.8137.5-172.5-57.881.6000110.8Y31 F40 H41 G42 G44 L46 Y54 A56 I62 A63Y31-W58 AromaticContact CE2-CD1 3.86Å; Y31-W58 HydrophobicContact CE2-CD2 4.14Å; Y31-W58 AromaticContact CE2-CE2 3.77Å; Y31-W58 HydrophobicContact CE2-CG 4.22Å; Y31-W58 HydrophobicContact CE2-CZ2 4.31Å; Y31-W58 AromaticContact CE2-NE1 3.59Å; F40-W58 HydrophobicContact CB-CB 4.01Å; F40-W58 HydrophobicContact CB-CD2 4.07Å; F40-W58 HydrophobicContact CB-CE3 4.08Å; F40-W58 HydrophobicContact CB-CG 4.04Å; F40-W58 HydrophobicContact CD2-CD2 4.45Å; F40-W58 HydrophobicContact CD2-CE3 4.09Å; F40-W58 HydrophobicContact CD2-CZ3 4.19Å; H41-W58 CarbonylContact C-O 3.27Å; H41-W58 VanDerWaalsContact C-O 3.27Å; H41-W58 VanDerWaalsContact CA-O 3.22Å; H41-W58 WeakPolarHBondContact CA-O 3.37Å; G42-W58 PolarHBondContact N-O 2.87Å; G42-W58 PolarHBondContact O-N 3.06Å; G44-W58 PolarHBondContact O-NE1 2.82Å; L46-W58 HydrophobicContact CD1-CH2 3.47Å; L46-W58 VanDerWaalsContact CD1-CH2 3.47Å; L46-W58 HydrophobicContact CD1-CZ2 3.77Å; L46-W58 HydrophobicContact CG-CH2 4.06Å; L46-W58 HydrophobicContact CG-CZ2 3.9Å; Y54-W58 HydrophobicContact CD1-CH2 4.32Å; Y54-W58 HydrophobicContact CD1-CZ2 4.04Å; Y54-W58 HydrophobicContact CE1-CH2 4.39Å; Y54-W58 HydrophobicContact CE1-CZ2 4.29Å; A56-W58 HydrophobicContact CB-CZ2 4.06Å; A56-W58 PolarHBondContact O-NE1 3.47Å; W58-I62 CarbonylContact C-O 3.45Å; W58-I62 VanDerWaalsContact CA-O 3.3Å; W58-I62 WeakPolarHBondContact CA-O 3.47Å; W58-A63 HydrophobicContact CD2-CB 4.37Å; W58-A63 HydrophobicContact CE3-CB 4.02Å; W58-A63 HydrophobicContact CH2-CB 4.02Å; W58-A63 HydrophobicContact CZ2-CB 4.38Å; W58-A63 HydrophobicContact CZ3-CB 3.85Å
59E95.8Very high95Very high109 Ų10963.5 Ų63.551%0.50935%0.35SS..EExtended strand (participates in β ladder)trans-133.2121.3172.6-68.9-175-179.700109.2G61 I62 V64E59-G61 PolarHBondContact O-N 2.95Å; E59-I62 PolarHBondContact N-O 3.01Å; E59-I62 WeakPolarHBondContact O-CB 3.39Å; E59-I62 PolarHBondContact O-N 3.48Å; E59-V64 HydrophobicContact CB-CG2 3.74Å; E59-V64 HydrophobicContact CG-CG2 3.66Å
60E93.6Very high94.9Very high94 Ų9460.4 Ų60.444%0.43933%0.332SS..THydrogen-bonded Turntrans50.334.7-179-62.9-63.412600114.3K39K39-E60 HydrophobicContact CD-CB 4.3Å; K39-E60 WeakPolarHBondContact CD-OE2 3.14Å; K39-E60 IonicContact NZ-OE2 3.32Å; K39-E60 PolarHBondContact NZ-OE2 3.06Å
61G91.8Very high95Very high34 Ų3459.3 Ų59.335%0.35133%0.33SS..THydrogen-bonded Turntrans85.80.1-178.500000115.4F40 E59F40-G61 PolarHBondContact O-N 2.8Å; E59-G61 PolarHBondContact O-N 2.95Å
62I93.3Very high94.7Very high120 Ų12060.1 Ų60.162%0.61533%0.325SS*.EExtended strand (participates in β ladder)trans-103.8132.9179.4-56.5174.5000109W58 E59 V64W58-I62 CarbonylContact C-O 3.45Å; W58-I62 VanDerWaalsContact CA-O 3.3Å; W58-I62 WeakPolarHBondContact CA-O 3.47Å; E59-I62 PolarHBondContact N-O 3.01Å; E59-I62 WeakPolarHBondContact O-CB 3.39Å; E59-I62 PolarHBondContact O-N 3.48Å; I62-V64 PolarHBondContact O-N 2.94Å
63A94.9Very high94.4Very high32 Ų3261.6 Ų61.626%0.26434%0.341SS..EExtended strand (participates in β ladder)trans-74.7117.6171.500000109.7Y54 A56 W58Y54-A63 HydrophobicContact CE1-CB 3.77Å; A56-A63 HydrophobicContact CB-CB 4.01Å; W58-A63 HydrophobicContact CD2-CB 4.37Å; W58-A63 HydrophobicContact CE3-CB 4.02Å; W58-A63 HydrophobicContact CH2-CB 4.02Å; W58-A63 HydrophobicContact CZ2-CB 4.38Å; W58-A63 HydrophobicContact CZ3-CB 3.85Å
64V95.1Very high94.1Very high88 Ų8858.2 Ų58.253%0.53333%0.327SS..EExtended strand (participates in β ladder)trans-85.6-45.9-179.3178.80000111.1T57 E59 I62T57-V64 PolarHBondContact O-N 2.81Å; E59-V64 HydrophobicContact CB-CG2 3.74Å; E59-V64 HydrophobicContact CG-CG2 3.66Å; I62-V64 PolarHBondContact O-N 2.94Å
65D94Very high93.9Very high114 Ų11459.3 Ų59.361%0.6133%0.334SS*.EExtended strand (participates in β ladder)trans-144.2132.7178.8178.148.4000108.7A56 T57A56-D65 CarbonylContact C-O 3.45Å; A56-D65 WeakPolarHBondContact CA-O 3.32Å; A56-D65 VanDerWaalsContact CB-O 3.28Å; A56-D65 WeakPolarHBondContact CB-O 3.11Å; T57-D65 PolarHBondContact N-O 3.37Å
66G94.4Very high93.7Very high25 Ų2560.9 Ų60.926%0.25834%0.338SS..EExtended strand (participates in β ladder)trans-164.9158.2-175.300000114.6K55K55-G66 CarbonylContact O-C 3.56Å; K55-G66 WeakPolarHBondContact O-CA 3.35Å
67T95.9Very high93.3Very high50 Ų5066.3 Ų66.331%0.30736%0.36SS..EExtended strand (participates in β ladder)trans-127.4128.9-179.8-51.70000109.3K55 E75K55-T67 PolarHBondContact N-O 2.91Å; K55-T67 PolarHBondContact O-N 2.8Å; T67-E75 HydrophobicContact CG2-CB 4.11Å
68F95.4Very high92.9Very high57 Ų5769.7 Ų69.725%0.2538%0.377CS..EExtended strand (participates in β ladder)trans-81.3134.7172.3-168.8-92.7000109.9F48 Y54 F70 Y76F48-F68 HydrophobicContact CD2-CE2 4.15Å; F48-F68 HydrophobicContact CE2-CD2 4.39Å; F48-F68 AromaticContact CE2-CE2 3.8Å; F48-F68 HydrophobicContact CE2-CE2 3.8Å; Y54-F68 HydrophobicContact CD2-CB 4.12Å; Y54-F68 HydrophobicContact CD2-CD2 4.19Å; F68-F70 HydrophobicContact CD1-CD1 4.31Å; F68-F70 HydrophobicContact CD1-CD2 4.36Å; F68-F70 HydrophobicContact CD1-CE1 4.23Å; F68-F70 HydrophobicContact CD1-CE2 4.27Å; F68-F70 HydrophobicContact CD1-CG 4.37Å; F68-F70 HydrophobicContact CD1-CZ 4.21Å; F68-F70 AromaticContact CE1-CD1 3.81Å; F68-F70 HydrophobicContact CE1-CD1 3.81Å; F68-F70 AromaticContact CE1-CE1 3.91Å; F68-F70 HydrophobicContact CE1-CE1 3.91Å; F68-F70 HydrophobicContact CE1-CG 4.17Å; F68-F70 HydrophobicContact CE1-CZ 4.35Å; F68-Y76 WeakPolarHBondContact O-CB 3.4Å; F68-Y76 PolarHBondContact O-N 2.89Å
69V95.4Very high92.5Very high12 Ų1275.7 Ų75.77%0.07340%0.403CS..EExtended strand (participates in β ladder)trans-120.1120.1177.7-171.90000107.7S52 K53 K55 L74 E75S52-V69 CarbonylContact C-O 3.59Å; S52-V69 VanDerWaalsContact CA-O 3.32Å; S52-V69 WeakPolarHBondContact CA-O 3.46Å; S52-V69 WeakPolarHBondContact CB-O 3.13Å; K53-V69 HydrophobicContact CB-CB 4.39Å; K53-V69 PolarHBondContact N-O 3.38Å; K53-V69 PolarHBondContact O-N 3.21Å; K55-V69 HydrophobicContact CD-CG2 4.21Å; K55-V69 HydrophobicContact CG-CG2 4.46Å; V69-L74 CarbonylContact C-O 3.39Å; V69-L74 WeakPolarHBondContact CA-O 3.32Å; V69-E75 HydrophobicContact CG1-CG 4.32Å; V69-E75 HydrophobicContact CG2-CG 4.01Å
70F93.1Very high92.1Very high71 Ų7177.8 Ų77.831%0.31142%0.418SS..  trans-68.3163.3177.5-68.1-83.7000111.1F68 D72 G73 L74 W81F68-F70 HydrophobicContact CD1-CD1 4.31Å; F68-F70 HydrophobicContact CD1-CD2 4.36Å; F68-F70 HydrophobicContact CD1-CE1 4.23Å; F68-F70 HydrophobicContact CD1-CE2 4.27Å; F68-F70 HydrophobicContact CD1-CG 4.37Å; F68-F70 HydrophobicContact CD1-CZ 4.21Å; F68-F70 AromaticContact CE1-CD1 3.81Å; F68-F70 HydrophobicContact CE1-CD1 3.81Å; F68-F70 AromaticContact CE1-CE1 3.91Å; F68-F70 HydrophobicContact CE1-CE1 3.91Å; F68-F70 HydrophobicContact CE1-CG 4.17Å; F68-F70 HydrophobicContact CE1-CZ 4.35Å; F70-D72 WeakPolarHBondContact CB-OD1 3.22Å; F70-D72 PolarHBondContact O-N 2.95Å; F70-G73 PolarHBondContact O-N 3.45Å; F70-L74 HydrophobicContact CB-CB 4.19Å; F70-L74 HydrophobicContact CD2-CB 3.96Å; F70-L74 HydrophobicContact CD2-CD2 4Å; F70-L74 HydrophobicContact CD2-CG 3.96Å; F70-L74 VanDerWaalsContact CD2-O 3.3Å; F70-L74 WeakPolarHBondContact CD2-O 3.16Å; F70-L74 HydrophobicContact CE2-CD2 4.34Å; F70-L74 HydrophobicContact CG-CB 4.48Å; F70-L74 PolarHBondContact N-O 2.83Å; F70-W81 AromaticContact CE2-CH2 3.85Å; F70-W81 HydrophobicContact CE2-CH2 3.85Å; F70-W81 HydrophobicContact CE2-CZ2 4.35Å
71P92Very high91.8Very high80 Ų8077.6 Ų77.652%0.51941%0.413SS..THydrogen-bonded Turntrans-61.2-28.2-177.8-22.234.2000113.7N50 S52 G73N50-P71 WeakPolarHBondContact O-CG 3.41Å; S52-P71 WeakPolarHBondContact OG-CD 3.32Å; S52-P71 WeakPolarHBondContact OG-CG 3.42Å; P71-G73 PolarHBondContact O-N 2.93Å
72D86.6Confident91.4Very high56 Ų5679.3 Ų79.330%0.29942%0.424SS..THydrogen-bonded Turntrans-78.5-2.5175.261.22.8000113.5F70 L74 Y92 T93F70-D72 WeakPolarHBondContact CB-OD1 3.22Å; F70-D72 PolarHBondContact O-N 2.95Å; D72-L74 WeakPolarHBondContact OD1-CB 3.45Å; D72-L74 PolarHBondContact OD1-N 3.21Å; D72-Y92 WeakPolarHBondContact O-CD1 3.35Å; D72-T93 HydrophobicContact CB-CG2 3.93Å
73G88.9Confident91Very high34 Ų3475.8 Ų75.835%0.35140%0.403SS..SBendtrans89.6-0179.400000114.7F70 P71 E75F70-G73 PolarHBondContact O-N 3.45Å; P71-G73 PolarHBondContact O-N 2.93Å; G73-E75 PolarHBondContact O-N 2.83Å
74L90.8Very high90.3Very high16 Ų1677.1 Ų77.18%0.08441%0.41CS..PPolyproline II helixtrans-63128.7174.717764.5000109.7V69 F70 D72 W81 Y83 Y92V69-L74 CarbonylContact C-O 3.39Å; V69-L74 WeakPolarHBondContact CA-O 3.32Å; F70-L74 HydrophobicContact CB-CB 4.19Å; F70-L74 HydrophobicContact CD2-CB 3.96Å; F70-L74 HydrophobicContact CD2-CD2 4Å; F70-L74 HydrophobicContact CD2-CG 3.96Å; F70-L74 VanDerWaalsContact CD2-O 3.3Å; F70-L74 WeakPolarHBondContact CD2-O 3.16Å; F70-L74 HydrophobicContact CE2-CD2 4.34Å; F70-L74 HydrophobicContact CG-CB 4.48Å; F70-L74 PolarHBondContact N-O 2.83Å; D72-L74 WeakPolarHBondContact OD1-CB 3.45Å; D72-L74 PolarHBondContact OD1-N 3.21Å; L74-W81 HydrophobicContact CD1-CH2 4.2Å; L74-W81 HydrophobicContact CD2-CH2 3.52Å; L74-W81 HydrophobicContact CD2-CZ2 3.67Å; L74-W81 HydrophobicContact CG-CH2 3.79Å; L74-W81 HydrophobicContact CG-CZ2 4.43Å; L74-Y83 HydrophobicContact CD2-CD1 3.39Å; L74-Y83 HydrophobicContact CD2-CD2 3.99Å; L74-Y83 HydrophobicContact CD2-CE1 3.91Å; L74-Y83 HydrophobicContact CD2-CE2 4.49Å; L74-Y83 HydrophobicContact CD2-CG 3.4Å; L74-Y83 VanDerWaalsContact CD2-CG 3.4Å; L74-Y92 HydrophobicContact CB-CD1 3.77Å; L74-Y92 HydrophobicContact CB-CD2 4.24Å; L74-Y92 HydrophobicContact CB-CE1 4.23Å; L74-Y92 HydrophobicContact CB-CG 3.77Å; L74-Y92 HydrophobicContact CD1-CD2 3.6Å; L74-Y92 HydrophobicContact CD1-CE2 3.88Å; L74-Y92 HydrophobicContact CD1-CG 4.01Å; L74-Y92 HydrophobicContact CG-CD2 4.44Å; L74-Y92 HydrophobicContact CG-CG 4.36Å
75E93.1Very high89.7Confident84 Ų8476.1 Ų76.139%0.39340%0.402SS..BIsolated β-bridgetrans-92.5127.3174.8-58.9-160.5151.200109.8K55 T67 V69 G73 W81K55-E75 IonicContact NZ-OE1 2.66Å; K55-E75 PolarHBondContact NZ-OE1 2.91Å; T67-E75 HydrophobicContact CG2-CB 4.11Å; V69-E75 HydrophobicContact CG1-CG 4.32Å; V69-E75 HydrophobicContact CG2-CG 4.01Å; G73-E75 PolarHBondContact O-N 2.83Å; E75-W81 WeakPolarHBondContact O-CZ3 3.13Å
76Y92Very high89.1Confident124 Ų12474 Ų7449%0.48641%0.407SS..PPolyproline II helixtrans-61.6135.7177.1176.2-102.6000111.1F68 W81F68-Y76 WeakPolarHBondContact O-CB 3.4Å; F68-Y76 PolarHBondContact O-N 2.89Å; Y76-W81 HydrophobicContact CD2-CH2 4.38Å; Y76-W81 HydrophobicContact CD2-CZ3 4.28Å
77K90.3Very high88.7Confident123 Ų12384 Ų8454%0.53544%0.439SS..  trans-131.9133.9172.8-57.4-179.8179.8177.40109K79 W81K77-K79 VanDerWaalsContact C-N 3.33Å; K77-K79 WeakPolarHBondContact CB-O 3.44Å; K77-W81 HydrophobicContact CB-CE3 4.03Å; K77-W81 HydrophobicContact CB-CZ3 4.36Å
78D87.4Confident88.1Confident122 Ų12283.5 Ų83.565%0.65243%0.434SS*.SBendtrans-71.9-30.8174.867.3-41.6000111.8
79K89.4Confident87.6Confident145 Ų14590.6 Ų90.663%0.6346%0.459SS*.SBendtrans-121.4153.6179.6-65.9171.1-169.9173.60111.2K77 W81K77-K79 VanDerWaalsContact C-N 3.33Å; K77-K79 WeakPolarHBondContact CB-O 3.44Å; K79-W81 VanDerWaalsContact C-N 3.3Å; K79-W81 PolarHBondContact O-N 2.89Å
80D86.6Confident86.9Confident152 Ų15294.2 Ų94.281%0.81347%0.472SS*.SBendtrans54.744.7177.4-52.3-47.4000112.9A82D80-A82 PolarHBondContact O-N 2.72Å
81W88.3Confident86.5Confident90 Ų9096.7 Ų96.734%0.34148%0.483SS..  trans-70.597178.9-170.5-105.3000110.9F70 L74 E75 Y76 K77 K79 Y83F70-W81 AromaticContact CE2-CH2 3.85Å; F70-W81 HydrophobicContact CE2-CH2 3.85Å; F70-W81 HydrophobicContact CE2-CZ2 4.35Å; L74-W81 HydrophobicContact CD1-CH2 4.2Å; L74-W81 HydrophobicContact CD2-CH2 3.52Å; L74-W81 HydrophobicContact CD2-CZ2 3.67Å; L74-W81 HydrophobicContact CG-CH2 3.79Å; L74-W81 HydrophobicContact CG-CZ2 4.43Å; E75-W81 WeakPolarHBondContact O-CZ3 3.13Å; Y76-W81 HydrophobicContact CD2-CH2 4.38Å; Y76-W81 HydrophobicContact CD2-CZ3 4.28Å; K77-W81 HydrophobicContact CB-CE3 4.03Å; K77-W81 HydrophobicContact CB-CZ3 4.36Å; K79-W81 VanDerWaalsContact C-N 3.3Å; K79-W81 PolarHBondContact O-N 2.89Å; W81-Y83 VanDerWaalsContact C-N 3.34Å; W81-Y83 VanDerWaalsContact CD1-O 3.23Å; W81-Y83 AromaticContact CZ2-CD1 3.8Å; W81-Y83 HydrophobicContact CZ2-CD1 3.8Å; W81-Y83 HydrophobicContact CZ2-CG 4.22Å; W81-Y83 PolarHBondContact NE1-O 2.77Å
82A82.4Confident86Confident71 Ų7196.3 Ų96.359%0.58747%0.471SS*.  trans-84.9-4.1-178.300000113.9D80D80-A82 PolarHBondContact O-N 2.72Å
83Y85.5Confident85.8Confident45 Ų4596.4 Ų96.418%0.17647%0.474CS..THydrogen-bonded Turntrans-88.1125.4-176.6177.7-113.6000111.9L74 W81 D85 R90 F91L74-Y83 HydrophobicContact CD2-CD1 3.39Å; L74-Y83 HydrophobicContact CD2-CD2 3.99Å; L74-Y83 HydrophobicContact CD2-CE1 3.91Å; L74-Y83 HydrophobicContact CD2-CE2 4.49Å; L74-Y83 HydrophobicContact CD2-CG 3.4Å; L74-Y83 VanDerWaalsContact CD2-CG 3.4Å; W81-Y83 VanDerWaalsContact C-N 3.34Å; W81-Y83 VanDerWaalsContact CD1-O 3.23Å; W81-Y83 AromaticContact CZ2-CD1 3.8Å; W81-Y83 HydrophobicContact CZ2-CD1 3.8Å; W81-Y83 HydrophobicContact CZ2-CG 4.22Å; W81-Y83 PolarHBondContact NE1-O 2.77Å; Y83-D85 VanDerWaalsContact C-N 3.34Å; Y83-D85 PolarHBondContact O-N 3.23Å; Y83-R90 WeakPolarHBondContact CE2-O 3.2Å; Y83-F91 WeakPolarHBondContact OH-CD1 3.36Å
84C79.3Confident85.6Confident60 Ų6097.2 Ų97.241%0.40547%0.469SS..THydrogen-bonded Turntrans52.148.8-177.6-71.40000112.8D88C84-D88 CarbonylContact C-O 3.54Å; C84-D88 WeakPolarHBondContact CA-O 3.35Å
85D82.6Confident85.3Confident67 Ų6799.5 Ų99.536%0.35848%0.481SS..  trans-76.7-17717581.112.2000111.7Y83 Y87 D88Y83-D85 VanDerWaalsContact C-N 3.34Å; Y83-D85 PolarHBondContact O-N 3.23Å; D85-Y87 PolarHBondContact O-N 2.7Å; D85-Y87 WeakPolarHBondContact OD1-CA 3.48Å; D85-Y87 PolarHBondContact OD1-N 2.84Å; D85-D88 PolarHBondContact N-O 2.7Å; D85-D88 PolarHBondContact OD1-N 2.77Å
86G81.8Confident84.8Confident70 Ų7098.4 Ų98.472%0.72248%0.481SS*.SBendtrans-63.3-21.3-178.800000114.6
87Y85.3Confident84.3Confident234 Ų234101.9 Ų101.992%0.91850%0.495SS*.SBendtrans-106.1-32.2-175-63.7-81.1000112.7D85D85-Y87 PolarHBondContact O-N 2.7Å; D85-Y87 WeakPolarHBondContact OD1-CA 3.48Å; D85-Y87 PolarHBondContact OD1-N 2.84Å
88D83.6Confident83.8Confident40 Ų4097.7 Ų97.721%0.21449%0.486CS..  trans-125.2110.9-177.2-167.7-7.1000110.9C84 D85 R90C84-D88 CarbonylContact C-O 3.54Å; C84-D88 WeakPolarHBondContact CA-O 3.35Å; D85-D88 PolarHBondContact N-O 2.7Å; D85-D88 PolarHBondContact OD1-N 2.77Å; D88-R90 VanDerWaalsContact OD1-CB 3.28Å; D88-R90 WeakPolarHBondContact OD1-CB 3.44Å; D88-R90 WeakPolarHBondContact OD1-CG 3.33Å; D88-R90 IonicContact OD1-CZ 3.81Å; D88-R90 PolarHBondContact OD1-N 2.79Å; D88-R90 IonicContact OD1-NE 3.43Å; D88-R90 PolarHBondContact OD1-NE 3.23Å; D88-R90 IonicContact OD1-NH2 2.96Å; D88-R90 IonicContact OD2-CZ 2.7Å; D88-R90 VanDerWaalsContact OD2-CZ 3.32Å; D88-R90 IonicContact OD2-NE 3.98Å; D88-R90 PolarHBondContact OD2-NE 3.21Å; D88-R90 VanDerWaalsContact OD2-NE 3.13Å; D88-R90 IonicContact OD2-NH2 2.7Å; D88-R90 PolarHBondContact OD2-NH2 3.02Å
89R84.7Confident83.3Confident207 Ų20798.7 Ų98.778%0.78149%0.485SS*.  trans-104.812.3180-60.4-171.8-176.3178.91.9113.6
90R82.3Confident82.4Confident87 Ų8798.9 Ų98.933%0.32849%0.491SS..  trans-66.3142.3179-68179.2-63160.20.8110.4Y83 D88 E94 I95 F99Y83-R90 WeakPolarHBondContact CE2-O 3.2Å; D88-R90 VanDerWaalsContact OD1-CB 3.28Å; D88-R90 WeakPolarHBondContact OD1-CB 3.44Å; D88-R90 WeakPolarHBondContact OD1-CG 3.33Å; D88-R90 IonicContact OD1-CZ 3.81Å; D88-R90 PolarHBondContact OD1-N 2.79Å; D88-R90 IonicContact OD1-NE 3.43Å; D88-R90 PolarHBondContact OD1-NE 3.23Å; D88-R90 IonicContact OD1-NH2 2.96Å; D88-R90 IonicContact OD2-CZ 2.7Å; D88-R90 VanDerWaalsContact OD2-CZ 3.32Å; D88-R90 IonicContact OD2-NE 3.98Å; D88-R90 PolarHBondContact OD2-NE 3.21Å; D88-R90 VanDerWaalsContact OD2-NE 3.13Å; D88-R90 IonicContact OD2-NH2 2.7Å; D88-R90 PolarHBondContact OD2-NH2 3.02Å; R90-E94 WeakPolarHBondContact CA-OE2 3.46Å; R90-E94 HydrophobicContact CB-CB 4.17Å; R90-I95 HydrophobicContact CB-CD1 4.46Å; R90-I95 HydrophobicContact CB-CG1 3.88Å; R90-F99 HydrophobicContact CG-CE1 4.17Å; R90-F99 HydrophobicContact CG-CZ 3.97Å
91F83.2Confident81.7Confident124 Ų12496.2 Ų96.254%0.54448%0.483SS..  trans-63.1152.3168.5-69.2-78.8000110Y83 T93 E94 I95Y83-F91 WeakPolarHBondContact OH-CD1 3.36Å; F91-T93 PolarHBondContact O-N 3.21Å; F91-E94 HydrophobicContact CB-CG 4.16Å; F91-E94 PolarHBondContact N-OE2 2.99Å; F91-E94 WeakPolarHBondContact O-CA 3.13Å; F91-E94 WeakPolarHBondContact O-CB 3.19Å; F91-E94 PolarHBondContact O-N 3.28Å; F91-I95 PolarHBondContact O-N 3.1Å
92Y82.3Confident80.6Confident71 Ų7197.8 Ų97.828%0.27850%0.504SS..Hα-helixtrans-61.6-35.6-174.9177.6-110.7000111.3D72 L74 E94 I95 C96D72-Y92 WeakPolarHBondContact O-CD1 3.35Å; L74-Y92 HydrophobicContact CB-CD1 3.77Å; L74-Y92 HydrophobicContact CB-CD2 4.24Å; L74-Y92 HydrophobicContact CB-CE1 4.23Å; L74-Y92 HydrophobicContact CB-CG 3.77Å; L74-Y92 HydrophobicContact CD1-CD2 3.6Å; L74-Y92 HydrophobicContact CD1-CE2 3.88Å; L74-Y92 HydrophobicContact CD1-CG 4.01Å; L74-Y92 HydrophobicContact CG-CD2 4.44Å; L74-Y92 HydrophobicContact CG-CG 4.36Å; Y92-E94 VanDerWaalsContact C-N 3.33Å; Y92-E94 PolarHBondContact O-N 2.8Å; Y92-I95 WeakPolarHBondContact O-CB 3.34Å; Y92-I95 PolarHBondContact O-N 3.04Å; Y92-C96 PolarHBondContact O-N 3.09Å; Y92-C96 PolarHBondContact O-SG 3.37Å; Y92-C96 VanDerWaalsContact O-SG 3.4Å
93T82.4Confident79.8Confident59 Ų5997.4 Ų97.436%0.36251%0.507SS..Hα-helixtrans-58.7-40.4171.649.20000112.8D72 F91 I95 C96 Y97D72-T93 HydrophobicContact CB-CG2 3.93Å; F91-T93 PolarHBondContact O-N 3.21Å; T93-I95 VanDerWaalsContact C-N 3.35Å; T93-C96 PolarHBondContact O-N 2.74Å; T93-Y97 WeakPolarHBondContact O-CB 3.17Å; T93-Y97 WeakPolarHBondContact O-CD2 3.38Å; T93-Y97 PolarHBondContact O-N 3.12Å
94E84.9Confident78.6Confident50 Ų50102.8 Ų102.823%0.23453%0.534CS..Hα-helixtrans-70.8-31.7177-61.2173.714000112R90 F91 Y92 G98 F99R90-E94 WeakPolarHBondContact CA-OE2 3.46Å; R90-E94 HydrophobicContact CB-CB 4.17Å; F91-E94 HydrophobicContact CB-CG 4.16Å; F91-E94 PolarHBondContact N-OE2 2.99Å; F91-E94 WeakPolarHBondContact O-CA 3.13Å; F91-E94 WeakPolarHBondContact O-CB 3.19Å; F91-E94 PolarHBondContact O-N 3.28Å; Y92-E94 VanDerWaalsContact C-N 3.33Å; Y92-E94 PolarHBondContact O-N 2.8Å; E94-G98 WeakPolarHBondContact CA-O 3.27Å; E94-G98 CarbonylContact O-C 3.51Å; E94-G98 WeakPolarHBondContact O-CA 3.43Å; E94-G98 PolarHBondContact O-N 2.98Å; E94-F99 HydrophobicContact CG-CD1 4.41Å
95I83.7Confident77.9Confident65 Ų65105.4 Ų105.433%0.33355%0.548SS..Hα-helixtrans-66-42.9172.7-63.2171.4000110.2R90 F91 Y92 T93R90-I95 HydrophobicContact CB-CD1 4.46Å; R90-I95 HydrophobicContact CB-CG1 3.88Å; F91-I95 PolarHBondContact O-N 3.1Å; Y92-I95 WeakPolarHBondContact O-CB 3.34Å; Y92-I95 PolarHBondContact O-N 3.04Å; T93-I95 VanDerWaalsContact C-N 3.35Å
96C82.5Confident76.7Confident61 Ų61107.6 Ų107.641%0.41256%0.557SS.*Hα-helixtrans-77.1-40.6-177.9-68.60000114.1Y92 T93Y92-C96 PolarHBondContact O-N 3.09Å; Y92-C96 PolarHBondContact O-SG 3.37Å; Y92-C96 VanDerWaalsContact O-SG 3.4Å; T93-C96 PolarHBondContact O-N 2.74Å
97Y81.3Confident75.8Confident197 Ų197109.4 Ų109.477%0.77355%0.549SS*.Hα-helixtrans-116-1.8-168.1-54.1-67.1000113.6T93T93-Y97 WeakPolarHBondContact O-CB 3.17Å; T93-Y97 WeakPolarHBondContact O-CD2 3.38Å; T93-Y97 PolarHBondContact O-N 3.12Å
98G81.4Confident74.7Confident34 Ų3499.7 Ų99.735%0.35151%0.514SS..  trans78.5179.1-172.200000112.4E94 I100E94-G98 WeakPolarHBondContact CA-O 3.27Å; E94-G98 CarbonylContact O-C 3.51Å; E94-G98 WeakPolarHBondContact O-CA 3.43Å; E94-G98 PolarHBondContact O-N 2.98Å; G98-I100 PolarHBondContact O-N 3.44Å
99F75.9Confident73.6Confident143 Ų143105.4 Ų105.463%0.62755%0.545SS*.  trans-69.1127.7176.3-66.7-71.2000110.1R90 E94 P101R90-F99 HydrophobicContact CG-CE1 4.17Å; R90-F99 HydrophobicContact CG-CZ 3.97Å; E94-F99 HydrophobicContact CG-CD1 4.41Å; F99-P101 WeakPolarHBondContact O-CD 3.37Å
100I70.4Confident72.6Confident149 Ų14999.7 Ų99.776%0.76453%0.529SS*.  trans-75114.2162-58.5170.6000104.6G98G98-I100 PolarHBondContact O-N 3.44Å
101P71.3Confident71.7Confident97 Ų97100.8 Ų100.863%0.6354%0.537SS*.  trans-56.6145178.524-31.9000108.3F99 G103F99-P101 WeakPolarHBondContact O-CD 3.37Å; P101-G103 PolarHBondContact O-N 2.72Å; P101-G103 VanDerWaalsContact O-N 3.12Å
102P65.4Low71.2Confident122 Ų12299.6 Ų99.679%0.79254%0.542SS*.  trans-50.1130.6166.724.5-32.2000106.4
103G65.2Low70.7Confident63 Ų6397.9 Ų97.965%0.64954%0.539SS*.  trans-54.5176175.800000110.9P101 T105P101-G103 PolarHBondContact O-N 2.72Å; P101-G103 VanDerWaalsContact O-N 3.12Å; G103-T105 PolarHBondContact O-N 3.11Å; G103-T105 VanDerWaalsContact O-N 3.13Å
104E62.2Low70.7Confident159 Ų15996.5 Ų96.574%0.74353%0.532SS*.  trans-50.4127.9178.2-66.5-172177.700110.7Q106E104-Q106 PolarHBondContact O-N 3.44Å
105T64.2Low70.8Confident114 Ų114100.5 Ų100.570%0.69956%0.559SS**  trans-61.2123.8177-62.90000107.4G103 L107G103-T105 PolarHBondContact O-N 3.11Å; G103-T105 VanDerWaalsContact O-N 3.13Å; T105-L107 PolarHBondContact O-N 3.13Å
106Q56.1Low71Confident114 Ų11498 Ų9853%0.53355%0.547SS..  trans-65.6105.6177.2-66.6-66.6-20.800108.6E104 H111E104-Q106 PolarHBondContact O-N 3.44Å; Q106-H111 PolarHBondContact NE2-CD2 2.85Å; Q106-H111 PolarHBondContact OE1-CD2 3.45Å
107L64.1Low71.4Confident108 Ų10898 Ų9857%0.56555%0.545SS*.  trans-80.8-23.5-179.9-64.7176.8000112.2T105T105-L107 PolarHBondContact O-N 3.13Å
108T62.3Low71.9Confident29 Ų2996.1 Ų96.118%0.17855%0.549CS..SBendtrans-142162.8-178510000110.4I110 P113T108-I110 PolarHBondContact O-N 2.8Å; T108-I110 PolarHBondContact OG1-O 2.98Å; T108-P113 HydrophobicContact CG2-CB 4.36Å; T108-P113 WeakPolarHBondContact OG1-CA 3.25Å; T108-P113 WeakPolarHBondContact OG1-CB 3.01Å
109N59.3Low72.3Confident161 Ų16195.7 Ų95.786%0.86155%0.545SS*.SBendtrans-68-18.317262.3-24.6000113.6
110I63.9Low73.1Confident87 Ų8789.5 Ų89.545%0.44652%0.519SS..SBendtrans-98.8132.5173.1-58.9172.1000108.5T108 P112T108-I110 PolarHBondContact O-N 2.8Å; T108-I110 PolarHBondContact OG1-O 2.98Å; I110-P112 CarbonylContact O-C 3.35Å
111H62.9Low74.2Confident109 Ų10983 Ų8351%0.50549%0.485SS..SBendtrans-126.9126.4177.9-170-86.1000110.8Q106Q106-H111 PolarHBondContact NE2-CD2 2.85Å; Q106-H111 PolarHBondContact OE1-CD2 3.45Å
112P72.6Confident75.2Confident99 Ų9978.9 Ų78.964%0.64346%0.457SS*.SBendcis-69.7154.7-0.230.6-35.2000112.2I110I110-P112 CarbonylContact O-C 3.35Å
113P73.4Confident76.3Confident35 Ų3573.6 Ų73.623%0.22742%0.424CS..PPolyproline II helixtrans-59141.3174.722.4-31.4000110.8T108 V115T108-P113 HydrophobicContact CG2-CB 4.36Å; T108-P113 WeakPolarHBondContact OG1-CA 3.25Å; T108-P113 WeakPolarHBondContact OG1-CB 3.01Å; P113-V115 PolarHBondContact O-N 3.14Å
114P81.6Confident77.1Confident31 Ų3176.6 Ų76.620%0.20143%0.429CS..PPolyproline II helixtrans-55.1138.6172.4-23.833.5000111.5I116 F127 Y138P114-I116 PolarHBondContact O-N 2.88Å; P114-F127 HydrophobicContact CB-CE1 4.26Å; P114-F127 HydrophobicContact CB-CZ 3.79Å; P114-Y138 HydrophobicContact CB-CD1 4.25Å; P114-Y138 HydrophobicContact CB-CE1 4.31Å; P114-Y138 HydrophobicContact CG-CD1 4.34Å; P114-Y138 HydrophobicContact CG-CE1 4.22Å
115V86.4Confident78.3Confident134 Ų13471.9 Ų71.981%0.81241%0.409SS*.PPolyproline II helixtrans-75.3116.9173.5-179.30000108.1P113 F127P113-V115 PolarHBondContact O-N 3.14Å; V115-F127 VanDerWaalsContact O-CZ 3.28Å; V115-F127 WeakPolarHBondContact O-CZ 3.3Å
116I88.8Confident79.6Confident13 Ų1366.4 Ų66.47%0.06738%0.376CS..PPolyproline II helixtrans-75127.3-180-48.7176.5000108.4P114 C120 D122 F127 R159 A161P114-I116 PolarHBondContact O-N 2.88Å; I116-C120 HydrophobicContact CG2-CB 4.04Å; I116-C120 VanDerWaalsContact CG2-O 3.32Å; I116-C120 WeakPolarHBondContact CG2-O 3.28Å; I116-D122 HydrophobicContact CD1-CB 3.62Å; I116-D122 HydrophobicContact CG1-CB 4Å; I116-F127 HydrophobicContact CB-CD1 4.43Å; I116-F127 HydrophobicContact CB-CE1 4.18Å; I116-F127 HydrophobicContact CG1-CE1 4.04Å; I116-F127 HydrophobicContact CG2-CD1 3.96Å; I116-F127 HydrophobicContact CG2-CE1 4.22Å; I116-R159 HydrophobicContact CD1-CB 4.26Å; I116-R159 HydrophobicContact CD1-CG 3.7Å; I116-A161 HydrophobicContact CB-CB 3.9Å; I116-A161 HydrophobicContact CG2-CB 3.86Å
117P91.6Very high81.4Confident59 Ų5962.4 Ų62.438%0.38336%0.356SS..PPolyproline II helixtrans-58.5148175.4-23.833.4000112.6G119 C120 F127 A161P117-G119 PolarHBondContact O-N 3.18Å; P117-C120 HydrophobicContact CB-CB 4.23Å; P117-C120 VanDerWaalsContact O-CB 3.29Å; P117-C120 WeakPolarHBondContact O-CB 3.32Å; P117-C120 PolarHBondContact O-N 3.26Å; P117-F127 VanDerWaalsContact CD-CG 3.48Å; P117-F127 HydrophobicContact CG-CB 4.44Å; P117-F127 HydrophobicContact CG-CD2 3.85Å; P117-F127 HydrophobicContact CG-CE2 4.22Å; P117-F127 HydrophobicContact CG-CG 4.09Å; P117-A161 VanDerWaalsContact O-CB 3.23Å; P117-A161 WeakPolarHBondContact O-CB 3.27Å
118D91.1Very high82.9Confident158 Ų15857.2 Ų57.285%0.84533%0.329SS*.THydrogen-bonded Turntrans-54.5127.2179.7-74.2-10.2000111.9C120D118-C120 VanDerWaalsContact C-N 3.29Å
119G90.4Very high84.5Confident26 Ų2657.9 Ų57.927%0.26833%0.332SS..THydrogen-bonded Turntrans83.7-2.3-178.400000115P117 P130 W162P117-G119 PolarHBondContact O-N 3.18Å; G119-P130 WeakPolarHBondContact O-CD 3.19Å; G119-W162 VanDerWaalsContact C-CZ3 3.44Å
120C92.6Very high86.1Confident13 Ų1351.9 Ų51.99%0.08830%0.301CS..  trans-102.4168.2-179.3-62.10000113.9I116 P117 D118 F127 Y128 A161I116-C120 HydrophobicContact CG2-CB 4.04Å; I116-C120 VanDerWaalsContact CG2-O 3.32Å; I116-C120 WeakPolarHBondContact CG2-O 3.28Å; P117-C120 HydrophobicContact CB-CB 4.23Å; P117-C120 VanDerWaalsContact O-CB 3.29Å; P117-C120 WeakPolarHBondContact O-CB 3.32Å; P117-C120 PolarHBondContact O-N 3.26Å; D118-C120 VanDerWaalsContact C-N 3.29Å; C120-F127 HydrophobicContact CB-CB 4.4Å; C120-Y128 CarbonylContact C-O 3.55Å; C120-Y128 WeakPolarHBondContact CA-O 3.35Å; C120-Y128 VanDerWaalsContact CB-O 3.26Å; C120-Y128 WeakPolarHBondContact CB-O 3.48Å; C120-A161 PolarHBondContact O-N 2.77Å; C120-A161 VanDerWaalsContact O-N 3.13Å
121Y92.8Very high87.5Confident13 Ų1356.4 Ų56.45%0.05132%0.318CS..EExtended strand (participates in β ladder)trans-120.1149.4176.5-62.2-105.2000110.5F127 Y128 P130 I154 V155 C158 R159 R160 W162Y121-F127 CarbonylContact O-C 3.58Å; Y121-F127 VanDerWaalsContact O-CA 3.27Å; Y121-F127 WeakPolarHBondContact O-CA 3.4Å; Y121-Y128 AromaticContact CD2-CD1 3.99Å; Y121-Y128 HydrophobicContact CD2-CD1 3.99Å; Y121-Y128 HydrophobicContact CG-CD1 4.47Å; Y121-Y128 PolarHBondContact N-O 3.02Å; Y121-Y128 PolarHBondContact O-N 2.98Å; Y121-P130 HydrophobicContact CE2-CG 4.06Å; Y121-I154 VanDerWaalsContact CB-CG2 3.5Å; Y121-I154 HydrophobicContact CD1-CG2 4.23Å; Y121-I154 HydrophobicContact CD2-CG2 4.39Å; Y121-I154 HydrophobicContact CG-CG2 3.81Å; Y121-V155 HydrophobicContact CE2-CG2 4.23Å; Y121-C158 HydrophobicContact CD1-CB 4.29Å; Y121-R159 CarbonylContact C-O 3.48Å; Y121-R159 VanDerWaalsContact CA-O 3.28Å; Y121-R159 WeakPolarHBondContact CA-O 3.38Å; Y121-R160 HydrophobicContact CD1-CB 3.61Å; Y121-R160 HydrophobicContact CE1-CB 3.58Å; Y121-R160 HydrophobicContact CG-CB 4.31Å; Y121-W162 AromaticContact CE2-CH2 3.74Å; Y121-W162 HydrophobicContact CE2-CH2 3.74Å; Y121-W162 HydrophobicContact CE2-CZ2 4.44Å; Y121-W162 AromaticContact CZ-CH2 3.71Å; Y121-W162 AromaticContact CZ-CZ2 3.97Å; Y121-W162 WeakPolarHBondContact OH-CZ2 3.37Å
122D91.4Very high88.9Confident9 Ų956.2 Ų56.25%0.04832%0.32CS..EExtended strand (participates in β ladder)trans-94.7115174.7-177.47.2000110.4I116 T124 Y138 C158 R159I116-D122 HydrophobicContact CD1-CB 3.62Å; I116-D122 HydrophobicContact CG1-CB 4Å; D122-T124 PolarHBondContact OD1-N 3.03Å; D122-Y138 PolarHBondContact OD1-OH 3.27Å; D122-C158 WeakPolarHBondContact O-CB 3.43Å; D122-R159 HydrophobicContact CB-CB 4.38Å; D122-R159 PolarHBondContact N-O 2.96Å
123C89Confident90Very high12 Ų1255.4 Ų55.48%0.08130%0.304CS..  trans-100.112.1-177-61.70000113D125 G126 Y128 I154C123-D125 WeakPolarHBondContact CB-OD1 3.23Å; C123-D125 PolarHBondContact O-N 3.22Å; C123-G126 PolarHBondContact N-O 3.04Å; C123-Y128 VanDerWaalsContact SG-CB 3.51Å; C123-I154 VanDerWaalsContact SG-CD1 3.55Å
124T83.1Confident91Very high125 Ų12554.6 Ų54.677%0.76730%0.298SS*.SBendtrans69.3-18-176.871.20000116.1D122 Y138D122-T124 PolarHBondContact OD1-N 3.03Å; T124-Y138 WeakPolarHBondContact CA-OH 3.49Å; T124-Y138 PolarHBondContact N-OH 3.37Å; T124-Y138 PolarHBondContact O-OH 3.15Å
125D87.2Confident91.7Very high60 Ų6053.1 Ų53.132%0.32129%0.289SS..SBendtrans-112.5-7.1171.362.7-10.3000113C123 L143 R144C123-D125 WeakPolarHBondContact CB-OD1 3.23Å; C123-D125 PolarHBondContact O-N 3.22Å; D125-L143 VanDerWaalsContact O-CD1 3.26Å; D125-L143 WeakPolarHBondContact O-CD1 3.29Å; D125-R144 IonicContact OD1-NH2 3.21Å; D125-R144 IonicContact OD2-CZ 2.94Å; D125-R144 IonicContact OD2-NH1 3.6Å; D125-R144 PolarHBondContact OD2-NH1 3.07Å; D125-R144 IonicContact OD2-NH2 3.5Å; D125-R144 PolarHBondContact OD2-NH2 2.8Å; D125-R144 VanDerWaalsContact OD2-NH2 3.07Å
126G90.6Very high92.1Very high0 Ų048.7 Ų48.70%026%0.262CS..SBendtrans169.1-174-178.500000113.5C123 T136C123-G126 PolarHBondContact N-O 3.04Å; G126-T136 CarbonylContact C-O 3.48Å; G126-T136 WeakPolarHBondContact CA-O 3.28Å
127F94.6Very high92.2Very high29 Ų2948.7 Ų48.713%0.12726%0.263CS..EExtended strand (participates in β ladder)trans-98.9130174.8-57.5-55.7000111.4P114 V115 I116 P117 C120 Y121 I135 T136 Y138P114-F127 HydrophobicContact CB-CE1 4.26Å; P114-F127 HydrophobicContact CB-CZ 3.79Å; V115-F127 VanDerWaalsContact O-CZ 3.28Å; V115-F127 WeakPolarHBondContact O-CZ 3.3Å; I116-F127 HydrophobicContact CB-CD1 4.43Å; I116-F127 HydrophobicContact CB-CE1 4.18Å; I116-F127 HydrophobicContact CG1-CE1 4.04Å; I116-F127 HydrophobicContact CG2-CD1 3.96Å; I116-F127 HydrophobicContact CG2-CE1 4.22Å; P117-F127 VanDerWaalsContact CD-CG 3.48Å; P117-F127 HydrophobicContact CG-CB 4.44Å; P117-F127 HydrophobicContact CG-CD2 3.85Å; P117-F127 HydrophobicContact CG-CE2 4.22Å; P117-F127 HydrophobicContact CG-CG 4.09Å; C120-F127 HydrophobicContact CB-CB 4.4Å; Y121-F127 CarbonylContact O-C 3.58Å; Y121-F127 VanDerWaalsContact O-CA 3.27Å; Y121-F127 WeakPolarHBondContact O-CA 3.4Å; F127-I135 WeakPolarHBondContact O-CA 3.16Å; F127-T136 PolarHBondContact N-O 2.73Å; F127-T136 PolarHBondContact O-N 3.47Å; F127-Y138 HydrophobicContact CD1-CD1 4.39Å; F127-Y138 HydrophobicContact CD1-CE1 4.21Å; F127-Y138 HydrophobicContact CD2-CD1 4.23Å; F127-Y138 AromaticContact CE1-CD1 3.92Å; F127-Y138 HydrophobicContact CE1-CD1 3.92Å; F127-Y138 AromaticContact CE1-CE1 3.8Å; F127-Y138 HydrophobicContact CE1-CE1 3.8Å; F127-Y138 AromaticContact CE2-CD1 3.76Å; F127-Y138 HydrophobicContact CE2-CD1 3.76Å; F127-Y138 HydrophobicContact CE2-CE1 4.46Å; F127-Y138 AromaticContact CZ-CD1 3.61Å; F127-Y138 HydrophobicContact CZ-CD1 3.61Å; F127-Y138 AromaticContact CZ-CE1 3.96Å; F127-Y138 HydrophobicContact CZ-CE1 3.96Å
128Y95.9Very high92.1Very high0 Ų050 Ų500%026%0.261CS..EExtended strand (participates in β ladder)trans-99.2126.1175.5173.2-111.9000111.9C120 Y121 C123 P130 R133 V134 I135 A146 H151 I154 V155C120-Y128 CarbonylContact C-O 3.55Å; C120-Y128 WeakPolarHBondContact CA-O 3.35Å; C120-Y128 VanDerWaalsContact CB-O 3.26Å; C120-Y128 WeakPolarHBondContact CB-O 3.48Å; Y121-Y128 AromaticContact CD2-CD1 3.99Å; Y121-Y128 HydrophobicContact CD2-CD1 3.99Å; Y121-Y128 HydrophobicContact CG-CD1 4.47Å; Y121-Y128 PolarHBondContact N-O 3.02Å; Y121-Y128 PolarHBondContact O-N 2.98Å; C123-Y128 VanDerWaalsContact SG-CB 3.51Å; Y128-P130 HydrophobicContact CE1-CB 3.86Å; Y128-R133 WeakPolarHBondContact OH-CD 3.43Å; Y128-V134 WeakPolarHBondContact CA-O 3.24Å; Y128-V134 WeakPolarHBondContact CD2-O 3.26Å; Y128-I135 HydrophobicContact CD2-CD1 3.68Å; Y128-I135 HydrophobicContact CD2-CG1 3.82Å; Y128-I135 HydrophobicContact CE2-CD1 4.12Å; Y128-I135 HydrophobicContact CG-CG1 4.48Å; Y128-A146 HydrophobicContact CD2-CB 4.26Å; Y128-A146 HydrophobicContact CE2-CB 3.45Å; Y128-A146 VanDerWaalsContact CE2-CB 3.45Å; Y128-H151 AromaticContact CE1-ND1 3.85Å; Y128-H151 AromaticContact CZ-ND1 3.7Å; Y128-H151 PolarHBondContact OH-ND1 3.31Å; Y128-I154 HydrophobicContact CD1-CB 4.09Å; Y128-I154 HydrophobicContact CD1-CD1 4.07Å; Y128-I154 HydrophobicContact CD1-CG2 3.38Å; Y128-I154 HydrophobicContact CD2-CD1 4Å; Y128-I154 HydrophobicContact CE1-CB 4.37Å; Y128-I154 HydrophobicContact CE1-CD1 4.44Å; Y128-I154 HydrophobicContact CE1-CG2 4.07Å; Y128-I154 HydrophobicContact CE2-CD1 4.38Å; Y128-I154 HydrophobicContact CG-CD1 3.8Å; Y128-I154 HydrophobicContact CG-CG2 3.93Å; Y128-V155 HydrophobicContact CE1-CG2 4.44Å
129D95.1Very high91.9Very high43 Ų4346.7 Ų46.723%0.2325%0.251CS..EExtended strand (participates in β ladder)trans-100.8113.6170.7-175.9-22.5000110.3K131 I132 R133 V134D129-K131 VanDerWaalsContact C-N 3.27Å; D129-K131 PolarHBondContact O-N 2.69Å; D129-K131 VanDerWaalsContact OD1-CB 3.28Å; D129-K131 WeakPolarHBondContact OD1-CB 3.39Å; D129-K131 PolarHBondContact OD1-N 2.82Å; D129-I132 HydrophobicContact CB-CD1 4.14Å; D129-I132 HydrophobicContact CB-CG1 3.68Å; D129-R133 WeakPolarHBondContact O-CA 3.26Å; D129-R133 PolarHBondContact O-N 2.95Å; D129-V134 PolarHBondContact N-O 3.28Å; D129-V134 PolarHBondContact O-N 3.13Å
130P93.7Very high91.8Very high34 Ų3448.2 Ų48.222%0.22127%0.266CS..THydrogen-bonded Turntrans-69.2-20-178.231.3-38.3000114G119 Y121 Y128G119-P130 WeakPolarHBondContact O-CD 3.19Å; Y121-P130 HydrophobicContact CE2-CG 4.06Å; Y128-P130 HydrophobicContact CE1-CB 3.86Å
131K93.1Very high91.9Very high182 Ų18253.9 Ų53.979%0.79129%0.291SS*.THydrogen-bonded Turntrans-74.9-40.9-178.9-63.1176.3-178.4168.90111.4D129D129-K131 VanDerWaalsContact C-N 3.27Å; D129-K131 PolarHBondContact O-N 2.69Å; D129-K131 VanDerWaalsContact OD1-CB 3.28Å; D129-K131 WeakPolarHBondContact OD1-CB 3.39Å; D129-K131 PolarHBondContact OD1-N 2.82Å
132I92.8Very high92Very high105 Ų10559.3 Ų59.354%0.53832%0.315SS..THydrogen-bonded Turntrans-102.4-6.5-179.161.4170.6000113D129 V134D129-I132 HydrophobicContact CB-CD1 4.14Å; D129-I132 HydrophobicContact CB-CG1 3.68Å; I132-V134 VanDerWaalsContact C-N 3.29Å; I132-V134 HydrophobicContact CB-CG2 4.38Å; I132-V134 HydrophobicContact CD1-CB 3.86Å; I132-V134 HydrophobicContact CD1-CG2 3.98Å; I132-V134 HydrophobicContact CG1-CB 3.95Å; I132-V134 HydrophobicContact CG1-CG2 4.01Å; I132-V134 PolarHBondContact O-N 3.4Å
133R93.9Very high92.1Very high82 Ų8262.3 Ų62.331%0.30933%0.331SS..THydrogen-bonded Turntrans60.934.4178.9-61.7-94.5172.2144.13.2112.9Y128 D129 N145 A146 D148 H151Y128-R133 WeakPolarHBondContact OH-CD 3.43Å; D129-R133 WeakPolarHBondContact O-CA 3.26Å; D129-R133 PolarHBondContact O-N 2.95Å; R133-N145 CarbonylContact O-C 3.53Å; R133-N145 VanDerWaalsContact O-CA 3.27Å; R133-N145 WeakPolarHBondContact O-CA 3.3Å; R133-A146 PolarHBondContact O-N 2.96Å; R133-D148 IonicContact CZ-OD1 4Å; R133-D148 IonicContact NH1-OD1 2.76Å; R133-D148 PolarHBondContact NH1-OD1 3.39Å; R133-H151 PolarHBondContact NE-ND1 2.97Å; R133-H151 PolarHBondContact NH1-CD2 3.02Å; R133-H151 PolarHBondContact NH2-CD2 2.88Å; R133-H151 PolarHBondContact NH2-NE2 3.43Å; R133-H151 VanDerWaalsContact NH2-NE2 3.16Å
134V95.5Very high92.4Very high19 Ų1965.8 Ų65.812%0.11534%0.342CS..EExtended strand (participates in β ladder)trans-115.5137.7-176.9174.60000110.6Y128 D129 I132 F142 N145Y128-V134 WeakPolarHBondContact CA-O 3.24Å; Y128-V134 WeakPolarHBondContact CD2-O 3.26Å; D129-V134 PolarHBondContact N-O 3.28Å; D129-V134 PolarHBondContact O-N 3.13Å; I132-V134 VanDerWaalsContact C-N 3.29Å; I132-V134 HydrophobicContact CB-CG2 4.38Å; I132-V134 HydrophobicContact CD1-CB 3.86Å; I132-V134 HydrophobicContact CD1-CG2 3.98Å; I132-V134 HydrophobicContact CG1-CB 3.95Å; I132-V134 HydrophobicContact CG1-CG2 4.01Å; I132-V134 PolarHBondContact O-N 3.4Å; V134-F142 HydrophobicContact CG1-CD2 3.6Å; V134-F142 HydrophobicContact CG1-CE2 3.78Å; V134-F142 HydrophobicContact CG2-CE2 4.32Å; V134-N145 WeakPolarHBondContact CG2-OD1 3.4Å
135I95.4Very high92.9Very high0 Ų064.9 Ų64.90%033%0.333CS..EExtended strand (participates in β ladder)trans-99.3127.6164.4-56.372.9000108.3F127 Y128 L143 R144 A146F127-I135 WeakPolarHBondContact O-CA 3.16Å; Y128-I135 HydrophobicContact CD2-CD1 3.68Å; Y128-I135 HydrophobicContact CD2-CG1 3.82Å; Y128-I135 HydrophobicContact CE2-CD1 4.12Å; Y128-I135 HydrophobicContact CG-CG1 4.48Å; I135-L143 HydrophobicContact CG2-CB 4.46Å; I135-L143 HydrophobicContact CG2-CD1 4.12Å; I135-L143 WeakPolarHBondContact O-CB 3.27Å; I135-L143 PolarHBondContact O-N 2.6Å; I135-R144 HydrophobicContact CB-CG 4.28Å; I135-R144 HydrophobicContact CD1-CG 3.87Å; I135-R144 HydrophobicContact CG1-CG 4.35Å; I135-R144 PolarHBondContact N-O 3.35Å; I135-R144 PolarHBondContact O-N 2.91Å; I135-A146 HydrophobicContact CD1-CB 3.73Å
136T94.9Very high93.2Very high41 Ų4162.6 Ų62.625%0.25232%0.322SS..EExtended strand (participates in β ladder)trans-118.1136.6177.2-55.70000108.7G126 F127 G140 E141G126-T136 CarbonylContact C-O 3.48Å; G126-T136 WeakPolarHBondContact CA-O 3.28Å; F127-T136 PolarHBondContact N-O 2.73Å; F127-T136 PolarHBondContact O-N 3.47Å; T136-G140 VanDerWaalsContact CG2-CA 3.42Å; T136-G140 WeakPolarHBondContact CG2-O 3.35Å; T136-E141 CarbonylContact C-O 3.47Å; T136-E141 WeakPolarHBondContact CA-O 3.11Å; T136-E141 WeakPolarHBondContact CG2-O 3.28Å
137S92.1Very high93.4Very high13 Ų1367 Ų679%0.09135%0.346CS..  trans-58.4165.4176.573.90000111.8S139 G140 E141S137-S139 PolarHBondContact O-N 2.93Å; S137-S139 VanDerWaalsContact O-N 3.11Å; S137-S139 PolarHBondContact OG-N 3.38Å; S137-S139 PolarHBondContact OG-OG 2.98Å; S137-G140 PolarHBondContact O-N 2.94Å; S137-G140 PolarHBondContact OG-N 2.83Å; S137-E141 PolarHBondContact N-O 2.98Å; S137-E141 WeakPolarHBondContact OG-CB 3.33Å; S137-E141 PolarHBondContact OG-N 3.46Å; S137-E141 PolarHBondContact OG-O 3.16Å
138Y88.3Confident93.4Very high85 Ų8570.8 Ų70.833%0.33337%0.367SS..THydrogen-bonded Turntrans-61-19.6173.3-58.2-55.7000113.8P114 D122 T124 F127P114-Y138 HydrophobicContact CB-CD1 4.25Å; P114-Y138 HydrophobicContact CB-CE1 4.31Å; P114-Y138 HydrophobicContact CG-CD1 4.34Å; P114-Y138 HydrophobicContact CG-CE1 4.22Å; D122-Y138 PolarHBondContact OD1-OH 3.27Å; T124-Y138 WeakPolarHBondContact CA-OH 3.49Å; T124-Y138 PolarHBondContact N-OH 3.37Å; T124-Y138 PolarHBondContact O-OH 3.15Å; F127-Y138 HydrophobicContact CD1-CD1 4.39Å; F127-Y138 HydrophobicContact CD1-CE1 4.21Å; F127-Y138 HydrophobicContact CD2-CD1 4.23Å; F127-Y138 AromaticContact CE1-CD1 3.92Å; F127-Y138 HydrophobicContact CE1-CD1 3.92Å; F127-Y138 AromaticContact CE1-CE1 3.8Å; F127-Y138 HydrophobicContact CE1-CE1 3.8Å; F127-Y138 AromaticContact CE2-CD1 3.76Å; F127-Y138 HydrophobicContact CE2-CD1 3.76Å; F127-Y138 HydrophobicContact CE2-CE1 4.46Å; F127-Y138 AromaticContact CZ-CD1 3.61Å; F127-Y138 HydrophobicContact CZ-CD1 3.61Å; F127-Y138 AromaticContact CZ-CE1 3.96Å; F127-Y138 HydrophobicContact CZ-CE1 3.96Å
139S88.6Confident93.3Very high90 Ų9076.5 Ų76.563%0.62940%0.398SS*.THydrogen-bonded Turntrans-86.5-5.217451.20000113.9S137 E141S137-S139 PolarHBondContact O-N 2.93Å; S137-S139 VanDerWaalsContact O-N 3.11Å; S137-S139 PolarHBondContact OG-N 3.38Å; S137-S139 PolarHBondContact OG-OG 2.98Å; S139-E141 PolarHBondContact OG-OE2 2.94Å
140G88.1Confident93.2Very high57 Ų5776.7 Ų76.759%0.58840%0.397SS*.SBendtrans91.710.6-178.400000114.7T136 S137T136-G140 VanDerWaalsContact CG2-CA 3.42Å; T136-G140 WeakPolarHBondContact CG2-O 3.35Å; S137-G140 PolarHBondContact O-N 2.94Å; S137-G140 PolarHBondContact OG-N 2.83Å
141E93.3Very high93.2Very high132 Ų13276.9 Ų76.962%0.61740%0.395SS*.  trans-87.3137.2179.4-61.6175.7130.100111T136 S137 S139 L143T136-E141 CarbonylContact C-O 3.47Å; T136-E141 WeakPolarHBondContact CA-O 3.11Å; T136-E141 WeakPolarHBondContact CG2-O 3.28Å; S137-E141 PolarHBondContact N-O 2.98Å; S137-E141 WeakPolarHBondContact OG-CB 3.33Å; S137-E141 PolarHBondContact OG-N 3.46Å; S137-E141 PolarHBondContact OG-O 3.16Å; S139-E141 PolarHBondContact OG-OE2 2.94Å; E141-L143 PolarHBondContact O-N 3.29Å
142F95.1Very high93.1Very high127 Ų12774.3 Ų74.356%0.55739%0.386SS*.EExtended strand (participates in β ladder)trans-60.8129.4174.8172.3-92.5000110.7V134V134-F142 HydrophobicContact CG1-CD2 3.6Å; V134-F142 HydrophobicContact CG1-CE2 3.78Å; V134-F142 HydrophobicContact CG2-CE2 4.32Å
143L93Very high93Very high73 Ų7376.3 Ų76.338%0.38239%0.387SS..EExtended strand (participates in β ladder)trans-104.2-62.4174.8-65.5179.6000111.6D125 I135 E141D125-L143 VanDerWaalsContact O-CD1 3.26Å; D125-L143 WeakPolarHBondContact O-CD1 3.29Å; I135-L143 HydrophobicContact CG2-CB 4.46Å; I135-L143 HydrophobicContact CG2-CD1 4.12Å; I135-L143 WeakPolarHBondContact O-CB 3.27Å; I135-L143 PolarHBondContact O-N 2.6Å; E141-L143 PolarHBondContact O-N 3.29Å
144R95.6Very high92.9Very high85 Ų8572.4 Ų72.432%0.32137%0.372SS..EExtended strand (participates in β ladder)trans-161.1165.9-176.667.8-174.5174.7-84-1.6112.3D125 I135 E150D125-R144 IonicContact OD1-NH2 3.21Å; D125-R144 IonicContact OD2-CZ 2.94Å; D125-R144 IonicContact OD2-NH1 3.6Å; D125-R144 PolarHBondContact OD2-NH1 3.07Å; D125-R144 IonicContact OD2-NH2 3.5Å; D125-R144 PolarHBondContact OD2-NH2 2.8Å; D125-R144 VanDerWaalsContact OD2-NH2 3.07Å; I135-R144 HydrophobicContact CB-CG 4.28Å; I135-R144 HydrophobicContact CD1-CG 3.87Å; I135-R144 HydrophobicContact CG1-CG 4.35Å; I135-R144 PolarHBondContact N-O 3.35Å; I135-R144 PolarHBondContact O-N 2.91Å; R144-E150 IonicContact CZ-OE1 3.33Å; R144-E150 IonicContact NE-OE1 2.68Å; R144-E150 PolarHBondContact NE-OE1 3.42Å; R144-E150 IonicContact NE-OE2 2.84Å; R144-E150 PolarHBondContact NE-OE2 2.87Å; R144-E150 IonicContact NH2-OE1 3.07Å; R144-E150 PolarHBondContact NH2-OE1 3.33Å
145N95.1Very high92.6Very high105 Ų10573.7 Ų73.756%0.56138%0.38SS*.EExtended strand (participates in β ladder)trans-90.2138.4164.2-63.2-49.7000109.2R133 V134R133-N145 CarbonylContact O-C 3.53Å; R133-N145 VanDerWaalsContact O-CA 3.27Å; R133-N145 WeakPolarHBondContact O-CA 3.3Å; V134-N145 WeakPolarHBondContact CG2-OD1 3.4Å
146A93.6Very high92.2Very high12 Ų1277.6 Ų77.610%0.09941%0.407CS..  trans-77.9133.1172.900000110.4Y128 R133 I135 E150Y128-A146 HydrophobicContact CD2-CB 4.26Å; Y128-A146 HydrophobicContact CE2-CB 3.45Å; Y128-A146 VanDerWaalsContact CE2-CB 3.45Å; R133-A146 PolarHBondContact O-N 2.96Å; I135-A146 HydrophobicContact CD1-CB 3.73Å; A146-E150 HydrophobicContact CB-CB 4.23Å; A146-E150 HydrophobicContact CB-CG 4.2Å
147D94.3Very high91.8Very high93 Ų9379.7 Ų79.750%0.49742%0.42SS..  trans-75179.216470.825.1000111.2N149 E150 H151D147-N149 VanDerWaalsContact C-N 3.33Å; D147-N149 PolarHBondContact O-N 3.16Å; D147-N149 WeakPolarHBondContact OD1-CB 3.48Å; D147-N149 PolarHBondContact OD1-N 3.47Å; D147-E150 WeakPolarHBondContact OD1-CB 3.16Å; D147-E150 PolarHBondContact OD1-N 3.22Å; D147-H151 VanDerWaalsContact O-CB 3.3Å; D147-H151 WeakPolarHBondContact O-CB 3.47Å; D147-H151 PolarHBondContact O-N 2.91Å
148D94.4Very high91.6Very high109 Ų10979.9 Ų79.958%0.58342%0.421SS*.Hα-helixtrans-65.6-35.5-178.2-72.2-34.7000112.7R133 E152R133-D148 IonicContact CZ-OD1 4Å; R133-D148 IonicContact NH1-OD1 2.76Å; R133-D148 PolarHBondContact NH1-OD1 3.39Å; D148-E152 WeakPolarHBondContact O-CB 3.34Å; D148-E152 WeakPolarHBondContact O-CG 3.07Å; D148-E152 PolarHBondContact O-N 3.4Å
149N93.4Very high91.4Very high120 Ų12080.1 Ų80.164%0.64242%0.422SS*.Hα-helixtrans-69.7-44.9178.9-64.4-39.3000111D147 H151 E152 W153D147-N149 VanDerWaalsContact C-N 3.33Å; D147-N149 PolarHBondContact O-N 3.16Å; D147-N149 WeakPolarHBondContact OD1-CB 3.48Å; D147-N149 PolarHBondContact OD1-N 3.47Å; N149-H151 VanDerWaalsContact C-N 3.35Å; N149-E152 PolarHBondContact O-N 2.73Å; N149-W153 WeakPolarHBondContact O-CB 3.32Å; N149-W153 PolarHBondContact O-N 2.72Å
150E92.8Very high91.4Very high47 Ų4779.8 Ų79.822%0.2241%0.407CS..Hα-helixtrans-65.2-40.2177.2-174.1173-158.300110.5R144 A146 D147 W153 I154R144-E150 IonicContact CZ-OE1 3.33Å; R144-E150 IonicContact NE-OE1 2.68Å; R144-E150 PolarHBondContact NE-OE1 3.42Å; R144-E150 IonicContact NE-OE2 2.84Å; R144-E150 PolarHBondContact NE-OE2 2.87Å; R144-E150 IonicContact NH2-OE1 3.07Å; R144-E150 PolarHBondContact NH2-OE1 3.33Å; A146-E150 HydrophobicContact CB-CB 4.23Å; A146-E150 HydrophobicContact CB-CG 4.2Å; D147-E150 WeakPolarHBondContact OD1-CB 3.16Å; D147-E150 PolarHBondContact OD1-N 3.22Å; E150-W153 PolarHBondContact O-N 2.89Å; E150-I154 HydrophobicContact CG-CD1 3.64Å; E150-I154 HydrophobicContact CG-CG1 4.24Å; E150-I154 WeakPolarHBondContact O-CB 3.44Å; E150-I154 WeakPolarHBondContact O-CD1 3.47Å; E150-I154 WeakPolarHBondContact O-CG1 3.37Å; E150-I154 PolarHBondContact O-N 2.97Å
151H94.1Very high91.4Very high37 Ų3778.8 Ų78.817%0.17139%0.393CS..Hα-helixtrans-57.7-52.9172.8169.976000112.4Y128 R133 D147 N149 W153 I154 V155Y128-H151 AromaticContact CE1-ND1 3.85Å; Y128-H151 AromaticContact CZ-ND1 3.7Å; Y128-H151 PolarHBondContact OH-ND1 3.31Å; R133-H151 PolarHBondContact NE-ND1 2.97Å; R133-H151 PolarHBondContact NH1-CD2 3.02Å; R133-H151 PolarHBondContact NH2-CD2 2.88Å; R133-H151 PolarHBondContact NH2-NE2 3.43Å; R133-H151 VanDerWaalsContact NH2-NE2 3.16Å; D147-H151 VanDerWaalsContact O-CB 3.3Å; D147-H151 WeakPolarHBondContact O-CB 3.47Å; D147-H151 PolarHBondContact O-N 2.91Å; N149-H151 VanDerWaalsContact C-N 3.35Å; H151-W153 VanDerWaalsContact C-N 3.28Å; H151-W153 PolarHBondContact O-N 2.77Å; H151-I154 PolarHBondContact O-N 3.36Å; H151-V155 WeakPolarHBondContact O-CB 3.37Å; H151-V155 WeakPolarHBondContact O-CG2 3.34Å; H151-V155 PolarHBondContact O-N 2.74Å
152E91.8Very high91.1Very high128 Ų12877.6 Ų77.660%0.59838%0.383SS*.Hα-helixtrans-60.9-40.4-179.4-75.1180-175.900111.3D148 N149 S156D148-E152 WeakPolarHBondContact O-CB 3.34Å; D148-E152 WeakPolarHBondContact O-CG 3.07Å; D148-E152 PolarHBondContact O-N 3.4Å; N149-E152 PolarHBondContact O-N 2.73Å; E152-S156 VanDerWaalsContact O-CB 3.3Å; E152-S156 WeakPolarHBondContact O-CB 3.44Å; E152-S156 PolarHBondContact O-N 3.21Å; E152-S156 VanDerWaalsContact O-N 3.16Å; E152-S156 PolarHBondContact O-OG 3.48Å
153W90.9Very high90.3Very high147 Ų14779.1 Ų79.156%0.55740%0.397SS*.Hα-helixtrans-65.4-47177-174.382.1000112.3N149 E150 H151 S156 T157 C158N149-W153 WeakPolarHBondContact O-CB 3.32Å; N149-W153 PolarHBondContact O-N 2.72Å; E150-W153 PolarHBondContact O-N 2.89Å; H151-W153 VanDerWaalsContact C-N 3.28Å; H151-W153 PolarHBondContact O-N 2.77Å; W153-S156 PolarHBondContact O-N 3.27Å; W153-S156 PolarHBondContact O-OG 3Å; W153-T157 HydrophobicContact CZ2-CG2 4.05Å; W153-T157 VanDerWaalsContact O-CB 3.24Å; W153-T157 WeakPolarHBondContact O-CB 3.49Å; W153-T157 PolarHBondContact O-N 3.42Å; W153-T157 PolarHBondContact O-OG1 3.47Å; W153-C158 VanDerWaalsContact CZ3-SG 3.57Å
154I90.9Very high89Confident1 Ų178 Ų781%0.00539%0.393CS..Hα-helixtrans-62.2-49179.8-67.9165.7000110.6Y121 C123 Y128 E150 H151 S156 T157 C158Y121-I154 VanDerWaalsContact CB-CG2 3.5Å; Y121-I154 HydrophobicContact CD1-CG2 4.23Å; Y121-I154 HydrophobicContact CD2-CG2 4.39Å; Y121-I154 HydrophobicContact CG-CG2 3.81Å; C123-I154 VanDerWaalsContact SG-CD1 3.55Å; Y128-I154 HydrophobicContact CD1-CB 4.09Å; Y128-I154 HydrophobicContact CD1-CD1 4.07Å; Y128-I154 HydrophobicContact CD1-CG2 3.38Å; Y128-I154 HydrophobicContact CD2-CD1 4Å; Y128-I154 HydrophobicContact CE1-CB 4.37Å; Y128-I154 HydrophobicContact CE1-CD1 4.44Å; Y128-I154 HydrophobicContact CE1-CG2 4.07Å; Y128-I154 HydrophobicContact CE2-CD1 4.38Å; Y128-I154 HydrophobicContact CG-CD1 3.8Å; Y128-I154 HydrophobicContact CG-CG2 3.93Å; E150-I154 HydrophobicContact CG-CD1 3.64Å; E150-I154 HydrophobicContact CG-CG1 4.24Å; E150-I154 WeakPolarHBondContact O-CB 3.44Å; E150-I154 WeakPolarHBondContact O-CD1 3.47Å; E150-I154 WeakPolarHBondContact O-CG1 3.37Å; E150-I154 PolarHBondContact O-N 2.97Å; H151-I154 PolarHBondContact O-N 3.36Å; I154-S156 PolarHBondContact O-N 3.11Å; I154-T157 PolarHBondContact O-N 3.02Å; I154-C158 HydrophobicContact CG2-CB 3.91Å; I154-C158 VanDerWaalsContact O-CB 3.26Å; I154-C158 WeakPolarHBondContact O-CB 3.26Å; I154-C158 PolarHBondContact O-N 2.93Å
155V90.1Very high87.3Confident45 Ų4577.8 Ų77.827%0.27340%0.402SS..Hα-helixtrans-64.2-31.2-177.11720000112.2Y121 Y128 H151Y121-V155 HydrophobicContact CE2-CG2 4.23Å; Y128-V155 HydrophobicContact CE1-CG2 4.44Å; H151-V155 WeakPolarHBondContact O-CB 3.37Å; H151-V155 WeakPolarHBondContact O-CG2 3.34Å; H151-V155 PolarHBondContact O-N 2.74Å
156S86.6Confident85.5Confident82 Ų8280 Ų8057%0.57341%0.413SS*.Hα-helixtrans-85-31.6-179.9590000114E152 W153 I154E152-S156 VanDerWaalsContact O-CB 3.3Å; E152-S156 WeakPolarHBondContact O-CB 3.44Å; E152-S156 PolarHBondContact O-N 3.21Å; E152-S156 VanDerWaalsContact O-N 3.16Å; E152-S156 PolarHBondContact O-OG 3.48Å; W153-S156 PolarHBondContact O-N 3.27Å; W153-S156 PolarHBondContact O-OG 3Å; I154-S156 PolarHBondContact O-N 3.11Å
157T85.3Confident83.7Confident86 Ų8685 Ų8553%0.52844%0.443SS..Hα-helixtrans-118.7-31.4-164-49.50000113.8W153 I154W153-T157 HydrophobicContact CZ2-CG2 4.05Å; W153-T157 VanDerWaalsContact O-CB 3.24Å; W153-T157 WeakPolarHBondContact O-CB 3.49Å; W153-T157 PolarHBondContact O-N 3.42Å; W153-T157 PolarHBondContact O-OG1 3.47Å; I154-T157 PolarHBondContact O-N 3.02Å
158C87.6Confident82Confident16 Ų1686 Ų8611%0.10845%0.448CS..SBendtrans-78.4154-173.4-72.40000112.9Y121 D122 W153 I154Y121-C158 HydrophobicContact CD1-CB 4.29Å; D122-C158 WeakPolarHBondContact O-CB 3.43Å; W153-C158 VanDerWaalsContact CZ3-SG 3.57Å; I154-C158 HydrophobicContact CG2-CB 3.91Å; I154-C158 VanDerWaalsContact O-CB 3.26Å; I154-C158 WeakPolarHBondContact O-CB 3.26Å; I154-C158 PolarHBondContact O-N 2.93Å
159R85.1Confident80.1Confident91 Ų9185.7 Ų85.734%0.34345%0.445SS..EExtended strand (participates in β ladder)trans-62138.9169.1-175.3-176.7171.6-169.4-3.1108.8I116 Y121 D122I116-R159 HydrophobicContact CD1-CB 4.26Å; I116-R159 HydrophobicContact CD1-CG 3.7Å; Y121-R159 CarbonylContact C-O 3.48Å; Y121-R159 VanDerWaalsContact CA-O 3.28Å; Y121-R159 WeakPolarHBondContact CA-O 3.38Å; D122-R159 HydrophobicContact CB-CB 4.38Å; D122-R159 PolarHBondContact N-O 2.96Å
160R88.8Confident78Confident83 Ų8385 Ų8531%0.31345%0.447SS..EExtended strand (participates in β ladder)trans-122.3160.7-176.376.6-167.692.1-1575.4110.4Y121 W162Y121-R160 HydrophobicContact CD1-CB 3.61Å; Y121-R160 HydrophobicContact CE1-CB 3.58Å; Y121-R160 HydrophobicContact CG-CB 4.31Å; R160-W162 HydrophobicContact CB-CD2 4.47Å; R160-W162 HydrophobicContact CB-CE3 4.4Å; R160-W162 HydrophobicContact CB-CH2 4.31Å; R160-W162 HydrophobicContact CB-CZ2 4.4Å; R160-W162 HydrophobicContact CB-CZ3 4.27Å; R160-W162 HydrophobicContact CG-CD2 4.02Å; R160-W162 HydrophobicContact CG-CE3 4.39Å; R160-W162 HydrophobicContact CG-CG 4.29Å; R160-W162 HydrophobicContact CG-CZ2 4.39Å; R160-W162 WeakPolarHBondContact CG-O 3.42Å; R160-W162 PolarHBondContact O-N 3.43Å
161A88.9Confident75.9Confident36 Ų3690.5 Ų90.530%0.29848%0.477SS..SBendtrans-69.5-13.3-176.400000115I116 P117 C120I116-A161 HydrophobicContact CB-CB 3.9Å; I116-A161 HydrophobicContact CG2-CB 3.86Å; P117-A161 VanDerWaalsContact O-CB 3.23Å; P117-A161 WeakPolarHBondContact O-CB 3.27Å; C120-A161 PolarHBondContact O-N 2.77Å; C120-A161 VanDerWaalsContact O-N 3.13Å
162W86.7Confident73.7Confident107 Ų10798 Ų9841%0.40551%0.512SS..SBendtrans-123.8152.2-179.160.695.5000111.9G119 Y121 R160G119-W162 VanDerWaalsContact C-CZ3 3.44Å; Y121-W162 AromaticContact CE2-CH2 3.74Å; Y121-W162 HydrophobicContact CE2-CH2 3.74Å; Y121-W162 HydrophobicContact CE2-CZ2 4.44Å; Y121-W162 AromaticContact CZ-CH2 3.71Å; Y121-W162 AromaticContact CZ-CZ2 3.97Å; Y121-W162 WeakPolarHBondContact OH-CZ2 3.37Å; R160-W162 HydrophobicContact CB-CD2 4.47Å; R160-W162 HydrophobicContact CB-CE3 4.4Å; R160-W162 HydrophobicContact CB-CH2 4.31Å; R160-W162 HydrophobicContact CB-CZ2 4.4Å; R160-W162 HydrophobicContact CB-CZ3 4.27Å; R160-W162 HydrophobicContact CG-CD2 4.02Å; R160-W162 HydrophobicContact CG-CE3 4.39Å; R160-W162 HydrophobicContact CG-CG 4.29Å; R160-W162 HydrophobicContact CG-CZ2 4.39Å; R160-W162 WeakPolarHBondContact CG-O 3.42Å; R160-W162 PolarHBondContact O-N 3.43Å
163D77.5Confident71.2Confident159 Ų15997.6 Ų97.685%0.8552%0.519SS*.PPolyproline II helixtrans-79139.2171.1-64.2-45.1000110.4
164V64.9Low68.9Low50 Ų5095.7 Ų95.730%0.30353%0.528SS..PPolyproline II helixtrans-91.3126.1168.5-177.40000107.4L166 D168V164-L166 PolarHBondContact O-N 2.76Å; V164-D168 HydrophobicContact CG1-CB 4.01Å
165P60.8Low66.5Low80 Ų80106.9 Ų106.952%0.51957%0.57SS.*PPolyproline II helixtrans-58.4139.5173.7-4.812.4000110T167 D168P165-T167 PolarHBondContact O-N 2.84Å; P165-D168 PolarHBondContact O-N 2.86Å; P165-D168 VanDerWaalsContact O-N 3.11Å
166L56.8Low64.4Low151 Ų151112 Ų11279%0.79160%0.596SS**G310 helixtrans-56-13.6-177.4-70.6168.3000114.4V164 D168 I169V164-L166 PolarHBondContact O-N 2.76Å; L166-D168 VanDerWaalsContact C-N 3.28Å; L166-D168 PolarHBondContact O-N 3.07Å; L166-I169 HydrophobicContact CD2-CD1 3.85Å
167T56.8Low62.2Low118 Ų118116.7 Ų116.772%0.72461%0.609SS**G310 helixtrans-70.3-20.4178.554.10000114P165P165-T167 PolarHBondContact O-N 2.84Å
168D57.3Low60.2Low112 Ų112121.8 Ų121.860%0.59965%0.648SS**G310 helixtrans-1076.9-171.2-61-20.2000113.2V164 P165 L166 P170V164-D168 HydrophobicContact CG1-CB 4.01Å; P165-D168 PolarHBondContact O-N 2.86Å; P165-D168 VanDerWaalsContact O-N 3.11Å; L166-D168 VanDerWaalsContact C-N 3.28Å; L166-D168 PolarHBondContact O-N 3.07Å; D168-P170 VanDerWaalsContact O-CD 3.25Å; D168-P170 WeakPolarHBondContact O-CD 3.44Å
169I55.8Low58.8Low103 Ų103127.1 Ų127.153%0.52868%0.675SS.*SBendtrans-84.5111.7174.9-53.7176.4000107.8L166 L171L166-I169 HydrophobicContact CD2-CD1 3.85Å; I169-L171 PolarHBondContact O-N 2.68Å; I169-L171 VanDerWaalsContact O-N 3.14Å
170P49.1Very low57.4Low106 Ų106128.9 Ų128.969%0.68869%0.693SS**  trans-60.5123.3174.223-30.2000108.7D168 Q172D168-P170 VanDerWaalsContact O-CD 3.25Å; D168-P170 WeakPolarHBondContact O-CD 3.44Å; P170-Q172 PolarHBondContact O-N 3.42Å
171L47.5Very low55.7Low162 Ų162131.5 Ų131.585%0.84871%0.714SS**  trans-51106.8171.1-79.7158.3000107.9I169 T173I169-L171 PolarHBondContact O-N 2.68Å; I169-L171 VanDerWaalsContact O-N 3.14Å; L171-T173 PolarHBondContact O-N 2.86Å
172Q48.9Very low53.7Low194 Ų194137.1 Ų137.191%0.90774%0.738SS**  trans-66.390.5166.2-77.7-164.4-16.500106.9P170 S174P170-Q172 PolarHBondContact O-N 3.42Å; Q172-S174 PolarHBondContact O-N 3.39Å
173T39.8Very low51.7Low120 Ų120139 Ų13974%0.73676%0.759SS**  trans-64.5102.3164.549.10000106.7L171 R175L171-T173 PolarHBondContact O-N 2.86Å; T173-R175 PolarHBondContact O-N 3.34Å
174S41.4Very low50Low107 Ų107137.7 Ų137.775%0.74875%0.753SS**  trans-56.9108.9169.845.60000108.7Q172 N176Q172-S174 PolarHBondContact O-N 3.39Å; S174-N176 VanDerWaalsContact C-N 3.29Å; S174-N176 PolarHBondContact O-N 2.96Å
175R41.3Very low48.9Very low236 Ų236143.9 Ų143.989%0.89179%0.785SS**  trans-71.592161.7-75.5-175-174.21772.6107.4T173T173-R175 PolarHBondContact O-N 3.34Å
176N44.6Very low48Very low154 Ų154148.8 Ų148.882%0.82481%0.805SS**  trans-89.1104.2149-81.8-9.1000106.9S174S174-N176 VanDerWaalsContact C-N 3.29Å; S174-N176 PolarHBondContact O-N 2.96Å
177Q42.3Very low47.2Very low179 Ų179148.7 Ų148.784%0.83681%0.807SS**  trans-126.1127.1158.8-84.4-169.2-5.900109.6
178S42Very low46.4Very low193 Ų193151.5 Ų151.5100%1.3581%0.814SS**  trans56.40159.665.20000119

Retrieved 178 of 178 residues in 31.6 ms (Link to these results)

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