A0A096NHH8_PAPAN Loading...

Tapasin

Involved in the association of MHC class I with transporter associated with antigen processing (TAP) and in the assembly of MHC class I with peptide (peptide loading).

AlphaFold DB , UniProt , Accession A0A096NHH8, Species PAPAN (Papio anubis, Olive baboon), Gene TAPBP, Length 503 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
1M47.1Very low44.2Very low237 Ų237123.9 Ų123.9100%1.16770%0.702SS**  032.80-65.2168.668.300114.1
2K44.8Very low44Very low194 Ų194124.4 Ų124.484%0.84370%0.7SS**  trans-123.8-9.5177.6-81.6179.3175177.60115
3S45.1Very low43.4Very low91 Ų91119.7 Ų119.764%0.63670%0.696SS**SBendtrans-90.2-29.4-179.6-1800000113.2S5 L6S3-S5 VanDerWaalsContact C-N 3.34Å; S3-S5 PolarHBondContact O-N 3.48Å; S3-L6 PolarHBondContact O-N 2.96Å
4L45.7Very low43Very low146 Ų146120.7 Ų120.776%0.76470%0.697SS**Hα-helixtrans-68.8-29.7177.2-112.594.7000113.6L6 L8L4-L6 VanDerWaalsContact C-N 3.33Å; L4-L6 PolarHBondContact O-N 3.09Å; L4-L8 PolarHBondContact O-N 3.29Å
5S47.9Very low42.8Very low90 Ų90118.4 Ų118.463%0.62970%0.698SS**Hα-helixtrans-75.8-22.5-177.4-148.80000113S3S3-S5 VanDerWaalsContact C-N 3.34Å; S3-S5 PolarHBondContact O-N 3.48Å
6L44.3Very low42.6Very low132 Ų132118.4 Ų118.469%0.69170%0.699SS**Hα-helixtrans-80.5-35178-129.794.4000111.7S3 L4 A9 V10S3-L6 PolarHBondContact O-N 2.96Å; L4-L6 VanDerWaalsContact C-N 3.33Å; L4-L6 PolarHBondContact O-N 3.09Å; L6-A9 PolarHBondContact O-N 3.44Å; L6-V10 WeakPolarHBondContact O-CG2 3.38Å; L6-V10 PolarHBondContact O-N 3.2Å
7L44.2Very low42.5Very low123 Ų123116.8 Ų116.864%0.64470%0.702SS**Hα-helixtrans-69.6-33175.8-85.2154.5000112.2V10 A11L7-V10 PolarHBondContact O-N 3.42Å; L7-A11 PolarHBondContact O-N 3.46Å; L7-A11 VanDerWaalsContact O-N 3.12Å
8L43.4Very low42.8Very low112 Ų112116.8 Ų116.859%0.58670%0.703SS**Hα-helixtrans-68.6-35.5174.5-132.483.5000112.1L4 A11 L12L4-L8 PolarHBondContact O-N 3.29Å; L8-A11 PolarHBondContact O-N 3.37Å; L8-L12 HydrophobicContact CD2-CD1 4.28Å; L8-L12 HydrophobicContact CG-CD1 4.27Å; L8-L12 WeakPolarHBondContact O-CB 3.43Å; L8-L12 WeakPolarHBondContact O-CD1 3.48Å; L8-L12 PolarHBondContact O-N 3.15Å
9A41.7Very low43Very low65 Ų65112.4 Ų112.454%0.53768%0.678SS.*Hα-helixtrans-70.5-31.217800000112.9L6 G13L6-A9 PolarHBondContact O-N 3.44Å; A9-G13 PolarHBondContact O-N 2.87Å; A9-G13 VanDerWaalsContact O-N 3.13Å
10V41.7Very low44.1Very low95 Ų95109 Ų10958%0.57666%0.662SS**Hα-helixtrans-76.1-33.5174.4177.90000111.5L6 L7L6-V10 WeakPolarHBondContact O-CG2 3.38Å; L6-V10 PolarHBondContact O-N 3.2Å; L7-V10 PolarHBondContact O-N 3.42Å
11A40.8Very low45.4Very low78 Ų78104.5 Ų104.565%0.64564%0.638SS**Hα-helixtrans-73.3-31175.100000113.4L7 L8L7-A11 PolarHBondContact O-N 3.46Å; L7-A11 VanDerWaalsContact O-N 3.12Å; L8-A11 PolarHBondContact O-N 3.37Å
12L41Very low47Very low130 Ų13094.7 Ų94.768%0.68159%0.592SS**Hα-helixtrans-84.8-13.8174.8-86.6139.5000113.7L8L8-L12 HydrophobicContact CD2-CD1 4.28Å; L8-L12 HydrophobicContact CG-CD1 4.27Å; L8-L12 WeakPolarHBondContact O-CB 3.43Å; L8-L12 WeakPolarHBondContact O-CD1 3.48Å; L8-L12 PolarHBondContact O-N 3.15Å
13G36.2Very low48.9Very low63 Ų6387.6 Ų87.665%0.64957%0.57SS**THydrogen-bonded Turntrans-89.4-2.918000000115.8A9A9-G13 PolarHBondContact O-N 2.87Å; A9-G13 VanDerWaalsContact O-N 3.13Å
14L38.2Very low51Low134 Ų13485.4 Ų85.470%0.70255%0.552SS**THydrogen-bonded Turntrans-107.48.8178-98.5133.1000113.9T16L14-T16 PolarHBondContact O-N 3.02Å
15A39.4Very low53.3Low86 Ų8678.7 Ų78.771%0.71152%0.517SS*.  trans-79.570.6160.200000108.3A17A15-A17 PolarHBondContact O-N 2.93Å; A15-A17 VanDerWaalsContact O-N 3.13Å
16T39.9Very low55.5Low118 Ų11879.1 Ų79.172%0.72451%0.509SS*.  trans-50.7122.9164.149.30000107.3L14 V18L14-T16 PolarHBondContact O-N 3.02Å; T16-V18 PolarHBondContact O-N 3.45Å
17A41.8Very low58Low91 Ų9173 Ų7375%0.75248%0.477SS*.  trans-39.4114.6179.700000110.4A15 S19A15-A17 PolarHBondContact O-N 2.93Å; A15-A17 VanDerWaalsContact O-N 3.13Å; A17-S19 VanDerWaalsContact C-N 3.32Å; A17-S19 PolarHBondContact O-N 3.14Å
18V46.9Very low60.5Low117 Ų11773.8 Ų73.871%0.70947%0.472SS*.  trans-61.599.9173176.40000105.9T16 A20 R84T16-V18 PolarHBondContact O-N 3.45Å; V18-A20 PolarHBondContact O-N 3.48Å; V18-A20 VanDerWaalsContact O-N 3.13Å; V18-R84 PolarHBondContact O-NH2 3.26Å
19S47.8Very low63Low34 Ų3468.7 Ų68.724%0.23845%0.445CS..  trans-61.7122.4167.5-165.80000105.7A17 R80 Y82A17-S19 VanDerWaalsContact C-N 3.32Å; A17-S19 PolarHBondContact O-N 3.14Å; S19-R80 CarbonylContact C-O 3.58Å; S19-R80 VanDerWaalsContact C-O 3.24Å; S19-R80 WeakPolarHBondContact CB-O 3.43Å; S19-Y82 PolarHBondContact OG-O 2.86Å
20A64.8Low65.4Low44 Ų4466.2 Ų66.236%0.36442%0.423SS..  trans-112.786.9172.500000102.4V18V18-A20 PolarHBondContact O-N 3.48Å; V18-A20 VanDerWaalsContact O-N 3.13Å
21G70.6Confident67.6Low14 Ų1464.1 Ų64.114%0.14441%0.407CS..  trans-62.3-153.8176.300000112.3A23 R48 F79G21-A23 PolarHBondContact O-N 3.4Å; G21-R48 VanDerWaalsContact C-NH2 3.26Å; G21-R48 PolarHBondContact O-NH2 3.38Å; G21-F79 WeakPolarHBondContact CA-O 3.22Å; G21-F79 PolarHBondContact N-O 2.99Å
22P80.4Confident69.2Low32 Ų3267.1 Ų67.121%0.20841%0.412CS..  trans-61.2138.8179.923.6-30.5000111.5I25 R48 F79P22-I25 HydrophobicContact CB-CG1 4.38Å; P22-I25 HydrophobicContact CG-CG1 4.36Å; P22-R48 PolarHBondContact O-NH2 3.27Å; P22-F79 HydrophobicContact CG-CD1 3.82Å
23A84.6Confident70.6Confident45 Ų4563.9 Ų63.937%0.37240%0.398SS..SBendtrans-90.7-32.3172.300000111.5G21 L47 R48G21-A23 PolarHBondContact O-N 3.4Å; A23-L47 PolarHBondContact O-N 2.66Å; A23-R48 PolarHBondContact O-N 3.48Å
24V90.4Very high71.5Confident45 Ų4567 Ų6727%0.27341%0.409SS..EExtended strand (participates in β ladder)trans-122.4139.1174.3-178.50000108.2A44 L45 L46V24-A44 HydrophobicContact CG1-CB 3.99Å; V24-L45 CarbonylContact C-O 3.44Å; V24-L45 VanDerWaalsContact CA-O 3.3Å; V24-L45 WeakPolarHBondContact CA-O 3.48Å; V24-L46 HydrophobicContact CG2-CD1 3.71Å
25I93.4Very high72.4Confident5 Ų564.6 Ų64.63%0.02642%0.417CS..EExtended strand (participates in β ladder)trans-114.7121173-59.7-175.3000108.4P22 A44 L45 L47 F79 P89 C91 M128P22-I25 HydrophobicContact CB-CG1 4.38Å; P22-I25 HydrophobicContact CG-CG1 4.36Å; I25-A44 CarbonylContact O-C 3.58Å; I25-A44 VanDerWaalsContact O-CA 3.3Å; I25-A44 WeakPolarHBondContact O-CA 3.36Å; I25-L45 HydrophobicContact CB-CB 4.4Å; I25-L45 PolarHBondContact N-O 2.91Å; I25-L45 PolarHBondContact O-N 3.19Å; I25-L47 HydrophobicContact CD1-CD1 3.46Å; I25-L47 VanDerWaalsContact CD1-CD1 3.46Å; I25-L47 HydrophobicContact CD1-CG 4.28Å; I25-L47 HydrophobicContact CG1-CD1 3.91Å; I25-L47 HydrophobicContact CG1-CG 4.38Å; I25-F79 HydrophobicContact CD1-CD1 3.8Å; I25-F79 HydrophobicContact CD1-CD2 3.82Å; I25-F79 HydrophobicContact CD1-CE1 3.6Å; I25-F79 HydrophobicContact CD1-CE2 3.58Å; I25-F79 HydrophobicContact CD1-CG 3.93Å; I25-F79 HydrophobicContact CD1-CZ 3.49Å; I25-F79 VanDerWaalsContact CD1-CZ 3.49Å; I25-P89 HydrophobicContact CD1-CG 4.35Å; I25-P89 HydrophobicContact CG2-CG 4.25Å; I25-C91 HydrophobicContact CG2-CB 3.72Å; I25-M128 HydrophobicContact CD1-CE 3.91Å; I25-M128 HydrophobicContact CD1-SD 3.64Å; I25-M128 HydrophobicContact CG2-CE 4.41Å; I25-M128 HydrophobicContact CG2-SD 4.38Å
26E95.1Very high73.2Confident99 Ų9969.9 Ų69.946%0.46342%0.424SS..EExtended strand (participates in β ladder)trans-76.9130.5173.2-62.4-63.8153.100109.5R57 C91E26-R57 VanDerWaalsContact CD-NH2 3.35Å; E26-R57 IonicContact OE1-CZ 3.22Å; E26-R57 IonicContact OE1-NE 2.63Å; E26-R57 IonicContact OE1-NH2 3.5Å; E26-R57 PolarHBondContact OE1-NH2 3.39Å; E26-R57 IonicContact OE2-NH2 3.46Å; E26-R57 PolarHBondContact OE2-NH2 2.89Å; E26-C91 WeakPolarHBondContact O-CB 3.39Å
27C96.1Very high74.4Confident3 Ų366.3 Ų66.32%0.0241%0.411CS..EExtended strand (participates in β ladder)trans-134.1152.8-171.5-63.50000111.3G43 C91 M93C27-G43 PolarHBondContact N-O 3.4Å; C27-G43 CarbonylContact O-C 3.5Å; C27-G43 PolarHBondContact O-N 3.11Å; C27-C91 WeakPolarHBondContact CA-O 3.11Å; C27-C91 HydrophobicContact CB-CB 3.75Å; C27-C91 WeakPolarHBondContact CB-SG 3.38Å; C27-C91 WeakPolarHBondContact SG-CB 3.48Å; C27-C91 CovalentContact SG-SG 2.03Å; C27-C91 PolarHBondContact SG-SG 3.09Å; C27-M93 HydrophobicContact CB-CE 3.65Å; C27-M93 HydrophobicContact CB-CG 3.82Å; C27-M93 HydrophobicContact CB-SD 3.89Å
28W96.1Very high76.2Confident140 Ų14066.4 Ų66.453%0.5340%0.398SS..EExtended strand (participates in β ladder)trans-102.9118.4171.3-68.398.6000110K40 P42 C91 E92 M93W28-K40 HydrophobicContact CE3-CB 4.01Å; W28-P42 HydrophobicContact CZ3-CB 4.35Å; W28-C91 PolarHBondContact N-O 2.87Å; W28-E92 CarbonylContact O-C 3.55Å; W28-E92 WeakPolarHBondContact O-CA 3.49Å; W28-M93 PolarHBondContact O-N 3.21Å
29F95.5Very high78.1Confident5 Ų562.7 Ų62.72%0.02238%0.38CS..EExtended strand (participates in β ladder)trans-80.5127.1169.3-177.7-108.7000110.2E31 K40 R41 L64 M93 R95 L124F29-E31 HydrophobicContact CD1-CG 3.92Å; F29-E31 HydrophobicContact CE1-CG 3.26Å; F29-E31 VanDerWaalsContact CE1-OE1 3.25Å; F29-E31 WeakPolarHBondContact CE1-OE1 3.32Å; F29-E31 HydrophobicContact CZ-CG 3.71Å; F29-E31 WeakPolarHBondContact CZ-OE1 3.46Å; F29-K40 CarbonylContact O-C 3.55Å; F29-K40 WeakPolarHBondContact O-CA 3.45Å; F29-R41 HydrophobicContact CB-CB 4.36Å; F29-R41 HydrophobicContact CD1-CB 4.49Å; F29-R41 PolarHBondContact N-O 3.47Å; F29-R41 PolarHBondContact O-N 2.71Å; F29-L64 HydrophobicContact CB-CD1 3.87Å; F29-L64 HydrophobicContact CB-CD2 4Å; F29-L64 HydrophobicContact CD1-CD1 4.03Å; F29-L64 HydrophobicContact CD1-CD2 3.95Å; F29-L64 HydrophobicContact CD2-CD2 3.85Å; F29-L64 HydrophobicContact CE1-CD2 4.32Å; F29-L64 HydrophobicContact CE2-CD2 4.27Å; F29-L64 HydrophobicContact CG-CD1 4.1Å; F29-L64 HydrophobicContact CG-CD2 3.66Å; F29-L64 HydrophobicContact CZ-CD2 4.46Å; F29-M93 CarbonylContact C-O 3.58Å; F29-M93 VanDerWaalsContact CA-O 3.29Å; F29-M93 WeakPolarHBondContact CA-O 3.38Å; F29-M93 HydrophobicContact CB-CB 4.47Å; F29-M93 HydrophobicContact CB-CE 4.3Å; F29-M93 HydrophobicContact CD2-CB 3.95Å; F29-R95 HydrophobicContact CE2-CG 4.3Å; F29-R95 HydrophobicContact CZ-CG 3.97Å; F29-L124 HydrophobicContact CE2-CD2 3.78Å
30V93.6Very high80.2Confident13 Ų1366.9 Ų66.98%0.07939%0.394CS..EExtended strand (participates in β ladder)trans-122.5127.2-168.5178.20000110.2L38 A39 K40 E92 M93V30-L38 HydrophobicContact CG1-CD1 3.46Å; V30-L38 VanDerWaalsContact CG1-CD1 3.46Å; V30-L38 HydrophobicContact CG1-CD2 3.52Å; V30-L38 HydrophobicContact CG1-CG 3.45Å; V30-L38 VanDerWaalsContact CG1-CG 3.45Å; V30-A39 WeakPolarHBondContact CA-O 3.35Å; V30-K40 HydrophobicContact CG2-CG 4.32Å; V30-E92 HydrophobicContact CB-CG 4.19Å; V30-E92 HydrophobicContact CG2-CG 3.55Å; V30-M93 PolarHBondContact N-O 3.01Å
31E86.9Confident81.5Confident50 Ų5069.8 Ų69.823%0.23440%0.395CS..EExtended strand (participates in β ladder)trans-134.6140.7175.2-50-144.9117.800112.2F29 T33 A39 R95F29-E31 HydrophobicContact CD1-CG 3.92Å; F29-E31 HydrophobicContact CE1-CG 3.26Å; F29-E31 VanDerWaalsContact CE1-OE1 3.25Å; F29-E31 WeakPolarHBondContact CE1-OE1 3.32Å; F29-E31 HydrophobicContact CZ-CG 3.71Å; F29-E31 WeakPolarHBondContact CZ-OE1 3.46Å; E31-T33 PolarHBondContact O-N 3.4Å; E31-A39 PolarHBondContact N-O 3.17Å; E31-A39 VanDerWaalsContact N-O 3.11Å; E31-A39 PolarHBondContact O-N 3.19Å; E31-R95 VanDerWaalsContact CD-CZ 3.47Å; E31-R95 WeakPolarHBondContact OE1-CD 3.44Å; E31-R95 WeakPolarHBondContact OE1-CG 3.43Å; E31-R95 IonicContact OE1-CZ 3.38Å; E31-R95 IonicContact OE1-NE 2.68Å; E31-R95 PolarHBondContact OE1-NE 3.12Å; E31-R95 IonicContact OE1-NH1 3.59Å; E31-R95 PolarHBondContact OE1-NH1 2.97Å; E31-R95 IonicContact OE1-NH2 2.78Å; E31-R95 PolarHBondContact OE1-NH2 3.43Å; E31-R95 IonicContact OE2-CZ 2.8Å; E31-R95 IonicContact OE2-NH1 3.3Å; E31-R95 PolarHBondContact OE2-NH1 3.25Å; E31-R95 IonicContact OE2-NH2 3.68Å
32D74.2Confident82.7Confident142 Ų14272 Ų7276%0.75941%0.408SS*.EExtended strand (participates in β ladder)trans-73.4111.4168.4-79.1-26.7000109.6L38D32-L38 WeakPolarHBondContact OD1-CD1 3.46Å
33T70.4Confident83.4Confident61 Ų6170.5 Ų70.537%0.37440%0.398SS..EExtended strand (participates in β ladder)trans-83.9118.9167.564.90000108.1E31 G35 K36 G37 A39E31-T33 PolarHBondContact O-N 3.4Å; T33-G35 PolarHBondContact O-N 3.35Å; T33-K36 PolarHBondContact O-N 3.47Å; T33-K36 VanDerWaalsContact O-N 3.17Å; T33-G37 PolarHBondContact N-O 3.02Å; T33-G37 PolarHBondContact OG1-O 2.96Å; T33-A39 HydrophobicContact CG2-CB 3.7Å
34S55.3Low83.9Confident128 Ų12868.4 Ų68.490%0.89538%0.38SS*.THydrogen-bonded Turntrans-51.198.4-177.454.30000111.4
35G57.3Low84.1Confident84 Ų8466.3 Ų66.387%0.86637%0.367SS*.THydrogen-bonded Turntrans90.50.3173.700000118.2T33T33-G35 PolarHBondContact O-N 3.35Å
36K56.5Low84.1Confident197 Ų19766.2 Ų66.286%0.85737%0.367SS*.THydrogen-bonded Turntrans-123.83.6-177.5-75-171178.6-177.80116.1T33T33-K36 PolarHBondContact O-N 3.47Å; T33-K36 VanDerWaalsContact O-N 3.17Å
37G64Low83.8Confident43 Ų4361.7 Ų61.744%0.44335%0.346SS..EExtended strand (participates in β ladder)trans105.4-172.4176.800000113.4T33T33-G37 PolarHBondContact N-O 3.02Å; T33-G37 PolarHBondContact OG1-O 2.96Å
38L80.9Confident83.3Confident93 Ų9364.2 Ų64.249%0.48736%0.355SS..EExtended strand (participates in β ladder)trans-86.3116-173.8-160.487.8000110.1V30 D32V30-L38 HydrophobicContact CG1-CD1 3.46Å; V30-L38 VanDerWaalsContact CG1-CD1 3.46Å; V30-L38 HydrophobicContact CG1-CD2 3.52Å; V30-L38 HydrophobicContact CG1-CG 3.45Å; V30-L38 VanDerWaalsContact CG1-CG 3.45Å; D32-L38 WeakPolarHBondContact OD1-CD1 3.46Å
39A86.4Confident82.2Confident39 Ų3962.1 Ų62.132%0.32235%0.351SS..EExtended strand (participates in β ladder)trans-88.4135.7175.100000110.2V30 E31 T33V30-A39 WeakPolarHBondContact CA-O 3.35Å; E31-A39 PolarHBondContact N-O 3.17Å; E31-A39 VanDerWaalsContact N-O 3.11Å; E31-A39 PolarHBondContact O-N 3.19Å; T33-A39 HydrophobicContact CG2-CB 3.7Å
40K91.1Very high80.7Confident123 Ų12364.9 Ų64.954%0.53538%0.381SS..EExtended strand (participates in β ladder)trans-117.5131.5176.9-58.4-167.2177.6-170.40110.4W28 F29 V30W28-K40 HydrophobicContact CE3-CB 4.01Å; F29-K40 CarbonylContact O-C 3.55Å; F29-K40 WeakPolarHBondContact O-CA 3.45Å; V30-K40 HydrophobicContact CG2-CG 4.32Å
41R93.7Very high78.9Confident104 Ų10474.7 Ų74.739%0.39243%0.426SS..EExtended strand (participates in β ladder)trans-124141.4175.3-58.6178.268.4-151.2-1.5109.4F29 D61 L64F29-R41 HydrophobicContact CB-CB 4.36Å; F29-R41 HydrophobicContact CD1-CB 4.49Å; F29-R41 PolarHBondContact N-O 3.47Å; F29-R41 PolarHBondContact O-N 2.71Å; R41-D61 IonicContact CZ-OD2 2.61Å; R41-D61 VanDerWaalsContact CZ-OD2 3.3Å; R41-D61 IonicContact NH1-OD2 2.75Å; R41-D61 PolarHBondContact NH1-OD2 2.88Å; R41-D61 VanDerWaalsContact NH1-OD2 3.13Å; R41-D61 IonicContact NH2-OD2 3.44Å; R41-D61 PolarHBondContact NH2-OD2 2.98Å; R41-L64 HydrophobicContact CB-CD1 3.91Å
42P95.3Very high77.9Confident62 Ų6274.6 Ų74.640%0.40344%0.439SS..EExtended strand (participates in β ladder)trans-70143.7176.331.3-35.1000110.3W28 L60W28-P42 HydrophobicContact CZ3-CB 4.35Å; P42-L60 HydrophobicContact CB-CD2 3.77Å; P42-L60 HydrophobicContact CG-CD2 4.18Å
43G94.8Very high77.7Confident0 Ų074.3 Ų74.30%043%0.433CS..EExtended strand (participates in β ladder)trans-152.3170.8173.100000110.5C27 L64C27-G43 PolarHBondContact N-O 3.4Å; C27-G43 CarbonylContact O-C 3.5Å; C27-G43 PolarHBondContact O-N 3.11Å; G43-L64 CarbonylContact C-O 3.53Å; G43-L64 VanDerWaalsContact CA-O 3.31Å; G43-L64 WeakPolarHBondContact CA-O 3.07Å
44A94.9Very high78Confident0 Ų072.3 Ų72.30%042%0.421CS..EExtended strand (participates in β ladder)trans-147.7148.1-178.900000112V24 I25 L60 L64 Y65 L66V24-A44 HydrophobicContact CG1-CB 3.99Å; I25-A44 CarbonylContact O-C 3.58Å; I25-A44 VanDerWaalsContact O-CA 3.3Å; I25-A44 WeakPolarHBondContact O-CA 3.36Å; A44-L60 HydrophobicContact CB-CD1 3.47Å; A44-L60 VanDerWaalsContact CB-CD1 3.47Å; A44-L64 PolarHBondContact N-O 3.25Å; A44-Y65 HydrophobicContact CB-CD2 4.02Å; A44-Y65 HydrophobicContact CB-CE2 4.44Å; A44-Y65 WeakPolarHBondContact O-CA 3.48Å; A44-L66 PolarHBondContact O-N 3.49Å
45L94.8Very high79.3Confident1 Ų169 Ų691%0.00540%0.396CS..EExtended strand (participates in β ladder)trans-111.8115.7175.6-58.3175.7000109.3V24 I25 L47 L66 V68 M93 V126 M128 L139V24-L45 CarbonylContact C-O 3.44Å; V24-L45 VanDerWaalsContact CA-O 3.3Å; V24-L45 WeakPolarHBondContact CA-O 3.48Å; I25-L45 HydrophobicContact CB-CB 4.4Å; I25-L45 PolarHBondContact N-O 2.91Å; I25-L45 PolarHBondContact O-N 3.19Å; L45-L47 HydrophobicContact CB-CD2 4.29Å; L45-L47 PolarHBondContact O-N 3.44Å; L45-L66 HydrophobicContact CD2-CB 3.77Å; L45-L66 HydrophobicContact CD2-CD1 3.69Å; L45-L66 HydrophobicContact CD2-CG 4.03Å; L45-V68 HydrophobicContact CB-CG2 4.01Å; L45-V68 HydrophobicContact CD2-CG2 4.09Å; L45-M93 HydrophobicContact CD2-SD 3.72Å; L45-M93 HydrophobicContact CG-SD 4.15Å; L45-V126 HydrophobicContact CD1-CG1 3.63Å; L45-V126 HydrophobicContact CD1-CG2 4.27Å; L45-M128 HydrophobicContact CD1-CE 3.29Å; L45-L139 HydrophobicContact CD2-CD2 4.4Å
46L92.8Very high80.6Confident3 Ų369.6 Ų69.62%0.01639%0.385CS..EExtended strand (participates in β ladder)trans-85.4106.7170.5179.766.2000108.5V24 R48 P54 Y65 L66 V68 I152V24-L46 HydrophobicContact CG2-CD1 3.71Å; L46-R48 WeakPolarHBondContact CD1-O 3.36Å; L46-P54 HydrophobicContact CD2-CB 3.91Å; L46-Y65 HydrophobicContact CB-CE2 4.05Å; L46-L66 PolarHBondContact N-O 2.89Å; L46-V68 WeakPolarHBondContact O-CB 3.3Å; L46-V68 PolarHBondContact O-N 3.23Å; L46-I152 HydrophobicContact CB-CD1 4.24Å; L46-I152 HydrophobicContact CD2-CD1 3.76Å
47L89.9Confident82.1Confident4 Ų463.6 Ų63.62%0.02136%0.357CS..  trans-90.8-30.6-178-60.1-173000113A23 I25 L45 V68 L75 F79A23-L47 PolarHBondContact O-N 2.66Å; I25-L47 HydrophobicContact CD1-CD1 3.46Å; I25-L47 VanDerWaalsContact CD1-CD1 3.46Å; I25-L47 HydrophobicContact CD1-CG 4.28Å; I25-L47 HydrophobicContact CG1-CD1 3.91Å; I25-L47 HydrophobicContact CG1-CG 4.38Å; L45-L47 HydrophobicContact CB-CD2 4.29Å; L45-L47 PolarHBondContact O-N 3.44Å; L47-V68 HydrophobicContact CD2-CB 4.04Å; L47-V68 HydrophobicContact CD2-CG1 4.22Å; L47-V68 HydrophobicContact CD2-CG2 3.96Å; L47-L75 HydrophobicContact CD2-CD2 4.14Å; L47-L75 HydrophobicContact CD2-CG 4.39Å; L47-F79 HydrophobicContact CD1-CB 3.67Å; L47-F79 HydrophobicContact CD1-CD2 3.37Å; L47-F79 HydrophobicContact CD1-CE2 4.21Å; L47-F79 HydrophobicContact CD1-CG 3.57Å
48R84.4Confident83.1Confident57 Ų5767.6 Ų67.622%0.21538%0.375CS..  trans-142.2127.5-178.1-70.2-178.8-68.71505.8109.5G21 P22 A23 L46G21-R48 VanDerWaalsContact C-NH2 3.26Å; G21-R48 PolarHBondContact O-NH2 3.38Å; P22-R48 PolarHBondContact O-NH2 3.27Å; A23-R48 PolarHBondContact O-N 3.48Å; L46-R48 WeakPolarHBondContact CD1-O 3.36Å
49Q72.6Confident83.5Confident95 Ų9567.6 Ų67.644%0.44438%0.375SS..  trans-98.1131.7170.7-168.4174.2-10.700108.5G52Q49-G52 WeakPolarHBondContact CG-O 3.43Å; Q49-G52 PolarHBondContact NE2-O 3.41Å
50G65.4Low83.7Confident63 Ų6366.3 Ų66.365%0.64936%0.363SS*.  trans-71.7-173.8170.800000111.7G52G50-G52 VanDerWaalsContact C-N 3.26Å; G50-G52 PolarHBondContact O-N 2.91Å
51Q54.8Low83.5Confident219 Ų21962.5 Ų62.5100%1.02335%0.349SS*.SBendtrans-70.787.9164.1-71-175.5-16.400108.3
52G65.4Low83.1Confident49 Ų4959.6 Ų59.651%0.50534%0.343SS..SBendtrans165.7171.7-177.100000112.2Q49 G50Q49-G52 WeakPolarHBondContact CG-O 3.43Å; Q49-G52 PolarHBondContact NE2-O 3.41Å; G50-G52 VanDerWaalsContact C-N 3.26Å; G50-G52 PolarHBondContact O-N 2.91Å
53E71.1Confident82.8Confident136 Ų13660.6 Ų60.664%0.63634%0.342SS*.PPolyproline II helixtrans-67.5155.3175.3-71.7172.6-176.100111.7P149E53-P149 HydrophobicContact CG-CG 4Å; E53-P149 VanDerWaalsContact OE1-CG 3.32Å; E53-P149 WeakPolarHBondContact OE1-CG 3.49Å; E53-P149 VanDerWaalsContact OE2-CG 3.29Å; E53-P149 WeakPolarHBondContact OE2-CG 3.44Å
54P76.6Confident82.6Confident18 Ų1860.8 Ų60.812%0.11734%0.343CS..PPolyproline II helixtrans-56.1139.9173.5-20.733000110.2L46 V150 I152L46-P54 HydrophobicContact CD2-CB 3.91Å; P54-V150 HydrophobicContact CB-CB 4.49Å; P54-V150 HydrophobicContact CB-CG1 4.4Å; P54-V150 WeakPolarHBondContact O-CG2 3.5Å; P54-I152 HydrophobicContact CB-CD1 4.23Å
55P82.8Confident82.5Confident59 Ų5960.9 Ų60.938%0.38334%0.344SS..PPolyproline II helixtrans-63.6130.3178.322.9-28.9000109.8Y65P55-Y65 WeakPolarHBondContact CD-OH 3.32Å; P55-Y65 WeakPolarHBondContact CG-OH 3.34Å; P55-Y65 WeakPolarHBondContact O-CE1 3.19Å; P55-Y65 PolarHBondContact O-OH 3.46Å
56P83.7Confident82.4Confident97 Ų9760.9 Ų60.963%0.6334%0.344SS*.PPolyproline II helixtrans-69.9135179.127.5-33.5000110.7
57R88.2Confident82.4Confident71 Ų7162 Ų6227%0.26835%0.349SS..  trans-128.474.9179.9-60.9-70.3-85.9128.7-2.1110.1E26 D59 L60 Y65E26-R57 VanDerWaalsContact CD-NH2 3.35Å; E26-R57 IonicContact OE1-CZ 3.22Å; E26-R57 IonicContact OE1-NE 2.63Å; E26-R57 IonicContact OE1-NH2 3.5Å; E26-R57 PolarHBondContact OE1-NH2 3.39Å; E26-R57 IonicContact OE2-NH2 3.46Å; E26-R57 PolarHBondContact OE2-NH2 2.89Å; R57-D59 WeakPolarHBondContact CA-OD1 3.49Å; R57-D59 IonicContact CZ-OD1 2.81Å; R57-D59 IonicContact CZ-OD2 3.97Å; R57-D59 VanDerWaalsContact CZ-OD2 3.3Å; R57-D59 IonicContact NH1-OD1 3.41Å; R57-D59 PolarHBondContact NH1-OD1 2.86Å; R57-D59 IonicContact NH1-OD2 3.05Å; R57-D59 PolarHBondContact NH1-OD2 3.34Å; R57-D59 IonicContact NH2-OD2 3.67Å; R57-D59 PolarHBondContact NH2-OD2 3.39Å; R57-D59 PolarHBondContact O-N 2.84Å; R57-L60 HydrophobicContact CB-CB 4.25Å; R57-L60 HydrophobicContact CB-CD1 3.78Å; R57-L60 HydrophobicContact CB-CG 4.01Å; R57-L60 HydrophobicContact CG-CD1 4.12Å; R57-L60 PolarHBondContact O-N 3.18Å; R57-L60 VanDerWaalsContact O-N 3.16Å; R57-Y65 HydrophobicContact CB-CD1 4.12Å; R57-Y65 HydrophobicContact CB-CE1 4.1Å; R57-Y65 HydrophobicContact CG-CD1 4.28Å; R57-Y65 HydrophobicContact CG-CE1 3.85Å; R57-Y65 HydrophobicContact CG-CE2 4.33Å
58P85.4Confident82.6Confident127 Ų12762 Ų6283%0.82535%0.35SS*.THydrogen-bonded Turntrans-68.2-13.3-178.830.4-36.2000113.1L60P58-L60 VanDerWaalsContact C-N 3.3Å
59D89.4Confident83Confident92 Ų9264 Ų6449%0.49236%0.362SS..THydrogen-bonded Turntrans-77-14.6174.559.2-55.9000113.6R57R57-D59 WeakPolarHBondContact CA-OD1 3.49Å; R57-D59 IonicContact CZ-OD1 2.81Å; R57-D59 IonicContact CZ-OD2 3.97Å; R57-D59 VanDerWaalsContact CZ-OD2 3.3Å; R57-D59 IonicContact NH1-OD1 3.41Å; R57-D59 PolarHBondContact NH1-OD1 2.86Å; R57-D59 IonicContact NH1-OD2 3.05Å; R57-D59 PolarHBondContact NH1-OD2 3.34Å; R57-D59 IonicContact NH2-OD2 3.67Å; R57-D59 PolarHBondContact NH2-OD2 3.39Å; R57-D59 PolarHBondContact O-N 2.84Å
60L89.9Confident84Confident13 Ų1360 Ų607%0.06834%0.343CS..SBendtrans-104.5151.9-178.5-60.6-179.7000111.5P42 A44 R57 P58 P62 Y65P42-L60 HydrophobicContact CB-CD2 3.77Å; P42-L60 HydrophobicContact CG-CD2 4.18Å; A44-L60 HydrophobicContact CB-CD1 3.47Å; A44-L60 VanDerWaalsContact CB-CD1 3.47Å; R57-L60 HydrophobicContact CB-CB 4.25Å; R57-L60 HydrophobicContact CB-CD1 3.78Å; R57-L60 HydrophobicContact CB-CG 4.01Å; R57-L60 HydrophobicContact CG-CD1 4.12Å; R57-L60 PolarHBondContact O-N 3.18Å; R57-L60 VanDerWaalsContact O-N 3.16Å; P58-L60 VanDerWaalsContact C-N 3.3Å; L60-P62 WeakPolarHBondContact O-CD 3.35Å; L60-Y65 HydrophobicContact CD1-CD2 4.5Å; L60-Y65 HydrophobicContact CD1-CG 4.45Å
61D88.1Confident85.3Confident43 Ų4359.2 Ų59.223%0.2333%0.326CS..  trans-66.1124.3163.1-176.7-14.2000108.5R41 E63 L64 Y65R41-D61 IonicContact CZ-OD2 2.61Å; R41-D61 VanDerWaalsContact CZ-OD2 3.3Å; R41-D61 IonicContact NH1-OD2 2.75Å; R41-D61 PolarHBondContact NH1-OD2 2.88Å; R41-D61 VanDerWaalsContact NH1-OD2 3.13Å; R41-D61 IonicContact NH2-OD2 3.44Å; R41-D61 PolarHBondContact NH2-OD2 2.98Å; D61-E63 PolarHBondContact O-N 3.24Å; D61-E63 VanDerWaalsContact O-N 3.09Å; D61-E63 WeakPolarHBondContact OD1-CB 3.41Å; D61-E63 PolarHBondContact OD1-N 3.46Å; D61-L64 HydrophobicContact CB-CB 4.22Å; D61-L64 HydrophobicContact CB-CD1 4.12Å; D61-L64 HydrophobicContact CB-CG 4.09Å; D61-L64 CarbonylContact O-C 3.54Å; D61-L64 WeakPolarHBondContact O-CA 3.46Å; D61-L64 PolarHBondContact O-N 3.14Å; D61-Y65 PolarHBondContact O-N 3.45Å
62P85.9Confident87.1Confident42 Ų4250 Ų5027%0.27329%0.288SS..THydrogen-bonded Turntrans-53.7-27.3176.1-28.836.7000114.5L60 L64 L151 T153L60-P62 WeakPolarHBondContact O-CD 3.35Å; P62-L64 PolarHBondContact O-N 3.37Å; P62-L151 HydrophobicContact CB-CB 3.92Å; P62-L151 HydrophobicContact CG-CB 3.91Å; P62-L151 HydrophobicContact CG-CD1 4.28Å; P62-T153 PolarHBondContact O-OG1 2.83Å
63E87.4Confident88.4Confident84 Ų8449 Ų4939%0.39328%0.278SS..THydrogen-bonded Turntrans-72.5-17.5175-73-162.1-159.500113.8D61 L66 R141D61-E63 PolarHBondContact O-N 3.24Å; D61-E63 VanDerWaalsContact O-N 3.09Å; D61-E63 WeakPolarHBondContact OD1-CB 3.41Å; D61-E63 PolarHBondContact OD1-N 3.46Å; E63-L66 WeakPolarHBondContact O-CD2 3.38Å; E63-R141 IonicContact OE2-CZ 3.75Å; E63-R141 VanDerWaalsContact OE2-CZ 3.31Å; E63-R141 IonicContact OE2-NH1 3.2Å; E63-R141 PolarHBondContact OE2-NH1 2.92Å; E63-R141 IonicContact OE2-NH2 3.78Å; E63-R141 PolarHBondContact OE2-NH2 3.48Å
64L91.1Very high89.3Confident4 Ų444.3 Ų44.32%0.02126%0.255CS..THydrogen-bonded Turntrans-112.2-0.8-179.8-58.5-179.5000112.6F29 R41 G43 A44 D61 P62F29-L64 HydrophobicContact CB-CD1 3.87Å; F29-L64 HydrophobicContact CB-CD2 4Å; F29-L64 HydrophobicContact CD1-CD1 4.03Å; F29-L64 HydrophobicContact CD1-CD2 3.95Å; F29-L64 HydrophobicContact CD2-CD2 3.85Å; F29-L64 HydrophobicContact CE1-CD2 4.32Å; F29-L64 HydrophobicContact CE2-CD2 4.27Å; F29-L64 HydrophobicContact CG-CD1 4.1Å; F29-L64 HydrophobicContact CG-CD2 3.66Å; F29-L64 HydrophobicContact CZ-CD2 4.46Å; R41-L64 HydrophobicContact CB-CD1 3.91Å; G43-L64 CarbonylContact C-O 3.53Å; G43-L64 VanDerWaalsContact CA-O 3.31Å; G43-L64 WeakPolarHBondContact CA-O 3.07Å; A44-L64 PolarHBondContact N-O 3.25Å; D61-L64 HydrophobicContact CB-CB 4.22Å; D61-L64 HydrophobicContact CB-CD1 4.12Å; D61-L64 HydrophobicContact CB-CG 4.09Å; D61-L64 CarbonylContact O-C 3.54Å; D61-L64 WeakPolarHBondContact O-CA 3.46Å; D61-L64 PolarHBondContact O-N 3.14Å; P62-L64 PolarHBondContact O-N 3.37Å
65Y92.9Very high90.1Very high2 Ų243.5 Ų43.51%0.00825%0.25CS..EExtended strand (participates in β ladder)trans-96.5103.2165.4-175.7-154.8000108.9A44 L46 P55 R57 L60 D61 V150 I152 T153A44-Y65 HydrophobicContact CB-CD2 4.02Å; A44-Y65 HydrophobicContact CB-CE2 4.44Å; A44-Y65 WeakPolarHBondContact O-CA 3.48Å; L46-Y65 HydrophobicContact CB-CE2 4.05Å; P55-Y65 WeakPolarHBondContact CD-OH 3.32Å; P55-Y65 WeakPolarHBondContact CG-OH 3.34Å; P55-Y65 WeakPolarHBondContact O-CE1 3.19Å; P55-Y65 PolarHBondContact O-OH 3.46Å; R57-Y65 HydrophobicContact CB-CD1 4.12Å; R57-Y65 HydrophobicContact CB-CE1 4.1Å; R57-Y65 HydrophobicContact CG-CD1 4.28Å; R57-Y65 HydrophobicContact CG-CE1 3.85Å; R57-Y65 HydrophobicContact CG-CE2 4.33Å; L60-Y65 HydrophobicContact CD1-CD2 4.5Å; L60-Y65 HydrophobicContact CD1-CG 4.45Å; D61-Y65 PolarHBondContact O-N 3.45Å; Y65-V150 HydrophobicContact CE1-CG1 4.35Å; Y65-I152 HydrophobicContact CD1-CB 4.04Å; Y65-I152 HydrophobicContact CD1-CD1 3.91Å; Y65-I152 HydrophobicContact CD1-CG1 3.75Å; Y65-I152 HydrophobicContact CD2-CD1 4.03Å; Y65-I152 HydrophobicContact CD2-CG1 4.23Å; Y65-I152 HydrophobicContact CE1-CB 4.25Å; Y65-I152 HydrophobicContact CE1-CD1 3.62Å; Y65-I152 HydrophobicContact CE1-CG1 3.97Å; Y65-I152 HydrophobicContact CE2-CD1 3.73Å; Y65-I152 HydrophobicContact CE2-CG1 4.41Å; Y65-I152 HydrophobicContact CG-CD1 4.12Å; Y65-I152 HydrophobicContact CG-CG1 3.9Å; Y65-I152 VanDerWaalsContact O-CG1 3.27Å; Y65-I152 WeakPolarHBondContact O-CG1 3.15Å; Y65-T153 PolarHBondContact O-N 3.42Å
66L92.9Very high90.5Very high0 Ų042.6 Ų42.60%024%0.241CC..EExtended strand (participates in β ladder)trans-106.7125.3-170.3-51-177.9000111.8A44 L45 L46 E63 M93 L124 L139 T153 A155A44-L66 PolarHBondContact O-N 3.49Å; L45-L66 HydrophobicContact CD2-CB 3.77Å; L45-L66 HydrophobicContact CD2-CD1 3.69Å; L45-L66 HydrophobicContact CD2-CG 4.03Å; L46-L66 PolarHBondContact N-O 2.89Å; E63-L66 WeakPolarHBondContact O-CD2 3.38Å; L66-M93 HydrophobicContact CD1-SD 4.37Å; L66-L124 HydrophobicContact CD1-CD1 3.59Å; L66-L139 HydrophobicContact CD1-CD2 4.29Å; L66-T153 CarbonylContact C-O 3.54Å; L66-T153 VanDerWaalsContact CA-O 3.25Å; L66-T153 WeakPolarHBondContact CA-O 2.96Å; L66-T153 HydrophobicContact CD2-CG2 4.27Å; L66-A155 HydrophobicContact CB-CB 4.14Å; L66-A155 HydrophobicContact CD1-CB 4.15Å; L66-A155 HydrophobicContact CD2-CB 4.5Å
67N92.3Very high91Very high26 Ų2639.7 Ų39.714%0.13923%0.225CC..EExtended strand (participates in β ladder)trans-83.9112.3164.9-169.30.6000109.2H69 I152 T153 M154 A155N67-H69 PolarHBondContact O-N 3.44Å; N67-I152 HydrophobicContact CB-CD1 3.67Å; N67-I152 HydrophobicContact CB-CG1 3.99Å; N67-T153 PolarHBondContact N-O 3.37Å; N67-M154 HydrophobicContact CB-CE 4.31Å; N67-M154 HydrophobicContact CB-SD 3.52Å; N67-M154 VanDerWaalsContact CB-SD 3.52Å; N67-M154 PolarHBondContact ND2-SD 3.33Å; N67-M154 VanDerWaalsContact ND2-SD 3.36Å; N67-A155 PolarHBondContact O-N 2.89Å
68V93.8Very high91.2Very high5 Ų536.5 Ų36.53%0.0321%0.214CC..EExtended strand (participates in β ladder)trans-89.7108.4-168.5-177.20000110.7L45 L46 L47 L75 L139 V157L45-V68 HydrophobicContact CB-CG2 4.01Å; L45-V68 HydrophobicContact CD2-CG2 4.09Å; L46-V68 WeakPolarHBondContact O-CB 3.3Å; L46-V68 PolarHBondContact O-N 3.23Å; L47-V68 HydrophobicContact CD2-CB 4.04Å; L47-V68 HydrophobicContact CD2-CG1 4.22Å; L47-V68 HydrophobicContact CD2-CG2 3.96Å; V68-L75 HydrophobicContact CG1-CD2 3.77Å; V68-L139 HydrophobicContact CG2-CD2 4.31Å; V68-V157 HydrophobicContact CG1-CG2 3.51Å
69H93Very high91.5Very high99 Ų9930.5 Ų30.546%0.45818%0.175SC..EExtended strand (participates in β ladder)trans-88116.7166.6-176.7-119.2000109.3N67 P71 M154 A155 T156 V157N67-H69 PolarHBondContact O-N 3.44Å; H69-P71 WeakPolarHBondContact O-CD 3.34Å; H69-M154 HydrophobicContact CB-CE 4.12Å; H69-A155 PolarHBondContact N-O 3.42Å; H69-T156 CarbonylContact O-C 3.24Å; H69-T156 WeakPolarHBondContact O-CA 3.42Å; H69-V157 PolarHBondContact O-N 2.91Å
70D94.1Very high91.5Very high11 Ų1132.3 Ų32.36%0.05918%0.175CC..  trans-11988.9-177.217616.3000110A72 G73 F74 L75 Q76 V157D70-A72 VanDerWaalsContact C-N 3.3Å; D70-A72 PolarHBondContact O-N 3.48Å; D70-G73 PolarHBondContact O-N 2.93Å; D70-G73 PolarHBondContact OD1-N 2.93Å; D70-G73 VanDerWaalsContact OD2-CA 3.24Å; D70-G73 WeakPolarHBondContact OD2-CA 3.44Å; D70-F74 PolarHBondContact OD2-N 3.42Å; D70-L75 WeakPolarHBondContact OD2-CA 3.47Å; D70-L75 WeakPolarHBondContact OD2-CB 3.33Å; D70-L75 PolarHBondContact OD2-N 2.84Å; D70-Q76 HydrophobicContact CB-CG 3.91Å; D70-Q76 PolarHBondContact OD2-N 3.17Å; D70-V157 HydrophobicContact CB-CB 4.39Å; D70-V157 HydrophobicContact CB-CG2 4.02Å
71P92.9Very high91.5Very high46 Ų4640.9 Ų40.930%0.29921%0.206SC..THydrogen-bonded Turntrans-61.3-37.2-176.4-24.134000113.4H69 G73 T156 M185H69-P71 WeakPolarHBondContact O-CD 3.34Å; P71-G73 PolarHBondContact O-N 2.89Å; P71-T156 HydrophobicContact CG-CG2 3.94Å; P71-M185 HydrophobicContact CB-CB 4.44Å; P71-M185 HydrophobicContact CB-CG 4.03Å; P71-M185 HydrophobicContact CB-SD 3.83Å; P71-M185 HydrophobicContact CG-CB 4.49Å; P71-M185 HydrophobicContact CG-CG 4.03Å; P71-M185 HydrophobicContact CG-SD 4.41Å
72A91.9Very high91.6Very high27 Ų2739 Ų3922%0.22320%0.196CC..THydrogen-bonded Turntrans-76.6-13.9178.100000112.5D70 F74 A183 P249D70-A72 VanDerWaalsContact C-N 3.3Å; D70-A72 PolarHBondContact O-N 3.48Å; A72-F74 PolarHBondContact O-N 3.39Å; A72-F74 VanDerWaalsContact O-N 3.1Å; A72-A183 HydrophobicContact CB-CB 3.75Å; A72-P249 HydrophobicContact CB-CB 3.83Å; A72-P249 HydrophobicContact CB-CG 4.23Å
73G92.1Very high91.8Very high28 Ų2839.7 Ų39.729%0.28920%0.2SC..  trans67.75.1179.900000114.6D70 P71 A77D70-G73 PolarHBondContact O-N 2.93Å; D70-G73 PolarHBondContact OD1-N 2.93Å; D70-G73 VanDerWaalsContact OD2-CA 3.24Å; D70-G73 WeakPolarHBondContact OD2-CA 3.44Å; P71-G73 PolarHBondContact O-N 2.89Å; G73-A77 WeakPolarHBondContact O-CB 3.49Å; G73-A77 PolarHBondContact O-N 3.36Å
74F91Very high91.7Very high36 Ų3643.7 Ų43.716%0.15821%0.212CC..Hα-helixtrans-74.3-44.9-169.1-152.5-107000112.6D70 A72 A77 A78 T160 L162 S181 A183 T251D70-F74 PolarHBondContact OD2-N 3.42Å; A72-F74 PolarHBondContact O-N 3.39Å; A72-F74 VanDerWaalsContact O-N 3.1Å; F74-A77 PolarHBondContact O-N 3.45Å; F74-A78 PolarHBondContact O-N 2.95Å; F74-A78 VanDerWaalsContact O-N 3.09Å; F74-T160 HydrophobicContact CD1-CG2 3.8Å; F74-L162 HydrophobicContact CD1-CB 4.34Å; F74-L162 HydrophobicContact CD1-CD2 4.2Å; F74-L162 HydrophobicContact CE1-CB 3.68Å; F74-L162 HydrophobicContact CE1-CD2 3.64Å; F74-L162 HydrophobicContact CE1-CG 4.3Å; F74-L162 HydrophobicContact CZ-CD2 4.17Å; F74-S181 VanDerWaalsContact CZ-OG 3.25Å; F74-S181 WeakPolarHBondContact CZ-OG 3.32Å; F74-A183 HydrophobicContact CB-CB 3.54Å; F74-A183 HydrophobicContact CD1-CB 4.12Å; F74-A183 HydrophobicContact CD2-CB 4.07Å; F74-A183 HydrophobicContact CG-CB 3.66Å; F74-T251 HydrophobicContact CD2-CG2 4.15Å; F74-T251 HydrophobicContact CE2-CG2 4.49Å
75L93.2Very high91.4Very high2 Ų251.5 Ų51.51%0.0125%0.253CS..Hα-helixtrans-64.7-45.3174.8174.867.2000110.4L47 V68 D70 A78 F79 M128 L135 V157L47-L75 HydrophobicContact CD2-CD2 4.14Å; L47-L75 HydrophobicContact CD2-CG 4.39Å; V68-L75 HydrophobicContact CG1-CD2 3.77Å; D70-L75 WeakPolarHBondContact OD2-CA 3.47Å; D70-L75 WeakPolarHBondContact OD2-CB 3.33Å; D70-L75 PolarHBondContact OD2-N 2.84Å; L75-A78 PolarHBondContact O-N 3.44Å; L75-F79 HydrophobicContact CD1-CD2 4.01Å; L75-F79 HydrophobicContact CD1-CE2 3.69Å; L75-F79 WeakPolarHBondContact O-CD2 3.39Å; L75-F79 PolarHBondContact O-N 2.97Å; L75-M128 HydrophobicContact CD1-CE 4.47Å; L75-L135 HydrophobicContact CD1-CD1 3.58Å; L75-L135 HydrophobicContact CD1-CD2 3.64Å; L75-L135 HydrophobicContact CD1-CG 4.28Å; L75-V157 HydrophobicContact CD2-CG2 3.79Å
76Q92.3Very high91.2Very high39 Ų3952.6 Ų52.618%0.18226%0.263CS..Hα-helixtrans-64.8-40.7177.7-70.8-173.826.900112.1D70 A78 F79 R80D70-Q76 HydrophobicContact CB-CG 3.91Å; D70-Q76 PolarHBondContact OD2-N 3.17Å; Q76-A78 VanDerWaalsContact C-N 3.35Å; Q76-A78 PolarHBondContact O-N 2.88Å; Q76-F79 PolarHBondContact O-N 3.26Å; Q76-R80 VanDerWaalsContact O-CG 3.31Å; Q76-R80 WeakPolarHBondContact O-CG 3.32Å; Q76-R80 PolarHBondContact O-N 3.06Å
77A92.6Very high91.1Very high36 Ų3656.9 Ų56.930%0.29829%0.291SS..Hα-helixtrans-62.7-41.2178.400000111.9G73 F74 F79 R80 R81G73-A77 WeakPolarHBondContact O-CB 3.49Å; G73-A77 PolarHBondContact O-N 3.36Å; F74-A77 PolarHBondContact O-N 3.45Å; A77-F79 VanDerWaalsContact C-N 3.33Å; A77-F79 PolarHBondContact O-N 2.95Å; A77-R80 PolarHBondContact O-N 2.96Å; A77-R81 PolarHBondContact O-N 3.46Å
78A92.6Very high91.1Very high4 Ų459.7 Ų59.73%0.03332%0.318CS..Hα-helixtrans-56.3-46.617600000111.6F74 L75 Q76 R81 Y82 L133 L162F74-A78 PolarHBondContact O-N 2.95Å; F74-A78 VanDerWaalsContact O-N 3.09Å; L75-A78 PolarHBondContact O-N 3.44Å; Q76-A78 VanDerWaalsContact C-N 3.35Å; Q76-A78 PolarHBondContact O-N 2.88Å; A78-R81 PolarHBondContact O-N 2.87Å; A78-Y82 PolarHBondContact O-N 3.48Å; A78-L133 HydrophobicContact CB-CD2 4.15Å; A78-L162 HydrophobicContact CB-CD1 4.34Å; A78-L162 HydrophobicContact CB-CD2 3.83Å
79F91.8Very high91.1Very high1 Ų159.9 Ų59.90%0.00432%0.319CS..Hα-helixtrans-81.3-20.5-179.7-72.6-67.3000115G21 P22 I25 L47 L75 Q76 A77 Y82 P89 M128 L133G21-F79 WeakPolarHBondContact CA-O 3.22Å; G21-F79 PolarHBondContact N-O 2.99Å; P22-F79 HydrophobicContact CG-CD1 3.82Å; I25-F79 HydrophobicContact CD1-CD1 3.8Å; I25-F79 HydrophobicContact CD1-CD2 3.82Å; I25-F79 HydrophobicContact CD1-CE1 3.6Å; I25-F79 HydrophobicContact CD1-CE2 3.58Å; I25-F79 HydrophobicContact CD1-CG 3.93Å; I25-F79 HydrophobicContact CD1-CZ 3.49Å; I25-F79 VanDerWaalsContact CD1-CZ 3.49Å; L47-F79 HydrophobicContact CD1-CB 3.67Å; L47-F79 HydrophobicContact CD1-CD2 3.37Å; L47-F79 HydrophobicContact CD1-CE2 4.21Å; L47-F79 HydrophobicContact CD1-CG 3.57Å; L75-F79 HydrophobicContact CD1-CD2 4.01Å; L75-F79 HydrophobicContact CD1-CE2 3.69Å; L75-F79 WeakPolarHBondContact O-CD2 3.39Å; L75-F79 PolarHBondContact O-N 2.97Å; Q76-F79 PolarHBondContact O-N 3.26Å; A77-F79 VanDerWaalsContact C-N 3.33Å; A77-F79 PolarHBondContact O-N 2.95Å; F79-Y82 HydrophobicContact CD1-CD2 4.19Å; F79-Y82 HydrophobicContact CD1-CG 4.37Å; F79-Y82 HydrophobicContact CE1-CD2 4.2Å; F79-Y82 HydrophobicContact CE1-CE2 4.47Å; F79-Y82 WeakPolarHBondContact O-CB 3.37Å; F79-Y82 PolarHBondContact O-N 3.33Å; F79-P89 HydrophobicContact CE1-CG 3.87Å; F79-P89 HydrophobicContact CZ-CG 4.36Å; F79-M128 HydrophobicContact CE1-SD 4.36Å; F79-M128 HydrophobicContact CE2-CE 4.3Å; F79-M128 HydrophobicContact CE2-SD 3.42Å; F79-M128 WeakPolarHBondContact CE2-SD 3.49Å; F79-M128 HydrophobicContact CZ-SD 3.24Å; F79-M128 WeakPolarHBondContact CZ-SD 3.43Å; F79-L133 HydrophobicContact CE1-CD1 4.39Å; F79-L133 HydrophobicContact CE1-CD2 4.44Å; F79-L133 HydrophobicContact CZ-CD1 4.09Å
80R90.1Very high91.2Very high130 Ų13062.1 Ų62.149%0.49133%0.329SS..Hα-helixtrans-64.4-43.6165.2-74.9178.1-170-166.95.4110.3S19 Q76 A77 Y82S19-R80 CarbonylContact C-O 3.58Å; S19-R80 VanDerWaalsContact C-O 3.24Å; S19-R80 WeakPolarHBondContact CB-O 3.43Å; Q76-R80 VanDerWaalsContact O-CG 3.31Å; Q76-R80 WeakPolarHBondContact O-CG 3.32Å; Q76-R80 PolarHBondContact O-N 3.06Å; A77-R80 PolarHBondContact O-N 2.96Å; R80-Y82 PolarHBondContact O-N 3.3Å
81R89.1Confident91.4Very high193 Ų19361.9 Ų61.973%0.72833%0.329SS*.SBendtrans-77.2-5.4179.3-65.5178.7-176.5175.32.4114.2A77 A78A77-R81 PolarHBondContact O-N 3.46Å; A78-R81 PolarHBondContact O-N 2.87Å
82Y90.2Very high91.5Very high3 Ų363.8 Ų63.81%0.01233%0.334CS..SBendtrans-62.2132.9179.7-156.6-98.4000111.3S19 A78 F79 R80 A86 P87 S130 V132 L133S19-Y82 PolarHBondContact OG-O 2.86Å; A78-Y82 PolarHBondContact O-N 3.48Å; F79-Y82 HydrophobicContact CD1-CD2 4.19Å; F79-Y82 HydrophobicContact CD1-CG 4.37Å; F79-Y82 HydrophobicContact CE1-CD2 4.2Å; F79-Y82 HydrophobicContact CE1-CE2 4.47Å; F79-Y82 WeakPolarHBondContact O-CB 3.37Å; F79-Y82 PolarHBondContact O-N 3.33Å; R80-Y82 PolarHBondContact O-N 3.3Å; Y82-A86 HydrophobicContact CD1-CB 4.18Å; Y82-A86 HydrophobicContact CE1-CB 3.53Å; Y82-P87 WeakPolarHBondContact CE1-O 3.41Å; Y82-P87 PolarHBondContact OH-O 3.3Å; Y82-S130 WeakPolarHBondContact CE2-OG 3.44Å; Y82-S130 VanDerWaalsContact OH-CB 3.28Å; Y82-S130 WeakPolarHBondContact OH-CB 3.43Å; Y82-S130 PolarHBondContact OH-OG 3Å; Y82-V132 HydrophobicContact CD2-CB 4.27Å; Y82-V132 HydrophobicContact CD2-CG1 4.04Å; Y82-V132 HydrophobicContact CE2-CB 3.74Å; Y82-V132 HydrophobicContact CE2-CG1 4.03Å; Y82-V132 HydrophobicContact CE2-CG2 4.11Å; Y82-L133 HydrophobicContact CD2-CD2 3.89Å; Y82-L133 HydrophobicContact CD2-CG 4.34Å; Y82-L133 HydrophobicContact CE2-CD2 4.28Å; Y82-L133 HydrophobicContact CE2-CG 4.22Å
83P90.8Very high91.7Very high57 Ų5762.6 Ų62.637%0.3732%0.323SS..  trans-62.7139178.9-20.130.6000112D85 A86 V132P83-D85 VanDerWaalsContact C-N 3.33Å; P83-D85 PolarHBondContact O-N 2.83Å; P83-A86 HydrophobicContact CB-CB 3.92Å; P83-A86 HydrophobicContact CG-CB 4.24Å; P83-A86 PolarHBondContact O-N 3.47Å; P83-V132 HydrophobicContact CG-CG1 4.24Å; P83-V132 HydrophobicContact CG-CG2 4.16Å
84R84.5Confident91.9Very high169 Ų16962.2 Ų62.264%0.63832%0.316SS*.THydrogen-bonded Turntrans-65.4-34.3-178.8-68.5-174.9-175.9-1740.5113.5V18 A86V18-R84 PolarHBondContact O-NH2 3.26Å; R84-A86 VanDerWaalsContact C-N 3.33Å
85D86.1Confident92Very high167 Ų16768 Ų6889%0.89334%0.337SS*.THydrogen-bonded Turntrans-88.9-1.4-178.2-53.7-43.4000112.9P83P83-D85 VanDerWaalsContact C-N 3.33Å; P83-D85 PolarHBondContact O-N 2.83Å
86A88.5Confident92.1Very high25 Ų2569.4 Ų69.421%0.20734%0.343CS..SBendtrans-76.2144.4177.900000110.7Y82 P83 R84 V132Y82-A86 HydrophobicContact CD1-CB 4.18Å; Y82-A86 HydrophobicContact CE1-CB 3.53Å; P83-A86 HydrophobicContact CB-CB 3.92Å; P83-A86 HydrophobicContact CG-CB 4.24Å; P83-A86 PolarHBondContact O-N 3.47Å; R84-A86 VanDerWaalsContact C-N 3.33Å; A86-V132 HydrophobicContact CB-CG2 4Å
87P91.2Very high92.2Very high90 Ų9072.1 Ų72.158%0.58436%0.362SS*.PPolyproline II helixtrans-60.8153.4174.825.7-33000110.9Y82Y82-P87 WeakPolarHBondContact CE1-O 3.41Å; Y82-P87 PolarHBondContact OH-O 3.3Å
88A90.7Very high92.3Very high85 Ų8571.7 Ų71.770%0.70236%0.357SS*.PPolyproline II helixtrans-56.9137.4174.900000110.2
89P94.4Very high92.4Very high10 Ų1076.9 Ų76.97%0.06538%0.383CS..PPolyproline II helixtrans-65.2147.9177.631.3-38000110.4I25 F79 C91I25-P89 HydrophobicContact CD1-CG 4.35Å; I25-P89 HydrophobicContact CG2-CG 4.25Å; F79-P89 HydrophobicContact CE1-CG 3.87Å; F79-P89 HydrophobicContact CZ-CG 4.36Å; P89-C91 PolarHBondContact O-N 2.97Å
90H95.8Very high92.5Very high145 Ų14579.8 Ų79.867%0.67140%0.402SS*.EExtended strand (participates in β ladder)trans-69.9129.7166-62.5-63.1000108.3M128 S129H90-M128 CarbonylContact O-C 3.59Å; H90-M128 WeakPolarHBondContact O-CA 3.23Å; H90-S129 PolarHBondContact N-O 3.13Å; H90-S129 PolarHBondContact O-N 3.41Å
91C96.6Very high92.6Very high7 Ų774.7 Ų74.75%0.04739%0.388CS..EExtended strand (participates in β ladder)trans-127.4130.7179.2178.30000111.1I25 E26 C27 W28 P89 S127 M128I25-C91 HydrophobicContact CG2-CB 3.72Å; E26-C91 WeakPolarHBondContact O-CB 3.39Å; C27-C91 WeakPolarHBondContact CA-O 3.11Å; C27-C91 HydrophobicContact CB-CB 3.75Å; C27-C91 WeakPolarHBondContact CB-SG 3.38Å; C27-C91 WeakPolarHBondContact SG-CB 3.48Å; C27-C91 CovalentContact SG-SG 2.03Å; C27-C91 PolarHBondContact SG-SG 3.09Å; W28-C91 PolarHBondContact N-O 2.87Å; P89-C91 PolarHBondContact O-N 2.97Å; C91-S127 WeakPolarHBondContact CA-O 3.42Å; C91-M128 HydrophobicContact CB-CG 4.18Å
92E96.5Very high92.8Very high86 Ų8671.2 Ų71.240%0.40239%0.393SS..EExtended strand (participates in β ladder)trans-125136.5175.2-169.9171.8107.200109.8W28 V30 V126 S127W28-E92 CarbonylContact O-C 3.55Å; W28-E92 WeakPolarHBondContact O-CA 3.49Å; V30-E92 HydrophobicContact CB-CG 4.19Å; V30-E92 HydrophobicContact CG2-CG 3.55Å; E92-V126 CarbonylContact O-C 3.6Å; E92-V126 WeakPolarHBondContact O-CA 3.29Å; E92-S127 PolarHBondContact N-O 3.48Å; E92-S127 PolarHBondContact O-N 3.12Å
93M95.9Very high92.8Very high1 Ų172.1 Ų72.11%0.00540%0.401CS..EExtended strand (participates in β ladder)trans-119.6139.3175.8-59.3-173-64.500109.2C27 W28 F29 V30 L45 L66 M125 V126C27-M93 HydrophobicContact CB-CE 3.65Å; C27-M93 HydrophobicContact CB-CG 3.82Å; C27-M93 HydrophobicContact CB-SD 3.89Å; W28-M93 PolarHBondContact O-N 3.21Å; F29-M93 CarbonylContact C-O 3.58Å; F29-M93 VanDerWaalsContact CA-O 3.29Å; F29-M93 WeakPolarHBondContact CA-O 3.38Å; F29-M93 HydrophobicContact CB-CB 4.47Å; F29-M93 HydrophobicContact CB-CE 4.3Å; F29-M93 HydrophobicContact CD2-CB 3.95Å; V30-M93 PolarHBondContact N-O 3.01Å; L45-M93 HydrophobicContact CD2-SD 3.72Å; L45-M93 HydrophobicContact CG-SD 4.15Å; L66-M93 HydrophobicContact CD1-SD 4.37Å; M93-M125 CarbonylContact C-O 3.12Å; M93-M125 WeakPolarHBondContact CA-O 3.49Å; M93-V126 HydrophobicContact CG-CG1 4.47Å; M93-V126 HydrophobicContact CG-CG2 4.09Å
94S95.3Very high92.9Very high20 Ų2076.2 Ų76.214%0.1442%0.42CS..EExtended strand (participates in β ladder)trans-144162177.158.30000110.6L124 M125S94-L124 CarbonylContact O-C 3.44Å; S94-L124 VanDerWaalsContact O-CA 3.29Å; S94-L124 WeakPolarHBondContact O-CA 3.34Å; S94-M125 PolarHBondContact N-O 3.06Å; S94-M125 PolarHBondContact O-N 2.85Å
95R94.7Very high93.3Very high159 Ų15970 Ų7060%0.640%0.396SS*.EExtended strand (participates in β ladder)trans-70.2131.4171.2-71.3-174.4174124.312.6109.8F29 E31F29-R95 HydrophobicContact CE2-CG 4.3Å; F29-R95 HydrophobicContact CZ-CG 3.97Å; E31-R95 VanDerWaalsContact CD-CZ 3.47Å; E31-R95 WeakPolarHBondContact OE1-CD 3.44Å; E31-R95 WeakPolarHBondContact OE1-CG 3.43Å; E31-R95 IonicContact OE1-CZ 3.38Å; E31-R95 IonicContact OE1-NE 2.68Å; E31-R95 PolarHBondContact OE1-NE 3.12Å; E31-R95 IonicContact OE1-NH1 3.59Å; E31-R95 PolarHBondContact OE1-NH1 2.97Å; E31-R95 IonicContact OE1-NH2 2.78Å; E31-R95 PolarHBondContact OE1-NH2 3.43Å; E31-R95 IonicContact OE2-CZ 2.8Å; E31-R95 IonicContact OE2-NH1 3.3Å; E31-R95 PolarHBondContact OE2-NH1 3.25Å; E31-R95 IonicContact OE2-NH2 3.68Å
96F94.9Very high93.7Very high30 Ų3062 Ų6213%0.13235%0.354CS..EExtended strand (participates in β ladder)trans-107142.1173.6-177.2-99000109.9P98 W123 M125 L138 L278 Q279F96-P98 HydrophobicContact CD1-CG 4.29Å; F96-P98 HydrophobicContact CE1-CB 4.32Å; F96-P98 HydrophobicContact CE1-CG 4.12Å; F96-W123 HydrophobicContact CB-CB 3.95Å; F96-W123 HydrophobicContact CD1-CB 3.99Å; F96-W123 HydrophobicContact CD1-CG 4.43Å; F96-W123 HydrophobicContact CG-CB 4.49Å; F96-W123 PolarHBondContact N-O 2.97Å; F96-W123 WeakPolarHBondContact O-CB 3.42Å; F96-M125 HydrophobicContact CB-CB 4.04Å; F96-M125 HydrophobicContact CD2-CB 4.31Å; F96-L138 HydrophobicContact CB-CD2 4.36Å; F96-L138 HydrophobicContact CD1-CD1 4.34Å; F96-L138 HydrophobicContact CD1-CD2 4.08Å; F96-L138 HydrophobicContact CD2-CD2 3.73Å; F96-L138 HydrophobicContact CE1-CD1 3.9Å; F96-L138 HydrophobicContact CE1-CD2 4.33Å; F96-L138 HydrophobicContact CE2-CD1 4.4Å; F96-L138 HydrophobicContact CE2-CD2 4Å; F96-L138 HydrophobicContact CG-CD2 3.78Å; F96-L138 HydrophobicContact CZ-CD1 3.94Å; F96-L138 HydrophobicContact CZ-CD2 4.3Å; F96-L278 HydrophobicContact CE1-CD2 3.86Å; F96-Q279 HydrophobicContact CE2-CG 4.33Å
97V94.6Very high93.9Very high97 Ų9764.2 Ų64.259%0.58837%0.368SS*.  trans-122115.3174.7-176.80000107.7L99V97-L99 HydrophobicContact CG1-CD1 4.36Å; V97-L99 HydrophobicContact CG1-CG 4.14Å; V97-L99 PolarHBondContact O-N 3.29Å; V97-L99 VanDerWaalsContact O-N 3.17Å
98P94.4Very high94Very high27 Ų2761.9 Ų61.918%0.17536%0.36CS..  trans-60.1117.9177.2-23.333.3000111.3F96 L119 W123 Y277 L278F96-P98 HydrophobicContact CD1-CG 4.29Å; F96-P98 HydrophobicContact CE1-CB 4.32Å; F96-P98 HydrophobicContact CE1-CG 4.12Å; P98-L119 HydrophobicContact CB-CB 4.49Å; P98-L119 HydrophobicContact CB-CD1 4.23Å; P98-L119 HydrophobicContact CG-CB 4.48Å; P98-W123 HydrophobicContact CG-CD2 4.16Å; P98-W123 HydrophobicContact CG-CG 4.05Å; P98-Y277 CarbonylContact C-O 3.59Å; P98-Y277 VanDerWaalsContact CA-O 3.27Å; P98-Y277 WeakPolarHBondContact CA-O 3.24Å; P98-L278 HydrophobicContact CB-CD2 4.29Å; P98-L278 HydrophobicContact CG-CD2 4.41Å
99L93.9Very high94Very high112 Ų11258.5 Ų58.559%0.58633%0.33SS*.  trans-141.6146.3-177-71.9169.7000109.5V97 Y277V97-L99 HydrophobicContact CG1-CD1 4.36Å; V97-L99 HydrophobicContact CG1-CG 4.14Å; V97-L99 PolarHBondContact O-N 3.29Å; V97-L99 VanDerWaalsContact O-N 3.17Å; L99-Y277 PolarHBondContact N-O 2.9Å; L99-Y277 VanDerWaalsContact N-O 3.11Å; L99-Y277 CarbonylContact O-C 3.44Å; L99-Y277 WeakPolarHBondContact O-CA 3.36Å
100P93.6Very high93.9Very high62 Ų6259.3 Ų59.340%0.40334%0.335SS..  trans-56.4147.9172.7-22.933.3000111.9S102 T110 Y277P100-S102 PolarHBondContact O-N 3.29Å; P100-T110 HydrophobicContact CB-CG2 4.47Å; P100-Y277 HydrophobicContact CG-CD1 3.92Å; P100-Y277 HydrophobicContact CG-CE1 3.65Å
101A93.7Very high93.5Very high24 Ų2457.8 Ų57.820%0.19834%0.338CS..  trans-57.5133.2173.300000110.2A103 A106A101-A103 VanDerWaalsContact C-N 3.25Å; A101-A103 PolarHBondContact O-N 3.43Å; A101-A106 HydrophobicContact CB-CB 3.63Å
102S91.5Very high93Very high119 Ų11960 Ų6083%0.83236%0.356SS*.SBendtrans-72.5-20.5-178.959.60000113.1P100P100-S102 PolarHBondContact O-N 3.29Å
103A91.4Very high92.4Very high23 Ų2368.2 Ų68.219%0.1938%0.384CS..SBendtrans-78.5126.8-178.700000111.5A101 W105 A106A101-A103 VanDerWaalsContact C-N 3.25Å; A101-A103 PolarHBondContact O-N 3.43Å; A103-W105 HydrophobicContact CB-CG 4.45Å; A103-W105 PolarHBondContact O-N 3.49Å; A103-W105 VanDerWaalsContact O-N 3.15Å; A103-A106 PolarHBondContact O-N 3.38Å
104N92.3Very high92Very high143 Ų14373.3 Ų73.377%0.76541%0.411SS*.G310 helixtrans-58.2-32.5-176.7-66.9-21.3000114A106 S107N104-A106 PolarHBondContact O-N 2.94Å; N104-S107 VanDerWaalsContact O-CB 3.27Å; N104-S107 WeakPolarHBondContact O-CB 3.45Å; N104-S107 PolarHBondContact O-N 3.29Å; N104-S107 PolarHBondContact O-OG 3.37Å
105W94.1Very high91.5Very high37 Ų3777.1 Ų77.114%0.1444%0.437CS..G310 helixtrans-66.4-26.1178.566.4-100.1000112.6A103 E205 A219 T221 M228 P229 H274A103-W105 HydrophobicContact CB-CG 4.45Å; A103-W105 PolarHBondContact O-N 3.49Å; A103-W105 VanDerWaalsContact O-N 3.15Å; W105-E205 HydrophobicContact CH2-CB 4.22Å; W105-E205 HydrophobicContact CZ2-CB 3.87Å; W105-E205 HydrophobicContact CZ2-CG 4.05Å; W105-A219 HydrophobicContact CD2-CB 4Å; W105-A219 HydrophobicContact CE3-CB 4.28Å; W105-A219 HydrophobicContact CH2-CB 4.29Å; W105-A219 HydrophobicContact CZ2-CB 4.01Å; W105-A219 HydrophobicContact CZ3-CB 4.41Å; W105-T221 HydrophobicContact CE3-CG2 3.8Å; W105-T221 HydrophobicContact CZ3-CG2 3.58Å; W105-M228 HydrophobicContact CB-CE 4.42Å; W105-M228 HydrophobicContact CE3-CE 4.38Å; W105-M228 HydrophobicContact CE3-SD 3.92Å; W105-P229 HydrophobicContact CB-CG 4.12Å; W105-P229 HydrophobicContact CG-CG 3.99Å; W105-H274 AromaticContact CH2-CD2 3.7Å
106A94.4Very high91.1Very high0 Ų071.8 Ų71.80%042%0.423CS..G310 helixtrans-88.2-3.517900000112.9A101 A103 N104 G108 L109A101-A106 HydrophobicContact CB-CB 3.63Å; A103-A106 PolarHBondContact O-N 3.38Å; N104-A106 PolarHBondContact O-N 2.94Å; A106-G108 PolarHBondContact O-N 3.49Å; A106-G108 VanDerWaalsContact O-N 3.1Å; A106-L109 HydrophobicContact CB-CD1 4.21Å; A106-L109 WeakPolarHBondContact O-CB 3.24Å; A106-L109 WeakPolarHBondContact O-CG 3.46Å; A106-L109 PolarHBondContact O-N 3.39Å
107S92.6Very high90.8Very high72 Ų7280.7 Ų80.750%0.50346%0.456SS..G310 helixtrans-58.2-26.9-178.160.80000113.9N104 L109 T110N104-S107 VanDerWaalsContact O-CB 3.27Å; N104-S107 WeakPolarHBondContact O-CB 3.45Å; N104-S107 PolarHBondContact O-N 3.29Å; N104-S107 PolarHBondContact O-OG 3.37Å; S107-L109 PolarHBondContact O-N 3.48Å; S107-T110 CarbonylContact O-C 3.55Å; S107-T110 PolarHBondContact O-N 3.33Å; S107-T110 VanDerWaalsContact O-N 3.14Å
108G92.2Very high90.3Very high41 Ų4177.8 Ų77.842%0.42344%0.441SS..G310 helixtrans-63.3-20.4175.300000114.4A106 T110 L224A106-G108 PolarHBondContact O-N 3.49Å; A106-G108 VanDerWaalsContact O-N 3.1Å; G108-T110 VanDerWaalsContact C-N 3.27Å; G108-T110 PolarHBondContact O-N 3.27Å; G108-L224 WeakPolarHBondContact O-CD1 3.11Å
109L91.9Very high90.1Very high14 Ų1477.5 Ų77.57%0.07344%0.438CS..G310 helixtrans-72.1-21.8175.6-62.5170.8000112.4A106 S107 P201 L224 H274A106-L109 HydrophobicContact CB-CD1 4.21Å; A106-L109 WeakPolarHBondContact O-CB 3.24Å; A106-L109 WeakPolarHBondContact O-CG 3.46Å; A106-L109 PolarHBondContact O-N 3.39Å; S107-L109 PolarHBondContact O-N 3.48Å; L109-P201 HydrophobicContact CD2-CB 4.13Å; L109-L224 HydrophobicContact CD2-CD1 3.73Å; L109-L224 HydrophobicContact CG-CD1 4.35Å; L109-H274 HydrophobicContact CD1-CB 3.66Å
110T92Very high89.8Confident27 Ų2777.3 Ų77.317%0.16644%0.438CS..  trans-130.170.3-179.956.80000110.3P100 S107 G108 A112 P276 Y277P100-T110 HydrophobicContact CB-CG2 4.47Å; S107-T110 CarbonylContact O-C 3.55Å; S107-T110 PolarHBondContact O-N 3.33Å; S107-T110 VanDerWaalsContact O-N 3.14Å; G108-T110 VanDerWaalsContact C-N 3.27Å; G108-T110 PolarHBondContact O-N 3.27Å; T110-A112 VanDerWaalsContact C-N 3.31Å; T110-A112 PolarHBondContact O-N 3.27Å; T110-P276 HydrophobicContact CG2-CB 4.32Å; T110-Y277 HydrophobicContact CG2-CD2 3.85Å; T110-Y277 HydrophobicContact CG2-CE2 3.56Å; T110-Y277 HydrophobicContact CG2-CG 4.38Å
111P86.8Confident89.6Confident112 Ų11277.3 Ų77.373%0.72745%0.449SS*.  trans-71.3-29.1-178.229-34.3000112.2
112A85.4Confident89.5Confident53 Ų5378.3 Ų78.344%0.43846%0.457SS..SBendtrans-74.1134.2177.800000110.7T110 N114 Y277T110-A112 VanDerWaalsContact C-N 3.31Å; T110-A112 PolarHBondContact O-N 3.27Å; A112-N114 WeakPolarHBondContact CB-OD1 3.25Å; A112-N114 PolarHBondContact O-N 2.86Å; A112-Y277 PolarHBondContact O-OH 3.01Å
113R84.4Confident89.7Confident259 Ų25973 Ų7398%0.97742%0.419SS*.SBendtrans-86.827.9-179.2-62.4-172.1177.9-167.7-0.3113.4
114N87.4Confident89.9Confident108 Ų10872.4 Ų72.458%0.57841%0.413SS*.SBendtrans-135.7152-178.760.13.8000111.1A112 Y277A112-N114 WeakPolarHBondContact CB-OD1 3.25Å; A112-N114 PolarHBondContact O-N 2.86Å; N114-Y277 PolarHBondContact O-OH 2.89Å
115C85.9Confident90.1Very high101 Ų10168.6 Ų68.668%0.68239%0.391SS*.  trans-78.4131.4176-620000110.3R117C115-R117 PolarHBondContact O-N 3.38Å
116P86.6Confident90.3Very high47 Ų4766.9 Ų66.931%0.30538%0.384SS..  trans-66.5125176.6-17.628.7000111.1A118 L119 Y277P116-A118 PolarHBondContact O-N 3.41Å; P116-A118 VanDerWaalsContact O-N 3.13Å; P116-L119 HydrophobicContact CB-CD1 4.33Å; P116-L119 HydrophobicContact CB-CG 4.29Å; P116-L119 HydrophobicContact CG-CD1 4.09Å; P116-L119 PolarHBondContact O-N 3.11Å; P116-Y277 HydrophobicContact CG-CD2 3.64Å; P116-Y277 HydrophobicContact CG-CE2 3.45Å; P116-Y277 VanDerWaalsContact CG-CE2 3.45Å
117R86.8Confident90.4Very high217 Ų21769.1 Ų69.182%0.81940%0.4SS*.G310 helixtrans-60.3-22.6175.2-66-172.1-177.9-179.60.1113.5C115 L119 D120C115-R117 PolarHBondContact O-N 3.38Å; R117-L119 PolarHBondContact O-N 3.23Å; R117-L119 VanDerWaalsContact O-N 3.14Å; R117-D120 WeakPolarHBondContact O-CB 3.46Å; R117-D120 PolarHBondContact O-N 3.04Å; R117-D120 VanDerWaalsContact O-N 3.12Å
118A86Confident90.5Very high35 Ų3565.7 Ų65.729%0.28938%0.376SS..G310 helixtrans-62.9-17.3175.500000113.3P116 R140 P187P116-A118 PolarHBondContact O-N 3.41Å; P116-A118 VanDerWaalsContact O-N 3.13Å; A118-R140 PolarHBondContact O-NH1 3.32Å; A118-P187 HydrophobicContact CB-CB 3.96Å; A118-P187 HydrophobicContact CB-CG 4.38Å
119L88.7Confident90.7Very high21 Ų2166.3 Ų66.311%0.1137%0.374CS..G310 helixtrans-97.16.5178.2-57.3178.3000113.4P98 P116 R117 W123 P187 Y277 L278P98-L119 HydrophobicContact CB-CB 4.49Å; P98-L119 HydrophobicContact CB-CD1 4.23Å; P98-L119 HydrophobicContact CG-CB 4.48Å; P116-L119 HydrophobicContact CB-CD1 4.33Å; P116-L119 HydrophobicContact CB-CG 4.29Å; P116-L119 HydrophobicContact CG-CD1 4.09Å; P116-L119 PolarHBondContact O-N 3.11Å; R117-L119 PolarHBondContact O-N 3.23Å; R117-L119 VanDerWaalsContact O-N 3.14Å; L119-W123 HydrophobicContact CB-CZ2 4.25Å; L119-W123 HydrophobicContact CD2-CH2 3.96Å; L119-W123 HydrophobicContact CD2-CZ2 3.75Å; L119-W123 PolarHBondContact O-NE1 2.77Å; L119-P187 HydrophobicContact CD2-CG 4.09Å; L119-Y277 HydrophobicContact CD1-CD2 4Å; L119-Y277 HydrophobicContact CD1-CG 3.89Å; L119-L278 HydrophobicContact CD2-CD1 4.43Å; L119-L278 HydrophobicContact CD2-CD2 4.41Å
120D88.7Confident90.9Very high109 Ų10966.4 Ų66.458%0.58338%0.376SS*.  trans-62149.7174.9-67.1-18.6000111R117R117-D120 WeakPolarHBondContact O-CB 3.46Å; R117-D120 PolarHBondContact O-N 3.04Å; R117-D120 VanDerWaalsContact O-N 3.12Å
121G88.6Confident90.9Very high61 Ų6170.2 Ų70.263%0.62940%0.401SS*.SBendtrans115.3-178.3179.100000114W123G121-W123 VanDerWaalsContact O-CD1 3.29Å
122A91.9Very high91.3Very high45 Ų4567.1 Ų67.137%0.37238%0.38SS..EExtended strand (participates in β ladder)trans-88.9126.9-179.100000110.9R141A122-R141 HydrophobicContact CB-CB 4.31Å; A122-R141 PolarHBondContact O-N 2.95Å
123W94.8Very high91.8Very high9 Ų964.8 Ų64.83%0.03436%0.36CS..EExtended strand (participates in β ladder)trans-113.5142.8-180-64.878.4000111.4F96 P98 L119 G121 L138 L139 R140 V158 L278F96-W123 HydrophobicContact CB-CB 3.95Å; F96-W123 HydrophobicContact CD1-CB 3.99Å; F96-W123 HydrophobicContact CD1-CG 4.43Å; F96-W123 HydrophobicContact CG-CB 4.49Å; F96-W123 PolarHBondContact N-O 2.97Å; F96-W123 WeakPolarHBondContact O-CB 3.42Å; P98-W123 HydrophobicContact CG-CD2 4.16Å; P98-W123 HydrophobicContact CG-CG 4.05Å; L119-W123 HydrophobicContact CB-CZ2 4.25Å; L119-W123 HydrophobicContact CD2-CH2 3.96Å; L119-W123 HydrophobicContact CD2-CZ2 3.75Å; L119-W123 PolarHBondContact O-NE1 2.77Å; G121-W123 VanDerWaalsContact O-CD1 3.29Å; W123-L138 HydrophobicContact CE3-CB 4.41Å; W123-L138 HydrophobicContact CZ3-CB 4.48Å; W123-L139 WeakPolarHBondContact CA-O 3.43Å; W123-R140 HydrophobicContact CE3-CB 4.42Å; W123-R140 HydrophobicContact CZ2-CG 4.45Å; W123-R140 HydrophobicContact CZ3-CB 4.47Å; W123-V158 HydrophobicContact CH2-CB 4.15Å; W123-V158 HydrophobicContact CH2-CG1 3.9Å; W123-V158 HydrophobicContact CH2-CG2 3.81Å; W123-V158 HydrophobicContact CZ3-CB 3.74Å; W123-V158 HydrophobicContact CZ3-CG1 3.88Å; W123-V158 HydrophobicContact CZ3-CG2 3.64Å; W123-L278 HydrophobicContact CE3-CD2 4.4Å; W123-L278 HydrophobicContact CH2-CD1 4.39Å; W123-L278 HydrophobicContact CH2-CD2 4.08Å; W123-L278 HydrophobicContact CZ3-CD1 4.47Å; W123-L278 HydrophobicContact CZ3-CD2 3.95Å
124L96.1Very high92.4Very high10 Ų1052.9 Ų52.95%0.05232%0.317CS..EExtended strand (participates in β ladder)trans-122.2137.8174.2-65.8173.7000109.1F29 L66 S94 L138 L139F29-L124 HydrophobicContact CE2-CD2 3.78Å; L66-L124 HydrophobicContact CD1-CD1 3.59Å; S94-L124 CarbonylContact O-C 3.44Å; S94-L124 VanDerWaalsContact O-CA 3.29Å; S94-L124 WeakPolarHBondContact O-CA 3.34Å; L124-L138 WeakPolarHBondContact O-CA 3.29Å; L124-L139 HydrophobicContact CB-CB 4.43Å; L124-L139 PolarHBondContact N-O 2.99Å; L124-L139 PolarHBondContact O-N 3.26Å
125M97Very high92.8Very high62 Ų6247.8 Ų47.831%0.30529%0.29SS..EExtended strand (participates in β ladder)trans-101.3128.6165.9179.5-113.2-69.300108.2M93 S94 F96 S137 L138M93-M125 CarbonylContact C-O 3.12Å; M93-M125 WeakPolarHBondContact CA-O 3.49Å; S94-M125 PolarHBondContact N-O 3.06Å; S94-M125 PolarHBondContact O-N 2.85Å; F96-M125 HydrophobicContact CB-CB 4.04Å; F96-M125 HydrophobicContact CD2-CB 4.31Å; M125-S137 WeakPolarHBondContact CA-O 3.12Å; M125-L138 HydrophobicContact CB-CD2 3.86Å; M125-L138 HydrophobicContact CG-CD2 3.98Å
126V97.4Very high93.4Very high1 Ų143.2 Ų43.21%0.00626%0.259CS..EExtended strand (participates in β ladder)trans-112.3122.2176.8-178.90000107.7L45 E92 M93 M128 S136 S137 L139L45-V126 HydrophobicContact CD1-CG1 3.63Å; L45-V126 HydrophobicContact CD1-CG2 4.27Å; E92-V126 CarbonylContact O-C 3.6Å; E92-V126 WeakPolarHBondContact O-CA 3.29Å; M93-V126 HydrophobicContact CG-CG1 4.47Å; M93-V126 HydrophobicContact CG-CG2 4.09Å; V126-M128 HydrophobicContact CG1-CE 3.39Å; V126-M128 HydrophobicContact CG1-CG 4.09Å; V126-S136 CarbonylContact O-C 3.6Å; V126-S136 VanDerWaalsContact O-CA 3.29Å; V126-S136 WeakPolarHBondContact O-CA 3.37Å; V126-S137 PolarHBondContact N-O 3.07Å; V126-S137 PolarHBondContact O-N 3.48Å; V126-L139 HydrophobicContact CB-CD1 4.3Å; V126-L139 HydrophobicContact CG2-CD1 3.74Å; V126-L139 HydrophobicContact CG2-CD2 4.09Å; V126-L139 HydrophobicContact CG2-CG 4.44Å
127S97.1Very high93.9Very high47 Ų4741 Ų4133%0.32925%0.245SC..EExtended strand (participates in β ladder)trans-113.5129.4174.7-175.50000109.2C91 E92C91-S127 WeakPolarHBondContact CA-O 3.42Å; E92-S127 PolarHBondContact N-O 3.48Å; E92-S127 PolarHBondContact O-N 3.12Å
128M95.8Very high94.4Very high0 Ų030.7 Ų30.70%021%0.206CC..EExtended strand (participates in β ladder)trans-128.6133.1179.5-58.5-172-16600110.9I25 L45 L75 F79 H90 C91 V126 S134 L135I25-M128 HydrophobicContact CD1-CE 3.91Å; I25-M128 HydrophobicContact CD1-SD 3.64Å; I25-M128 HydrophobicContact CG2-CE 4.41Å; I25-M128 HydrophobicContact CG2-SD 4.38Å; L45-M128 HydrophobicContact CD1-CE 3.29Å; L75-M128 HydrophobicContact CD1-CE 4.47Å; F79-M128 HydrophobicContact CE1-SD 4.36Å; F79-M128 HydrophobicContact CE2-CE 4.3Å; F79-M128 HydrophobicContact CE2-SD 3.42Å; F79-M128 WeakPolarHBondContact CE2-SD 3.49Å; F79-M128 HydrophobicContact CZ-SD 3.24Å; F79-M128 WeakPolarHBondContact CZ-SD 3.43Å; H90-M128 CarbonylContact O-C 3.59Å; H90-M128 WeakPolarHBondContact O-CA 3.23Å; C91-M128 HydrophobicContact CB-CG 4.18Å; V126-M128 HydrophobicContact CG1-CE 3.39Å; V126-M128 HydrophobicContact CG1-CG 4.09Å; M128-S134 CarbonylContact O-C 3.56Å; M128-S134 WeakPolarHBondContact O-CA 3.47Å; M128-L135 HydrophobicContact CB-CB 4.5Å; M128-L135 HydrophobicContact CB-CD2 4.26Å; M128-L135 HydrophobicContact CG-CD2 4.16Å; M128-L135 PolarHBondContact N-O 2.82Å; M128-L135 PolarHBondContact O-N 2.82Å; M128-L135 HydrophobicContact SD-CD2 4.22Å
129S95.5Very high94.9Very high55 Ų5529 Ų2939%0.38519%0.192SC..EExtended strand (participates in β ladder)trans-136.6135.3177.964.90000111.9H90H90-S129 PolarHBondContact N-O 3.13Å; H90-S129 PolarHBondContact O-N 3.41Å
130S95.3Very high95.1Very high15 Ų1531 Ų3111%0.10520%0.197CC..  trans-151.3173.8170.287.20000110Y82 V132 L133 P166Y82-S130 WeakPolarHBondContact CE2-OG 3.44Å; Y82-S130 VanDerWaalsContact OH-CB 3.28Å; Y82-S130 WeakPolarHBondContact OH-CB 3.43Å; Y82-S130 PolarHBondContact OH-OG 3Å; S130-V132 PolarHBondContact O-N 3.34Å; S130-V132 PolarHBondContact OG-N 2.82Å; S130-L133 PolarHBondContact N-O 2.81Å; S130-L133 VanDerWaalsContact O-O 3.08Å; S130-L133 PolarHBondContact OG-N 2.89Å; S130-P166 VanDerWaalsContact O-CG 3.23Å; S130-P166 WeakPolarHBondContact O-CG 3.27Å
131P93.7Very high95.2Very high108 Ų10828.6 Ų28.670%0.70118%0.18SC*.SBendtrans-64.3-15.3171.8-22.134.4000113.9P166P131-P166 WeakPolarHBondContact O-CG 3.3Å
132V94.5Very high95Very high47 Ų4730 Ų3029%0.28517%0.171SC..SBendtrans-92.7-42.8-176.8179.40000111.4Y82 P83 A86 S130 H164 P166Y82-V132 HydrophobicContact CD2-CB 4.27Å; Y82-V132 HydrophobicContact CD2-CG1 4.04Å; Y82-V132 HydrophobicContact CE2-CB 3.74Å; Y82-V132 HydrophobicContact CE2-CG1 4.03Å; Y82-V132 HydrophobicContact CE2-CG2 4.11Å; P83-V132 HydrophobicContact CG-CG1 4.24Å; P83-V132 HydrophobicContact CG-CG2 4.16Å; A86-V132 HydrophobicContact CB-CG2 4Å; S130-V132 PolarHBondContact O-N 3.34Å; S130-V132 PolarHBondContact OG-N 2.82Å; V132-H164 VanDerWaalsContact O-O 3.06Å; V132-P166 WeakPolarHBondContact O-CD 3.18Å
133L95.3Very high94.1Very high4 Ų433.3 Ų33.32%0.02119%0.188CC..  trans-151.4160.4-178.360.480.9000112A78 F79 Y82 S130 L135 L162 T163A78-L133 HydrophobicContact CB-CD2 4.15Å; F79-L133 HydrophobicContact CE1-CD1 4.39Å; F79-L133 HydrophobicContact CE1-CD2 4.44Å; F79-L133 HydrophobicContact CZ-CD1 4.09Å; Y82-L133 HydrophobicContact CD2-CD2 3.89Å; Y82-L133 HydrophobicContact CD2-CG 4.34Å; Y82-L133 HydrophobicContact CE2-CD2 4.28Å; Y82-L133 HydrophobicContact CE2-CG 4.22Å; S130-L133 PolarHBondContact N-O 2.81Å; S130-L133 VanDerWaalsContact O-O 3.08Å; S130-L133 PolarHBondContact OG-N 2.89Å; L133-L135 HydrophobicContact CD1-CB 4.21Å; L133-L162 HydrophobicContact CB-CD1 4Å; L133-L162 HydrophobicContact CD1-CD1 4.32Å; L133-L162 HydrophobicContact CD2-CD1 4.41Å; L133-L162 HydrophobicContact CG-CD1 4.48Å; L133-T163 WeakPolarHBondContact CA-O 3.48Å; L133-T163 WeakPolarHBondContact CB-O 3.41Å
134S97.3Very high92.7Very high9 Ų939.8 Ų39.86%0.06322%0.219CC..EExtended strand (participates in β ladder)trans-132.3128.5169.8170.70000108.2M128 T163 T283M128-S134 CarbonylContact O-C 3.56Å; M128-S134 WeakPolarHBondContact O-CA 3.47Å; S134-T163 PolarHBondContact N-O 3.16Å; S134-T163 WeakPolarHBondContact O-CG2 3.32Å; S134-T163 PolarHBondContact O-N 2.8Å; S134-T283 WeakPolarHBondContact CB-O 3.37Å; S134-T283 PolarHBondContact OG-O 2.91Å
135L96.2Very high91.1Very high1 Ų141.2 Ų41.21%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-141.9143.4-169169.5143.2000110.9L75 M128 L133 T160 V161 L162L75-L135 HydrophobicContact CD1-CD1 3.58Å; L75-L135 HydrophobicContact CD1-CD2 3.64Å; L75-L135 HydrophobicContact CD1-CG 4.28Å; M128-L135 HydrophobicContact CB-CB 4.5Å; M128-L135 HydrophobicContact CB-CD2 4.26Å; M128-L135 HydrophobicContact CG-CD2 4.16Å; M128-L135 PolarHBondContact N-O 2.82Å; M128-L135 PolarHBondContact O-N 2.82Å; M128-L135 HydrophobicContact SD-CD2 4.22Å; L133-L135 HydrophobicContact CD1-CB 4.21Å; L135-T160 HydrophobicContact CD1-CG2 3.49Å; L135-T160 VanDerWaalsContact CD1-CG2 3.49Å; L135-T160 HydrophobicContact CG-CG2 4.07Å; L135-V161 CarbonylContact C-O 3.53Å; L135-V161 VanDerWaalsContact CA-O 3.28Å; L135-V161 WeakPolarHBondContact CA-O 3.36Å; L135-L162 HydrophobicContact CB-CD1 3.85Å; L135-L162 HydrophobicContact CD1-CB 4.37Å; L135-L162 HydrophobicContact CD1-CD1 3.96Å; L135-L162 HydrophobicContact CG-CD1 4.48Å
136S97.9Very high89.3Confident5 Ų544 Ų444%0.03524%0.241CC..EExtended strand (participates in β ladder)trans-127.4134.4167.2-179.80000109.2V126 T160 V161 Q281V126-S136 CarbonylContact O-C 3.6Å; V126-S136 VanDerWaalsContact O-CA 3.29Å; V126-S136 WeakPolarHBondContact O-CA 3.37Å; S136-T160 CarbonylContact O-C 3.5Å; S136-T160 WeakPolarHBondContact O-CA 3.48Å; S136-V161 PolarHBondContact N-O 2.89Å; S136-V161 PolarHBondContact O-N 3.42Å; S136-Q281 WeakPolarHBondContact CB-O 3.46Å
137S97.8Very high87.3Confident1 Ų151.4 Ų51.41%0.00728%0.275CS..EExtended strand (participates in β ladder)trans-135.1140.1177.4-69.30000111.9M125 V126 L159 T160M125-S137 WeakPolarHBondContact CA-O 3.12Å; V126-S137 PolarHBondContact N-O 3.07Å; V126-S137 PolarHBondContact O-N 3.48Å; S137-L159 CarbonylContact C-O 3.46Å; S137-L159 WeakPolarHBondContact CA-O 3.49Å; S137-T160 WeakPolarHBondContact OG-CB 3.4Å; S137-T160 WeakPolarHBondContact OG-CG2 3.22Å; S137-T160 PolarHBondContact OG-OG1 3Å
138L97.8Very high85.3Confident0 Ų057.2 Ų57.20%030%0.297CS..EExtended strand (participates in β ladder)trans-99.5120.5171.6-59.8-177000109F96 W123 L124 M125 V158 L159 L278F96-L138 HydrophobicContact CB-CD2 4.36Å; F96-L138 HydrophobicContact CD1-CD1 4.34Å; F96-L138 HydrophobicContact CD1-CD2 4.08Å; F96-L138 HydrophobicContact CD2-CD2 3.73Å; F96-L138 HydrophobicContact CE1-CD1 3.9Å; F96-L138 HydrophobicContact CE1-CD2 4.33Å; F96-L138 HydrophobicContact CE2-CD1 4.4Å; F96-L138 HydrophobicContact CE2-CD2 4Å; F96-L138 HydrophobicContact CG-CD2 3.78Å; F96-L138 HydrophobicContact CZ-CD1 3.94Å; F96-L138 HydrophobicContact CZ-CD2 4.3Å; W123-L138 HydrophobicContact CE3-CB 4.41Å; W123-L138 HydrophobicContact CZ3-CB 4.48Å; L124-L138 WeakPolarHBondContact O-CA 3.29Å; M125-L138 HydrophobicContact CB-CD2 3.86Å; M125-L138 HydrophobicContact CG-CD2 3.98Å; L138-V158 PolarHBondContact O-N 2.62Å; L138-L159 HydrophobicContact CB-CB 4.3Å; L138-L159 HydrophobicContact CD1-CB 4.28Å; L138-L159 HydrophobicContact CD1-CD2 4.05Å; L138-L159 HydrophobicContact CG-CB 4.38Å; L138-L159 PolarHBondContact N-O 3.07Å; L138-L278 HydrophobicContact CD1-CB 3.92Å; L138-L278 HydrophobicContact CD1-CD2 4.04Å; L138-L278 HydrophobicContact CD1-CG 4.45Å
139L95.8Very high83.6Confident0 Ų061.4 Ų61.40%033%0.325CS..EExtended strand (participates in β ladder)trans-111.9135-179.6-79.567.3000109.1L45 L66 V68 W123 L124 V126 A155 T156 V157L45-L139 HydrophobicContact CD2-CD2 4.4Å; L66-L139 HydrophobicContact CD1-CD2 4.29Å; V68-L139 HydrophobicContact CG2-CD2 4.31Å; W123-L139 WeakPolarHBondContact CA-O 3.43Å; L124-L139 HydrophobicContact CB-CB 4.43Å; L124-L139 PolarHBondContact N-O 2.99Å; L124-L139 PolarHBondContact O-N 3.26Å; V126-L139 HydrophobicContact CB-CD1 4.3Å; V126-L139 HydrophobicContact CG2-CD1 3.74Å; V126-L139 HydrophobicContact CG2-CD2 4.09Å; V126-L139 HydrophobicContact CG2-CG 4.44Å; L139-A155 HydrophobicContact CB-CB 4.34Å; L139-A155 HydrophobicContact CD2-CB 3.98Å; L139-T156 CarbonylContact C-O 3.53Å; L139-T156 WeakPolarHBondContact CA-O 3.5Å; L139-V157 HydrophobicContact CD1-CG2 4.25Å; L139-V157 HydrophobicContact CG-CG2 4.16Å
140R93.7Very high82.4Confident61 Ų6159.8 Ų59.823%0.2331%0.312CS..EExtended strand (participates in β ladder)trans-98.6120.4169.6-168.5174.469.9-178.50.9109.3A118 W123 A155 T156 V158A118-R140 PolarHBondContact O-NH1 3.32Å; W123-R140 HydrophobicContact CE3-CB 4.42Å; W123-R140 HydrophobicContact CZ2-CG 4.45Å; W123-R140 HydrophobicContact CZ3-CB 4.47Å; R140-A155 WeakPolarHBondContact O-CA 3.47Å; R140-T156 PolarHBondContact N-O 2.79Å; R140-T156 PolarHBondContact O-N 2.83Å; R140-V158 HydrophobicContact CB-CG2 4.13Å
141R90.8Very high81.7Confident59 Ų5963.9 Ų63.922%0.22333%0.333CS..EExtended strand (participates in β ladder)trans-80.6136.8-179.9-161.9174.574.6169.57.7110.1E63 A122 T153E63-R141 IonicContact OE2-CZ 3.75Å; E63-R141 VanDerWaalsContact OE2-CZ 3.31Å; E63-R141 IonicContact OE2-NH1 3.2Å; E63-R141 PolarHBondContact OE2-NH1 2.92Å; E63-R141 IonicContact OE2-NH2 3.78Å; E63-R141 PolarHBondContact OE2-NH2 3.48Å; A122-R141 HydrophobicContact CB-CB 4.31Å; A122-R141 PolarHBondContact O-N 2.95Å; R141-T153 HydrophobicContact CG-CG2 3.44Å; R141-T153 VanDerWaalsContact CG-CG2 3.44Å
142Q84.4Confident81.4Confident92 Ų9259 Ų5943%0.4330%0.3SS..PPolyproline II helixtrans-73.5145.2169.8-69.9-86.6-000109.8E144 M154Q142-E144 VanDerWaalsContact C-N 3.34Å; Q142-E144 PolarHBondContact O-N 2.86Å; Q142-M154 HydrophobicContact CB-CB 4.19Å; Q142-M154 WeakPolarHBondContact CB-O 3.01Å; Q142-M154 HydrophobicContact CG-CB 3.86Å; Q142-M154 PolarHBondContact N-O 3.48Å
143P71.1Confident81.1Confident113 Ų11356.8 Ų56.873%0.73429%0.287SS*.SBendtrans-62.4-34.6-172.7-23.433.5000114.7
144E66.6Low80.9Confident146 Ų14658.1 Ų58.168%0.68229%0.294SS*.SBendtrans-116.7134.3-178.7-131.676-154.600110.5Q142Q142-E144 VanDerWaalsContact C-N 3.34Å; Q142-E144 PolarHBondContact O-N 2.86Å
145P61.8Low80.7Confident40 Ų4057.7 Ų57.726%0.2629%0.291SS..PPolyproline II helixtrans-57.6138165-19.331.3000109.8Q147P145-Q147 PolarHBondContact O-N 2.85Å
146Q60.1Low80.6Confident120 Ų12058.9 Ų58.956%0.56130%0.298SS*.BIsolated β-bridgetrans-64.3130.2174.9-80.1-172.3-2.300108.9I152 M154Q146-I152 PolarHBondContact N-O 3.02Å; Q146-I152 VanDerWaalsContact N-O 3.14Å; Q146-M154 HydrophobicContact CG-CG 3.88Å
147Q55.5Low80.5Confident156 Ų15658.8 Ų58.873%0.72930%0.297SS*.PPolyproline II helixtrans-96.7125.6-175-159.8142.43.100111.1P145P145-Q147 PolarHBondContact O-N 2.85Å
148E53.6Low80.4Confident169 Ų16959.2 Ų59.279%0.7930%0.3SS*.SBendtrans68.8130.7174.4-76173.1170.900118.3
149P60.8Low80.4Confident89 Ų8959.2 Ų59.258%0.57830%0.3SS*.SBendcis-91.8-7.35.329.5-27.2000116.1E53E53-P149 HydrophobicContact CG-CG 4Å; E53-P149 VanDerWaalsContact OE1-CG 3.32Å; E53-P149 WeakPolarHBondContact OE1-CG 3.49Å; E53-P149 VanDerWaalsContact OE2-CG 3.29Å; E53-P149 WeakPolarHBondContact OE2-CG 3.44Å
150V71.3Confident80.5Confident20 Ų2059.3 Ų59.312%0.12130%0.301CS..SBendtrans-125.7127.4-177.9-179.70000111.2P54 Y65 I152P54-V150 HydrophobicContact CB-CB 4.49Å; P54-V150 HydrophobicContact CB-CG1 4.4Å; P54-V150 WeakPolarHBondContact O-CG2 3.5Å; Y65-V150 HydrophobicContact CE1-CG1 4.35Å; V150-I152 PolarHBondContact O-N 3.31Å
151L80.8Confident80.8Confident101 Ų10156.4 Ų56.453%0.52929%0.29SS..  trans-70.394.3176.9-69.5170.2000110.1P62P62-L151 HydrophobicContact CB-CB 3.92Å; P62-L151 HydrophobicContact CG-CB 3.91Å; P62-L151 HydrophobicContact CG-CD1 4.28Å
152I85.6Confident81.1Confident5 Ų553.7 Ų53.73%0.02628%0.279CS..BIsolated β-bridgetrans-136.9139.5179.7-167.3170000109.6L46 P54 Y65 N67 Q146 V150L46-I152 HydrophobicContact CB-CD1 4.24Å; L46-I152 HydrophobicContact CD2-CD1 3.76Å; P54-I152 HydrophobicContact CB-CD1 4.23Å; Y65-I152 HydrophobicContact CD1-CB 4.04Å; Y65-I152 HydrophobicContact CD1-CD1 3.91Å; Y65-I152 HydrophobicContact CD1-CG1 3.75Å; Y65-I152 HydrophobicContact CD2-CD1 4.03Å; Y65-I152 HydrophobicContact CD2-CG1 4.23Å; Y65-I152 HydrophobicContact CE1-CB 4.25Å; Y65-I152 HydrophobicContact CE1-CD1 3.62Å; Y65-I152 HydrophobicContact CE1-CG1 3.97Å; Y65-I152 HydrophobicContact CE2-CD1 3.73Å; Y65-I152 HydrophobicContact CE2-CG1 4.41Å; Y65-I152 HydrophobicContact CG-CD1 4.12Å; Y65-I152 HydrophobicContact CG-CG1 3.9Å; Y65-I152 VanDerWaalsContact O-CG1 3.27Å; Y65-I152 WeakPolarHBondContact O-CG1 3.15Å; N67-I152 HydrophobicContact CB-CD1 3.67Å; N67-I152 HydrophobicContact CB-CG1 3.99Å; Q146-I152 PolarHBondContact N-O 3.02Å; Q146-I152 VanDerWaalsContact N-O 3.14Å; V150-I152 PolarHBondContact O-N 3.31Å
153T89.6Confident81.7Confident2 Ų249.3 Ų49.31%0.01226%0.259CS..EExtended strand (participates in β ladder)trans-94.3129.4-179-57.30000110.5P62 Y65 L66 N67 R141P62-T153 PolarHBondContact O-OG1 2.83Å; Y65-T153 PolarHBondContact O-N 3.42Å; L66-T153 CarbonylContact C-O 3.54Å; L66-T153 VanDerWaalsContact CA-O 3.25Å; L66-T153 WeakPolarHBondContact CA-O 2.96Å; L66-T153 HydrophobicContact CD2-CG2 4.27Å; N67-T153 PolarHBondContact N-O 3.37Å; R141-T153 HydrophobicContact CG-CG2 3.44Å; R141-T153 VanDerWaalsContact CG-CG2 3.44Å
154M90.3Very high82.8Confident32 Ų3247.7 Ų47.716%0.15824%0.241CC..EExtended strand (participates in β ladder)trans-74.7133.1173.9-71.5-61.2-53.400110.5N67 H69 Q142 Q146N67-M154 HydrophobicContact CB-CE 4.31Å; N67-M154 HydrophobicContact CB-SD 3.52Å; N67-M154 VanDerWaalsContact CB-SD 3.52Å; N67-M154 PolarHBondContact ND2-SD 3.33Å; N67-M154 VanDerWaalsContact ND2-SD 3.36Å; H69-M154 HydrophobicContact CB-CE 4.12Å; Q142-M154 HydrophobicContact CB-CB 4.19Å; Q142-M154 WeakPolarHBondContact CB-O 3.01Å; Q142-M154 HydrophobicContact CG-CB 3.86Å; Q142-M154 PolarHBondContact N-O 3.48Å; Q146-M154 HydrophobicContact CG-CG 3.88Å
155A93.3Very high84.2Confident0 Ų043.2 Ų43.20%022%0.224CC..EExtended strand (participates in β ladder)trans-130.7133.3174.100000110.1L66 N67 H69 L139 R140L66-A155 HydrophobicContact CB-CB 4.14Å; L66-A155 HydrophobicContact CD1-CB 4.15Å; L66-A155 HydrophobicContact CD2-CB 4.5Å; N67-A155 PolarHBondContact O-N 2.89Å; H69-A155 PolarHBondContact N-O 3.42Å; L139-A155 HydrophobicContact CB-CB 4.34Å; L139-A155 HydrophobicContact CD2-CB 3.98Å; R140-A155 WeakPolarHBondContact O-CA 3.47Å
156T94.2Very high85.8Confident25 Ų2542.1 Ų42.115%0.15322%0.217CC..EExtended strand (participates in β ladder)trans-103127.7177.4-55.90000110H69 P71 L139 R140H69-T156 CarbonylContact O-C 3.24Å; H69-T156 WeakPolarHBondContact O-CA 3.42Å; P71-T156 HydrophobicContact CG-CG2 3.94Å; L139-T156 CarbonylContact C-O 3.53Å; L139-T156 WeakPolarHBondContact CA-O 3.5Å; R140-T156 PolarHBondContact N-O 2.79Å; R140-T156 PolarHBondContact O-N 2.83Å
157V96Very high87.6Confident4 Ų439.2 Ų39.22%0.02421%0.214CC..EExtended strand (participates in β ladder)trans-72.3129.4173.3-175.80000109.2V68 H69 D70 L75 L139 T160V68-V157 HydrophobicContact CG1-CG2 3.51Å; H69-V157 PolarHBondContact O-N 2.91Å; D70-V157 HydrophobicContact CB-CB 4.39Å; D70-V157 HydrophobicContact CB-CG2 4.02Å; L75-V157 HydrophobicContact CD2-CG2 3.79Å; L139-V157 HydrophobicContact CD1-CG2 4.25Å; L139-V157 HydrophobicContact CG-CG2 4.16Å; V157-T160 WeakPolarHBondContact CG1-OG1 3.11Å
158V96.1Very high89.5Confident9 Ų932.7 Ų32.76%0.05519%0.185CC..EExtended strand (participates in β ladder)trans-109.8-46.1-178.9176.60000111.4W123 L138 R140 Y184 M185 L278W123-V158 HydrophobicContact CH2-CB 4.15Å; W123-V158 HydrophobicContact CH2-CG1 3.9Å; W123-V158 HydrophobicContact CH2-CG2 3.81Å; W123-V158 HydrophobicContact CZ3-CB 3.74Å; W123-V158 HydrophobicContact CZ3-CG1 3.88Å; W123-V158 HydrophobicContact CZ3-CG2 3.64Å; L138-V158 PolarHBondContact O-N 2.62Å; R140-V158 HydrophobicContact CB-CG2 4.13Å; V158-Y184 HydrophobicContact CG1-CD2 4.31Å; V158-Y184 HydrophobicContact CG1-CE2 3.93Å; V158-Y184 CarbonylContact O-C 3.59Å; V158-Y184 WeakPolarHBondContact O-CA 3.41Å; V158-Y184 VanDerWaalsContact O-CD2 3.32Å; V158-Y184 WeakPolarHBondContact O-CD2 3.36Å; V158-M185 PolarHBondContact O-N 2.81Å; V158-L278 HydrophobicContact CG1-CD1 3.91Å
159L97.6Very high91.5Very high1 Ų131.2 Ų31.21%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-132.5134.3176.8172.465.4000108.3S137 L138 V161 A183 L275S137-L159 CarbonylContact C-O 3.46Å; S137-L159 WeakPolarHBondContact CA-O 3.49Å; L138-L159 HydrophobicContact CB-CB 4.3Å; L138-L159 HydrophobicContact CD1-CB 4.28Å; L138-L159 HydrophobicContact CD1-CD2 4.05Å; L138-L159 HydrophobicContact CG-CB 4.38Å; L138-L159 PolarHBondContact N-O 3.07Å; L159-V161 HydrophobicContact CD1-CG2 4.29Å; L159-V161 HydrophobicContact CD2-CG2 4.44Å; L159-V161 HydrophobicContact CG-CG2 4.29Å; L159-A183 WeakPolarHBondContact CA-O 3.27Å; L159-A183 WeakPolarHBondContact CD1-O 3.29Å; L159-L275 HydrophobicContact CD1-CD1 3.67Å; L159-L275 HydrophobicContact CD2-CD1 4.23Å; L159-L275 HydrophobicContact CG-CD1 4.37Å
160T98.1Very high93.2Very high2 Ų227.6 Ų27.61%0.01215%0.148CC..EExtended strand (participates in β ladder)trans-127133.2168.9-64.80000108.9F74 L135 S136 S137 V157 F182 A183F74-T160 HydrophobicContact CD1-CG2 3.8Å; L135-T160 HydrophobicContact CD1-CG2 3.49Å; L135-T160 VanDerWaalsContact CD1-CG2 3.49Å; L135-T160 HydrophobicContact CG-CG2 4.07Å; S136-T160 CarbonylContact O-C 3.5Å; S136-T160 WeakPolarHBondContact O-CA 3.48Å; S137-T160 WeakPolarHBondContact OG-CB 3.4Å; S137-T160 WeakPolarHBondContact OG-CG2 3.22Å; S137-T160 PolarHBondContact OG-OG1 3Å; V157-T160 WeakPolarHBondContact CG1-OG1 3.11Å; T160-F182 CarbonylContact O-C 3.51Å; T160-F182 WeakPolarHBondContact O-CA 3.36Å; T160-F182 VanDerWaalsContact O-CB 3.24Å; T160-F182 WeakPolarHBondContact O-CB 3.2Å; T160-A183 PolarHBondContact N-O 2.82Å; T160-A183 PolarHBondContact O-N 3.07Å
161V98.4Very high94.4Very high0 Ų031.9 Ų31.90%016%0.162CC..EExtended strand (participates in β ladder)trans-120.7130.7171.2-1750000107.3L135 S136 L159 L180 F182 I273 V282L135-V161 CarbonylContact C-O 3.53Å; L135-V161 VanDerWaalsContact CA-O 3.28Å; L135-V161 WeakPolarHBondContact CA-O 3.36Å; S136-V161 PolarHBondContact N-O 2.89Å; S136-V161 PolarHBondContact O-N 3.42Å; L159-V161 HydrophobicContact CD1-CG2 4.29Å; L159-V161 HydrophobicContact CD2-CG2 4.44Å; L159-V161 HydrophobicContact CG-CG2 4.29Å; V161-L180 HydrophobicContact CG1-CD1 3.69Å; V161-F182 HydrophobicContact CG2-CB 4.19Å; V161-I273 HydrophobicContact CG1-CG1 4.01Å; V161-I273 HydrophobicContact CG2-CB 3.86Å; V161-I273 HydrophobicContact CG2-CG1 3.9Å; V161-V282 HydrophobicContact CB-CG1 4.14Å; V161-V282 HydrophobicContact CG1-CG1 3.88Å; V161-V282 HydrophobicContact CG1-CG2 4.01Å; V161-V282 WeakPolarHBondContact O-CG1 3.41Å
162L97.7Very high95.1Very high2 Ų227.9 Ų27.91%0.0114%0.141CC..EExtended strand (participates in β ladder)trans-140.3143-170.7175.764.3000110.6F74 A78 L133 L135 H164 S181F74-L162 HydrophobicContact CD1-CB 4.34Å; F74-L162 HydrophobicContact CD1-CD2 4.2Å; F74-L162 HydrophobicContact CE1-CB 3.68Å; F74-L162 HydrophobicContact CE1-CD2 3.64Å; F74-L162 HydrophobicContact CE1-CG 4.3Å; F74-L162 HydrophobicContact CZ-CD2 4.17Å; A78-L162 HydrophobicContact CB-CD1 4.34Å; A78-L162 HydrophobicContact CB-CD2 3.83Å; L133-L162 HydrophobicContact CB-CD1 4Å; L133-L162 HydrophobicContact CD1-CD1 4.32Å; L133-L162 HydrophobicContact CD2-CD1 4.41Å; L133-L162 HydrophobicContact CG-CD1 4.48Å; L135-L162 HydrophobicContact CB-CD1 3.85Å; L135-L162 HydrophobicContact CD1-CB 4.37Å; L135-L162 HydrophobicContact CD1-CD1 3.96Å; L135-L162 HydrophobicContact CG-CD1 4.48Å; L162-H164 VanDerWaalsContact CD2-CE1 3.45Å; L162-H164 WeakPolarHBondContact CD2-CE1 3.38Å; L162-S181 PolarHBondContact N-O 2.82Å; L162-S181 PolarHBondContact O-N 3.22Å; L162-S181 VanDerWaalsContact O-O 3.12Å; L162-S181 PolarHBondContact O-OG 2.76Å
163T97.6Very high95.5Very high0 Ų029.2 Ų29.20%016%0.156CC..EExtended strand (participates in β ladder)trans-125.3132.9160.6-1790000110L133 S134 T165 D179 V282 L284L133-T163 WeakPolarHBondContact CA-O 3.48Å; L133-T163 WeakPolarHBondContact CB-O 3.41Å; S134-T163 PolarHBondContact N-O 3.16Å; S134-T163 WeakPolarHBondContact O-CG2 3.32Å; S134-T163 PolarHBondContact O-N 2.8Å; T163-T165 VanDerWaalsContact C-N 3.29Å; T163-T165 PolarHBondContact OG1-N 2.91Å; T163-D179 WeakPolarHBondContact CB-O 3.41Å; T163-D179 PolarHBondContact OG1-O 3.01Å; T163-V282 HydrophobicContact CG2-CB 4.48Å; T163-V282 HydrophobicContact CG2-CG2 4.32Å; T163-L284 HydrophobicContact CG2-CD1 4.09Å; T163-L284 HydrophobicContact CG2-CD2 4.13Å; T163-L284 HydrophobicContact CG2-CG 3.77Å; T163-L284 WeakPolarHBondContact OG1-CD2 3.41Å
164H94.9Very high95.9Very high78 Ų7834.6 Ų34.636%0.36118%0.181SC..SBendtrans-85.4-5.1173.6-5988000112.5V132 L162 D179V132-H164 VanDerWaalsContact O-O 3.06Å; L162-H164 VanDerWaalsContact CD2-CE1 3.45Å; L162-H164 WeakPolarHBondContact CD2-CE1 3.38Å; H164-D179 WeakPolarHBondContact CB-OD2 3.43Å; H164-D179 IonicContact CG-OD2 2.74Å; H164-D179 PolarHBondContact N-OD2 3.07Å; H164-D179 IonicContact ND1-OD2 2.82Å; H164-D179 PolarHBondContact ND1-OD2 3.02Å
165T95.4Very high96.2Very high53 Ų5336.6 Ų36.633%0.32519%0.193SC..  trans-125.973.7178.857.90000109.4T163 A167 P168 D179T163-T165 VanDerWaalsContact C-N 3.29Å; T163-T165 PolarHBondContact OG1-N 2.91Å; T165-A167 VanDerWaalsContact C-N 3.26Å; T165-A167 PolarHBondContact O-N 2.81Å; T165-P168 VanDerWaalsContact O-CD 3.31Å; T165-P168 WeakPolarHBondContact O-CD 3.2Å; T165-D179 HydrophobicContact CG2-CB 4.43Å; T165-D179 WeakPolarHBondContact OG1-CB 3.36Å
166P96Very high96.4Very high16 Ų1636.9 Ų36.910%0.10420%0.195CC..SBendtrans-69.8-22.4-176.629.7-36.8000113S130 P131 V132 L284 E285S130-P166 VanDerWaalsContact O-CG 3.23Å; S130-P166 WeakPolarHBondContact O-CG 3.27Å; P131-P166 WeakPolarHBondContact O-CG 3.3Å; V132-P166 WeakPolarHBondContact O-CD 3.18Å; P166-L284 CarbonylContact O-C 3.55Å; P166-L284 VanDerWaalsContact O-CA 3.25Å; P166-L284 WeakPolarHBondContact O-CA 3.41Å; P166-E285 PolarHBondContact O-N 2.77Å
167A96.1Very high96.5Very high60 Ų6040.7 Ų40.750%0.49621%0.214SC..SBendtrans-131.968.3176.700000110.9T165 R169 E285T165-A167 VanDerWaalsContact C-N 3.26Å; T165-A167 PolarHBondContact O-N 2.81Å; A167-R169 PolarHBondContact O-N 3Å; A167-E285 CarbonylContact C-O 3.53Å; A167-E285 WeakPolarHBondContact CA-O 3.3Å
168P96Very high96.6Very high18 Ų1840.5 Ų40.512%0.11721%0.213CC..  trans-66.7135.9-175.524.2-25.4000110.3T165 L178 E285 L286 A287T165-P168 VanDerWaalsContact O-CD 3.31Å; T165-P168 WeakPolarHBondContact O-CD 3.2Å; P168-L178 HydrophobicContact CB-CD2 4.13Å; P168-L178 HydrophobicContact CG-CD2 3.6Å; P168-E285 WeakPolarHBondContact CD-O 3.33Å; P168-L286 HydrophobicContact CB-CD1 4.25Å; P168-L286 HydrophobicContact CG-CB 4.43Å; P168-L286 HydrophobicContact CG-CD1 4Å; P168-A287 PolarHBondContact O-N 2.84Å
169R95.1Very high96.7Very high138 Ų13842.1 Ų42.152%0.52122%0.221SC..EExtended strand (participates in β ladder)trans-111.1112.2176.9-63.9-176.868.392.4-1.1109.6A167 A287 Y289A167-R169 PolarHBondContact O-N 3Å; R169-A287 WeakPolarHBondContact CA-O 3.39Å; R169-A287 HydrophobicContact CG-CB 4.35Å; R169-Y289 HydrophobicContact CB-CD1 4Å; R169-Y289 HydrophobicContact CB-CE1 3.99Å
170V96.6Very high96.7Very high13 Ų1342.1 Ų42.18%0.07922%0.221CC..EExtended strand (participates in β ladder)trans-108144-179.969.20000111.1Q174 A176 V261 L286 A287 V288 Y289V170-Q174 HydrophobicContact CG2-CB 4.26Å; V170-A176 HydrophobicContact CB-CB 4.14Å; V170-A176 HydrophobicContact CG1-CB 4.35Å; V170-A176 HydrophobicContact CG2-CB 3.98Å; V170-V261 HydrophobicContact CG1-CB 3.81Å; V170-V261 HydrophobicContact CG1-CG1 3.7Å; V170-V261 HydrophobicContact CG1-CG2 4.08Å; V170-V261 HydrophobicContact CG2-CB 4.43Å; V170-V261 HydrophobicContact CG2-CG2 4.32Å; V170-L286 HydrophobicContact CB-CD1 4.26Å; V170-L286 HydrophobicContact CG1-CD1 3.75Å; V170-L286 HydrophobicContact CG1-CG 4.44Å; V170-A287 PolarHBondContact N-O 2.81Å; V170-V288 HydrophobicContact CG1-CG2 4.1Å; V170-V288 CarbonylContact O-C 3.51Å; V170-V288 WeakPolarHBondContact O-CA 3.4Å; V170-Y289 VanDerWaalsContact O-CD1 3.29Å; V170-Y289 WeakPolarHBondContact O-CD1 3.36Å; V170-Y289 PolarHBondContact O-N 2.8Å
171R96.3Very high96.7Very high110 Ų11042.8 Ų42.842%0.41523%0.225SC..EExtended strand (participates in β ladder)trans-75.1134.1172.9179.9-177.1-62.1-98.9-6.7109.7G173 Q174 Y289R171-G173 PolarHBondContact O-N 2.03Å; R171-Q174 HydrophobicContact CB-CB 4.31Å; R171-Q174 HydrophobicContact CB-CG 3.83Å; R171-Q174 HydrophobicContact CG-CG 4.14Å; R171-Q174 VanDerWaalsContact O-CB 3.3Å; R171-Q174 WeakPolarHBondContact O-CB 3.41Å; R171-Q174 PolarHBondContact O-N 2.89Å; R171-Y289 CarbonylContact C-O 3.58Å; R171-Y289 WeakPolarHBondContact CA-O 3.19Å
172L96Very high96.7Very high18 Ų1842.8 Ų42.89%0.09423%0.225CC..THydrogen-bonded Turntrans-51127.4176.1-172160.8000111.3Q174 P263 V288 Y289 K290 Y321 D357L172-Q174 VanDerWaalsContact C-N 3.3Å; L172-P263 HydrophobicContact CD1-CG 3.77Å; L172-V288 HydrophobicContact CB-CG1 3.79Å; L172-V288 HydrophobicContact CG-CG1 4.3Å; L172-Y289 PolarHBondContact N-O 2.92Å; L172-K290 HydrophobicContact CB-CB 4.02Å; L172-K290 HydrophobicContact CB-CD 4.15Å; L172-K290 HydrophobicContact CB-CG 4.4Å; L172-K290 HydrophobicContact CD1-CD 4.2Å; L172-K290 HydrophobicContact CD2-CD 4.27Å; L172-K290 HydrophobicContact CG-CD 4.46Å; L172-Y321 HydrophobicContact CD1-CG 4.48Å; L172-D357 HydrophobicContact CD2-CB 4.3Å
173G94.6Very high96.7Very high33 Ų3342.8 Ų42.834%0.3423%0.226SC..THydrogen-bonded Turntrans81.6-0.1-179.500000114.8R171 V261R171-G173 PolarHBondContact O-N 2.03Å; G173-V261 PolarHBondContact N-O 2.75Å
174Q96.6Very high96.6Very high114 Ų11443.9 Ų43.953%0.53323%0.23SC..SBendtrans-93.4163.5169-63.5-67.4-75.400110.8V170 R171 L172 V261V170-Q174 HydrophobicContact CG2-CB 4.26Å; R171-Q174 HydrophobicContact CB-CB 4.31Å; R171-Q174 HydrophobicContact CB-CG 3.83Å; R171-Q174 HydrophobicContact CG-CG 4.14Å; R171-Q174 VanDerWaalsContact O-CB 3.3Å; R171-Q174 WeakPolarHBondContact O-CB 3.41Å; R171-Q174 PolarHBondContact O-N 2.89Å; L172-Q174 VanDerWaalsContact C-N 3.3Å; Q174-V261 PolarHBondContact O-N 3.43Å
175D97.6Very high96.5Very high75 Ų7541.9 Ų41.940%0.40122%0.221SC..PPolyproline II helixtrans-77.5141.6175-59.5-8.2000110.3W257 L258 P259 R260D175-W257 WeakPolarHBondContact OD2-CZ2 3.08Å; D175-W257 PolarHBondContact OD2-NE1 3.13Å; D175-W257 VanDerWaalsContact OD2-NE1 3.08Å; D175-L258 CarbonylContact C-O 3.55Å; D175-L258 WeakPolarHBondContact CA-O 3.49Å; D175-P259 VanDerWaalsContact OD1-CA 3.3Å; D175-P259 WeakPolarHBondContact OD1-CA 3.35Å; D175-R260 PolarHBondContact OD1-N 2.82Å
176A96.9Very high96.1Very high5 Ų540.8 Ų40.84%0.04122%0.215CC..EExtended strand (participates in β ladder)trans-100136170.700000110.3V170 L178 W257 L258 V261 L286V170-A176 HydrophobicContact CB-CB 4.14Å; V170-A176 HydrophobicContact CG1-CB 4.35Å; V170-A176 HydrophobicContact CG2-CB 3.98Å; A176-L178 HydrophobicContact CB-CD2 4.14Å; A176-W257 WeakPolarHBondContact O-CA 3.26Å; A176-L258 HydrophobicContact CB-CB 4.38Å; A176-L258 PolarHBondContact N-O 2.82Å; A176-L258 PolarHBondContact O-N 2.84Å; A176-V261 HydrophobicContact CB-CG2 3.57Å; A176-L286 HydrophobicContact CB-CD1 4.31Å
177L97.4Very high95.2Very high106 Ų10641.1 Ų41.156%0.55522%0.217SC*.EExtended strand (participates in β ladder)trans-112.4110.9167.5-72.5168.2000107.5F238 T255 F256 W257L177-F238 HydrophobicContact CD2-CE2 3.95Å; L177-T255 HydrophobicContact CD2-CG2 4.39Å; L177-F256 CarbonylContact C-O 3.49Å; L177-F256 WeakPolarHBondContact CA-O 3.29Å; L177-W257 HydrophobicContact CD2-CB 3.8Å; L177-W257 HydrophobicContact CD2-CG 4.09Å
178L97.9Very high93.8Very high0 Ų043.6 Ų43.60%023%0.227CC..EExtended strand (participates in β ladder)trans-96.5102.9178.2-45.5-175000108P168 A176 L180 W206 T255 F256 Y269 L284 L286P168-L178 HydrophobicContact CB-CD2 4.13Å; P168-L178 HydrophobicContact CG-CD2 3.6Å; A176-L178 HydrophobicContact CB-CD2 4.14Å; L178-L180 PolarHBondContact O-N 2.86Å; L178-W206 HydrophobicContact CB-CH2 3.66Å; L178-W206 HydrophobicContact CB-CZ2 4.39Å; L178-W206 HydrophobicContact CB-CZ3 4.12Å; L178-W206 HydrophobicContact CD1-CE3 4.38Å; L178-W206 HydrophobicContact CD1-CH2 4.16Å; L178-W206 HydrophobicContact CD1-CZ3 3.72Å; L178-T255 WeakPolarHBondContact O-CA 3.48Å; L178-T255 WeakPolarHBondContact O-CG2 3.31Å; L178-F256 HydrophobicContact CB-CB 4.18Å; L178-F256 HydrophobicContact CD1-CD1 3.66Å; L178-F256 HydrophobicContact CD1-CE1 4.33Å; L178-F256 HydrophobicContact CG-CB 4.48Å; L178-F256 HydrophobicContact CG-CD1 4.03Å; L178-F256 PolarHBondContact N-O 2.9Å; L178-F256 PolarHBondContact O-N 2.94Å; L178-Y269 HydrophobicContact CD1-CD1 3.71Å; L178-Y269 HydrophobicContact CD1-CE1 4.14Å; L178-Y269 HydrophobicContact CD1-CG 3.92Å; L178-L284 HydrophobicContact CB-CD2 4Å; L178-L286 HydrophobicContact CD2-CD1 3.99Å
179D97.1Very high92Very high43 Ų4345.3 Ų45.323%0.2324%0.239CC..  trans-56.6130.4-178.8177.166.1000110.7T163 H164 T165T163-D179 WeakPolarHBondContact CB-O 3.41Å; T163-D179 PolarHBondContact OG1-O 3.01Å; H164-D179 WeakPolarHBondContact CB-OD2 3.43Å; H164-D179 IonicContact CG-OD2 2.74Å; H164-D179 PolarHBondContact N-OD2 3.07Å; H164-D179 IonicContact ND1-OD2 2.82Å; H164-D179 PolarHBondContact ND1-OD2 3.02Å; T165-D179 HydrophobicContact CG2-CB 4.43Å; T165-D179 WeakPolarHBondContact OG1-CB 3.36Å
180L98.3Very high89.6Confident0 Ų047.7 Ų47.70%026%0.256CS..  trans-148.8129.5171.7-175.677.6000109.4V161 L178 L204 W206 N253 G254 T255 A271 I273 V282V161-L180 HydrophobicContact CG1-CD1 3.69Å; L178-L180 PolarHBondContact O-N 2.86Å; L180-L204 HydrophobicContact CD2-CD1 3.67Å; L180-W206 HydrophobicContact CB-CH2 4.45Å; L180-W206 HydrophobicContact CB-CZ2 3.78Å; L180-W206 HydrophobicContact CD2-CZ2 3.86Å; L180-W206 HydrophobicContact CG-CZ2 4.3Å; L180-N253 PolarHBondContact O-OD1 3.01Å; L180-G254 WeakPolarHBondContact CD2-O 3.13Å; L180-G254 PolarHBondContact O-N 2.89Å; L180-T255 PolarHBondContact N-OG1 2.93Å; L180-T255 PolarHBondContact O-N 3.37Å; L180-T255 PolarHBondContact O-OG1 2.82Å; L180-A271 HydrophobicContact CD1-CB 3.71Å; L180-A271 HydrophobicContact CD2-CB 3.75Å; L180-A271 HydrophobicContact CG-CB 4.33Å; L180-I273 HydrophobicContact CD2-CD1 4.05Å; L180-I273 HydrophobicContact CD2-CG1 4.47Å; L180-V282 HydrophobicContact CD1-CG2 3.39Å
181S97.9Very high87.1Confident16 Ų1650.4 Ų50.411%0.11228%0.28CS..EExtended strand (participates in β ladder)trans-140.7150.6179.753.50000109.5F74 L162 G252F74-S181 VanDerWaalsContact CZ-OG 3.25Å; F74-S181 WeakPolarHBondContact CZ-OG 3.32Å; L162-S181 PolarHBondContact N-O 2.82Å; L162-S181 PolarHBondContact O-N 3.22Å; L162-S181 VanDerWaalsContact O-O 3.12Å; L162-S181 PolarHBondContact O-OG 2.76Å; S181-G252 WeakPolarHBondContact CA-O 3.36Å
182F98.1Very high84.9Confident0 Ų046.7 Ų46.70%027%0.273CS..EExtended strand (participates in β ladder)trans-146.5160.4-178.166.5-81.4000111.3T160 V161 F202 W241 T251 G252 I273T160-F182 CarbonylContact O-C 3.51Å; T160-F182 WeakPolarHBondContact O-CA 3.36Å; T160-F182 VanDerWaalsContact O-CB 3.24Å; T160-F182 WeakPolarHBondContact O-CB 3.2Å; V161-F182 HydrophobicContact CG2-CB 4.19Å; F182-F202 HydrophobicContact CE1-CD2 4.28Å; F182-F202 AromaticContact CE1-CE2 3.82Å; F182-F202 HydrophobicContact CE1-CE2 3.82Å; F182-F202 HydrophobicContact CE1-CZ 4.07Å; F182-F202 HydrophobicContact CE2-CD2 4.3Å; F182-F202 HydrophobicContact CE2-CG 4.3Å; F182-F202 HydrophobicContact CZ-CD1 4.08Å; F182-F202 AromaticContact CZ-CD2 3.69Å; F182-F202 HydrophobicContact CZ-CD2 3.69Å; F182-F202 AromaticContact CZ-CE1 3.92Å; F182-F202 HydrophobicContact CZ-CE1 3.92Å; F182-F202 AromaticContact CZ-CE2 3.52Å; F182-F202 HydrophobicContact CZ-CE2 3.52Å; F182-F202 AromaticContact CZ-CG 3.95Å; F182-F202 HydrophobicContact CZ-CG 3.95Å; F182-F202 AromaticContact CZ-CZ 3.63Å; F182-F202 HydrophobicContact CZ-CZ 3.63Å; F182-W241 HydrophobicContact CD2-CH2 4.18Å; F182-W241 HydrophobicContact CD2-CZ3 4.02Å; F182-W241 HydrophobicContact CE2-CD2 4.42Å; F182-W241 AromaticContact CE2-CE3 3.91Å; F182-W241 HydrophobicContact CE2-CE3 3.91Å; F182-W241 AromaticContact CE2-CH2 3.44Å; F182-W241 HydrophobicContact CE2-CH2 3.44Å; F182-W241 VanDerWaalsContact CE2-CH2 3.44Å; F182-W241 AromaticContact CE2-CZ2 3.98Å; F182-W241 HydrophobicContact CE2-CZ2 3.98Å; F182-W241 AromaticContact CE2-CZ3 3.39Å; F182-W241 HydrophobicContact CE2-CZ3 3.39Å; F182-W241 HydrophobicContact CZ-CE3 4.24Å; F182-W241 HydrophobicContact CZ-CH2 4.36Å; F182-W241 HydrophobicContact CZ-CZ3 4.17Å; F182-T251 CarbonylContact O-C 3.52Å; F182-T251 WeakPolarHBondContact O-CA 3.33Å; F182-G252 WeakPolarHBondContact CD1-O 3.33Å; F182-G252 VanDerWaalsContact CE1-C 3.41Å; F182-G252 PolarHBondContact N-O 2.95Å; F182-G252 PolarHBondContact O-N 2.57Å; F182-I273 HydrophobicContact CB-CG1 4.15Å; F182-I273 HydrophobicContact CD1-CD1 3.77Å; F182-I273 HydrophobicContact CD1-CG1 4.02Å; F182-I273 HydrophobicContact CD2-CG2 3.95Å; F182-I273 HydrophobicContact CE1-CD1 3.97Å; F182-I273 HydrophobicContact CE2-CG2 4.16Å; F182-I273 HydrophobicContact CG-CD1 4.26Å; F182-I273 HydrophobicContact CG-CG1 4.02Å; F182-I273 HydrophobicContact CG-CG2 4.21Å
183A97.7Very high82.5Confident2 Ų250 Ų502%0.01730%0.297CS..EExtended strand (participates in β ladder)trans-140.3144.9176.900000110.3A72 F74 L159 T160 W250 T251A72-A183 HydrophobicContact CB-CB 3.75Å; F74-A183 HydrophobicContact CB-CB 3.54Å; F74-A183 HydrophobicContact CD1-CB 4.12Å; F74-A183 HydrophobicContact CD2-CB 4.07Å; F74-A183 HydrophobicContact CG-CB 3.66Å; L159-A183 WeakPolarHBondContact CA-O 3.27Å; L159-A183 WeakPolarHBondContact CD1-O 3.29Å; T160-A183 PolarHBondContact N-O 2.82Å; T160-A183 PolarHBondContact O-N 3.07Å; A183-W250 CarbonylContact C-O 3.51Å; A183-W250 VanDerWaalsContact CA-O 3.3Å; A183-W250 WeakPolarHBondContact CA-O 3.29Å; A183-T251 HydrophobicContact CB-CG2 4.02Å
184Y96.2Very high80.1Confident23 Ų2353.4 Ų53.49%0.0932%0.316CS..EExtended strand (participates in β ladder)trans-136.6129.7-177.1175.4-118.6000111.5V158 P186 P187 P200 W241 P249 W250 L275 L278V158-Y184 HydrophobicContact CG1-CD2 4.31Å; V158-Y184 HydrophobicContact CG1-CE2 3.93Å; V158-Y184 CarbonylContact O-C 3.59Å; V158-Y184 WeakPolarHBondContact O-CA 3.41Å; V158-Y184 VanDerWaalsContact O-CD2 3.32Å; V158-Y184 WeakPolarHBondContact O-CD2 3.36Å; Y184-P186 HydrophobicContact CE1-CB 4.09Å; Y184-P187 VanDerWaalsContact OH-CD 3.28Å; Y184-P187 WeakPolarHBondContact OH-CD 3.34Å; Y184-P200 HydrophobicContact CD1-CG 3.95Å; Y184-P200 HydrophobicContact CE1-CG 3.71Å; Y184-W241 HydrophobicContact CD1-CH2 4.28Å; Y184-W241 HydrophobicContact CG-CH2 4.39Å; Y184-P249 WeakPolarHBondContact O-CA 3.27Å; Y184-P249 WeakPolarHBondContact O-CB 3.37Å; Y184-W250 AromaticContact CD1-CE3 3.9Å; Y184-W250 HydrophobicContact CD1-CE3 3.9Å; Y184-W250 HydrophobicContact CD1-CZ3 4.08Å; Y184-W250 HydrophobicContact CE1-CE3 4.43Å; Y184-W250 HydrophobicContact CE1-CZ3 4.15Å; Y184-W250 PolarHBondContact N-O 2.67Å; Y184-W250 PolarHBondContact O-N 3.11Å; Y184-L275 HydrophobicContact CD1-CD1 4.26Å; Y184-L275 HydrophobicContact CD2-CD1 3.38Å; Y184-L275 HydrophobicContact CE2-CD1 3.87Å; Y184-L275 HydrophobicContact CG-CD1 3.59Å; Y184-L278 HydrophobicContact CE2-CD1 4.11Å
185M93.1Very high78.2Confident36 Ų3654.1 Ų54.118%0.17732%0.323CS..  trans-105.3117.1169.2179.366.2-152.800109.3P71 V158 T188 P249P71-M185 HydrophobicContact CB-CB 4.44Å; P71-M185 HydrophobicContact CB-CG 4.03Å; P71-M185 HydrophobicContact CB-SD 3.83Å; P71-M185 HydrophobicContact CG-CB 4.49Å; P71-M185 HydrophobicContact CG-CG 4.03Å; P71-M185 HydrophobicContact CG-SD 4.41Å; V158-M185 PolarHBondContact O-N 2.81Å; M185-T188 HydrophobicContact CE-CG2 4.08Å; M185-P249 HydrophobicContact CB-CB 4.39Å; M185-P249 HydrophobicContact SD-CB 3.83Å; M185-P249 HydrophobicContact SD-CG 4.25Å
186P86.6Confident76.3Confident30 Ų3055 Ų5520%0.19534%0.341CS..  trans-64.2142.7175.526.4-33.4000111.4Y184 T188 W247 W250Y184-P186 HydrophobicContact CE1-CB 4.09Å; P186-T188 PolarHBondContact O-N 2.91Å; P186-W247 WeakPolarHBondContact CG-O 3.31Å; P186-W250 HydrophobicContact CB-CH2 4.41Å; P186-W250 HydrophobicContact CB-CZ3 3.95Å; P186-W250 HydrophobicContact CG-CE3 4.42Å; P186-W250 HydrophobicContact CG-CH2 3.91Å; P186-W250 HydrophobicContact CG-CZ3 3.56Å
187P77.5Confident74.9Confident23 Ų2359 Ų5915%0.14937%0.373CS..  trans-59.5124.5173.6-22.831.6000111.3A118 L119 Y184 S189A118-P187 HydrophobicContact CB-CB 3.96Å; A118-P187 HydrophobicContact CB-CG 4.38Å; L119-P187 HydrophobicContact CD2-CG 4.09Å; Y184-P187 VanDerWaalsContact OH-CD 3.28Å; Y184-P187 WeakPolarHBondContact OH-CD 3.34Å; P187-S189 PolarHBondContact O-N 2.82Å
188T66.1Low74.3Confident113 Ų11354.6 Ų54.669%0.69335%0.354SS*.  trans-71.296.9173.654.10000109.5M185 P186M185-T188 HydrophobicContact CE-CG2 4.08Å; P186-T188 PolarHBondContact O-N 2.91Å
189S58.3Low74Confident53 Ų5356.2 Ų56.237%0.37136%0.364SS..  trans-128.4134.9168.7-179.10000109.1P187 A191 A192P187-S189 PolarHBondContact O-N 2.82Å; S189-A191 PolarHBondContact O-N 2.86Å; S189-A192 VanDerWaalsContact O-CB 3.28Å; S189-A192 WeakPolarHBondContact O-CB 3.3Å; S189-A192 PolarHBondContact O-N 2.87Å
190E46Very low73.8Confident188 Ų18855.6 Ų55.688%0.87936%0.362SS*.G310 helixtrans-51.3-25.6174.9-68.5-100.8144.700112.8S193E190-S193 PolarHBondContact O-OG 3.48Å
191A44Very low73.6Confident70 Ų7057.6 Ų57.658%0.57938%0.376SS*.G310 helixtrans-80.6-17.517600000114.5S189 S193 S194S189-A191 PolarHBondContact O-N 2.86Å; A191-S193 PolarHBondContact O-N 2.84Å; A191-S194 PolarHBondContact O-OG 2.63Å
192A48.2Very low73.6Confident33 Ų3356.9 Ų56.927%0.27337%0.37SS..G310 helixtrans-77.1-10.2177.200000113S189 S194 L195S189-A192 VanDerWaalsContact O-CB 3.28Å; S189-A192 WeakPolarHBondContact O-CB 3.3Å; S189-A192 PolarHBondContact O-N 2.87Å; A192-S194 PolarHBondContact O-N 2.87Å; A192-L195 HydrophobicContact CB-CD1 4.28Å; A192-L195 PolarHBondContact O-N 2.84Å; A192-L195 VanDerWaalsContact O-N 3.12Å
193S45.6Very low73.6Confident87 Ų8756.9 Ų56.961%0.60837%0.37SS*.G310 helixtrans-60.8-5.5170.961.50000114.4E190 A191E190-S193 PolarHBondContact O-OG 3.48Å; A191-S193 PolarHBondContact O-N 2.84Å
194S46.1Very low73.6Confident104 Ų10456.8 Ų56.873%0.72737%0.369SS*.G310 helixtrans-106.9-3.317866.60000114.7A191 A192A191-S194 PolarHBondContact O-OG 2.63Å; A192-S194 PolarHBondContact O-N 2.87Å
195L54.7Low73.7Confident130 Ų13056.3 Ų56.368%0.68137%0.368SS*.SBendtrans-81.4148.5176.9-78.8157.5000110.6A192 A197A192-L195 HydrophobicContact CB-CD1 4.28Å; A192-L195 PolarHBondContact O-N 2.84Å; A192-L195 VanDerWaalsContact O-N 3.12Å; L195-A197 PolarHBondContact O-N 2.97Å
196A58Low73.9Confident94 Ų9454.6 Ų54.678%0.77736%0.36SS*.PPolyproline II helixtrans-47.8134.9179.800000111.5
197A69.2Low74.3Confident88 Ų8857.3 Ų57.373%0.72737%0.366SS*.SBendtrans-60.8136.8177.100000110.6L195L195-A197 PolarHBondContact O-N 2.97Å
198G84.4Confident75.2Confident14 Ų1457.1 Ų57.114%0.14436%0.362CS..SBendtrans104.1179.6177.400000114.7P246 W250G198-P246 PolarHBondContact N-O 2.81Å; G198-W250 VanDerWaalsContact O-CZ2 3.32Å; G198-W250 WeakPolarHBondContact O-CZ2 3.36Å
199P91.8Very high76.3Confident33 Ų3355.8 Ų55.821%0.21435%0.348CS..PPolyproline II helixtrans-70.6144-172.427.9-35.6000112.5W241 W250P199-W241 HydrophobicContact CB-CB 4.38Å; P199-W241 HydrophobicContact CB-CD2 3.75Å; P199-W241 HydrophobicContact CB-CE3 4.48Å; P199-W241 HydrophobicContact CB-CG 3.67Å; P199-W241 HydrophobicContact CB-CZ2 4.35Å; P199-W241 HydrophobicContact CG-CB 4.1Å; P199-W241 HydrophobicContact CG-CD2 4.39Å; P199-W241 HydrophobicContact CG-CG 3.78Å; P199-W250 HydrophobicContact CB-CB 4.37Å; P199-W250 HydrophobicContact CB-CD2 3.7Å; P199-W250 HydrophobicContact CB-CE3 4.29Å; P199-W250 HydrophobicContact CB-CG 3.72Å; P199-W250 HydrophobicContact CB-CZ2 4.45Å
200P92.4Very high77.1Confident30 Ų3058.1 Ų58.120%0.19535%0.353CS..PPolyproline II helixtrans-70156.7178.631.3-36.3000111.1Y184 W241 L275Y184-P200 HydrophobicContact CD1-CG 3.95Å; Y184-P200 HydrophobicContact CE1-CG 3.71Å; P200-W241 HydrophobicContact CG-CZ2 4.22Å; P200-W241 WeakPolarHBondContact O-CZ2 3.36Å; P200-W241 PolarHBondContact O-NE1 2.81Å; P200-L275 HydrophobicContact CG-CD2 4.14Å
201P94.9Very high78.2Confident43 Ų4356.6 Ų56.628%0.27935%0.35SS..PPolyproline II helixtrans-58.9147166.3-19.731.2000111.5L109 P222 L224L109-P201 HydrophobicContact CD2-CB 4.13Å; P201-P222 WeakPolarHBondContact CA-O 3.28Å; P201-L224 HydrophobicContact CB-CD1 3.73Å; P201-L224 HydrophobicContact CB-CD2 4.37Å; P201-L224 HydrophobicContact CB-CG 3.54Å; P201-L224 HydrophobicContact CG-CD1 4.23Å; P201-L224 HydrophobicContact CG-CD2 4.06Å; P201-L224 HydrophobicContact CG-CG 3.77Å
202F96.9Very high79.4Confident0 Ų056.3 Ų56.30%035%0.354CS..  trans-132.2159.1176.472.2-82.6000110.1F182 L204 T221 P222 A239 W241 I273 H274 L275F182-F202 HydrophobicContact CE1-CD2 4.28Å; F182-F202 AromaticContact CE1-CE2 3.82Å; F182-F202 HydrophobicContact CE1-CE2 3.82Å; F182-F202 HydrophobicContact CE1-CZ 4.07Å; F182-F202 HydrophobicContact CE2-CD2 4.3Å; F182-F202 HydrophobicContact CE2-CG 4.3Å; F182-F202 HydrophobicContact CZ-CD1 4.08Å; F182-F202 AromaticContact CZ-CD2 3.69Å; F182-F202 HydrophobicContact CZ-CD2 3.69Å; F182-F202 AromaticContact CZ-CE1 3.92Å; F182-F202 HydrophobicContact CZ-CE1 3.92Å; F182-F202 AromaticContact CZ-CE2 3.52Å; F182-F202 HydrophobicContact CZ-CE2 3.52Å; F182-F202 AromaticContact CZ-CG 3.95Å; F182-F202 HydrophobicContact CZ-CG 3.95Å; F182-F202 AromaticContact CZ-CZ 3.63Å; F182-F202 HydrophobicContact CZ-CZ 3.63Å; F202-L204 HydrophobicContact CE2-CB 4.4Å; F202-T221 CarbonylContact O-C 3.48Å; F202-T221 WeakPolarHBondContact O-CA 3.31Å; F202-P222 HydrophobicContact CD1-CB 4.34Å; F202-P222 HydrophobicContact CE1-CB 3.73Å; F202-P222 HydrophobicContact CE1-CG 3.87Å; F202-P222 HydrophobicContact CE2-CG 4.11Å; F202-P222 HydrophobicContact CZ-CB 4.02Å; F202-P222 HydrophobicContact CZ-CG 3.62Å; F202-P222 PolarHBondContact N-O 3.11Å; F202-P222 VanDerWaalsContact O-CD 3.24Å; F202-P222 WeakPolarHBondContact O-CD 3.25Å; F202-A239 HydrophobicContact CE2-CB 4.4Å; F202-A239 HydrophobicContact CZ-CB 4.26Å; F202-W241 HydrophobicContact CB-CZ2 4.27Å; F202-W241 HydrophobicContact CD1-CD2 4.41Å; F202-W241 AromaticContact CD1-CE2 3.66Å; F202-W241 HydrophobicContact CD1-CZ2 4.02Å; F202-W241 AromaticContact CD1-NE1 3.38Å; F202-W241 AromaticContact CE1-CD1 3.96Å; F202-W241 HydrophobicContact CE1-CD2 4.47Å; F202-W241 HydrophobicContact CE1-CG 4.37Å; F202-W241 AromaticContact CE1-NE1 3.79Å; F202-W241 HydrophobicContact CG-CZ2 4.43Å; F202-I273 HydrophobicContact CD2-CD1 4.47Å; F202-I273 HydrophobicContact CD2-CG2 4.44Å; F202-H274 CarbonylContact C-O 3.55Å; F202-H274 WeakPolarHBondContact CA-O 3.42Å; F202-L275 HydrophobicContact CB-CD2 3.81Å
203G97.7Very high80.6Confident0 Ų061.8 Ų61.80%037%0.372CS..EExtended strand (participates in β ladder)trans-104.9140.7170.600000110.8A220 I273 H274G203-A220 CarbonylContact C-O 3.56Å; G203-A220 VanDerWaalsContact CA-O 3.27Å; G203-A220 WeakPolarHBondContact CA-O 3.36Å; G203-I273 CarbonylContact O-C 3.49Å; G203-I273 WeakPolarHBondContact O-CA 3.25Å; G203-H274 PolarHBondContact N-O 2.99Å; G203-H274 PolarHBondContact O-N 3.05Å
204L98.2Very high82.2Confident0 Ų059.1 Ų59.10%036%0.358CS..EExtended strand (participates in β ladder)trans-114.2133.2169.8175.966.1000108.7L180 F202 L218 A219 A220 A237 A239 I273L180-L204 HydrophobicContact CD2-CD1 3.67Å; F202-L204 HydrophobicContact CE2-CB 4.4Å; L204-L218 HydrophobicContact CD2-CD2 4.04Å; L204-L218 HydrophobicContact CG-CD2 4.41Å; L204-A219 CarbonylContact O-C 3.57Å; L204-A219 VanDerWaalsContact O-CA 3.23Å; L204-A219 WeakPolarHBondContact O-CA 3.27Å; L204-A220 PolarHBondContact N-O 2.97Å; L204-A220 PolarHBondContact O-N 2.92Å; L204-A237 HydrophobicContact CD2-CB 3.47Å; L204-A237 VanDerWaalsContact CD2-CB 3.47Å; L204-A239 HydrophobicContact CB-CB 4.42Å; L204-A239 HydrophobicContact CD2-CB 3.63Å; L204-I273 HydrophobicContact CD1-CD1 3.54Å
205E97.7Very high84.3Confident14 Ų1459 Ų597%0.06535%0.345CS..EExtended strand (participates in β ladder)trans-131.6125.9175-169.1-179.6163.200110.7W105 R207 L216 A271 T272 H274W105-E205 HydrophobicContact CH2-CB 4.22Å; W105-E205 HydrophobicContact CZ2-CB 3.87Å; W105-E205 HydrophobicContact CZ2-CG 4.05Å; E205-R207 HydrophobicContact CG-CG 4.1Å; E205-R207 WeakPolarHBondContact OE1-CD 3.43Å; E205-R207 WeakPolarHBondContact OE1-CG 3.45Å; E205-R207 IonicContact OE1-CZ 2.76Å; E205-R207 IonicContact OE1-NE 3.06Å; E205-R207 IonicContact OE1-NH1 3.53Å; E205-R207 PolarHBondContact OE1-NH1 3.13Å; E205-L216 HydrophobicContact CG-CD1 3.52Å; E205-A271 CarbonylContact O-C 3.59Å; E205-A271 WeakPolarHBondContact O-CA 3.17Å; E205-T272 PolarHBondContact N-O 2.69Å; E205-T272 PolarHBondContact O-N 3.22Å; E205-H274 IonicContact OE2-CD2 2.89Å; E205-H274 IonicContact OE2-CE1 3.95Å; E205-H274 IonicContact OE2-NE2 2.67Å; E205-H274 PolarHBondContact OE2-NE2 3.13Å
206W97.9Very high86.3Confident0 Ų054.9 Ų54.90%032%0.324CS..EExtended strand (participates in β ladder)trans-116.8126.6171.3-81.795.1000110.4L178 L180 L217 L218 G254 F256 Y269 L270 A271 L284L178-W206 HydrophobicContact CB-CH2 3.66Å; L178-W206 HydrophobicContact CB-CZ2 4.39Å; L178-W206 HydrophobicContact CB-CZ3 4.12Å; L178-W206 HydrophobicContact CD1-CE3 4.38Å; L178-W206 HydrophobicContact CD1-CH2 4.16Å; L178-W206 HydrophobicContact CD1-CZ3 3.72Å; L180-W206 HydrophobicContact CB-CH2 4.45Å; L180-W206 HydrophobicContact CB-CZ2 3.78Å; L180-W206 HydrophobicContact CD2-CZ2 3.86Å; L180-W206 HydrophobicContact CG-CZ2 4.3Å; W206-L217 PolarHBondContact O-N 3.1Å; W206-L218 HydrophobicContact CB-CB 4.3Å; W206-L218 PolarHBondContact N-O 2.97Å; W206-L218 PolarHBondContact O-N 3.29Å; W206-G254 PolarHBondContact NE1-O 2.85Å; W206-F256 HydrophobicContact CB-CD2 3.94Å; W206-F256 HydrophobicContact CB-CE2 3.95Å; W206-F256 AromaticContact CD1-CD2 3.72Å; W206-F256 HydrophobicContact CD2-CB 3.7Å; W206-F256 AromaticContact CD2-CD2 3.99Å; W206-F256 HydrophobicContact CD2-CD2 3.99Å; W206-F256 AromaticContact CD2-CG 3.87Å; W206-F256 HydrophobicContact CD2-CG 3.87Å; W206-F256 HydrophobicContact CE3-CB 4.21Å; W206-F256 HydrophobicContact CE3-CD1 4.49Å; W206-F256 HydrophobicContact CE3-CG 4.27Å; W206-F256 HydrophobicContact CG-CB 4.15Å; W206-F256 AromaticContact CG-CD2 3.6Å; W206-F256 HydrophobicContact CG-CD2 3.6Å; W206-F256 HydrophobicContact CG-CE2 4.13Å; W206-F256 HydrophobicContact CG-CG 4.01Å; W206-F256 HydrophobicContact CH2-CB 4.02Å; W206-F256 HydrophobicContact CZ2-CB 3.5Å; W206-F256 VanDerWaalsContact CZ2-CB 3.5Å; W206-F256 HydrophobicContact CZ3-CB 4.35Å; W206-Y269 HydrophobicContact CE3-CD1 4.38Å; W206-L270 WeakPolarHBondContact CA-O 3.42Å; W206-A271 HydrophobicContact CD2-CB 3.9Å; W206-A271 HydrophobicContact CE3-CB 3.87Å; W206-A271 HydrophobicContact CH2-CB 3.66Å; W206-A271 HydrophobicContact CZ2-CB 3.65Å; W206-A271 HydrophobicContact CZ3-CB 3.76Å; W206-L284 HydrophobicContact CH2-CD1 3.96Å; W206-L284 HydrophobicContact CH2-CD2 4.15Å; W206-L284 HydrophobicContact CZ3-CD1 3.96Å; W206-L284 HydrophobicContact CZ3-CD2 4.49Å
207R95.7Very high88.1Confident86 Ų8650.6 Ų50.633%0.32529%0.288SS..EExtended strand (participates in β ladder)trans-127.9149.5176.9-51.2-177.880.2104.6-4.1110.8E205 G214 H215 L216 Y269 L270E205-R207 HydrophobicContact CG-CG 4.1Å; E205-R207 WeakPolarHBondContact OE1-CD 3.43Å; E205-R207 WeakPolarHBondContact OE1-CG 3.45Å; E205-R207 IonicContact OE1-CZ 2.76Å; E205-R207 IonicContact OE1-NE 3.06Å; E205-R207 IonicContact OE1-NH1 3.53Å; E205-R207 PolarHBondContact OE1-NH1 3.13Å; R207-G214 PolarHBondContact NH2-O 3.01Å; R207-H215 CarbonylContact C-O 3.56Å; R207-H215 WeakPolarHBondContact CA-O 3.43Å; R207-L216 HydrophobicContact CG-CD1 4.19Å; R207-Y269 CarbonylContact O-C 3.57Å; R207-Y269 WeakPolarHBondContact O-CA 3.47Å; R207-L270 PolarHBondContact N-O 2.97Å; R207-L270 PolarHBondContact O-N 2.64Å
208R94.8Very high89.4Confident20 Ų2047.1 Ų47.18%0.07526%0.257CS..EExtended strand (participates in β ladder)trans-109.2123.7164.7-177.1172.468.2-127.5-0.9109.8G214 H215 L217 E233 Q265 T268 Y269R208-G214 WeakPolarHBondContact O-CA 3.36Å; R208-H215 PolarHBondContact N-O 2.81Å; R208-H215 PolarHBondContact O-N 3.24Å; R208-L217 HydrophobicContact CB-CD1 3.85Å; R208-L217 HydrophobicContact CB-CG 4.32Å; R208-E233 IonicContact CZ-OE1 2.64Å; R208-E233 IonicContact CZ-OE2 3.67Å; R208-E233 IonicContact NH1-OE1 3.31Å; R208-E233 PolarHBondContact NH1-OE1 3.35Å; R208-E233 IonicContact NH1-OE2 3.3Å; R208-E233 PolarHBondContact NH1-OE2 3.22Å; R208-E233 IonicContact NH2-OE1 3.13Å; R208-E233 PolarHBondContact NH2-OE1 3.33Å; R208-E233 IonicContact NH2-OE2 3.82Å; R208-Q265 WeakPolarHBondContact CD-O 3.37Å; R208-T268 WeakPolarHBondContact CA-O 3.5Å; R208-Y269 HydrophobicContact CB-CD1 4.4Å; R208-Y269 HydrophobicContact CB-CE1 4.22Å; R208-Y269 WeakPolarHBondContact CD-OH 3.47Å; R208-Y269 HydrophobicContact CG-CD2 4.45Å; R208-Y269 HydrophobicContact CG-CE2 4.08Å; R208-Y269 PolarHBondContact NH1-OH 3.06Å
209Q89.4Confident90Very high85 Ų8546.9 Ų46.940%0.39725%0.254SS..EExtended strand (participates in β ladder)trans-93.4121.2174.7-173173.26.400109.5T268 L270Q209-T268 PolarHBondContact N-O 3.35Å; Q209-L270 HydrophobicContact CB-CD1 3.58Å
210H76Confident90.3Very high102 Ų10246.5 Ų46.547%0.47225%0.254SS..EExtended strand (participates in β ladder)trans-136.7126.5175.2-173.274.1000109G212 K213H210-G212 PolarHBondContact O-N 3.43Å; H210-K213 PolarHBondContact N-O 3.36Å; H210-K213 PolarHBondContact O-N 2.79Å
211L69.3Low90.5Very high156 Ų15645.6 Ų45.682%0.81725%0.247SC*.THydrogen-bonded Turntrans51.441.2-179.3-59.3169.9000113.4K213L211-K213 PolarHBondContact O-N 2.88Å
212G68.7Low90.5Very high64 Ų6445.2 Ų45.266%0.6625%0.245SC*.THydrogen-bonded Turntrans76.5-1.7-179.700000115.5H210H210-G212 PolarHBondContact O-N 3.43Å
213K72.8Confident90.2Very high148 Ų14848.7 Ų48.764%0.64328%0.281SS*.EExtended strand (participates in β ladder)trans-104117.6175.1-64.6-177.4-177.81790110.5H210 L211 H215H210-K213 PolarHBondContact N-O 3.36Å; H210-K213 PolarHBondContact O-N 2.79Å; L211-K213 PolarHBondContact O-N 2.88Å; K213-H215 PolarHBondContact O-ND1 3.29Å
214G80.2Confident89.9Confident30 Ų3051.6 Ų51.631%0.30930%0.296SS..EExtended strand (participates in β ladder)trans-87.9111174.500000111.5R207 R208R207-G214 PolarHBondContact NH2-O 3.01Å; R208-G214 WeakPolarHBondContact O-CA 3.36Å
215H90.5Very high89.5Confident102 Ų10260.1 Ų60.147%0.47234%0.341SS..EExtended strand (participates in β ladder)trans-91.6127.1175.2-60.581.1000109.5R207 R208 K213 L217R207-H215 CarbonylContact C-O 3.56Å; R207-H215 WeakPolarHBondContact CA-O 3.43Å; R208-H215 PolarHBondContact N-O 2.81Å; R208-H215 PolarHBondContact O-N 3.24Å; K213-H215 PolarHBondContact O-ND1 3.29Å; H215-L217 PolarHBondContact O-N 2.93Å
216L94.8Very high88.9Confident44 Ų4461.7 Ų61.723%0.2336%0.361CS..EExtended strand (participates in β ladder)trans-70.8124174.4-179.168.3000109.2E205 R207 A219 P229 Q232E205-L216 HydrophobicContact CG-CD1 3.52Å; R207-L216 HydrophobicContact CG-CD1 4.19Å; L216-A219 HydrophobicContact CD1-CB 4.28Å; L216-A219 HydrophobicContact CD2-CB 4.2Å; L216-P229 HydrophobicContact CD2-CB 3.62Å; L216-P229 HydrophobicContact CD2-CG 3.75Å; L216-Q232 WeakPolarHBondContact O-CG 3.33Å
217L96.4Very high88.4Confident3 Ų370 Ų702%0.01640%0.4CS..EExtended strand (participates in β ladder)trans-99.3-41.2178.2-64.3-180000111.9W206 R208 H215 A231 Q232 F256 Y269W206-L217 PolarHBondContact O-N 3.1Å; R208-L217 HydrophobicContact CB-CD1 3.85Å; R208-L217 HydrophobicContact CB-CG 4.32Å; H215-L217 PolarHBondContact O-N 2.93Å; L217-A231 CarbonylContact O-C 3.58Å; L217-A231 WeakPolarHBondContact O-CA 3.47Å; L217-Q232 HydrophobicContact CD2-CB 4.08Å; L217-Q232 PolarHBondContact O-N 2.84Å; L217-F256 HydrophobicContact CB-CE2 4.26Å; L217-F256 HydrophobicContact CB-CZ 3.96Å; L217-F256 HydrophobicContact CD1-CE1 4.26Å; L217-F256 HydrophobicContact CD1-CZ 3.87Å; L217-Y269 HydrophobicContact CD1-CD1 3.96Å; L217-Y269 HydrophobicContact CD1-CE1 3.41Å; L217-Y269 VanDerWaalsContact CD1-CE1 3.41Å
218L97.5Very high88.3Confident15 Ų1568.1 Ų68.18%0.07940%0.396CS..EExtended strand (participates in β ladder)trans-151.1140.2-179.5-176.7148.7000110.1L204 W206 A220 V236 A237 F256L204-L218 HydrophobicContact CD2-CD2 4.04Å; L204-L218 HydrophobicContact CG-CD2 4.41Å; W206-L218 HydrophobicContact CB-CB 4.3Å; W206-L218 PolarHBondContact N-O 2.97Å; W206-L218 PolarHBondContact O-N 3.29Å; L218-A220 HydrophobicContact CD2-CB 4.42Å; L218-V236 VanDerWaalsContact CD1-C 3.44Å; L218-A237 HydrophobicContact CD1-CB 3.83Å; L218-A237 HydrophobicContact CD2-CB 3.77Å; L218-A237 HydrophobicContact CG-CB 4.49Å; L218-F256 HydrophobicContact CB-CD2 4.42Å; L218-F256 HydrophobicContact CB-CE2 3.89Å; L218-F256 HydrophobicContact CD1-CD2 4.48Å; L218-F256 HydrophobicContact CD1-CE2 4.36Å
219A97.4Very high88.3Confident10 Ų1069.3 Ų69.38%0.08341%0.406CS..EExtended strand (participates in β ladder)trans-137.9139.7168.700000109.8W105 L204 L216 P229W105-A219 HydrophobicContact CD2-CB 4Å; W105-A219 HydrophobicContact CE3-CB 4.28Å; W105-A219 HydrophobicContact CH2-CB 4.29Å; W105-A219 HydrophobicContact CZ2-CB 4.01Å; W105-A219 HydrophobicContact CZ3-CB 4.41Å; L204-A219 CarbonylContact O-C 3.57Å; L204-A219 VanDerWaalsContact O-CA 3.23Å; L204-A219 WeakPolarHBondContact O-CA 3.27Å; L216-A219 HydrophobicContact CD1-CB 4.28Å; L216-A219 HydrophobicContact CD2-CB 4.2Å; A219-P229 HydrophobicContact CB-CG 4.05Å
220A96.8Very high88.6Confident25 Ų2569 Ų6921%0.20742%0.418CS..EExtended strand (participates in β ladder)trans-148154.7178.800000110.8G203 L204 L218G203-A220 CarbonylContact C-O 3.56Å; G203-A220 VanDerWaalsContact CA-O 3.27Å; G203-A220 WeakPolarHBondContact CA-O 3.36Å; L204-A220 PolarHBondContact N-O 2.97Å; L204-A220 PolarHBondContact O-N 2.92Å; L218-A220 HydrophobicContact CD2-CB 4.42Å
221T96.5Very high89.5Confident11 Ų1166.8 Ų66.87%0.06742%0.417CS..  trans-130.472.7172.445.20000111.7W105 F202 G223 L224 M228W105-T221 HydrophobicContact CE3-CG2 3.8Å; W105-T221 HydrophobicContact CZ3-CG2 3.58Å; F202-T221 CarbonylContact O-C 3.48Å; F202-T221 WeakPolarHBondContact O-CA 3.31Å; T221-G223 PolarHBondContact O-N 2.69Å; T221-L224 PolarHBondContact O-N 2.99Å; T221-M228 HydrophobicContact CG2-CE 4.05Å; T221-M228 HydrophobicContact CG2-SD 4.06Å; T221-M228 WeakPolarHBondContact OG1-CE 3.33Å; T221-M228 PolarHBondContact OG1-SD 3.48Å
222P95.2Very high90.7Very high35 Ų3563.8 Ų63.823%0.22740%0.399CS..THydrogen-bonded Turntrans-54.2135.5178.7-25.136.1000112P201 F202 L224 A239P201-P222 WeakPolarHBondContact CA-O 3.28Å; F202-P222 HydrophobicContact CD1-CB 4.34Å; F202-P222 HydrophobicContact CE1-CB 3.73Å; F202-P222 HydrophobicContact CE1-CG 3.87Å; F202-P222 HydrophobicContact CE2-CG 4.11Å; F202-P222 HydrophobicContact CZ-CB 4.02Å; F202-P222 HydrophobicContact CZ-CG 3.62Å; F202-P222 PolarHBondContact N-O 3.11Å; F202-P222 VanDerWaalsContact O-CD 3.24Å; F202-P222 WeakPolarHBondContact O-CD 3.25Å; P222-L224 VanDerWaalsContact C-N 3.32Å; P222-A239 HydrophobicContact CG-CB 3.74Å; P222-A239 WeakPolarHBondContact CG-O 3.28Å
223G90.1Very high91.9Very high73 Ų7363.8 Ų63.875%0.75338%0.382SS*.THydrogen-bonded Turntrans86.7-6.3-174.100000114.8T221T221-G223 PolarHBondContact O-N 2.69Å
224L92.3Very high93Very high61 Ų6159.1 Ų59.132%0.31938%0.376SS..SBendtrans-125.6138.3171.4-71.2170.2000111.3G108 L109 P201 T221 P222G108-L224 WeakPolarHBondContact O-CD1 3.11Å; L109-L224 HydrophobicContact CD2-CD1 3.73Å; L109-L224 HydrophobicContact CG-CD1 4.35Å; P201-L224 HydrophobicContact CB-CD1 3.73Å; P201-L224 HydrophobicContact CB-CD2 4.37Å; P201-L224 HydrophobicContact CB-CG 3.54Å; P201-L224 HydrophobicContact CG-CD1 4.23Å; P201-L224 HydrophobicContact CG-CD2 4.06Å; P201-L224 HydrophobicContact CG-CG 3.77Å; T221-L224 PolarHBondContact O-N 2.99Å; P222-L224 VanDerWaalsContact C-N 3.32Å
225N89.1Confident93.7Very high178 Ų17857.9 Ų57.995%0.95236%0.363SS*.  trans-86.7117.5167.7-66.6-37.9000108.2
226G84.4Confident94.1Very high47 Ų4756 Ų5649%0.48536%0.359SS..  trans-157.7159-179.600000112.1M228G226-M228 PolarHBondContact O-N 3.19Å
227Q89Confident94.2Very high175 Ų17555.2 Ų55.282%0.81836%0.358SS*.  trans-72.9109.5176.3-17565.119.400109.8
228M94.1Very high94.3Very high46 Ų4660.5 Ų60.523%0.22738%0.381CS..PPolyproline II helixtrans-93.7147.6179-64.4-61.710600111.7W105 T221 G226W105-M228 HydrophobicContact CB-CE 4.42Å; W105-M228 HydrophobicContact CE3-CE 4.38Å; W105-M228 HydrophobicContact CE3-SD 3.92Å; T221-M228 HydrophobicContact CG2-CE 4.05Å; T221-M228 HydrophobicContact CG2-SD 4.06Å; T221-M228 WeakPolarHBondContact OG1-CE 3.33Å; T221-M228 PolarHBondContact OG1-SD 3.48Å; G226-M228 PolarHBondContact O-N 3.19Å
229P94.4Very high94.2Very high45 Ų4560.9 Ų60.929%0.29239%0.387SS..PPolyproline II helixtrans-54.5144.3166.2-25.134.4000111.8W105 L216 A219 A231W105-P229 HydrophobicContact CB-CG 4.12Å; W105-P229 HydrophobicContact CG-CG 3.99Å; L216-P229 HydrophobicContact CD2-CB 3.62Å; L216-P229 HydrophobicContact CD2-CG 3.75Å; A219-P229 HydrophobicContact CB-CG 4.05Å; P229-A231 PolarHBondContact O-N 2.94Å
230A94.4Very high94.2Very high79 Ų7962.7 Ų62.765%0.65340%0.402SS*.PPolyproline II helixtrans-66.7130.1178.100000111.1Q232A230-Q232 PolarHBondContact O-NE2 3.06Å; A230-Q232 VanDerWaalsContact O-NE2 3.08Å
231A95.8Very high94.3Very high55 Ų5563.5 Ų63.546%0.45540%0.4SS..PPolyproline II helixtrans-60.7139.2173.800000110.9L217 P229L217-A231 CarbonylContact O-C 3.58Å; L217-A231 WeakPolarHBondContact O-CA 3.47Å; P229-A231 PolarHBondContact O-N 2.94Å
232Q95Very high94.2Very high94 Ų9467.7 Ų67.744%0.43942%0.422SS..SBendtrans-100.4155.7179.5-58-60-47.300110.6L216 L217 A230 G234 A235L216-Q232 WeakPolarHBondContact O-CG 3.33Å; L217-Q232 HydrophobicContact CD2-CB 4.08Å; L217-Q232 PolarHBondContact O-N 2.84Å; A230-Q232 PolarHBondContact O-NE2 3.06Å; A230-Q232 VanDerWaalsContact O-NE2 3.08Å; Q232-G234 PolarHBondContact O-N 3.47Å; Q232-A235 WeakPolarHBondContact O-CB 3.31Å; Q232-A235 PolarHBondContact O-N 3.48Å
233E94.1Very high94Very high63 Ų6368.6 Ų68.629%0.29442%0.424SS..THydrogen-bonded Turntrans58.421.6170.7-57.5176.3-174.200114.5R208 A235 L258 Q265R208-E233 IonicContact CZ-OE1 2.64Å; R208-E233 IonicContact CZ-OE2 3.67Å; R208-E233 IonicContact NH1-OE1 3.31Å; R208-E233 PolarHBondContact NH1-OE1 3.35Å; R208-E233 IonicContact NH1-OE2 3.3Å; R208-E233 PolarHBondContact NH1-OE2 3.22Å; R208-E233 IonicContact NH2-OE1 3.13Å; R208-E233 PolarHBondContact NH2-OE1 3.33Å; R208-E233 IonicContact NH2-OE2 3.82Å; E233-A235 PolarHBondContact O-N 3.43Å; E233-L258 HydrophobicContact CB-CD1 4.01Å; E233-Q265 WeakPolarHBondContact OE2-CG 3.42Å; E233-Q265 PolarHBondContact OE2-NE2 2.9Å
234G94.4Very high94Very high51 Ų5171.5 Ų71.553%0.52642%0.423SS..THydrogen-bonded Turntrans67.616.3-17700000113.9Q232Q232-G234 PolarHBondContact O-N 3.47Å
235A96.4Very high93.9Very high4 Ų474.1 Ų74.13%0.03343%0.434CS..  trans-69.8146.4-177.200000112.4Q232 E233 F256 W257 L258Q232-A235 WeakPolarHBondContact O-CB 3.31Å; Q232-A235 PolarHBondContact O-N 3.48Å; E233-A235 PolarHBondContact O-N 3.43Å; A235-F256 HydrophobicContact CB-CD2 4.41Å; A235-F256 HydrophobicContact CB-CE1 4.26Å; A235-F256 HydrophobicContact CB-CE2 3.4Å; A235-F256 HydrophobicContact CB-CZ 3.3Å; A235-W257 WeakPolarHBondContact CA-O 3.43Å; A235-L258 HydrophobicContact CB-CD1 4.02Å
236V97.4Very high93.7Very high63 Ų6368.6 Ų68.638%0.38241%0.407SS..EExtended strand (participates in β ladder)trans-133.5167.3171.7-42.90000109.7L218 W257L218-V236 VanDerWaalsContact CD1-C 3.44Å; V236-W257 HydrophobicContact CB-CE3 4.18Å; V236-W257 HydrophobicContact CG1-CE3 4Å; V236-W257 HydrophobicContact CG1-CZ3 4.12Å; V236-W257 HydrophobicContact CG2-CB 4.08Å; V236-W257 HydrophobicContact CG2-CD2 4.18Å; V236-W257 HydrophobicContact CG2-CE3 3.4Å; V236-W257 VanDerWaalsContact CG2-CE3 3.4Å; V236-W257 HydrophobicContact CG2-CZ3 4.14Å; V236-W257 PolarHBondContact N-O 3.31Å; V236-W257 PolarHBondContact O-N 2.89Å
237A97.6Very high93.6Very high27 Ų2774.8 Ų74.822%0.22342%0.416CS..EExtended strand (participates in β ladder)trans-136.8145.8176.200000111.3L204 L218 A239 T255L204-A237 HydrophobicContact CD2-CB 3.47Å; L204-A237 VanDerWaalsContact CD2-CB 3.47Å; L218-A237 HydrophobicContact CD1-CB 3.83Å; L218-A237 HydrophobicContact CD2-CB 3.77Å; L218-A237 HydrophobicContact CG-CB 4.49Å; A237-A239 VanDerWaalsContact C-N 3.28Å; A237-A239 PolarHBondContact O-N 2.78Å; A237-T255 CarbonylContact C-O 3.59Å; A237-T255 VanDerWaalsContact CA-O 3.27Å; A237-T255 WeakPolarHBondContact CA-O 3.35Å
238F97.4Very high93.5Very high113 Ų11367.6 Ų67.650%0.49639%0.389SS..EExtended strand (participates in β ladder)trans-87.572.3171.2-57-75.5000108.8L177 N253 G254 T255 W257L177-F238 HydrophobicContact CD2-CE2 3.95Å; F238-N253 CarbonylContact O-C 3.57Å; F238-G254 PolarHBondContact O-N 3.08Å; F238-T255 HydrophobicContact CD2-CG2 4.2Å; F238-T255 PolarHBondContact N-O 3.48Å; F238-W257 HydrophobicContact CE2-CB 4.26Å
239A97.1Very high93.4Very high23 Ų2367.8 Ų67.819%0.1939%0.394CS..EExtended strand (participates in β ladder)trans-95.698.9-175.200000111F202 L204 P222 A237 N253F202-A239 HydrophobicContact CE2-CB 4.4Å; F202-A239 HydrophobicContact CZ-CB 4.26Å; L204-A239 HydrophobicContact CB-CB 4.42Å; L204-A239 HydrophobicContact CD2-CB 3.63Å; P222-A239 HydrophobicContact CG-CB 3.74Å; P222-A239 WeakPolarHBondContact CG-O 3.28Å; A237-A239 VanDerWaalsContact C-N 3.28Å; A237-A239 PolarHBondContact O-N 2.78Å; A239-N253 VanDerWaalsContact CA-O 3.31Å; A239-N253 WeakPolarHBondContact CA-O 3.41Å
240A97.4Very high93.4Very high49 Ų4966.2 Ų66.241%0.40538%0.382SS..EExtended strand (participates in β ladder)trans-156.1160177.500000111.8G252 N253A240-G252 CarbonylContact O-C 3.55Å; A240-G252 VanDerWaalsContact O-CA 3.22Å; A240-G252 WeakPolarHBondContact O-CA 3.28Å; A240-N253 PolarHBondContact N-O 3.35Å; A240-N253 VanDerWaalsContact N-O 3.12Å; A240-N253 PolarHBondContact O-N 2.83Å
241W97.1Very high93.6Very high41 Ų4164.2 Ų64.216%0.15536%0.362CS..EExtended strand (participates in β ladder)trans-75147.9160.6-64.1109.9000109.6F182 Y184 P199 P200 F202 W250 L275F182-W241 HydrophobicContact CD2-CH2 4.18Å; F182-W241 HydrophobicContact CD2-CZ3 4.02Å; F182-W241 HydrophobicContact CE2-CD2 4.42Å; F182-W241 AromaticContact CE2-CE3 3.91Å; F182-W241 HydrophobicContact CE2-CE3 3.91Å; F182-W241 AromaticContact CE2-CH2 3.44Å; F182-W241 HydrophobicContact CE2-CH2 3.44Å; F182-W241 VanDerWaalsContact CE2-CH2 3.44Å; F182-W241 AromaticContact CE2-CZ2 3.98Å; F182-W241 HydrophobicContact CE2-CZ2 3.98Å; F182-W241 AromaticContact CE2-CZ3 3.39Å; F182-W241 HydrophobicContact CE2-CZ3 3.39Å; F182-W241 HydrophobicContact CZ-CE3 4.24Å; F182-W241 HydrophobicContact CZ-CH2 4.36Å; F182-W241 HydrophobicContact CZ-CZ3 4.17Å; Y184-W241 HydrophobicContact CD1-CH2 4.28Å; Y184-W241 HydrophobicContact CG-CH2 4.39Å; P199-W241 HydrophobicContact CB-CB 4.38Å; P199-W241 HydrophobicContact CB-CD2 3.75Å; P199-W241 HydrophobicContact CB-CE3 4.48Å; P199-W241 HydrophobicContact CB-CG 3.67Å; P199-W241 HydrophobicContact CB-CZ2 4.35Å; P199-W241 HydrophobicContact CG-CB 4.1Å; P199-W241 HydrophobicContact CG-CD2 4.39Å; P199-W241 HydrophobicContact CG-CG 3.78Å; P200-W241 HydrophobicContact CG-CZ2 4.22Å; P200-W241 WeakPolarHBondContact O-CZ2 3.36Å; P200-W241 PolarHBondContact O-NE1 2.81Å; F202-W241 HydrophobicContact CB-CZ2 4.27Å; F202-W241 HydrophobicContact CD1-CD2 4.41Å; F202-W241 AromaticContact CD1-CE2 3.66Å; F202-W241 HydrophobicContact CD1-CZ2 4.02Å; F202-W241 AromaticContact CD1-NE1 3.38Å; F202-W241 AromaticContact CE1-CD1 3.96Å; F202-W241 HydrophobicContact CE1-CD2 4.47Å; F202-W241 HydrophobicContact CE1-CG 4.37Å; F202-W241 AromaticContact CE1-NE1 3.79Å; F202-W241 HydrophobicContact CG-CZ2 4.43Å; W241-W250 HydrophobicContact CD2-CB 4.3Å; W241-W250 HydrophobicContact CE3-CB 3.51Å; W241-W250 HydrophobicContact CE3-CG 4.5Å; W241-W250 HydrophobicContact CH2-CB 4.39Å; W241-W250 HydrophobicContact CZ3-CB 3.56Å; W241-L275 HydrophobicContact CH2-CD2 4.44Å; W241-L275 HydrophobicContact CZ2-CD2 4.2Å
242D95.7Very high93.6Very high100 Ų10061.7 Ų61.754%0.53534%0.341SS..SBendtrans-77.6-30.2-179.3-64-34.8000111.9T251D242-T251 WeakPolarHBondContact CB-O 3.34Å; D242-T251 PolarHBondContact N-O 3.42Å; D242-T251 VanDerWaalsContact OD2-CB 3.29Å; D242-T251 WeakPolarHBondContact OD2-CB 3.39Å; D242-T251 PolarHBondContact OD2-OG1 2.9Å
243D91.2Very high93.7Very high53 Ų5359.8 Ų59.828%0.28333%0.334SS..  trans-142.8166179.166.278.7000111.6E245D243-E245 HydrophobicContact CB-CG 4.38Å; D243-E245 WeakPolarHBondContact OD1-CB 3.47Å; D243-E245 VanDerWaalsContact OD1-CG 3.28Å; D243-E245 WeakPolarHBondContact OD1-CG 3.22Å; D243-E245 PolarHBondContact OD1-N 2.94Å; D243-E245 VanDerWaalsContact OD1-N 3.13Å
244D90.5Very high93.9Very high135 Ų13556.8 Ų56.872%0.72232%0.32SS*.  trans-115.131.5178.664.6-22.8000112.5
245E88.4Confident94.1Very high116 Ų11655 Ų5554%0.54230%0.299SS..  trans-55.7142.3-177-74-65150.700111.6D243 W247 W250D243-E245 HydrophobicContact CB-CG 4.38Å; D243-E245 WeakPolarHBondContact OD1-CB 3.47Å; D243-E245 VanDerWaalsContact OD1-CG 3.28Å; D243-E245 WeakPolarHBondContact OD1-CG 3.22Å; D243-E245 PolarHBondContact OD1-N 2.94Å; D243-E245 VanDerWaalsContact OD1-N 3.13Å; E245-W247 VanDerWaalsContact C-N 3.32Å; E245-W247 PolarHBondContact O-N 3.25Å; E245-W250 WeakPolarHBondContact O-CZ2 3.18Å; E245-W250 PolarHBondContact O-NE1 3.33Å
246P85.7Confident94.2Very high61 Ų6154.9 Ų54.940%0.39630%0.298SS..SBendtrans-65.2-29.8-166.8-25.735000115.5G198G198-P246 PolarHBondContact N-O 2.81Å
247W82.6Confident94.2Very high177 Ų17755.6 Ų55.667%0.6729%0.293SS*.SBendtrans-124.8-2.8-167.1-57110.1000114.8P186 E245P186-W247 WeakPolarHBondContact CG-O 3.31Å; E245-W247 VanDerWaalsContact C-N 3.32Å; E245-W247 PolarHBondContact O-N 3.25Å
248G85.9Confident94.2Very high25 Ų2554.3 Ų54.326%0.25828%0.283SS..  trans64.3-171.6-174.300000113.8W250G248-W250 VanDerWaalsContact CA-CE2 3.46Å; G248-W250 VanDerWaalsContact N-CZ2 3.27Å
249P92.8Very high94.2Very high49 Ų4950 Ų5032%0.31827%0.266SS..  cis-64.1155.6-0.128.6-35.2000112.5A72 Y184 M185A72-P249 HydrophobicContact CB-CB 3.83Å; A72-P249 HydrophobicContact CB-CG 4.23Å; Y184-P249 WeakPolarHBondContact O-CA 3.27Å; Y184-P249 WeakPolarHBondContact O-CB 3.37Å; M185-P249 HydrophobicContact CB-CB 4.39Å; M185-P249 HydrophobicContact SD-CB 3.83Å; M185-P249 HydrophobicContact SD-CG 4.25Å
250W95.1Very high94.1Very high12 Ų1257.5 Ų57.55%0.04529%0.29CS..EExtended strand (participates in β ladder)trans-114.4148179.1-57.8-79.2000111.2A183 Y184 P186 G198 P199 W241 E245 G248A183-W250 CarbonylContact C-O 3.51Å; A183-W250 VanDerWaalsContact CA-O 3.3Å; A183-W250 WeakPolarHBondContact CA-O 3.29Å; Y184-W250 AromaticContact CD1-CE3 3.9Å; Y184-W250 HydrophobicContact CD1-CE3 3.9Å; Y184-W250 HydrophobicContact CD1-CZ3 4.08Å; Y184-W250 HydrophobicContact CE1-CE3 4.43Å; Y184-W250 HydrophobicContact CE1-CZ3 4.15Å; Y184-W250 PolarHBondContact N-O 2.67Å; Y184-W250 PolarHBondContact O-N 3.11Å; P186-W250 HydrophobicContact CB-CH2 4.41Å; P186-W250 HydrophobicContact CB-CZ3 3.95Å; P186-W250 HydrophobicContact CG-CE3 4.42Å; P186-W250 HydrophobicContact CG-CH2 3.91Å; P186-W250 HydrophobicContact CG-CZ3 3.56Å; G198-W250 VanDerWaalsContact O-CZ2 3.32Å; G198-W250 WeakPolarHBondContact O-CZ2 3.36Å; P199-W250 HydrophobicContact CB-CB 4.37Å; P199-W250 HydrophobicContact CB-CD2 3.7Å; P199-W250 HydrophobicContact CB-CE3 4.29Å; P199-W250 HydrophobicContact CB-CG 3.72Å; P199-W250 HydrophobicContact CB-CZ2 4.45Å; W241-W250 HydrophobicContact CD2-CB 4.3Å; W241-W250 HydrophobicContact CE3-CB 3.51Å; W241-W250 HydrophobicContact CE3-CG 4.5Å; W241-W250 HydrophobicContact CH2-CB 4.39Å; W241-W250 HydrophobicContact CZ3-CB 3.56Å; E245-W250 WeakPolarHBondContact O-CZ2 3.18Å; E245-W250 PolarHBondContact O-NE1 3.33Å; G248-W250 VanDerWaalsContact CA-CE2 3.46Å; G248-W250 VanDerWaalsContact N-CZ2 3.27Å
251T96.9Very high94Very high37 Ų3755.1 Ų55.123%0.22727%0.27CS..EExtended strand (participates in β ladder)trans-111.5152.2167.361.90000110.3F74 F182 A183 D242F74-T251 HydrophobicContact CD2-CG2 4.15Å; F74-T251 HydrophobicContact CE2-CG2 4.49Å; F182-T251 CarbonylContact O-C 3.52Å; F182-T251 WeakPolarHBondContact O-CA 3.33Å; A183-T251 HydrophobicContact CB-CG2 4.02Å; D242-T251 WeakPolarHBondContact CB-O 3.34Å; D242-T251 PolarHBondContact N-O 3.42Å; D242-T251 VanDerWaalsContact OD2-CB 3.29Å; D242-T251 WeakPolarHBondContact OD2-CB 3.39Å; D242-T251 PolarHBondContact OD2-OG1 2.9Å
252G97Very high93.8Very high2 Ų257 Ų572%0.02128%0.281CS..EExtended strand (participates in β ladder)trans-148.1163.7-179.800000112.9S181 F182 A240S181-G252 WeakPolarHBondContact CA-O 3.36Å; F182-G252 WeakPolarHBondContact CD1-O 3.33Å; F182-G252 VanDerWaalsContact CE1-C 3.41Å; F182-G252 PolarHBondContact N-O 2.95Å; F182-G252 PolarHBondContact O-N 2.57Å; A240-G252 CarbonylContact O-C 3.55Å; A240-G252 VanDerWaalsContact O-CA 3.22Å; A240-G252 WeakPolarHBondContact O-CA 3.28Å
253N97.6Very high93.7Very high54 Ų5453.3 Ų53.329%0.28926%0.262SS..EExtended strand (participates in β ladder)trans-112.6144.6179.4-162.2-27.6000109.7L180 F238 A239 A240 T255L180-N253 PolarHBondContact O-OD1 3.01Å; F238-N253 CarbonylContact O-C 3.57Å; A239-N253 VanDerWaalsContact CA-O 3.31Å; A239-N253 WeakPolarHBondContact CA-O 3.41Å; A240-N253 PolarHBondContact N-O 3.35Å; A240-N253 VanDerWaalsContact N-O 3.12Å; A240-N253 PolarHBondContact O-N 2.83Å; N253-T255 WeakPolarHBondContact OD1-CB 3.25Å; N253-T255 PolarHBondContact OD1-N 3.39Å; N253-T255 PolarHBondContact OD1-OG1 2.93Å
254G97.6Very high93.6Very high0 Ų056.5 Ų56.50%027%0.274CS..EExtended strand (participates in β ladder)trans-141.224.3171.600000112.8L180 W206 F238 F256L180-G254 WeakPolarHBondContact CD2-O 3.13Å; L180-G254 PolarHBondContact O-N 2.89Å; W206-G254 PolarHBondContact NE1-O 2.85Å; F238-G254 PolarHBondContact O-N 3.08Å; G254-F256 PolarHBondContact O-N 2.95Å
255T98.4Very high93.7Very high15 Ų1550.4 Ų50.49%0.09224%0.241CC..EExtended strand (participates in β ladder)trans-54.3132.5-176.5-66.80000110.8L177 L178 L180 A237 F238 N253L177-T255 HydrophobicContact CD2-CG2 4.39Å; L178-T255 WeakPolarHBondContact O-CA 3.48Å; L178-T255 WeakPolarHBondContact O-CG2 3.31Å; L180-T255 PolarHBondContact N-OG1 2.93Å; L180-T255 PolarHBondContact O-N 3.37Å; L180-T255 PolarHBondContact O-OG1 2.82Å; A237-T255 CarbonylContact C-O 3.59Å; A237-T255 VanDerWaalsContact CA-O 3.27Å; A237-T255 WeakPolarHBondContact CA-O 3.35Å; F238-T255 HydrophobicContact CD2-CG2 4.2Å; F238-T255 PolarHBondContact N-O 3.48Å; N253-T255 WeakPolarHBondContact OD1-CB 3.25Å; N253-T255 PolarHBondContact OD1-N 3.39Å; N253-T255 PolarHBondContact OD1-OG1 2.93Å
256F98.3Very high93.9Very high0 Ų047.3 Ų47.30%023%0.227CC..EExtended strand (participates in β ladder)trans-100132.5-176.4-178.6-106.2000111.6L177 L178 W206 L217 L218 A235 G254 L258 Y269L177-F256 CarbonylContact C-O 3.49Å; L177-F256 WeakPolarHBondContact CA-O 3.29Å; L178-F256 HydrophobicContact CB-CB 4.18Å; L178-F256 HydrophobicContact CD1-CD1 3.66Å; L178-F256 HydrophobicContact CD1-CE1 4.33Å; L178-F256 HydrophobicContact CG-CB 4.48Å; L178-F256 HydrophobicContact CG-CD1 4.03Å; L178-F256 PolarHBondContact N-O 2.9Å; L178-F256 PolarHBondContact O-N 2.94Å; W206-F256 HydrophobicContact CB-CD2 3.94Å; W206-F256 HydrophobicContact CB-CE2 3.95Å; W206-F256 AromaticContact CD1-CD2 3.72Å; W206-F256 HydrophobicContact CD2-CB 3.7Å; W206-F256 AromaticContact CD2-CD2 3.99Å; W206-F256 HydrophobicContact CD2-CD2 3.99Å; W206-F256 AromaticContact CD2-CG 3.87Å; W206-F256 HydrophobicContact CD2-CG 3.87Å; W206-F256 HydrophobicContact CE3-CB 4.21Å; W206-F256 HydrophobicContact CE3-CD1 4.49Å; W206-F256 HydrophobicContact CE3-CG 4.27Å; W206-F256 HydrophobicContact CG-CB 4.15Å; W206-F256 AromaticContact CG-CD2 3.6Å; W206-F256 HydrophobicContact CG-CD2 3.6Å; W206-F256 HydrophobicContact CG-CE2 4.13Å; W206-F256 HydrophobicContact CG-CG 4.01Å; W206-F256 HydrophobicContact CH2-CB 4.02Å; W206-F256 HydrophobicContact CZ2-CB 3.5Å; W206-F256 VanDerWaalsContact CZ2-CB 3.5Å; W206-F256 HydrophobicContact CZ3-CB 4.35Å; L217-F256 HydrophobicContact CB-CE2 4.26Å; L217-F256 HydrophobicContact CB-CZ 3.96Å; L217-F256 HydrophobicContact CD1-CE1 4.26Å; L217-F256 HydrophobicContact CD1-CZ 3.87Å; L218-F256 HydrophobicContact CB-CD2 4.42Å; L218-F256 HydrophobicContact CB-CE2 3.89Å; L218-F256 HydrophobicContact CD1-CD2 4.48Å; L218-F256 HydrophobicContact CD1-CE2 4.36Å; A235-F256 HydrophobicContact CB-CD2 4.41Å; A235-F256 HydrophobicContact CB-CE1 4.26Å; A235-F256 HydrophobicContact CB-CE2 3.4Å; A235-F256 HydrophobicContact CB-CZ 3.3Å; G254-F256 PolarHBondContact O-N 2.95Å; F256-L258 HydrophobicContact CD1-CB 4.21Å; F256-L258 HydrophobicContact CE1-CB 3.74Å; F256-L258 HydrophobicContact CE1-CD1 4.05Å; F256-L258 HydrophobicContact CE1-CD2 4.39Å; F256-L258 HydrophobicContact CE1-CG 4.28Å; F256-L258 HydrophobicContact CZ-CD1 4.18Å; F256-Y269 HydrophobicContact CE1-CD1 4.46Å; F256-Y269 HydrophobicContact CE1-CE1 4.07Å
257W98.2Very high94.2Very high78 Ų7845 Ų4530%0.29521%0.214SC..EExtended strand (participates in β ladder)trans-111.3118.4175.117568000109.9D175 A176 L177 A235 V236 F238 P259D175-W257 WeakPolarHBondContact OD2-CZ2 3.08Å; D175-W257 PolarHBondContact OD2-NE1 3.13Å; D175-W257 VanDerWaalsContact OD2-NE1 3.08Å; A176-W257 WeakPolarHBondContact O-CA 3.26Å; L177-W257 HydrophobicContact CD2-CB 3.8Å; L177-W257 HydrophobicContact CD2-CG 4.09Å; A235-W257 WeakPolarHBondContact CA-O 3.43Å; V236-W257 HydrophobicContact CB-CE3 4.18Å; V236-W257 HydrophobicContact CG1-CE3 4Å; V236-W257 HydrophobicContact CG1-CZ3 4.12Å; V236-W257 HydrophobicContact CG2-CB 4.08Å; V236-W257 HydrophobicContact CG2-CD2 4.18Å; V236-W257 HydrophobicContact CG2-CE3 3.4Å; V236-W257 VanDerWaalsContact CG2-CE3 3.4Å; V236-W257 HydrophobicContact CG2-CZ3 4.14Å; V236-W257 PolarHBondContact N-O 3.31Å; V236-W257 PolarHBondContact O-N 2.89Å; F238-W257 HydrophobicContact CE2-CB 4.26Å; W257-P259 HydrophobicContact CH2-CB 4.24Å; W257-P259 HydrophobicContact CZ2-CB 4.14Å
258L97.3Very high94.8Very high0 Ų038.4 Ų38.40%019%0.193CC..EExtended strand (participates in β ladder)trans-113.4111177.8-171.764.7000109.4D175 A176 E233 A235 F256 V261 Q265 Y269 L286D175-L258 CarbonylContact C-O 3.55Å; D175-L258 WeakPolarHBondContact CA-O 3.49Å; A176-L258 HydrophobicContact CB-CB 4.38Å; A176-L258 PolarHBondContact N-O 2.82Å; A176-L258 PolarHBondContact O-N 2.84Å; E233-L258 HydrophobicContact CB-CD1 4.01Å; A235-L258 HydrophobicContact CB-CD1 4.02Å; F256-L258 HydrophobicContact CD1-CB 4.21Å; F256-L258 HydrophobicContact CE1-CB 3.74Å; F256-L258 HydrophobicContact CE1-CD1 4.05Å; F256-L258 HydrophobicContact CE1-CD2 4.39Å; F256-L258 HydrophobicContact CE1-CG 4.28Å; F256-L258 HydrophobicContact CZ-CD1 4.18Å; L258-V261 HydrophobicContact CB-CG2 4.29Å; L258-V261 HydrophobicContact CD2-CG2 3.99Å; L258-V261 HydrophobicContact CG-CG2 4.11Å; L258-Q265 HydrophobicContact CD2-CB 4.21Å; L258-Y269 HydrophobicContact CD2-CE1 4.4Å; L258-Y269 WeakPolarHBondContact CD2-OH 3.23Å; L258-L286 HydrophobicContact CD2-CD2 4.39Å
259P97Very high95.4Very high23 Ų2337.2 Ų37.215%0.14918%0.181CC..SBendtrans-76.1144.9-175.229.5-34.9000112.4D175 W257 V261D175-P259 VanDerWaalsContact OD1-CA 3.3Å; D175-P259 WeakPolarHBondContact OD1-CA 3.35Å; W257-P259 HydrophobicContact CH2-CB 4.24Å; W257-P259 HydrophobicContact CZ2-CB 4.14Å; P259-V261 PolarHBondContact O-N 3.5Å
260R95.2Very high95.5Very high180 Ų18035.8 Ų35.868%0.67917%0.171SC*.SBendtrans45.361.6171.8-63-176.7-67.2-126-3114.2D175 Q262D175-R260 PolarHBondContact OD1-N 2.82Å; R260-Q262 PolarHBondContact O-N 3.09Å
261V95.8Very high95.7Very high0 Ų035.2 Ų35.20%017%0.169CC..  trans-59.6129.1-173.9-176.60000112.4V170 G173 Q174 A176 L258 P259 Q265 L286 V288V170-V261 HydrophobicContact CG1-CB 3.81Å; V170-V261 HydrophobicContact CG1-CG1 3.7Å; V170-V261 HydrophobicContact CG1-CG2 4.08Å; V170-V261 HydrophobicContact CG2-CB 4.43Å; V170-V261 HydrophobicContact CG2-CG2 4.32Å; G173-V261 PolarHBondContact N-O 2.75Å; Q174-V261 PolarHBondContact O-N 3.43Å; A176-V261 HydrophobicContact CB-CG2 3.57Å; L258-V261 HydrophobicContact CB-CG2 4.29Å; L258-V261 HydrophobicContact CD2-CG2 3.99Å; L258-V261 HydrophobicContact CG-CG2 4.11Å; P259-V261 PolarHBondContact O-N 3.5Å; V261-Q265 VanDerWaalsContact CA-OE1 3.28Å; V261-Q265 HydrophobicContact CG1-CB 4.24Å; V261-L286 HydrophobicContact CG1-CD2 4.24Å; V261-V288 HydrophobicContact CG1-CG2 3.69Å
262Q93.3Very high95.7Very high80 Ų8033.7 Ų33.737%0.37416%0.159SC..  trans-112.2161.2176.5-62.4-167.5-2.400111.3R260 F264 Q265R260-Q262 PolarHBondContact O-N 3.09Å; Q262-F264 VanDerWaalsContact C-N 3.26Å; Q262-F264 HydrophobicContact CB-CD1 3.65Å; Q262-F264 HydrophobicContact CB-CE1 3.64Å; Q262-F264 HydrophobicContact CG-CE1 4.19Å; Q262-F264 PolarHBondContact O-N 2.85Å; Q262-F264 VanDerWaalsContact O-N 3.16Å; Q262-Q265 WeakPolarHBondContact O-CB 3.24Å; Q262-Q265 PolarHBondContact O-N 3.45Å
263P92.5Very high95.8Very high23 Ų2333.6 Ų33.615%0.14916%0.158CC..G310 helixtrans-56.1-32.1-178.7-32.340.7000115.7L172 Q265 E266 Y321L172-P263 HydrophobicContact CD1-CG 3.77Å; P263-Q265 PolarHBondContact O-N 3.31Å; P263-E266 VanDerWaalsContact O-CB 3.23Å; P263-E266 WeakPolarHBondContact O-CB 3.49Å; P263-E266 PolarHBondContact O-N 3.41Å; P263-E266 VanDerWaalsContact O-N 3.15Å; P263-Y321 HydrophobicContact CB-CD2 4.36Å; P263-Y321 HydrophobicContact CB-CE1 4.4Å; P263-Y321 HydrophobicContact CB-CE2 3.68Å; P263-Y321 HydrophobicContact CG-CD2 3.95Å; P263-Y321 HydrophobicContact CG-CE2 3.78Å; P263-Y321 HydrophobicContact CG-CG 4.41Å
264F90.1Very high95.8Very high120 Ų12031.3 Ų31.353%0.52615%0.146SC..G310 helixtrans-69-15.1178.980.2-92.3000113.3Q262Q262-F264 VanDerWaalsContact C-N 3.26Å; Q262-F264 HydrophobicContact CB-CD1 3.65Å; Q262-F264 HydrophobicContact CB-CE1 3.64Å; Q262-F264 HydrophobicContact CG-CE1 4.19Å; Q262-F264 PolarHBondContact O-N 2.85Å; Q262-F264 VanDerWaalsContact O-N 3.16Å
265Q92.8Very high95.7Very high7 Ų731.6 Ų31.63%0.03315%0.147CC..G310 helixtrans-91.8-2.2177.7-58.1172.5-67.500112.1R208 E233 L258 V261 Q262 P263 Y269R208-Q265 WeakPolarHBondContact CD-O 3.37Å; E233-Q265 WeakPolarHBondContact OE2-CG 3.42Å; E233-Q265 PolarHBondContact OE2-NE2 2.9Å; L258-Q265 HydrophobicContact CD2-CB 4.21Å; V261-Q265 VanDerWaalsContact CA-OE1 3.28Å; V261-Q265 HydrophobicContact CG1-CB 4.24Å; Q262-Q265 WeakPolarHBondContact O-CB 3.24Å; Q262-Q265 PolarHBondContact O-N 3.45Å; P263-Q265 PolarHBondContact O-N 3.31Å; Q265-Y269 VanDerWaalsContact O-CE2 3.3Å; Q265-Y269 WeakPolarHBondContact O-CE2 3.44Å; Q265-Y269 PolarHBondContact O-OH 2.91Å
266E92Very high95.5Very high51 Ų5132.9 Ų32.924%0.23816%0.156CC..  trans-67.1151.5174.8-161.3173.1-161.800111.7P263 L286 A287 V288 Y321P263-E266 VanDerWaalsContact O-CB 3.23Å; P263-E266 WeakPolarHBondContact O-CB 3.49Å; P263-E266 PolarHBondContact O-N 3.41Å; P263-E266 VanDerWaalsContact O-N 3.15Å; E266-L286 WeakPolarHBondContact CG-O 3.46Å; E266-A287 VanDerWaalsContact OE1-CA 3.26Å; E266-A287 WeakPolarHBondContact OE1-CA 3.41Å; E266-V288 HydrophobicContact CB-CG2 4.03Å; E266-V288 HydrophobicContact CG-CG2 4.16Å; E266-V288 PolarHBondContact OE1-N 2.65Å; E266-Y321 VanDerWaalsContact OE2-CE1 3.31Å; E266-Y321 WeakPolarHBondContact OE2-CE1 3.33Å; E266-Y321 PolarHBondContact OE2-OH 3.06Å
267G92.6Very high95.3Very high13 Ų1333.6 Ų33.613%0.13416%0.158CC..EExtended strand (participates in β ladder)trans128.5-155.8172.100000113.7Y269 L286G267-Y269 VanDerWaalsContact O-CD2 3.31Å; G267-Y269 WeakPolarHBondContact O-CD2 3.23Å; G267-L286 PolarHBondContact N-O 3.35Å; G267-L286 PolarHBondContact O-N 2.73Å
268T95.5Very high95.2Very high38 Ų3830 Ų3023%0.23315%0.145CC..EExtended strand (participates in β ladder)trans-85.4121.7-171.8-48.10000111.9R208 Q209 T283 L284 E285R208-T268 WeakPolarHBondContact CA-O 3.5Å; Q209-T268 PolarHBondContact N-O 3.35Å; T268-T283 HydrophobicContact CG2-CG2 3.33Å; T268-L284 CarbonylContact C-O 3.58Å; T268-L284 WeakPolarHBondContact CA-O 3.49Å; T268-E285 VanDerWaalsContact CA-OE2 3.3Å; T268-E285 WeakPolarHBondContact CA-OE2 3.36Å; T268-E285 WeakPolarHBondContact CB-OE2 3.32Å; T268-E285 PolarHBondContact N-OE2 3.34Å; T268-E285 PolarHBondContact OG1-OE2 2.9Å
269Y96.8Very high95.1Very high0 Ų034 Ų340%016%0.164CC..EExtended strand (participates in β ladder)trans-104.7138.4174.4-73.9-108.3000109.9L178 W206 R207 R208 L217 F256 L258 Q265 G267 T283 L284 L286L178-Y269 HydrophobicContact CD1-CD1 3.71Å; L178-Y269 HydrophobicContact CD1-CE1 4.14Å; L178-Y269 HydrophobicContact CD1-CG 3.92Å; W206-Y269 HydrophobicContact CE3-CD1 4.38Å; R207-Y269 CarbonylContact O-C 3.57Å; R207-Y269 WeakPolarHBondContact O-CA 3.47Å; R208-Y269 HydrophobicContact CB-CD1 4.4Å; R208-Y269 HydrophobicContact CB-CE1 4.22Å; R208-Y269 WeakPolarHBondContact CD-OH 3.47Å; R208-Y269 HydrophobicContact CG-CD2 4.45Å; R208-Y269 HydrophobicContact CG-CE2 4.08Å; R208-Y269 PolarHBondContact NH1-OH 3.06Å; L217-Y269 HydrophobicContact CD1-CD1 3.96Å; L217-Y269 HydrophobicContact CD1-CE1 3.41Å; L217-Y269 VanDerWaalsContact CD1-CE1 3.41Å; F256-Y269 HydrophobicContact CE1-CD1 4.46Å; F256-Y269 HydrophobicContact CE1-CE1 4.07Å; L258-Y269 HydrophobicContact CD2-CE1 4.4Å; L258-Y269 WeakPolarHBondContact CD2-OH 3.23Å; Q265-Y269 VanDerWaalsContact O-CE2 3.3Å; Q265-Y269 WeakPolarHBondContact O-CE2 3.44Å; Q265-Y269 PolarHBondContact O-OH 2.91Å; G267-Y269 VanDerWaalsContact O-CD2 3.31Å; G267-Y269 WeakPolarHBondContact O-CD2 3.23Å; Y269-T283 WeakPolarHBondContact O-CA 3.4Å; Y269-L284 PolarHBondContact N-O 3.37Å; Y269-L284 PolarHBondContact O-N 3.2Å; Y269-L286 HydrophobicContact CD2-CB 3.7Å; Y269-L286 HydrophobicContact CD2-CD2 4.36Å; Y269-L286 HydrophobicContact CE2-CB 3.57Å; Y269-L286 HydrophobicContact CE2-CD2 3.53Å; Y269-L286 HydrophobicContact CE2-CG 4.18Å
270L96.6Very high95.1Very high19 Ų1933 Ų3310%0.09916%0.158CC..EExtended strand (participates in β ladder)trans-117.9127.3175.7-58.891.9000108.1W206 R207 Q209 V282W206-L270 WeakPolarHBondContact CA-O 3.42Å; R207-L270 PolarHBondContact N-O 2.97Å; R207-L270 PolarHBondContact O-N 2.64Å; Q209-L270 HydrophobicContact CB-CD1 3.58Å; L270-V282 WeakPolarHBondContact CA-O 3.44Å
271A97.9Very high95.2Very high0 Ų028.7 Ų28.70%015%0.145CC..EExtended strand (participates in β ladder)trans-114.2123.4174.400000109.2L180 E205 W206 Q281 V282 L284L180-A271 HydrophobicContact CD1-CB 3.71Å; L180-A271 HydrophobicContact CD2-CB 3.75Å; L180-A271 HydrophobicContact CG-CB 4.33Å; E205-A271 CarbonylContact O-C 3.59Å; E205-A271 WeakPolarHBondContact O-CA 3.17Å; W206-A271 HydrophobicContact CD2-CB 3.9Å; W206-A271 HydrophobicContact CE3-CB 3.87Å; W206-A271 HydrophobicContact CH2-CB 3.66Å; W206-A271 HydrophobicContact CZ2-CB 3.65Å; W206-A271 HydrophobicContact CZ3-CB 3.76Å; A271-Q281 CarbonylContact O-C 3.6Å; A271-Q281 VanDerWaalsContact O-CA 3.29Å; A271-Q281 WeakPolarHBondContact O-CA 3.48Å; A271-V282 HydrophobicContact CB-CG2 3.94Å; A271-V282 PolarHBondContact N-O 2.87Å; A271-V282 PolarHBondContact O-N 3.44Å; A271-L284 HydrophobicContact CB-CD1 4.44Å
272T97.9Very high95.3Very high4 Ų428.8 Ų28.83%0.02515%0.146CC..EExtended strand (participates in β ladder)trans-120.9127.3179.5-51.50000110E205 Q279 G280 Q281E205-T272 PolarHBondContact N-O 2.69Å; E205-T272 PolarHBondContact O-N 3.22Å; T272-Q279 HydrophobicContact CG2-CB 4.18Å; T272-G280 CarbonylContact C-O 3.59Å; T272-G280 VanDerWaalsContact CA-O 3.31Å; T272-G280 WeakPolarHBondContact CA-O 3.42Å; T272-Q281 HydrophobicContact CG2-CB 4.41Å; T272-Q281 WeakPolarHBondContact OG1-CG 3.46Å; T272-Q281 PolarHBondContact OG1-OE1 2.91Å
273I98.3Very high95.4Very high0 Ų028 Ų280%015%0.146CC..EExtended strand (participates in β ladder)trans-98.5125.2168.6-60.4-64000107.8V161 L180 F182 F202 G203 L204 Q279 G280V161-I273 HydrophobicContact CG1-CG1 4.01Å; V161-I273 HydrophobicContact CG2-CB 3.86Å; V161-I273 HydrophobicContact CG2-CG1 3.9Å; L180-I273 HydrophobicContact CD2-CD1 4.05Å; L180-I273 HydrophobicContact CD2-CG1 4.47Å; F182-I273 HydrophobicContact CB-CG1 4.15Å; F182-I273 HydrophobicContact CD1-CD1 3.77Å; F182-I273 HydrophobicContact CD1-CG1 4.02Å; F182-I273 HydrophobicContact CD2-CG2 3.95Å; F182-I273 HydrophobicContact CE1-CD1 3.97Å; F182-I273 HydrophobicContact CE2-CG2 4.16Å; F182-I273 HydrophobicContact CG-CD1 4.26Å; F182-I273 HydrophobicContact CG-CG1 4.02Å; F182-I273 HydrophobicContact CG-CG2 4.21Å; F202-I273 HydrophobicContact CD2-CD1 4.47Å; F202-I273 HydrophobicContact CD2-CG2 4.44Å; G203-I273 CarbonylContact O-C 3.49Å; G203-I273 WeakPolarHBondContact O-CA 3.25Å; L204-I273 HydrophobicContact CD1-CD1 3.54Å; I273-Q279 VanDerWaalsContact O-CA 3.26Å; I273-Q279 WeakPolarHBondContact O-CA 3.32Å; I273-G280 PolarHBondContact N-O 3.18Å; I273-G280 PolarHBondContact O-N 2.83Å
274H97.6Very high95.6Very high7 Ų727 Ų273%0.03214%0.14CC..EExtended strand (participates in β ladder)trans-105127177.2-64.7-84.7000109.5W105 L109 F202 G203 E205W105-H274 AromaticContact CH2-CD2 3.7Å; L109-H274 HydrophobicContact CD1-CB 3.66Å; F202-H274 CarbonylContact C-O 3.55Å; F202-H274 WeakPolarHBondContact CA-O 3.42Å; G203-H274 PolarHBondContact N-O 2.99Å; G203-H274 PolarHBondContact O-N 3.05Å; E205-H274 IonicContact OE2-CD2 2.89Å; E205-H274 IonicContact OE2-CE1 3.95Å; E205-H274 IonicContact OE2-NE2 2.67Å; E205-H274 PolarHBondContact OE2-NE2 3.13Å
275L95.7Very high95.9Very high6 Ų625.6 Ų25.63%0.03114%0.135CC..EExtended strand (participates in β ladder)trans-121168.8167.8-77.6169.3000107.8L159 Y184 P200 F202 W241 Y277 L278L159-L275 HydrophobicContact CD1-CD1 3.67Å; L159-L275 HydrophobicContact CD2-CD1 4.23Å; L159-L275 HydrophobicContact CG-CD1 4.37Å; Y184-L275 HydrophobicContact CD1-CD1 4.26Å; Y184-L275 HydrophobicContact CD2-CD1 3.38Å; Y184-L275 HydrophobicContact CE2-CD1 3.87Å; Y184-L275 HydrophobicContact CG-CD1 3.59Å; P200-L275 HydrophobicContact CG-CD2 4.14Å; F202-L275 HydrophobicContact CB-CD2 3.81Å; W241-L275 HydrophobicContact CH2-CD2 4.44Å; W241-L275 HydrophobicContact CZ2-CD2 4.2Å; L275-Y277 PolarHBondContact O-N 2.84Å; L275-L278 CarbonylContact C-O 3.54Å; L275-L278 HydrophobicContact CB-CB 4.1Å; L275-L278 PolarHBondContact N-O 2.81Å; L275-L278 PolarHBondContact O-N 3.12Å
276P93.3Very high96Very high41 Ų4125.3 Ų25.327%0.26613%0.134SC..THydrogen-bonded Turntrans-53.3112.5176.7-26.735.2000111.3T110 L278T110-P276 HydrophobicContact CG2-CB 4.32Å; P276-L278 PolarHBondContact O-N 3.43Å; P276-L278 VanDerWaalsContact O-N 3.14Å
277Y94.1Very high96.1Very high15 Ų1523.9 Ų23.96%0.05913%0.131CC..THydrogen-bonded Turntrans63.71.7-177.5-54-98.1000116.8P98 L99 P100 T110 A112 N114 P116 L119 L275P98-Y277 CarbonylContact C-O 3.59Å; P98-Y277 VanDerWaalsContact CA-O 3.27Å; P98-Y277 WeakPolarHBondContact CA-O 3.24Å; L99-Y277 PolarHBondContact N-O 2.9Å; L99-Y277 VanDerWaalsContact N-O 3.11Å; L99-Y277 CarbonylContact O-C 3.44Å; L99-Y277 WeakPolarHBondContact O-CA 3.36Å; P100-Y277 HydrophobicContact CG-CD1 3.92Å; P100-Y277 HydrophobicContact CG-CE1 3.65Å; T110-Y277 HydrophobicContact CG2-CD2 3.85Å; T110-Y277 HydrophobicContact CG2-CE2 3.56Å; T110-Y277 HydrophobicContact CG2-CG 4.38Å; A112-Y277 PolarHBondContact O-OH 3.01Å; N114-Y277 PolarHBondContact O-OH 2.89Å; P116-Y277 HydrophobicContact CG-CD2 3.64Å; P116-Y277 HydrophobicContact CG-CE2 3.45Å; P116-Y277 VanDerWaalsContact CG-CE2 3.45Å; L119-Y277 HydrophobicContact CD1-CD2 4Å; L119-Y277 HydrophobicContact CD1-CG 3.89Å; L275-Y277 PolarHBondContact O-N 2.84Å
278L96.1Very high96.3Very high4 Ų423.4 Ų23.42%0.02113%0.125CC..EExtended strand (participates in β ladder)trans-122.3140.5-175.3-58.1179.5000109.4F96 P98 L119 W123 L138 V158 Y184 L275 P276F96-L278 HydrophobicContact CE1-CD2 3.86Å; P98-L278 HydrophobicContact CB-CD2 4.29Å; P98-L278 HydrophobicContact CG-CD2 4.41Å; L119-L278 HydrophobicContact CD2-CD1 4.43Å; L119-L278 HydrophobicContact CD2-CD2 4.41Å; W123-L278 HydrophobicContact CE3-CD2 4.4Å; W123-L278 HydrophobicContact CH2-CD1 4.39Å; W123-L278 HydrophobicContact CH2-CD2 4.08Å; W123-L278 HydrophobicContact CZ3-CD1 4.47Å; W123-L278 HydrophobicContact CZ3-CD2 3.95Å; L138-L278 HydrophobicContact CD1-CB 3.92Å; L138-L278 HydrophobicContact CD1-CD2 4.04Å; L138-L278 HydrophobicContact CD1-CG 4.45Å; V158-L278 HydrophobicContact CG1-CD1 3.91Å; Y184-L278 HydrophobicContact CE2-CD1 4.11Å; L275-L278 CarbonylContact C-O 3.54Å; L275-L278 HydrophobicContact CB-CB 4.1Å; L275-L278 PolarHBondContact N-O 2.81Å; L275-L278 PolarHBondContact O-N 3.12Å; P276-L278 PolarHBondContact O-N 3.43Å; P276-L278 VanDerWaalsContact O-N 3.14Å
279Q96.8Very high96.3Very high84 Ų8424.2 Ų24.239%0.39312%0.124SC..EExtended strand (participates in β ladder)trans-142.5138.5172.863.6178.829.200110.8F96 T272 I273F96-Q279 HydrophobicContact CE2-CG 4.33Å; T272-Q279 HydrophobicContact CG2-CB 4.18Å; I273-Q279 VanDerWaalsContact O-CA 3.26Å; I273-Q279 WeakPolarHBondContact O-CA 3.32Å
280G96.8Very high96.3Very high2 Ų226.1 Ų26.12%0.02113%0.132CC..EExtended strand (participates in β ladder)trans-121.1135.9171.500000109.4T272 I273T272-G280 CarbonylContact C-O 3.59Å; T272-G280 VanDerWaalsContact CA-O 3.31Å; T272-G280 WeakPolarHBondContact CA-O 3.42Å; I273-G280 PolarHBondContact N-O 3.18Å; I273-G280 PolarHBondContact O-N 2.83Å
281Q97.1Very high96.3Very high89 Ų8926.3 Ų26.342%0.41614%0.135SC..EExtended strand (participates in β ladder)trans-128.7132.1-177.1-175.9-179-84.500110.7S136 A271 T272S136-Q281 WeakPolarHBondContact CB-O 3.46Å; A271-Q281 CarbonylContact O-C 3.6Å; A271-Q281 VanDerWaalsContact O-CA 3.29Å; A271-Q281 WeakPolarHBondContact O-CA 3.48Å; T272-Q281 HydrophobicContact CG2-CB 4.41Å; T272-Q281 WeakPolarHBondContact OG1-CG 3.46Å; T272-Q281 PolarHBondContact OG1-OE1 2.91Å
282V97.4Very high96.2Very high2 Ų226.3 Ų26.31%0.01214%0.135CC..EExtended strand (participates in β ladder)trans-120151.5171.9-63.60000110.9V161 T163 L180 L270 A271 L284V161-V282 HydrophobicContact CB-CG1 4.14Å; V161-V282 HydrophobicContact CG1-CG1 3.88Å; V161-V282 HydrophobicContact CG1-CG2 4.01Å; V161-V282 WeakPolarHBondContact O-CG1 3.41Å; T163-V282 HydrophobicContact CG2-CB 4.48Å; T163-V282 HydrophobicContact CG2-CG2 4.32Å; L180-V282 HydrophobicContact CD1-CG2 3.39Å; L270-V282 WeakPolarHBondContact CA-O 3.44Å; A271-V282 HydrophobicContact CB-CG2 3.94Å; A271-V282 PolarHBondContact N-O 2.87Å; A271-V282 PolarHBondContact O-N 3.44Å; V282-L284 HydrophobicContact CG2-CD1 4.06Å
283T96.3Very high96.1Very high63 Ų6333.1 Ų33.139%0.38716%0.164SC..EExtended strand (participates in β ladder)trans-111.8136.4179.2-54.30000109.9S134 T268 Y269S134-T283 WeakPolarHBondContact CB-O 3.37Å; S134-T283 PolarHBondContact OG-O 2.91Å; T268-T283 HydrophobicContact CG2-CG2 3.33Å; Y269-T283 WeakPolarHBondContact O-CA 3.4Å
284L96.8Very high96Very high1 Ų134.4 Ų34.41%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-127.2144.2175.7-58.683.1000109.8T163 P166 L178 W206 T268 Y269 A271 V282T163-L284 HydrophobicContact CG2-CD1 4.09Å; T163-L284 HydrophobicContact CG2-CD2 4.13Å; T163-L284 HydrophobicContact CG2-CG 3.77Å; T163-L284 WeakPolarHBondContact OG1-CD2 3.41Å; P166-L284 CarbonylContact O-C 3.55Å; P166-L284 VanDerWaalsContact O-CA 3.25Å; P166-L284 WeakPolarHBondContact O-CA 3.41Å; L178-L284 HydrophobicContact CB-CD2 4Å; W206-L284 HydrophobicContact CH2-CD1 3.96Å; W206-L284 HydrophobicContact CH2-CD2 4.15Å; W206-L284 HydrophobicContact CZ3-CD1 3.96Å; W206-L284 HydrophobicContact CZ3-CD2 4.49Å; T268-L284 CarbonylContact C-O 3.58Å; T268-L284 WeakPolarHBondContact CA-O 3.49Å; Y269-L284 PolarHBondContact N-O 3.37Å; Y269-L284 PolarHBondContact O-N 3.2Å; A271-L284 HydrophobicContact CB-CD1 4.44Å; V282-L284 HydrophobicContact CG2-CD1 4.06Å
285E95.4Very high95.9Very high92 Ų9236.4 Ų36.443%0.4319%0.186SC..EExtended strand (participates in β ladder)trans-112.693.2177.4-168.465.6-164.700110.1P166 A167 P168 T268 A287P166-E285 PolarHBondContact O-N 2.77Å; A167-E285 CarbonylContact C-O 3.53Å; A167-E285 WeakPolarHBondContact CA-O 3.3Å; P168-E285 WeakPolarHBondContact CD-O 3.33Å; T268-E285 VanDerWaalsContact CA-OE2 3.3Å; T268-E285 WeakPolarHBondContact CA-OE2 3.36Å; T268-E285 WeakPolarHBondContact CB-OE2 3.32Å; T268-E285 PolarHBondContact N-OE2 3.34Å; T268-E285 PolarHBondContact OG1-OE2 2.9Å; E285-A287 PolarHBondContact O-N 3.3Å
286L95.6Very high95.9Very high1 Ų136.5 Ų36.51%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-75119.9-180177.264.2000109.3P168 V170 A176 L178 L258 V261 E266 G267 Y269P168-L286 HydrophobicContact CB-CD1 4.25Å; P168-L286 HydrophobicContact CG-CB 4.43Å; P168-L286 HydrophobicContact CG-CD1 4Å; V170-L286 HydrophobicContact CB-CD1 4.26Å; V170-L286 HydrophobicContact CG1-CD1 3.75Å; V170-L286 HydrophobicContact CG1-CG 4.44Å; A176-L286 HydrophobicContact CB-CD1 4.31Å; L178-L286 HydrophobicContact CD2-CD1 3.99Å; L258-L286 HydrophobicContact CD2-CD2 4.39Å; V261-L286 HydrophobicContact CG1-CD2 4.24Å; E266-L286 WeakPolarHBondContact CG-O 3.46Å; G267-L286 PolarHBondContact N-O 3.35Å; G267-L286 PolarHBondContact O-N 2.73Å; Y269-L286 HydrophobicContact CD2-CB 3.7Å; Y269-L286 HydrophobicContact CD2-CD2 4.36Å; Y269-L286 HydrophobicContact CE2-CB 3.57Å; Y269-L286 HydrophobicContact CE2-CD2 3.53Å; Y269-L286 HydrophobicContact CE2-CG 4.18Å
287A94.6Very high95.9Very high21 Ų2139.2 Ų39.217%0.17420%0.197CC..EExtended strand (participates in β ladder)trans-109.9138.717400000111.5P168 R169 V170 E266 E285P168-A287 PolarHBondContact O-N 2.84Å; R169-A287 WeakPolarHBondContact CA-O 3.39Å; R169-A287 HydrophobicContact CG-CB 4.35Å; V170-A287 PolarHBondContact N-O 2.81Å; E266-A287 VanDerWaalsContact OE1-CA 3.26Å; E266-A287 WeakPolarHBondContact OE1-CA 3.41Å; E285-A287 PolarHBondContact O-N 3.3Å
288V95.4Very high95.7Very high2 Ų240.6 Ų40.61%0.01221%0.208CC..EExtended strand (participates in β ladder)trans-102140.5178.4-178.20000109.3V170 L172 V261 E266 Y321V170-V288 HydrophobicContact CG1-CG2 4.1Å; V170-V288 CarbonylContact O-C 3.51Å; V170-V288 WeakPolarHBondContact O-CA 3.4Å; L172-V288 HydrophobicContact CB-CG1 3.79Å; L172-V288 HydrophobicContact CG-CG1 4.3Å; V261-V288 HydrophobicContact CG1-CG2 3.69Å; E266-V288 HydrophobicContact CB-CG2 4.03Å; E266-V288 HydrophobicContact CG-CG2 4.16Å; E266-V288 PolarHBondContact OE1-N 2.65Å; V288-Y321 HydrophobicContact CB-CD1 4.14Å; V288-Y321 HydrophobicContact CB-CE1 4.08Å; V288-Y321 HydrophobicContact CG1-CD1 4.13Å; V288-Y321 HydrophobicContact CG1-CE1 4.47Å; V288-Y321 WeakPolarHBondContact O-CD1 3.2Å
289Y96.3Very high95Very high56 Ų5643.4 Ų43.422%0.2223%0.232CC..EExtended strand (participates in β ladder)trans-142.4153.1173.277.4-85.7000113.2R169 V170 R171 L172 Y321R169-Y289 HydrophobicContact CB-CD1 4Å; R169-Y289 HydrophobicContact CB-CE1 3.99Å; V170-Y289 VanDerWaalsContact O-CD1 3.29Å; V170-Y289 WeakPolarHBondContact O-CD1 3.36Å; V170-Y289 PolarHBondContact O-N 2.8Å; R171-Y289 CarbonylContact C-O 3.58Å; R171-Y289 WeakPolarHBondContact CA-O 3.19Å; L172-Y289 PolarHBondContact N-O 2.92Å; Y289-Y321 CarbonylContact C-O 3.55Å; Y289-Y321 WeakPolarHBondContact CA-O 3.4Å
290K96.8Very high94.1Very high39 Ų3944.3 Ų44.317%0.1724%0.243CC..BIsolated β-bridgetrans-145.1122.7172.3-166.1177.3179.7178.70108.9L172 H319 F320 Y321 D357 S388L172-K290 HydrophobicContact CB-CB 4.02Å; L172-K290 HydrophobicContact CB-CD 4.15Å; L172-K290 HydrophobicContact CB-CG 4.4Å; L172-K290 HydrophobicContact CD1-CD 4.2Å; L172-K290 HydrophobicContact CD2-CD 4.27Å; L172-K290 HydrophobicContact CG-CD 4.46Å; K290-H319 HydrophobicContact CD-CB 4.46Å; K290-H319 WeakPolarHBondContact CD-O 3.43Å; K290-H319 WeakPolarHBondContact CE-O 3.31Å; K290-H319 WeakPolarHBondContact CG-O 3.33Å; K290-F320 WeakPolarHBondContact O-CA 3.33Å; K290-Y321 PolarHBondContact N-O 3.45Å; K290-Y321 PolarHBondContact O-N 2.98Å; K290-Y321 VanDerWaalsContact O-N 3.1Å; K290-D357 IonicContact NZ-OD2 3.77Å; K290-D357 PolarHBondContact NZ-OD2 3.31Å; K290-S388 PolarHBondContact O-OG 2.95Å
291P96.1Very high93.3Very high24 Ų2448.8 Ų48.816%0.15627%0.266CS..PPolyproline II helixtrans-71.4138178.428.4-32.8000111.5S388 L389P291-S388 WeakPolarHBondContact CA-OG 3.33Å; P291-L389 HydrophobicContact CB-CD2 4.24Å
292P96.9Very high92.6Very high0 Ų044.6 Ų44.60%025%0.247CC..PPolyproline II helixtrans-64.9144.3178.525.4-33.7000112V294 V317 F320 I384 H386 L389 R394P292-V294 HydrophobicContact CB-CG2 4.31Å; P292-V294 HydrophobicContact CG-CG2 4.44Å; P292-V317 HydrophobicContact CB-CG1 3.5Å; P292-V317 HydrophobicContact CG-CG1 4.39Å; P292-F320 HydrophobicContact CB-CB 3.73Å; P292-F320 HydrophobicContact CB-CD1 4.44Å; P292-F320 HydrophobicContact CB-CG 4.32Å; P292-F320 HydrophobicContact CG-CB 4.38Å; P292-I384 HydrophobicContact CG-CG2 4.2Å; P292-H386 HydrophobicContact CG-CB 4.46Å; P292-L389 HydrophobicContact CG-CD1 3.72Å; P292-L389 HydrophobicContact CG-CD2 4.29Å; P292-L389 HydrophobicContact CG-CG 4.1Å; P292-R394 PolarHBondContact O-NH1 3.08Å
293K95.7Very high92Very high147 Ų14751.9 Ų51.964%0.63927%0.274SS*.EExtended strand (participates in β ladder)trans-88.8119.2160.2-64.8-178.2-179.7-1790107.7S318K293-S318 PolarHBondContact N-O 2.99Å; K293-S318 PolarHBondContact O-N 2.91Å
294V96.1Very high91.5Very high27 Ų2749 Ų4916%0.16426%0.256CS..EExtended strand (participates in β ladder)trans-107.7126.8-176.9-173.40000108.2P292 L316 I384 R394 A396P292-V294 HydrophobicContact CB-CG2 4.31Å; P292-V294 HydrophobicContact CG-CG2 4.44Å; V294-L316 WeakPolarHBondContact CA-O 3.45Å; V294-I384 HydrophobicContact CB-CG1 4.32Å; V294-I384 HydrophobicContact CG1-CG1 3.68Å; V294-I384 HydrophobicContact CG2-CB 4.02Å; V294-I384 HydrophobicContact CG2-CG1 3.61Å; V294-I384 HydrophobicContact CG2-CG2 4.46Å; V294-R394 HydrophobicContact CB-CG 4.29Å; V294-R394 HydrophobicContact CG2-CB 4.37Å; V294-R394 HydrophobicContact CG2-CG 3.98Å; V294-A396 HydrophobicContact CG1-CB 3.93Å
295S95.2Very high91Very high48 Ų4850 Ų5034%0.33627%0.266SS..EExtended strand (participates in β ladder)trans-141.9152174.652.60000110.1C315 L316S295-C315 CarbonylContact O-C 3.49Å; S295-L316 PolarHBondContact N-O 2.69Å; S295-L316 PolarHBondContact O-N 2.85Å; S295-L316 WeakPolarHBondContact OG-CB 3.32Å
296L95Very high90.5Very high8 Ų848.9 Ų48.94%0.04227%0.266CS..EExtended strand (participates in β ladder)trans-115143.2-178.3-146.5157.7000109P298 A299 L313 L314 W330 C382 A396 V398L296-P298 CarbonylContact C-O 3.55Å; L296-P298 CarbonylContact O-C 3.56Å; L296-A299 VanDerWaalsContact O-CA 3.29Å; L296-A299 WeakPolarHBondContact O-CA 3.3Å; L296-L313 HydrophobicContact CD2-CB 4.17Å; L296-L313 HydrophobicContact CD2-CD2 4.23Å; L296-L314 CarbonylContact C-O 3.6Å; L296-L314 WeakPolarHBondContact CA-O 3.4Å; L296-W330 HydrophobicContact CD1-CZ3 4.07Å; L296-W330 HydrophobicContact CG-CH2 4.48Å; L296-W330 HydrophobicContact CG-CZ3 4.42Å; L296-C382 HydrophobicContact CD1-CB 4.12Å; L296-A396 HydrophobicContact CB-CB 4.05Å; L296-A396 HydrophobicContact CD1-CB 4.5Å; L296-A396 WeakPolarHBondContact CD1-O 3.47Å; L296-V398 HydrophobicContact CD1-CB 4.42Å; L296-V398 HydrophobicContact CD1-CG1 4.11Å; L296-V398 HydrophobicContact CD2-CB 4.03Å; L296-V398 HydrophobicContact CD2-CG1 3.72Å
297M93.1Very high90Very high98 Ų9851.7 Ų51.748%0.48330%0.295SS..EExtended strand (participates in β ladder)trans-126.8124.7174.1-70.7-67.4-179.100108.8L314 L316M297-L314 HydrophobicContact CB-CB 4.29Å; M297-L314 PolarHBondContact N-O 2.98Å; M297-L314 PolarHBondContact O-N 2.88Å; M297-L316 HydrophobicContact CE-CD1 4.39Å; M297-L316 HydrophobicContact CG-CD1 3.98Å
298P91.3Very high89.7Confident45 Ų4555.7 Ų55.729%0.29231%0.31SS..SBendcis-60.8151.9-5.8-21.434.3000113.6L296 L301 P311 V398L296-P298 CarbonylContact C-O 3.55Å; L296-P298 CarbonylContact O-C 3.56Å; P298-L301 WeakPolarHBondContact CB-O 3.46Å; P298-P311 HydrophobicContact CG-CG 4.47Å; P298-V398 WeakPolarHBondContact O-CG2 3.48Å
299A81Confident89.3Confident63 Ų6357.9 Ų57.952%0.52133%0.328SS..SBendtrans-80.8-28.3-16800000115.1L296L296-A299 VanDerWaalsContact O-CA 3.29Å; L296-A299 WeakPolarHBondContact O-CA 3.3Å
300T77.1Confident88.9Confident102 Ų10255.2 Ų55.263%0.62632%0.318SS*.SBendtrans-128.7-43.3-171.651.70000113T399T300-T399 PolarHBondContact O-N 3.43Å
301L79.9Confident88.6Confident96 Ų9656.3 Ų56.350%0.50333%0.329SS..EExtended strand (participates in β ladder)trans-134.9130.6-171.8-63.3169.9000111P298 T399 E401P298-L301 WeakPolarHBondContact CB-O 3.46Å; L301-T399 WeakPolarHBondContact CA-O 3.48Å; L301-E401 HydrophobicContact CD2-CG 3.79Å
302A82.7Confident88.6Confident1 Ų158.9 Ų58.91%0.00834%0.339CS..EExtended strand (participates in β ladder)trans-111.1130.5163.600000107.8L313 V398 T399 L400 E401A302-L313 HydrophobicContact CB-CD2 4.17Å; A302-V398 HydrophobicContact CB-CG2 4.31Å; A302-T399 PolarHBondContact N-O 3.44Å; A302-L400 WeakPolarHBondContact O-CA 3.42Å; A302-E401 PolarHBondContact O-N 2.9Å
303W85Confident88.5Confident156 Ų15658.9 Ų58.959%0.59134%0.339SS*.EExtended strand (participates in β ladder)trans-114.3142.6-177.3163.890.8000110.2P311 E401W303-P311 VanDerWaalsContact O-CD 3.25Å; W303-P311 WeakPolarHBondContact O-CD 3.41Å; W303-E401 WeakPolarHBondContact CA-O 3.46Å
304A86.4Confident88.5Confident1 Ų154 Ų541%0.00832%0.32CS..EExtended strand (participates in β ladder)trans-154150.6169.600000111P310 V371 E401 V402 A403A304-P310 HydrophobicContact CB-CB 4.3Å; A304-P310 HydrophobicContact CB-CG 3.96Å; A304-V371 HydrophobicContact CB-CG2 3.67Å; A304-E401 PolarHBondContact N-O 2.88Å; A304-V402 WeakPolarHBondContact O-CA 3.3Å; A304-A403 PolarHBondContact O-N 2.92Å
305A85Confident88.6Confident24 Ų2452.8 Ų52.820%0.19831%0.312CS..  trans-75.5154.8166.300000110.9G307 E308A305-G307 PolarHBondContact O-N 3.42Å; A305-E308 HydrophobicContact CB-CB 4.37Å; A305-E308 HydrophobicContact CB-CG 4.17Å; A305-E308 WeakPolarHBondContact O-CB 3.47Å; A305-E308 PolarHBondContact O-N 3.25Å
306P85.6Confident88.7Confident68 Ų6852.4 Ų52.444%0.44231%0.306SS..THydrogen-bonded Turntrans-54.5127.7172.3-22.631.2000111.3E308 T373 V402P306-E308 VanDerWaalsContact C-N 3.3Å; P306-T373 HydrophobicContact CB-CG2 4.46Å; P306-T373 HydrophobicContact CG-CG2 4.23Å; P306-V402 HydrophobicContact CB-CG1 4.41Å; P306-V402 HydrophobicContact CG-CG1 3.72Å
307G84.6Confident88.8Confident59 Ų5952 Ų5261%0.60830%0.304SS*.THydrogen-bonded Turntrans83.1-1-177.400000115.1A305 V371A305-G307 PolarHBondContact O-N 3.42Å; G307-V371 PolarHBondContact N-O 3.49Å
308E88.2Confident89Confident106 Ų10648.9 Ų48.950%0.49529%0.292SS..SBendtrans-102.7152.7170.8-68.1-175.9169.800111.4A305 P306 P370 V371A305-E308 HydrophobicContact CB-CB 4.37Å; A305-E308 HydrophobicContact CB-CG 4.17Å; A305-E308 WeakPolarHBondContact O-CB 3.47Å; A305-E308 PolarHBondContact O-N 3.25Å; P306-E308 VanDerWaalsContact C-N 3.3Å; E308-P370 WeakPolarHBondContact O-CA 3.38Å; E308-V371 PolarHBondContact O-N 3.41Å; E308-V371 VanDerWaalsContact O-N 3.07Å
309A87.9Confident89.2Confident47 Ų4749.7 Ų49.739%0.38829%0.292SS..PPolyproline II helixtrans-81.7133.8174.400000110.3
310P88.2Confident89.9Confident1 Ų146.8 Ų46.81%0.00627%0.267CS..PPolyproline II helixtrans-56.5160.9169.5-2331.9000112.7A304 Q367 P368 P369 V371 L400A304-P310 HydrophobicContact CB-CB 4.3Å; A304-P310 HydrophobicContact CB-CG 3.96Å; P310-Q367 PolarHBondContact O-NE2 2.82Å; P310-P368 HydrophobicContact CB-CB 4.48Å; P310-P368 HydrophobicContact CB-CG 4.22Å; P310-P368 HydrophobicContact CG-CB 4.18Å; P310-P368 HydrophobicContact CG-CG 4.44Å; P310-P369 WeakPolarHBondContact CD-O 3.38Å; P310-V371 HydrophobicContact CG-CG1 3.49Å; P310-V371 VanDerWaalsContact CG-CG1 3.49Å; P310-L400 HydrophobicContact CB-CD1 4.35Å; P310-L400 HydrophobicContact CG-CD1 3.81Å
311P90.5Very high90.9Very high61 Ų6143.6 Ų43.640%0.39624%0.244SC..PPolyproline II helixtrans-58.3155.1172.126.9-35.7000111P298 W303 L313P298-P311 HydrophobicContact CG-CG 4.47Å; W303-P311 VanDerWaalsContact O-CD 3.25Å; W303-P311 WeakPolarHBondContact O-CD 3.41Å; P311-L313 PolarHBondContact O-N 2.99Å
312E94.4Very high91.6Very high79 Ų7940.7 Ų40.737%0.36923%0.23SC..PPolyproline II helixtrans-54.4129.1173.9-170.4-170.9153.700110.7W348 H365E312-W348 HydrophobicContact CG-CH2 4.4Å; E312-W348 HydrophobicContact CG-CZ2 4.4Å; E312-W348 WeakPolarHBondContact OE1-CZ2 3.33Å; E312-H365 IonicContact OE1-CE1 3.25Å; E312-H365 IonicContact OE1-CG 2.62Å; E312-H365 IonicContact OE1-ND1 3.07Å; E312-H365 PolarHBondContact OE1-ND1 2.97Å
313L95.7Very high92.2Very high0 Ų043.5 Ų43.50%025%0.249CC..EExtended strand (participates in β ladder)trans-94.2124.2175.3-58.9-175000109.6L296 A302 P311 W330 H365 L366 P368 Y380 V398L296-L313 HydrophobicContact CD2-CB 4.17Å; L296-L313 HydrophobicContact CD2-CD2 4.23Å; A302-L313 HydrophobicContact CB-CD2 4.17Å; P311-L313 PolarHBondContact O-N 2.99Å; L313-W330 HydrophobicContact CB-CH2 3.75Å; L313-W330 HydrophobicContact CB-CZ3 3.93Å; L313-W330 HydrophobicContact CD1-CZ3 4.28Å; L313-H365 WeakPolarHBondContact O-CA 3.38Å; L313-L366 HydrophobicContact CB-CB 4.34Å; L313-L366 HydrophobicContact CD1-CD2 4.32Å; L313-L366 PolarHBondContact N-O 3.46Å; L313-L366 PolarHBondContact O-N 3.16Å; L313-P368 HydrophobicContact CD1-CG 4.12Å; L313-P368 HydrophobicContact CG-CG 4.1Å; L313-Y380 HydrophobicContact CD1-CD1 4.21Å; L313-Y380 HydrophobicContact CD1-CD2 3.86Å; L313-Y380 HydrophobicContact CD1-CG 3.62Å; L313-V398 HydrophobicContact CD1-CG1 4Å; L313-V398 HydrophobicContact CD2-CG1 4.12Å
314L96.6Very high92.6Very high45 Ų4538.2 Ų38.224%0.23624%0.243CC..EExtended strand (participates in β ladder)trans-113.4113.8-178.7-164.2162.4000109.8L296 M297 L316L296-L314 CarbonylContact C-O 3.6Å; L296-L314 WeakPolarHBondContact CA-O 3.4Å; M297-L314 HydrophobicContact CB-CB 4.29Å; M297-L314 PolarHBondContact N-O 2.98Å; M297-L314 PolarHBondContact O-N 2.88Å; L314-L316 HydrophobicContact CD2-CB 4.48Å; L314-L316 HydrophobicContact CD2-CD1 4.41Å; L314-L316 HydrophobicContact CD2-CD2 3.21Å; L314-L316 HydrophobicContact CD2-CG 3.42Å; L314-L316 VanDerWaalsContact CD2-CG 3.42Å
315C97.2Very high92.8Very high0 Ų040.6 Ų40.60%027%0.268CS..EExtended strand (participates in β ladder)trans-93106.7174.7-174.10000110.4S295 W330 S363 G364 C382S295-C315 CarbonylContact O-C 3.49Å; C315-W330 HydrophobicContact CB-CH2 3.64Å; C315-W330 HydrophobicContact CB-CZ2 3.56Å; C315-S363 CarbonylContact O-C 3.43Å; C315-S363 WeakPolarHBondContact O-CA 3.38Å; C315-G364 PolarHBondContact N-O 3.1Å; C315-G364 PolarHBondContact O-N 3.2Å; C315-C382 HydrophobicContact CB-CB 3.59Å; C315-C382 WeakPolarHBondContact CB-SG 3.27Å; C315-C382 WeakPolarHBondContact SG-CB 3.24Å; C315-C382 CovalentContact SG-SG 2.03Å; C315-C382 PolarHBondContact SG-SG 3.36Å
316L97.3Very high93.3Very high40 Ų4040.9 Ų40.921%0.20927%0.266CS..EExtended strand (participates in β ladder)trans-85.4115.6177.6-65169.1000110V294 S295 M297 L314V294-L316 WeakPolarHBondContact CA-O 3.45Å; S295-L316 PolarHBondContact N-O 2.69Å; S295-L316 PolarHBondContact O-N 2.85Å; S295-L316 WeakPolarHBondContact OG-CB 3.32Å; M297-L316 HydrophobicContact CE-CD1 4.39Å; M297-L316 HydrophobicContact CG-CD1 3.98Å; L314-L316 HydrophobicContact CD2-CB 4.48Å; L314-L316 HydrophobicContact CD2-CD1 4.41Å; L314-L316 HydrophobicContact CD2-CD2 3.21Å; L314-L316 HydrophobicContact CD2-CG 3.42Å; L314-L316 VanDerWaalsContact CD2-CG 3.42Å
317V97.7Very high93.8Very high1 Ų143.2 Ų43.21%0.00627%0.271CS..EExtended strand (participates in β ladder)trans-107.696.3174.7-169.40000108.4P292 F320 L326 S361 L362 I384P292-V317 HydrophobicContact CB-CG1 3.5Å; P292-V317 HydrophobicContact CG-CG1 4.39Å; V317-F320 HydrophobicContact CB-CE1 4.42Å; V317-F320 HydrophobicContact CG1-CD1 3.77Å; V317-F320 HydrophobicContact CG1-CE1 3.92Å; V317-L326 HydrophobicContact CG1-CD1 3.88Å; V317-L326 HydrophobicContact CG1-CD2 4.29Å; V317-S361 VanDerWaalsContact O-CA 3.27Å; V317-S361 WeakPolarHBondContact O-CA 3.05Å; V317-S361 WeakPolarHBondContact O-CB 3.02Å; V317-L362 WeakPolarHBondContact CA-O 3.24Å; V317-L362 WeakPolarHBondContact CB-O 3.07Å; V317-L362 PolarHBondContact N-O 3.33Å; V317-L362 PolarHBondContact O-N 2.82Å; V317-I384 HydrophobicContact CG1-CG2 4.29Å; V317-I384 HydrophobicContact CG2-CD1 3.53Å; V317-I384 HydrophobicContact CG2-CG1 4Å
318S96.3Very high94.3Very high32 Ų3241.5 Ų41.522%0.22425%0.248CC..EExtended strand (participates in β ladder)trans-104.2142.5-167.9-55.60000113K293 S361K293-S318 PolarHBondContact N-O 2.99Å; K293-S318 PolarHBondContact O-N 2.91Å; S318-S361 WeakPolarHBondContact CA-OG 3.43Å
319H96.1Very high94.7Very high62 Ų6240.4 Ų40.429%0.28724%0.243SC..EExtended strand (participates in β ladder)trans46.963.8171.9-67.6-74.5000115.2K290 H355 D357 S359 V360 S361K290-H319 HydrophobicContact CD-CB 4.46Å; K290-H319 WeakPolarHBondContact CD-O 3.43Å; K290-H319 WeakPolarHBondContact CE-O 3.31Å; K290-H319 WeakPolarHBondContact CG-O 3.33Å; H319-H355 AromaticContact CE1-CD2 3.78Å; H319-H355 AromaticContact CE1-CE1 3.43Å; H319-H355 PolarHBondContact CE1-CE1 3.37Å; H319-H355 VanDerWaalsContact CE1-CE1 3.43Å; H319-H355 AromaticContact CE1-CG 3.57Å; H319-H355 AromaticContact CE1-ND1 3.36Å; H319-H355 PolarHBondContact CE1-ND1 2.96Å; H319-H355 AromaticContact CE1-NE2 3.69Å; H319-H355 AromaticContact ND1-CD2 3.64Å; H319-H355 AromaticContact ND1-CG 3.74Å; H319-H355 AromaticContact ND1-ND1 3.99Å; H319-H355 AromaticContact ND1-NE2 3.82Å; H319-H355 AromaticContact NE2-CE1 3.86Å; H319-D357 IonicContact ND1-OD2 3.97Å; H319-S359 PolarHBondContact ND1-OG 3.25Å; H319-V360 WeakPolarHBondContact CA-O 3.48Å; H319-V360 PolarHBondContact N-O 2.66Å; H319-S361 PolarHBondContact N-OG 2.97Å
320F96.6Very high95.1Very high1 Ų138.6 Ų38.60%0.00423%0.226CC..EExtended strand (participates in β ladder)trans-116.6162.6175.970-86.5000112.5K290 P292 V317 P322 L326 L352 V360 L362 H386K290-F320 WeakPolarHBondContact O-CA 3.33Å; P292-F320 HydrophobicContact CB-CB 3.73Å; P292-F320 HydrophobicContact CB-CD1 4.44Å; P292-F320 HydrophobicContact CB-CG 4.32Å; P292-F320 HydrophobicContact CG-CB 4.38Å; V317-F320 HydrophobicContact CB-CE1 4.42Å; V317-F320 HydrophobicContact CG1-CD1 3.77Å; V317-F320 HydrophobicContact CG1-CE1 3.92Å; F320-P322 WeakPolarHBondContact CD2-O 3.45Å; F320-L326 HydrophobicContact CD1-CD1 4.46Å; F320-L326 HydrophobicContact CD2-CD1 3.95Å; F320-L326 HydrophobicContact CE1-CD1 4.3Å; F320-L326 HydrophobicContact CE1-CD2 4.14Å; F320-L326 HydrophobicContact CE2-CB 4.01Å; F320-L326 HydrophobicContact CE2-CD1 3.79Å; F320-L326 HydrophobicContact CE2-CD2 4.16Å; F320-L326 HydrophobicContact CE2-CG 4.19Å; F320-L326 HydrophobicContact CG-CD1 4.3Å; F320-L326 HydrophobicContact CZ-CB 4.35Å; F320-L326 HydrophobicContact CZ-CD1 3.99Å; F320-L326 HydrophobicContact CZ-CD2 3.67Å; F320-L326 HydrophobicContact CZ-CG 4.2Å; F320-L352 HydrophobicContact CZ-CD1 4.02Å; F320-V360 HydrophobicContact CD1-CG2 4.31Å; F320-V360 VanDerWaalsContact CD1-O 3.29Å; F320-V360 WeakPolarHBondContact CD1-O 3.45Å; F320-V360 HydrophobicContact CD2-CG2 3.88Å; F320-V360 HydrophobicContact CE1-CG2 4.04Å; F320-V360 HydrophobicContact CE2-CG2 3.56Å; F320-V360 HydrophobicContact CG-CG2 4.24Å; F320-V360 HydrophobicContact CZ-CG2 3.63Å; F320-V360 PolarHBondContact N-O 3.05Å; F320-V360 VanDerWaalsContact O-CG2 3.28Å; F320-V360 WeakPolarHBondContact O-CG2 3.3Å; F320-V360 PolarHBondContact O-N 3.15Å; F320-L362 HydrophobicContact CE1-CB 4.17Å; F320-L362 HydrophobicContact CZ-CB 4.34Å; F320-H386 AromaticContact CD2-CD2 3.95Å; F320-H386 AromaticContact CD2-NE2 3.7Å
321Y96.6Very high95.3Very high36 Ų3639.4 Ų39.414%0.14123%0.23CC..BIsolated β-bridgetrans-161.3141.7175-166.9-87.5000109.3L172 P263 E266 V288 Y289 K290 H386L172-Y321 HydrophobicContact CD1-CG 4.48Å; P263-Y321 HydrophobicContact CB-CD2 4.36Å; P263-Y321 HydrophobicContact CB-CE1 4.4Å; P263-Y321 HydrophobicContact CB-CE2 3.68Å; P263-Y321 HydrophobicContact CG-CD2 3.95Å; P263-Y321 HydrophobicContact CG-CE2 3.78Å; P263-Y321 HydrophobicContact CG-CG 4.41Å; E266-Y321 VanDerWaalsContact OE2-CE1 3.31Å; E266-Y321 WeakPolarHBondContact OE2-CE1 3.33Å; E266-Y321 PolarHBondContact OE2-OH 3.06Å; V288-Y321 HydrophobicContact CB-CD1 4.14Å; V288-Y321 HydrophobicContact CB-CE1 4.08Å; V288-Y321 HydrophobicContact CG1-CD1 4.13Å; V288-Y321 HydrophobicContact CG1-CE1 4.47Å; V288-Y321 WeakPolarHBondContact O-CD1 3.2Å; Y289-Y321 CarbonylContact C-O 3.55Å; Y289-Y321 WeakPolarHBondContact CA-O 3.4Å; K290-Y321 PolarHBondContact N-O 3.45Å; K290-Y321 PolarHBondContact O-N 2.98Å; K290-Y321 VanDerWaalsContact O-N 3.1Å; Y321-H386 PolarHBondContact O-CE1 3.03Å; Y321-H386 VanDerWaalsContact O-CE1 3.29Å
322P95.9Very high95.4Very high34 Ų3437.4 Ų37.422%0.22122%0.216CC..  cis-70.5167.2-0.630.5-36.8000113.5F320 G324 H386F320-P322 WeakPolarHBondContact CD2-O 3.45Å; P322-G324 VanDerWaalsContact C-N 3.33Å; P322-H386 PolarHBondContact O-NE2 2.77Å
323P93.8Very high95.2Very high60 Ų6035.7 Ų35.739%0.3921%0.206SC..SBendtrans-70.4-29175.728-35.3000113.2L352 V360P323-L352 HydrophobicContact CB-CD2 3.77Å; P323-V360 HydrophobicContact CB-CG2 3.98Å
324G93.5Very high94.6Very high45 Ų4538.3 Ų38.346%0.46423%0.233SC..THydrogen-bonded Turntrans-78.3150.5-179.100000113.4P322 L326P322-G324 VanDerWaalsContact C-N 3.33Å; G324-L326 VanDerWaalsContact C-N 3.33Å
325G92.2Very high93.4Very high52 Ų5236.7 Ų36.754%0.53623%0.227SC..THydrogen-bonded Turntrans78.212.817800000114.9
326L95.6Very high91.6Very high30 Ų3041.1 Ų41.116%0.15726%0.256CS..  trans-82.4125170.6-169.995.8000110.4V317 F320 G324 V328 L362 I384 H385 H386V317-L326 HydrophobicContact CG1-CD1 3.88Å; V317-L326 HydrophobicContact CG1-CD2 4.29Å; F320-L326 HydrophobicContact CD1-CD1 4.46Å; F320-L326 HydrophobicContact CD2-CD1 3.95Å; F320-L326 HydrophobicContact CE1-CD1 4.3Å; F320-L326 HydrophobicContact CE1-CD2 4.14Å; F320-L326 HydrophobicContact CE2-CB 4.01Å; F320-L326 HydrophobicContact CE2-CD1 3.79Å; F320-L326 HydrophobicContact CE2-CD2 4.16Å; F320-L326 HydrophobicContact CE2-CG 4.19Å; F320-L326 HydrophobicContact CG-CD1 4.3Å; F320-L326 HydrophobicContact CZ-CB 4.35Å; F320-L326 HydrophobicContact CZ-CD1 3.99Å; F320-L326 HydrophobicContact CZ-CD2 3.67Å; F320-L326 HydrophobicContact CZ-CG 4.2Å; G324-L326 VanDerWaalsContact C-N 3.33Å; L326-V328 HydrophobicContact CD2-CG2 4.34Å; L326-L362 HydrophobicContact CD2-CB 4.38Å; L326-L362 HydrophobicContact CD2-CD1 4.47Å; L326-L362 HydrophobicContact CD2-CD2 3.9Å; L326-L362 HydrophobicContact CD2-CG 4.49Å; L326-I384 HydrophobicContact CD1-CG2 3.78Å; L326-I384 HydrophobicContact CG-CG2 4.47Å; L326-H385 WeakPolarHBondContact CA-O 3.39Å; L326-H386 HydrophobicContact CD1-CB 4.12Å
327E95.1Very high89.8Confident116 Ų11641.2 Ų41.254%0.54227%0.266SS..EExtended strand (participates in β ladder)trans-124.8139173-58.7179.5171.100110.6I384 H385E327-I384 WeakPolarHBondContact O-CA 3.23Å; E327-H385 HydrophobicContact CB-CB 4.26Å; E327-H385 PolarHBondContact N-O 2.82Å; E327-H385 PolarHBondContact O-N 2.87Å
328V96.2Very high88Confident23 Ų2344.4 Ų44.414%0.13930%0.299CS..EExtended strand (participates in β ladder)trans-114.6113.2178.6-173.80000108.7L326 L349 L362 I384L326-V328 HydrophobicContact CD2-CG2 4.34Å; V328-L349 HydrophobicContact CB-CD2 3.98Å; V328-L349 HydrophobicContact CG2-CD2 3.88Å; V328-L362 HydrophobicContact CG2-CD2 3.95Å; V328-I384 HydrophobicContact CB-CD1 4.11Å; V328-I384 HydrophobicContact CG1-CD1 3.84Å; V328-I384 HydrophobicContact CG2-CD1 3.81Å
329E95.4Very high86.7Confident83 Ų8353.1 Ų53.139%0.38833%0.327SS..EExtended strand (participates in β ladder)trans-109.9143.7175.8-62.2-171.4138.400110.2C382 R383 H385E329-C382 CarbonylContact O-C 3.58Å; E329-C382 WeakPolarHBondContact O-CA 3.46Å; E329-R383 HydrophobicContact CB-CB 4.26Å; E329-R383 PolarHBondContact N-O 2.96Å; E329-R383 PolarHBondContact O-N 2.97Å; E329-H385 IonicContact OE2-CD2 2.93Å; E329-H385 IonicContact OE2-CE1 3.08Å; E329-H385 IonicContact OE2-NE2 2.81Å; E329-H385 PolarHBondContact OE2-NE2 3.07Å
330W95.5Very high86Confident10 Ų1052.8 Ų52.84%0.03833%0.332CS..EExtended strand (participates in β ladder)trans-115.3134.1176.5-71.2100.6000110L296 L313 C315 A343 L366 A381 C382L296-W330 HydrophobicContact CD1-CZ3 4.07Å; L296-W330 HydrophobicContact CG-CH2 4.48Å; L296-W330 HydrophobicContact CG-CZ3 4.42Å; L313-W330 HydrophobicContact CB-CH2 3.75Å; L313-W330 HydrophobicContact CB-CZ3 3.93Å; L313-W330 HydrophobicContact CD1-CZ3 4.28Å; C315-W330 HydrophobicContact CB-CH2 3.64Å; C315-W330 HydrophobicContact CB-CZ2 3.56Å; W330-A343 HydrophobicContact CB-CB 3.82Å; W330-A343 PolarHBondContact O-N 2.93Å; W330-L366 HydrophobicContact CB-CD2 4Å; W330-L366 HydrophobicContact CD2-CB 3.69Å; W330-L366 HydrophobicContact CD2-CD2 3.66Å; W330-L366 HydrophobicContact CD2-CG 4.21Å; W330-L366 VanDerWaalsContact CE2-CB 3.48Å; W330-L366 HydrophobicContact CE3-CB 4.08Å; W330-L366 HydrophobicContact CE3-CD2 3.56Å; W330-L366 HydrophobicContact CE3-CG 4.45Å; W330-L366 HydrophobicContact CG-CB 4.12Å; W330-L366 HydrophobicContact CG-CD1 4.36Å; W330-L366 HydrophobicContact CG-CD2 3.88Å; W330-L366 HydrophobicContact CG-CG 4.35Å; W330-L366 HydrophobicContact CH2-CB 4.05Å; W330-L366 HydrophobicContact CZ2-CB 3.68Å; W330-L366 HydrophobicContact CZ3-CB 4.24Å; W330-L366 HydrophobicContact CZ3-CD2 4.15Å; W330-A381 WeakPolarHBondContact CA-O 3.32Å; W330-C382 HydrophobicContact CD2-CB 4.35Å; W330-C382 HydrophobicContact CE3-CB 3.91Å; W330-C382 HydrophobicContact CH2-CB 4Å; W330-C382 HydrophobicContact CZ2-CB 4.38Å; W330-C382 HydrophobicContact CZ3-CB 3.74Å
331E93.9Very high85.6Confident18 Ų1857.3 Ų57.38%0.08435%0.353CS..EExtended strand (participates in β ladder)trans-132.1149-174.3-57.1-179.1157.800111.2R333 S340 Q341 Y380 A381 R383E331-R333 IonicContact OE2-CZ 3.68Å; E331-R333 IonicContact OE2-NE 3.34Å; E331-R333 PolarHBondContact OE2-NE 2.9Å; E331-R333 IonicContact OE2-NH2 3.78Å; E331-R333 PolarHBondContact OE2-NH2 2.88Å; E331-S340 PolarHBondContact OE2-OG 3.01Å; E331-Q341 CarbonylContact C-O 3.57Å; E331-Q341 WeakPolarHBondContact CA-O 3.44Å; E331-Q341 WeakPolarHBondContact CB-O 3.28Å; E331-Y380 CarbonylContact O-C 3.57Å; E331-Y380 WeakPolarHBondContact O-CA 3.37Å; E331-A381 HydrophobicContact CB-CB 4.37Å; E331-A381 PolarHBondContact N-O 2.86Å; E331-A381 PolarHBondContact O-N 2.91Å; E331-R383 VanDerWaalsContact CD-NE 3.3Å; E331-R383 IonicContact OE1-CZ 3.79Å; E331-R383 IonicContact OE1-NE 2.83Å; E331-R383 PolarHBondContact OE1-NE 2.84Å; E331-R383 IonicContact OE1-NH2 3.84Å; E331-R383 PolarHBondContact OE1-NH2 2.03Å; E331-R383 IonicContact OE2-CZ 2.82Å; E331-R383 VanDerWaalsContact OE2-CZ 3.25Å; E331-R383 IonicContact OE2-NE 3.33Å; E331-R383 PolarHBondContact OE2-NE 2.81Å; E331-R383 IonicContact OE2-NH2 3.53Å; E331-R383 PolarHBondContact OE2-NH2 2.86Å; E331-R383 VanDerWaalsContact OE2-NH2 3.07Å
332L91.4Very high85.3Confident18 Ų1862.5 Ų62.59%0.09438%0.376CS..EExtended strand (participates in β ladder)trans-113.6122.5168.4-17564.4000108.5Q341 A378 Y380L332-Q341 PolarHBondContact N-O 3.47Å; L332-Q341 PolarHBondContact O-N 3.38Å; L332-A378 HydrophobicContact CD1-CB 3.76Å; L332-A378 HydrophobicContact CG-CB 4.37Å; L332-Y380 HydrophobicContact CB-CE1 4.49Å; L332-Y380 HydrophobicContact CD1-CD1 3.98Å; L332-Y380 HydrophobicContact CD1-CD2 4.22Å; L332-Y380 HydrophobicContact CD1-CE1 3.87Å; L332-Y380 HydrophobicContact CD1-CE2 4.12Å; L332-Y380 HydrophobicContact CD1-CG 4.15Å
333R90.4Very high85Confident44 Ų4461.3 Ų61.317%0.16637%0.369CS..EExtended strand (participates in β ladder)trans-114.9139.5-176.6-63.3179.3-179.21733.1110E331 G335 S340 A378 R379 E397E331-R333 IonicContact OE2-CZ 3.68Å; E331-R333 IonicContact OE2-NE 3.34Å; E331-R333 PolarHBondContact OE2-NE 2.9Å; E331-R333 IonicContact OE2-NH2 3.78Å; E331-R333 PolarHBondContact OE2-NH2 2.88Å; R333-G335 VanDerWaalsContact C-N 3.3Å; R333-G335 PolarHBondContact O-N 2.86Å; R333-S340 WeakPolarHBondContact CG-OG 3.47Å; R333-S340 PolarHBondContact NE-OG 3.05Å; R333-A378 WeakPolarHBondContact O-CA 3.22Å; R333-R379 HydrophobicContact CB-CB 4.4Å; R333-R379 PolarHBondContact N-O 2.79Å; R333-R379 PolarHBondContact O-N 2.85Å; R333-E397 IonicContact NH1-OE2 3.26Å
334G82.9Confident84.9Confident54 Ų5465.5 Ų65.556%0.55738%0.384SS*.SBendtrans74.816.8177.800000114.7
335G71.1Confident84.8Confident12 Ų1265 Ų6512%0.12438%0.378CS..SBendtrans-80-176.2168.600000112.8R333 G337 G338R333-G335 VanDerWaalsContact C-N 3.3Å; R333-G335 PolarHBondContact O-N 2.86Å; G335-G337 PolarHBondContact O-N 3.35Å; G335-G338 PolarHBondContact O-N 2.89Å
336P60.8Low84.9Confident93 Ų9369.2 Ų69.260%0.60438%0.384SS*.THydrogen-bonded Turntrans-57.3-13.6-172.817.7-29.9000115.4
337G59.1Low84.9Confident41 Ų4174.2 Ų74.242%0.42340%0.401SS..THydrogen-bonded Turntrans-931.1175.600000117G335 R339G335-G337 PolarHBondContact O-N 3.35Å; G337-R339 PolarHBondContact O-N 2.8Å
338G60Low85Confident68 Ų6874.1 Ų74.170%0.70140%0.396SS*.SBendtrans66.2-21.2170.700000117.9G335G335-G338 PolarHBondContact O-N 2.89Å
339R69.6Low85Confident216 Ų21677.9 Ų77.982%0.81541%0.414SS*.SBendtrans-107162.7172.8-76.5-176.9176.8-173.8-0.1111.2G337 Q341G337-R339 PolarHBondContact O-N 2.8Å; R339-Q341 PolarHBondContact O-N 3.37Å; R339-Q341 VanDerWaalsContact O-N 3.16Å
340S80.4Confident85.1Confident55 Ų5575.2 Ų75.239%0.38541%0.405SS..  trans-60.5114.6170.3-162.70000109.3E331 R333E331-S340 PolarHBondContact OE2-OG 3.01Å; R333-S340 WeakPolarHBondContact CG-OG 3.47Å; R333-S340 PolarHBondContact NE-OG 3.05Å
341Q87.6Confident85Confident96 Ų9678.7 Ų78.745%0.44944%0.436SS..EExtended strand (participates in β ladder)trans-107.2158.8178.3-68.8-177.2-14.500110E331 L332 R339 A343E331-Q341 CarbonylContact C-O 3.57Å; E331-Q341 WeakPolarHBondContact CA-O 3.44Å; E331-Q341 WeakPolarHBondContact CB-O 3.28Å; L332-Q341 PolarHBondContact N-O 3.47Å; L332-Q341 PolarHBondContact O-N 3.38Å; R339-Q341 PolarHBondContact O-N 3.37Å; R339-Q341 VanDerWaalsContact O-N 3.16Å; Q341-A343 PolarHBondContact O-N 2.88Å
342K90.6Very high85.1Confident145 Ų14580.8 Ų80.863%0.6345%0.447SS*.EExtended strand (participates in β ladder)trans-67.7128.3172.4-171.5172.9-173.9169.50108.9
343A90.7Very high85.4Confident9 Ų985.3 Ų85.37%0.07446%0.463CS..PPolyproline II helixtrans-67.6135.2177.100000110.1W330 Q341 L366 Y380W330-A343 HydrophobicContact CB-CB 3.82Å; W330-A343 PolarHBondContact O-N 2.93Å; Q341-A343 PolarHBondContact O-N 2.88Å; A343-L366 HydrophobicContact CB-CD2 4.07Å; A343-Y380 HydrophobicContact CB-CD1 4.09Å; A343-Y380 HydrophobicContact CB-CE1 4.05Å
344E91.1Very high85.6Confident148 Ų14890 Ų9069%0.69249%0.486SS*.PPolyproline II helixtrans-81.7164.3171.1-63.8-176.1179.300110.6P369E344-P369 HydrophobicContact CB-CG 4.03Å; E344-P369 VanDerWaalsContact O-CD 3.29Å; E344-P369 WeakPolarHBondContact O-CD 3.33Å
345G91.4Very high86.2Confident33 Ų3390.3 Ų90.334%0.3447%0.473SS..SBendtrans120.8176.8179.500000114.3Q367G345-Q367 CarbonylContact C-O 3.54Å; G345-Q367 WeakPolarHBondContact CA-O 3.3Å
346Q94Very high87.2Confident141 Ų14196 Ų9666%0.65951%0.511SS*.EExtended strand (participates in β ladder)trans-81.3135.5176.2-60.3-59.4-36.700109.5W348 L366 Q367Q346-W348 HydrophobicContact CB-CE3 4.35Å; Q346-W348 HydrophobicContact CB-CZ3 3.93Å; Q346-L366 CarbonylContact O-C 3.55Å; Q346-L366 WeakPolarHBondContact O-CA 3.47Å; Q346-Q367 HydrophobicContact CB-CB 4.22Å; Q346-Q367 PolarHBondContact N-O 2.77Å; Q346-Q367 PolarHBondContact O-N 2.85Å
347R96.3Very high88.7Confident136 Ų13693.6 Ų93.651%0.51349%0.493SS..EExtended strand (participates in β ladder)trans-137.6137.1-17857-172155.6128.99.5111.3H365 L366R347-H365 VanDerWaalsContact CA-O 3.27Å; R347-H365 WeakPolarHBondContact CA-O 3.27Å; R347-L366 HydrophobicContact CB-CD1 4.34Å
348W96.3Very high90.2Very high114 Ų11493 Ų9343%0.43249%0.487SS..EExtended strand (participates in β ladder)trans-148.4162.9178.260.294000110.2E312 Q346 H365 Q367E312-W348 HydrophobicContact CG-CH2 4.4Å; E312-W348 HydrophobicContact CG-CZ2 4.4Å; E312-W348 WeakPolarHBondContact OE1-CZ2 3.33Å; Q346-W348 HydrophobicContact CB-CE3 4.35Å; Q346-W348 HydrophobicContact CB-CZ3 3.93Å; W348-H365 AromaticContact CD1-CD2 3.83Å; W348-H365 AromaticContact CD1-CG 3.83Å; W348-H365 HydrophobicContact CD2-CB 3.73Å; W348-H365 AromaticContact CE2-CG 3.78Å; W348-H365 HydrophobicContact CE3-CB 4.43Å; W348-H365 HydrophobicContact CG-CB 4.01Å; W348-H365 HydrophobicContact CH2-CB 4.32Å; W348-H365 HydrophobicContact CZ2-CB 3.61Å; W348-H365 PolarHBondContact N-O 2.92Å; W348-H365 VanDerWaalsContact NE1-CB 3.27Å; W348-H365 AromaticContact NE1-CD2 3.65Å; W348-H365 AromaticContact NE1-CG 3.28Å; W348-H365 VanDerWaalsContact NE1-CG 3.28Å; W348-H365 AromaticContact NE1-ND1 3.76Å; W348-H365 PolarHBondContact O-N 2.84Å; W348-Q367 HydrophobicContact CH2-CB 4.04Å; W348-Q367 HydrophobicContact CZ3-CB 4.01Å
349L97Very high91.9Very high102 Ų10289.8 Ų89.853%0.53445%0.454SS..EExtended strand (participates in β ladder)trans-115.4142.8178.8-57-177.5000109.5V328 L362V328-L349 HydrophobicContact CB-CD2 3.98Å; V328-L349 HydrophobicContact CG2-CD2 3.88Å; L349-L362 HydrophobicContact CB-CD1 4.34Å; L349-L362 HydrophobicContact CD2-CD2 4.22Å
350S96.3Very high93.2Very high26 Ų2679.6 Ų79.618%0.18242%0.415CS..PPolyproline II helixtrans-71.7161.2170.379.60000111S363S350-S363 PolarHBondContact N-O 3.26Å; S350-S363 PolarHBondContact OG-N 2.61Å; S350-S363 PolarHBondContact OG-O 3.48Å
351A95Very high94Very high84 Ų8477.1 Ų77.169%0.69440%0.398SS*.PPolyproline II helixtrans-60157.6164.400000111.4
352L95.9Very high94.5Very high62 Ų6273.4 Ų73.433%0.32538%0.381SS..PPolyproline II helixtrans-73.3129.9179.7-15868000110.5F320 P323 V360 L362F320-L352 HydrophobicContact CZ-CD1 4.02Å; P323-L352 HydrophobicContact CB-CD2 3.77Å; L352-V360 HydrophobicContact CD1-CB 3.87Å; L352-V360 HydrophobicContact CD1-CG2 3.99Å; L352-V360 HydrophobicContact CD2-CB 3.96Å; L352-V360 HydrophobicContact CD2-CG1 3.78Å; L352-V360 HydrophobicContact CD2-CG2 4.27Å; L352-V360 HydrophobicContact CG-CB 3.81Å; L352-V360 HydrophobicContact CG-CG1 4.06Å; L352-V360 HydrophobicContact CG-CG2 4.35Å; L352-L362 HydrophobicContact CD1-CB 4.21Å
353R96.5Very high94.8Very high112 Ų11266.8 Ų66.842%0.42335%0.353SS..EExtended strand (participates in β ladder)trans-100.2122.1173.7-67.5-169.5-69.6-87.1-2.3109.7V360 S361 S363R353-V360 CarbonylContact O-C 3.57Å; R353-V360 VanDerWaalsContact O-CA 3.25Å; R353-V360 WeakPolarHBondContact O-CA 3.41Å; R353-S361 PolarHBondContact N-O 2.87Å; R353-S361 PolarHBondContact O-N 3.2Å; R353-S363 PolarHBondContact NH2-OG 2.79Å
354H95.6Very high95.1Very high143 Ų14366.3 Ų66.366%0.66235%0.35SS*.EExtended strand (participates in β ladder)trans-90.9138.4177.9-66.8-93000110.9
355H95.5Very high95.4Very high61 Ų6160.6 Ų60.628%0.28232%0.323SS..  trans-106.4160.2176.2-64.3-82.1000111H319 D357 G358 S359 S361H319-H355 AromaticContact CE1-CD2 3.78Å; H319-H355 AromaticContact CE1-CE1 3.43Å; H319-H355 PolarHBondContact CE1-CE1 3.37Å; H319-H355 VanDerWaalsContact CE1-CE1 3.43Å; H319-H355 AromaticContact CE1-CG 3.57Å; H319-H355 AromaticContact CE1-ND1 3.36Å; H319-H355 PolarHBondContact CE1-ND1 2.96Å; H319-H355 AromaticContact CE1-NE2 3.69Å; H319-H355 AromaticContact ND1-CD2 3.64Å; H319-H355 AromaticContact ND1-CG 3.74Å; H319-H355 AromaticContact ND1-ND1 3.99Å; H319-H355 AromaticContact ND1-NE2 3.82Å; H319-H355 AromaticContact NE2-CE1 3.86Å; H355-D357 WeakPolarHBondContact CB-OD1 3.36Å; H355-D357 PolarHBondContact O-N 2.99Å; H355-G358 PolarHBondContact O-N 3.17Å; H355-S359 WeakPolarHBondContact CB-O 3.19Å; H355-S359 PolarHBondContact CD2-O 2.8Å; H355-S359 PolarHBondContact N-O 2.82Å; H355-S361 WeakPolarHBondContact NE2-CB 3.29Å; H355-S361 PolarHBondContact NE2-OG 3.01Å
356S92.6Very high95.6Very high131 Ų13159 Ų5992%0.91631%0.306SS*.THydrogen-bonded Turntrans-66-24.4178.153.10000113.7G358S356-G358 PolarHBondContact O-N 2.89Å
357D91.1Very high95.7Very high43 Ų4355.3 Ų55.323%0.2329%0.289CS..THydrogen-bonded Turntrans-76.61.4172.773.7-15.4000112.9L172 K290 H319 H355 S359L172-D357 HydrophobicContact CD2-CB 4.3Å; K290-D357 IonicContact NZ-OD2 3.77Å; K290-D357 PolarHBondContact NZ-OD2 3.31Å; H319-D357 IonicContact ND1-OD2 3.97Å; H355-D357 WeakPolarHBondContact CB-OD1 3.36Å; H355-D357 PolarHBondContact O-N 2.99Å; D357-S359 VanDerWaalsContact CG-OG 3.22Å; D357-S359 PolarHBondContact O-N 2.71Å; D357-S359 VanDerWaalsContact OD1-CB 3.27Å; D357-S359 WeakPolarHBondContact OD1-CB 3.36Å; D357-S359 PolarHBondContact OD1-N 3.31Å; D357-S359 PolarHBondContact OD1-OG 2.68Å; D357-S359 PolarHBondContact OD2-OG 2.99Å; D357-S359 VanDerWaalsContact OD2-OG 3.11Å
358G91.8Very high95.5Very high28 Ų2849 Ų4929%0.28927%0.266SS..SBendtrans79.1-4.8-177.300000114.4H355 S356H355-G358 PolarHBondContact O-N 3.17Å; S356-G358 PolarHBondContact O-N 2.89Å
359S95.4Very high95.4Very high0 Ų045.3 Ų45.30%026%0.256CS..  trans-72.5163.9171.871.20000111.3H319 H355 D357H319-S359 PolarHBondContact ND1-OG 3.25Å; H355-S359 WeakPolarHBondContact CB-O 3.19Å; H355-S359 PolarHBondContact CD2-O 2.8Å; H355-S359 PolarHBondContact N-O 2.82Å; D357-S359 VanDerWaalsContact CG-OG 3.22Å; D357-S359 PolarHBondContact O-N 2.71Å; D357-S359 VanDerWaalsContact OD1-CB 3.27Å; D357-S359 WeakPolarHBondContact OD1-CB 3.36Å; D357-S359 PolarHBondContact OD1-N 3.31Å; D357-S359 PolarHBondContact OD1-OG 2.68Å; D357-S359 PolarHBondContact OD2-OG 2.99Å; D357-S359 VanDerWaalsContact OD2-OG 3.11Å
360V96.8Very high95.1Very high2 Ų244.3 Ų44.31%0.01226%0.256CS..EExtended strand (participates in β ladder)trans-122.7162.9179.6-64.80000111.6H319 F320 P323 L352 R353H319-V360 WeakPolarHBondContact CA-O 3.48Å; H319-V360 PolarHBondContact N-O 2.66Å; F320-V360 HydrophobicContact CD1-CG2 4.31Å; F320-V360 VanDerWaalsContact CD1-O 3.29Å; F320-V360 WeakPolarHBondContact CD1-O 3.45Å; F320-V360 HydrophobicContact CD2-CG2 3.88Å; F320-V360 HydrophobicContact CE1-CG2 4.04Å; F320-V360 HydrophobicContact CE2-CG2 3.56Å; F320-V360 HydrophobicContact CG-CG2 4.24Å; F320-V360 HydrophobicContact CZ-CG2 3.63Å; F320-V360 PolarHBondContact N-O 3.05Å; F320-V360 VanDerWaalsContact O-CG2 3.28Å; F320-V360 WeakPolarHBondContact O-CG2 3.3Å; F320-V360 PolarHBondContact O-N 3.15Å; P323-V360 HydrophobicContact CB-CG2 3.98Å; L352-V360 HydrophobicContact CD1-CB 3.87Å; L352-V360 HydrophobicContact CD1-CG2 3.99Å; L352-V360 HydrophobicContact CD2-CB 3.96Å; L352-V360 HydrophobicContact CD2-CG1 3.78Å; L352-V360 HydrophobicContact CD2-CG2 4.27Å; L352-V360 HydrophobicContact CG-CB 3.81Å; L352-V360 HydrophobicContact CG-CG1 4.06Å; L352-V360 HydrophobicContact CG-CG2 4.35Å; R353-V360 CarbonylContact O-C 3.57Å; R353-V360 VanDerWaalsContact O-CA 3.25Å; R353-V360 WeakPolarHBondContact O-CA 3.41Å
361S97.4Very high94.7Very high3 Ų343.1 Ų43.12%0.02125%0.247CC..EExtended strand (participates in β ladder)trans-142.6150.3174.7-620000111.4V317 S318 H319 R353 H355V317-S361 VanDerWaalsContact O-CA 3.27Å; V317-S361 WeakPolarHBondContact O-CA 3.05Å; V317-S361 WeakPolarHBondContact O-CB 3.02Å; S318-S361 WeakPolarHBondContact CA-OG 3.43Å; H319-S361 PolarHBondContact N-OG 2.97Å; R353-S361 PolarHBondContact N-O 2.87Å; R353-S361 PolarHBondContact O-N 3.2Å; H355-S361 WeakPolarHBondContact NE2-CB 3.29Å; H355-S361 PolarHBondContact NE2-OG 3.01Å
362L97Very high94.2Very high19 Ų1942.4 Ų42.410%0.09924%0.235CC..EExtended strand (participates in β ladder)trans-143.8149.1-177.8174142.5000108.8V317 F320 L326 V328 L349 L352V317-L362 WeakPolarHBondContact CA-O 3.24Å; V317-L362 WeakPolarHBondContact CB-O 3.07Å; V317-L362 PolarHBondContact N-O 3.33Å; V317-L362 PolarHBondContact O-N 2.82Å; F320-L362 HydrophobicContact CE1-CB 4.17Å; F320-L362 HydrophobicContact CZ-CB 4.34Å; L326-L362 HydrophobicContact CD2-CB 4.38Å; L326-L362 HydrophobicContact CD2-CD1 4.47Å; L326-L362 HydrophobicContact CD2-CD2 3.9Å; L326-L362 HydrophobicContact CD2-CG 4.49Å; V328-L362 HydrophobicContact CG2-CD2 3.95Å; L349-L362 HydrophobicContact CB-CD1 4.34Å; L349-L362 HydrophobicContact CD2-CD2 4.22Å; L352-L362 HydrophobicContact CD1-CB 4.21Å
363S96.6Very high93.5Very high5 Ų543 Ų434%0.03524%0.241CC..EExtended strand (participates in β ladder)trans-114.2127.3173.2-590000109.1C315 S350 R353 H365C315-S363 CarbonylContact O-C 3.43Å; C315-S363 WeakPolarHBondContact O-CA 3.38Å; S350-S363 PolarHBondContact N-O 3.26Å; S350-S363 PolarHBondContact OG-N 2.61Å; S350-S363 PolarHBondContact OG-O 3.48Å; R353-S363 PolarHBondContact NH2-OG 2.79Å; S363-H365 PolarHBondContact O-CD2 2.86Å
364G96.9Very high92.8Very high0 Ų044.4 Ų44.40%025%0.252CS..EExtended strand (participates in β ladder)trans-95137.4167.500000109.8C315C315-G364 PolarHBondContact N-O 3.1Å; C315-G364 PolarHBondContact O-N 3.2Å
365H97.3Very high92.1Very high27 Ų2739.3 Ų39.313%0.12523%0.229CC..EExtended strand (participates in β ladder)trans-118.5140.2-177.8-62.2-104.5000109.4E312 L313 R347 W348 S363E312-H365 IonicContact OE1-CE1 3.25Å; E312-H365 IonicContact OE1-CG 2.62Å; E312-H365 IonicContact OE1-ND1 3.07Å; E312-H365 PolarHBondContact OE1-ND1 2.97Å; L313-H365 WeakPolarHBondContact O-CA 3.38Å; R347-H365 VanDerWaalsContact CA-O 3.27Å; R347-H365 WeakPolarHBondContact CA-O 3.27Å; W348-H365 AromaticContact CD1-CD2 3.83Å; W348-H365 AromaticContact CD1-CG 3.83Å; W348-H365 HydrophobicContact CD2-CB 3.73Å; W348-H365 AromaticContact CE2-CG 3.78Å; W348-H365 HydrophobicContact CE3-CB 4.43Å; W348-H365 HydrophobicContact CG-CB 4.01Å; W348-H365 HydrophobicContact CH2-CB 4.32Å; W348-H365 HydrophobicContact CZ2-CB 3.61Å; W348-H365 PolarHBondContact N-O 2.92Å; W348-H365 VanDerWaalsContact NE1-CB 3.27Å; W348-H365 AromaticContact NE1-CD2 3.65Å; W348-H365 AromaticContact NE1-CG 3.28Å; W348-H365 VanDerWaalsContact NE1-CG 3.28Å; W348-H365 AromaticContact NE1-ND1 3.76Å; W348-H365 PolarHBondContact O-N 2.84Å; S363-H365 PolarHBondContact O-CD2 2.86Å
366L96.8Very high91.7Very high0 Ų039.5 Ų39.50%023%0.23CC..EExtended strand (participates in β ladder)trans-135.2123173.4175.270.8000108.9L313 W330 A343 Q346 R347 P368 Y380L313-L366 HydrophobicContact CB-CB 4.34Å; L313-L366 HydrophobicContact CD1-CD2 4.32Å; L313-L366 PolarHBondContact N-O 3.46Å; L313-L366 PolarHBondContact O-N 3.16Å; W330-L366 HydrophobicContact CB-CD2 4Å; W330-L366 HydrophobicContact CD2-CB 3.69Å; W330-L366 HydrophobicContact CD2-CD2 3.66Å; W330-L366 HydrophobicContact CD2-CG 4.21Å; W330-L366 VanDerWaalsContact CE2-CB 3.48Å; W330-L366 HydrophobicContact CE3-CB 4.08Å; W330-L366 HydrophobicContact CE3-CD2 3.56Å; W330-L366 HydrophobicContact CE3-CG 4.45Å; W330-L366 HydrophobicContact CG-CB 4.12Å; W330-L366 HydrophobicContact CG-CD1 4.36Å; W330-L366 HydrophobicContact CG-CD2 3.88Å; W330-L366 HydrophobicContact CG-CG 4.35Å; W330-L366 HydrophobicContact CH2-CB 4.05Å; W330-L366 HydrophobicContact CZ2-CB 3.68Å; W330-L366 HydrophobicContact CZ3-CB 4.24Å; W330-L366 HydrophobicContact CZ3-CD2 4.15Å; A343-L366 HydrophobicContact CB-CD2 4.07Å; Q346-L366 CarbonylContact O-C 3.55Å; Q346-L366 WeakPolarHBondContact O-CA 3.47Å; R347-L366 HydrophobicContact CB-CD1 4.34Å; L366-P368 HydrophobicContact CD2-CG 4.45Å; L366-P368 HydrophobicContact CG-CG 4.36Å; L366-P368 WeakPolarHBondContact O-CD 3.29Å; L366-Y380 HydrophobicContact CD2-CD1 4.11Å; L366-Y380 HydrophobicContact CD2-CE1 4.36Å
367Q95.3Very high91.4Very high64 Ų6435 Ų3530%0.29920%0.204SC..EExtended strand (participates in β ladder)trans-98103.2165.7-172.464.329.600108.2P310 G345 Q346 W348P310-Q367 PolarHBondContact O-NE2 2.82Å; G345-Q367 CarbonylContact C-O 3.54Å; G345-Q367 WeakPolarHBondContact CA-O 3.3Å; Q346-Q367 HydrophobicContact CB-CB 4.22Å; Q346-Q367 PolarHBondContact N-O 2.77Å; Q346-Q367 PolarHBondContact O-N 2.85Å; W348-Q367 HydrophobicContact CH2-CB 4.04Å; W348-Q367 HydrophobicContact CZ3-CB 4.01Å
368P93.3Very high91.3Very high3 Ų333 Ų332%0.01919%0.193CC..PPolyproline II helixtrans-69.2154-178.1-15.431.7000111.6P310 L313 L366 Y380P310-P368 HydrophobicContact CB-CB 4.48Å; P310-P368 HydrophobicContact CB-CG 4.22Å; P310-P368 HydrophobicContact CG-CB 4.18Å; P310-P368 HydrophobicContact CG-CG 4.44Å; L313-P368 HydrophobicContact CD1-CG 4.12Å; L313-P368 HydrophobicContact CG-CG 4.1Å; L366-P368 HydrophobicContact CD2-CG 4.45Å; L366-P368 HydrophobicContact CG-CG 4.36Å; L366-P368 WeakPolarHBondContact O-CD 3.29Å; P368-Y380 HydrophobicContact CB-CE1 4.32Å; P368-Y380 HydrophobicContact CB-CE2 4.39Å
369P92.5Very high91.3Very high36 Ų3636.3 Ų36.323%0.23420%0.197CC..PPolyproline II helixtrans-70.6168.7173.532.3-36.9000111.6P310 E344 V371P310-P369 WeakPolarHBondContact CD-O 3.38Å; E344-P369 HydrophobicContact CB-CG 4.03Å; E344-P369 VanDerWaalsContact O-CD 3.29Å; E344-P369 WeakPolarHBondContact O-CD 3.33Å; P369-V371 PolarHBondContact O-N 2.82Å
370P90.9Very high91.2Very high81 Ų8136.5 Ų36.553%0.52620%0.198SC..PPolyproline II helixtrans-54.2135.5171-26.736.3000113E308E308-P370 WeakPolarHBondContact O-CA 3.38Å
371V88.3Confident91.1Very high1 Ų136.4 Ų36.41%0.00620%0.197CC..PPolyproline II helixtrans-97.4150.4-171.9-64.10000113.1A304 G307 E308 P310 P369 L400 V402A304-V371 HydrophobicContact CB-CG2 3.67Å; G307-V371 PolarHBondContact N-O 3.49Å; E308-V371 PolarHBondContact O-N 3.41Å; E308-V371 VanDerWaalsContact O-N 3.07Å; P310-V371 HydrophobicContact CG-CG1 3.49Å; P310-V371 VanDerWaalsContact CG-CG1 3.49Å; P369-V371 PolarHBondContact O-N 2.82Å; V371-L400 HydrophobicContact CB-CD2 4.17Å; V371-L400 HydrophobicContact CG1-CD1 4.28Å; V371-L400 HydrophobicContact CG1-CD2 3.63Å; V371-V402 HydrophobicContact CB-CG2 4.46Å; V371-V402 HydrophobicContact CG2-CG2 4.01Å
372T84.7Confident91Very high70 Ų7036.2 Ų36.243%0.42920%0.196SC..  trans-105.2164.6172.663.70000111.1E374 Q375T372-E374 PolarHBondContact O-N 2.85Å; T372-Q375 PolarHBondContact O-N 2.8Å; T372-Q375 VanDerWaalsContact O-N 3.11Å
373T81.5Confident90.9Very high75 Ų7538.4 Ų38.446%0.4620%0.203SC..G310 helixtrans-60.2-27.7177.947.60000113.3P306 Q375 H376 L405P306-T373 HydrophobicContact CB-CG2 4.46Å; P306-T373 HydrophobicContact CG-CG2 4.23Å; T373-Q375 PolarHBondContact O-N 2.88Å; T373-H376 WeakPolarHBondContact O-CB 3.46Å; T373-H376 PolarHBondContact O-N 2.85Å; T373-L405 HydrophobicContact CG2-CD1 3.95Å; T373-L405 HydrophobicContact CG2-CG 4.47Å; T373-L405 WeakPolarHBondContact O-CD1 3.2Å
374E81.1Confident90.9Very high140 Ų14038.2 Ų38.265%0.65420%0.202SC*.G310 helixtrans-68.1-17.6177.6-60.2-179.2-175.200113.7T372T372-E374 PolarHBondContact O-N 2.85Å
375Q82.5Confident90.9Very high36 Ų3640.2 Ų40.217%0.16821%0.211CC..G310 helixtrans-92.5-0.5-179.4-63.6177.1-16.100112.8T372 T373 G377 A378 L400T372-Q375 PolarHBondContact O-N 2.8Å; T372-Q375 VanDerWaalsContact O-N 3.11Å; T373-Q375 PolarHBondContact O-N 2.88Å; Q375-G377 PolarHBondContact O-N 2.65Å; Q375-A378 WeakPolarHBondContact O-CB 3.43Å; Q375-A378 PolarHBondContact O-N 3.43Å; Q375-L400 HydrophobicContact CB-CD2 3.92Å
376H85.6Confident90.9Very high65 Ų6539.5 Ų39.530%0.30121%0.208SC..THydrogen-bonded Turntrans-59.3131.3174.7177.888.9000111.2T373 A378 E401 V402 L405T373-H376 WeakPolarHBondContact O-CB 3.46Å; T373-H376 PolarHBondContact O-N 2.85Å; H376-A378 PolarHBondContact O-N 2.85Å; H376-E401 IonicContact CE1-OE2 2.94Å; H376-E401 PolarHBondContact CE1-OE2 2.99Å; H376-E401 IonicContact ND1-OE2 3.58Å; H376-E401 IonicContact NE2-OE2 2.79Å; H376-V402 HydrophobicContact CB-CB 4.13Å; H376-V402 HydrophobicContact CB-CG2 4.12Å; H376-V402 PolarHBondContact ND1-N 2.85Å; H376-V402 PolarHBondContact ND1-O 2.89Å; H376-L405 HydrophobicContact CB-CD1 3.56Å
377G86.4Confident90.7Very high37 Ų3743 Ų4338%0.38123%0.231SC..THydrogen-bonded Turntrans78.1-1.2-175.600000114.5Q375 L400Q375-G377 PolarHBondContact O-N 2.65Å; G377-L400 PolarHBondContact N-O 2.8Å
378A89.9Confident90.7Very high0 Ų041.1 Ų41.10%023%0.225CC..  trans-68.6154.2171.300000110.8L332 R333 Q375 H376 L400L332-A378 HydrophobicContact CD1-CB 3.76Å; L332-A378 HydrophobicContact CG-CB 4.37Å; R333-A378 WeakPolarHBondContact O-CA 3.22Å; Q375-A378 WeakPolarHBondContact O-CB 3.43Å; Q375-A378 PolarHBondContact O-N 3.43Å; H376-A378 PolarHBondContact O-N 2.85Å; A378-L400 WeakPolarHBondContact O-CB 3.29Å; A378-L400 PolarHBondContact O-N 2.82Å
379R92Very high90.8Very high98 Ų9842 Ų4237%0.3723%0.229SC..EExtended strand (participates in β ladder)trans-116.6120.4-178.3-70.7176.4-71.8168.6-6.1111R333 E397 V398 T399R333-R379 HydrophobicContact CB-CB 4.4Å; R333-R379 PolarHBondContact N-O 2.79Å; R333-R379 PolarHBondContact O-N 2.85Å; R379-E397 IonicContact CZ-OE1 2.71Å; R379-E397 IonicContact NH1-OE1 3.85Å; R379-E397 PolarHBondContact NH1-OE1 2.82Å; R379-E397 IonicContact NH1-OE2 3.41Å; R379-E397 PolarHBondContact NH1-OE2 2.97Å; R379-V398 CarbonylContact C-O 3.49Å; R379-V398 VanDerWaalsContact CA-O 3.24Å; R379-V398 WeakPolarHBondContact CA-O 3.26Å; R379-T399 HydrophobicContact CG-CG2 4.41Å
380Y93Very high90.8Very high4 Ų444.5 Ų44.52%0.01625%0.245CC..EExtended strand (participates in β ladder)trans-76.8132.2165.5-76.7-77000109L313 E331 L332 A343 L366 P368 E397 V398 L400L313-Y380 HydrophobicContact CD1-CD1 4.21Å; L313-Y380 HydrophobicContact CD1-CD2 3.86Å; L313-Y380 HydrophobicContact CD1-CG 3.62Å; E331-Y380 CarbonylContact O-C 3.57Å; E331-Y380 WeakPolarHBondContact O-CA 3.37Å; L332-Y380 HydrophobicContact CB-CE1 4.49Å; L332-Y380 HydrophobicContact CD1-CD1 3.98Å; L332-Y380 HydrophobicContact CD1-CD2 4.22Å; L332-Y380 HydrophobicContact CD1-CE1 3.87Å; L332-Y380 HydrophobicContact CD1-CE2 4.12Å; L332-Y380 HydrophobicContact CD1-CG 4.15Å; A343-Y380 HydrophobicContact CB-CD1 4.09Å; A343-Y380 HydrophobicContact CB-CE1 4.05Å; L366-Y380 HydrophobicContact CD2-CD1 4.11Å; L366-Y380 HydrophobicContact CD2-CE1 4.36Å; P368-Y380 HydrophobicContact CB-CE1 4.32Å; P368-Y380 HydrophobicContact CB-CE2 4.39Å; Y380-E397 CarbonylContact O-C 3.55Å; Y380-E397 WeakPolarHBondContact O-CA 3.31Å; Y380-V398 PolarHBondContact N-O 3.28Å; Y380-V398 PolarHBondContact O-N 2.86Å; Y380-L400 HydrophobicContact CE2-CB 4.48Å; Y380-L400 HydrophobicContact CE2-CD2 4.19Å
381A94.1Very high90.8Very high0 Ų045.7 Ų45.70%026%0.262CS..EExtended strand (participates in β ladder)trans-125.5129.7177.200000110.7W330 E331 A396 E397W330-A381 WeakPolarHBondContact CA-O 3.32Å; E331-A381 HydrophobicContact CB-CB 4.37Å; E331-A381 PolarHBondContact N-O 2.86Å; E331-A381 PolarHBondContact O-N 2.91Å; A381-A396 CarbonylContact C-O 3.52Å; A381-A396 VanDerWaalsContact CA-O 3.23Å; A381-A396 WeakPolarHBondContact CA-O 3.32Å; A381-E397 HydrophobicContact CB-CB 4.2Å
382C95.4Very high90.7Very high0 Ų049.5 Ų49.50%029%0.288CS..EExtended strand (participates in β ladder)trans-92.4113.3166.5175.10000108.3L296 C315 E329 W330 I384 S395 A396L296-C382 HydrophobicContact CD1-CB 4.12Å; C315-C382 HydrophobicContact CB-CB 3.59Å; C315-C382 WeakPolarHBondContact CB-SG 3.27Å; C315-C382 WeakPolarHBondContact SG-CB 3.24Å; C315-C382 CovalentContact SG-SG 2.03Å; C315-C382 PolarHBondContact SG-SG 3.36Å; E329-C382 CarbonylContact O-C 3.58Å; E329-C382 WeakPolarHBondContact O-CA 3.46Å; W330-C382 HydrophobicContact CD2-CB 4.35Å; W330-C382 HydrophobicContact CE3-CB 3.91Å; W330-C382 HydrophobicContact CH2-CB 4Å; W330-C382 HydrophobicContact CZ2-CB 4.38Å; W330-C382 HydrophobicContact CZ3-CB 3.74Å; C382-I384 VanDerWaalsContact SG-CD1 3.53Å; C382-S395 CarbonylContact O-C 3.47Å; C382-S395 WeakPolarHBondContact O-CA 3.2Å; C382-A396 PolarHBondContact N-O 2.75Å; C382-A396 PolarHBondContact O-N 2.85Å
383R95.4Very high91.1Very high65 Ų6546.7 Ų46.725%0.24527%0.274CS..EExtended strand (participates in β ladder)trans-102.1124.3178.7177.6122.769.4173.34.5109.7E329 E331E329-R383 HydrophobicContact CB-CB 4.26Å; E329-R383 PolarHBondContact N-O 2.96Å; E329-R383 PolarHBondContact O-N 2.97Å; E331-R383 VanDerWaalsContact CD-NE 3.3Å; E331-R383 IonicContact OE1-CZ 3.79Å; E331-R383 IonicContact OE1-NE 2.83Å; E331-R383 PolarHBondContact OE1-NE 2.84Å; E331-R383 IonicContact OE1-NH2 3.84Å; E331-R383 PolarHBondContact OE1-NH2 2.03Å; E331-R383 IonicContact OE2-CZ 2.82Å; E331-R383 VanDerWaalsContact OE2-CZ 3.25Å; E331-R383 IonicContact OE2-NE 3.33Å; E331-R383 PolarHBondContact OE2-NE 2.81Å; E331-R383 IonicContact OE2-NH2 3.53Å; E331-R383 PolarHBondContact OE2-NH2 2.86Å; E331-R383 VanDerWaalsContact OE2-NH2 3.07Å
384I97.1Very high91.7Very high0 Ų048.7 Ų48.70%027%0.273CS..EExtended strand (participates in β ladder)trans-108.9125.2-178.3-55.1-56.6000109.7P292 V294 V317 L326 E327 V328 C382 L389 G393 R394P292-I384 HydrophobicContact CG-CG2 4.2Å; V294-I384 HydrophobicContact CB-CG1 4.32Å; V294-I384 HydrophobicContact CG1-CG1 3.68Å; V294-I384 HydrophobicContact CG2-CB 4.02Å; V294-I384 HydrophobicContact CG2-CG1 3.61Å; V294-I384 HydrophobicContact CG2-CG2 4.46Å; V317-I384 HydrophobicContact CG1-CG2 4.29Å; V317-I384 HydrophobicContact CG2-CD1 3.53Å; V317-I384 HydrophobicContact CG2-CG1 4Å; L326-I384 HydrophobicContact CD1-CG2 3.78Å; L326-I384 HydrophobicContact CG-CG2 4.47Å; E327-I384 WeakPolarHBondContact O-CA 3.23Å; V328-I384 HydrophobicContact CB-CD1 4.11Å; V328-I384 HydrophobicContact CG1-CD1 3.84Å; V328-I384 HydrophobicContact CG2-CD1 3.81Å; C382-I384 VanDerWaalsContact SG-CD1 3.53Å; I384-L389 HydrophobicContact CB-CD1 4.45Å; I384-L389 HydrophobicContact CG2-CD1 4.17Å; I384-L389 WeakPolarHBondContact O-CD1 3.38Å; I384-G393 CarbonylContact O-C 3.45Å; I384-G393 WeakPolarHBondContact O-CA 3.48Å; I384-R394 PolarHBondContact N-O 3.41Å; I384-R394 PolarHBondContact O-N 3.46Å
385H96.3Very high92.2Very high42 Ų4244.4 Ų44.419%0.19426%0.258CS..EExtended strand (participates in β ladder)trans-104.8139.1167.8-57.8-67.6000109.6L326 E327 E329L326-H385 WeakPolarHBondContact CA-O 3.39Å; E327-H385 HydrophobicContact CB-CB 4.26Å; E327-H385 PolarHBondContact N-O 2.82Å; E327-H385 PolarHBondContact O-N 2.87Å; E329-H385 IonicContact OE2-CD2 2.93Å; E329-H385 IonicContact OE2-CE1 3.08Å; E329-H385 IonicContact OE2-NE2 2.81Å; E329-H385 PolarHBondContact OE2-NE2 3.07Å
386H96.3Very high92.7Very high12 Ų1243.5 Ų43.56%0.05626%0.257CS..  trans-162.6146.8-178.4-176.2-101.6000109.8P292 F320 Y321 P322 L326 S388 L389P292-H386 HydrophobicContact CG-CB 4.46Å; F320-H386 AromaticContact CD2-CD2 3.95Å; F320-H386 AromaticContact CD2-NE2 3.7Å; Y321-H386 PolarHBondContact O-CE1 3.03Å; Y321-H386 VanDerWaalsContact O-CE1 3.29Å; P322-H386 PolarHBondContact O-NE2 2.77Å; L326-H386 HydrophobicContact CD1-CB 4.12Å; H386-S388 PolarHBondContact CE1-OG 2.71Å; H386-S388 PolarHBondContact ND1-N 3.41Å; H386-S388 VanDerWaalsContact ND1-N 3.19Å; H386-S388 PolarHBondContact ND1-OG 3.26Å; H386-S388 PolarHBondContact O-N 2.79Å; H386-L389 HydrophobicContact CB-CB 4.49Å; H386-L389 HydrophobicContact CB-CD1 3.99Å; H386-L389 HydrophobicContact CB-CG 4.09Å; H386-L389 WeakPolarHBondContact O-CB 3.41Å; H386-L389 PolarHBondContact O-N 2.81Å
387P94.3Very high93.1Very high75 Ų7544.2 Ų44.249%0.48726%0.26SS..THydrogen-bonded Turntrans-60.5-16.8-177.8-26.735.8000115.7
388S94.7Very high93.5Very high24 Ų2442.5 Ų42.517%0.16824%0.242CC..THydrogen-bonded Turntrans-96.43.9174.670.90000114.6K290 P291 H386K290-S388 PolarHBondContact O-OG 2.95Å; P291-S388 WeakPolarHBondContact CA-OG 3.33Å; H386-S388 PolarHBondContact CE1-OG 2.71Å; H386-S388 PolarHBondContact ND1-N 3.41Å; H386-S388 VanDerWaalsContact ND1-N 3.19Å; H386-S388 PolarHBondContact ND1-OG 3.26Å; H386-S388 PolarHBondContact O-N 2.79Å
389L94.9Very high93.5Very high20 Ų2044.5 Ų44.511%0.10526%0.255CS..SBendtrans-106.4159.9173.5-66.2178.5000110.5P291 P292 I384 H386 R394P291-L389 HydrophobicContact CB-CD2 4.24Å; P292-L389 HydrophobicContact CG-CD1 3.72Å; P292-L389 HydrophobicContact CG-CD2 4.29Å; P292-L389 HydrophobicContact CG-CG 4.1Å; I384-L389 HydrophobicContact CB-CD1 4.45Å; I384-L389 HydrophobicContact CG2-CD1 4.17Å; I384-L389 WeakPolarHBondContact O-CD1 3.38Å; H386-L389 HydrophobicContact CB-CB 4.49Å; H386-L389 HydrophobicContact CB-CD1 3.99Å; H386-L389 HydrophobicContact CB-CG 4.09Å; H386-L389 WeakPolarHBondContact O-CB 3.41Å; H386-L389 PolarHBondContact O-N 2.81Å; L389-R394 HydrophobicContact CD1-CB 3.78Å; L389-R394 HydrophobicContact CD2-CB 4.19Å
390P92.6Very high93.4Very high89 Ų8939.8 Ų39.858%0.57824%0.237SC*.  trans-60.5160.6168.7-19.832.8000111.8S392 G393P390-S392 PolarHBondContact O-N 3.43Å; P390-G393 WeakPolarHBondContact O-CA 3.46Å; P390-G393 PolarHBondContact O-N 3Å
391A89.9Confident93.2Very high106 Ų10642.1 Ų42.188%0.87625%0.248SC*.THydrogen-bonded Turntrans-58.5-23.1178.800000114.2G393A391-G393 PolarHBondContact O-N 3.37Å
392S87.9Confident92.7Very high81 Ų8142.1 Ų42.157%0.56625%0.248SC*.THydrogen-bonded Turntrans-73.7-8.517459.60000114.1P390P390-S392 PolarHBondContact O-N 3.43Å
393G91.6Very high91.9Very high12 Ų1243.7 Ų43.712%0.12426%0.261CS..  trans67-170.8-17200000113.3I384 P390 A391I384-G393 CarbonylContact O-C 3.45Å; I384-G393 WeakPolarHBondContact O-CA 3.48Å; P390-G393 WeakPolarHBondContact O-CA 3.46Å; P390-G393 PolarHBondContact O-N 3Å; A391-G393 PolarHBondContact O-N 3.37Å
394R94.3Very high90.6Very high116 Ų11644.5 Ų44.544%0.43829%0.29SS..EExtended strand (participates in β ladder)trans-124.2131.9171.8175.4172.7-75.9-179.9-8.7108.7P292 V294 I384 L389P292-R394 PolarHBondContact O-NH1 3.08Å; V294-R394 HydrophobicContact CB-CG 4.29Å; V294-R394 HydrophobicContact CG2-CB 4.37Å; V294-R394 HydrophobicContact CG2-CG 3.98Å; I384-R394 PolarHBondContact N-O 3.41Å; I384-R394 PolarHBondContact O-N 3.46Å; L389-R394 HydrophobicContact CD1-CB 3.78Å; L389-R394 HydrophobicContact CD2-CB 4.19Å
395S92.8Very high89Confident50 Ų5048.3 Ų48.335%0.3531%0.31SS..EExtended strand (participates in β ladder)trans-117.2145.6178.260.60000113.4C382C382-S395 CarbonylContact O-C 3.47Å; C382-S395 WeakPolarHBondContact O-CA 3.2Å
396A93.3Very high87.1Confident17 Ų1749.9 Ų49.914%0.1433%0.325CS..EExtended strand (participates in β ladder)trans-113.2145.8161.600000108.7V294 L296 A381 C382V294-A396 HydrophobicContact CG1-CB 3.93Å; L296-A396 HydrophobicContact CB-CB 4.05Å; L296-A396 HydrophobicContact CD1-CB 4.5Å; L296-A396 WeakPolarHBondContact CD1-O 3.47Å; A381-A396 CarbonylContact C-O 3.52Å; A381-A396 VanDerWaalsContact CA-O 3.23Å; A381-A396 WeakPolarHBondContact CA-O 3.32Å; C382-A396 PolarHBondContact N-O 2.75Å; C382-A396 PolarHBondContact O-N 2.85Å
397E93.6Very high85.5Confident80 Ų8052.1 Ų52.137%0.37435%0.351SS..EExtended strand (participates in β ladder)trans-131.1152.9-17562.6-178.4-149.500112.9R333 R379 Y380 A381R333-E397 IonicContact NH1-OE2 3.26Å; R379-E397 IonicContact CZ-OE1 2.71Å; R379-E397 IonicContact NH1-OE1 3.85Å; R379-E397 PolarHBondContact NH1-OE1 2.82Å; R379-E397 IonicContact NH1-OE2 3.41Å; R379-E397 PolarHBondContact NH1-OE2 2.97Å; Y380-E397 CarbonylContact O-C 3.55Å; Y380-E397 WeakPolarHBondContact O-CA 3.31Å; A381-E397 HydrophobicContact CB-CB 4.2Å
398V93.4Very high83.9Confident1 Ų153.6 Ų53.61%0.00636%0.361CS..EExtended strand (participates in β ladder)trans-136.7140176.664.80000108.9L296 P298 A302 L313 R379 Y380L296-V398 HydrophobicContact CD1-CB 4.42Å; L296-V398 HydrophobicContact CD1-CG1 4.11Å; L296-V398 HydrophobicContact CD2-CB 4.03Å; L296-V398 HydrophobicContact CD2-CG1 3.72Å; P298-V398 WeakPolarHBondContact O-CG2 3.48Å; A302-V398 HydrophobicContact CB-CG2 4.31Å; L313-V398 HydrophobicContact CD1-CG1 4Å; L313-V398 HydrophobicContact CD2-CG1 4.12Å; R379-V398 CarbonylContact C-O 3.49Å; R379-V398 VanDerWaalsContact CA-O 3.24Å; R379-V398 WeakPolarHBondContact CA-O 3.26Å; Y380-V398 PolarHBondContact N-O 3.28Å; Y380-V398 PolarHBondContact O-N 2.86Å
399T91.8Very high82.9Confident42 Ų4255 Ų5526%0.25837%0.37SS..EExtended strand (participates in β ladder)trans-91.2136.8-178.6-49.80000110.3T300 L301 A302 R379T300-T399 PolarHBondContact O-N 3.43Å; L301-T399 WeakPolarHBondContact CA-O 3.48Å; A302-T399 PolarHBondContact N-O 3.44Å; R379-T399 HydrophobicContact CG-CG2 4.41Å
400L89.6Confident81.8Confident0 Ų060.8 Ų60.80%040%0.401CS..EExtended strand (participates in β ladder)trans-91.3121.9176.2177.166.6000110.2A302 P310 V371 Q375 G377 A378 Y380 V402A302-L400 WeakPolarHBondContact O-CA 3.42Å; P310-L400 HydrophobicContact CB-CD1 4.35Å; P310-L400 HydrophobicContact CG-CD1 3.81Å; V371-L400 HydrophobicContact CB-CD2 4.17Å; V371-L400 HydrophobicContact CG1-CD1 4.28Å; V371-L400 HydrophobicContact CG1-CD2 3.63Å; Q375-L400 HydrophobicContact CB-CD2 3.92Å; G377-L400 PolarHBondContact N-O 2.8Å; A378-L400 WeakPolarHBondContact O-CB 3.29Å; A378-L400 PolarHBondContact O-N 2.82Å; Y380-L400 HydrophobicContact CE2-CB 4.48Å; Y380-L400 HydrophobicContact CE2-CD2 4.19Å; L400-V402 HydrophobicContact CD2-CG2 4.3Å; L400-V402 HydrophobicContact CG-CG2 4.25Å
401E87.8Confident81.1Confident53 Ų5364 Ų6425%0.24841%0.408CS..EExtended strand (participates in β ladder)trans-109.8113.3173.7-71.2-67.2153.100109.6L301 A302 W303 A304 H376 S406L301-E401 HydrophobicContact CD2-CG 3.79Å; A302-E401 PolarHBondContact O-N 2.9Å; W303-E401 WeakPolarHBondContact CA-O 3.46Å; A304-E401 PolarHBondContact N-O 2.88Å; H376-E401 IonicContact CE1-OE2 2.94Å; H376-E401 PolarHBondContact CE1-OE2 2.99Å; H376-E401 IonicContact ND1-OE2 3.58Å; H376-E401 IonicContact NE2-OE2 2.79Å; E401-S406 PolarHBondContact OE2-OG 3.24Å
402V84.3Confident80.5Confident0 Ų063.7 Ų63.70%039%0.392CS..EExtended strand (participates in β ladder)trans-90.5127.6175.2-176.20000110A304 P306 V371 H376 L400 L405A304-V402 WeakPolarHBondContact O-CA 3.3Å; P306-V402 HydrophobicContact CB-CG1 4.41Å; P306-V402 HydrophobicContact CG-CG1 3.72Å; V371-V402 HydrophobicContact CB-CG2 4.46Å; V371-V402 HydrophobicContact CG2-CG2 4.01Å; H376-V402 HydrophobicContact CB-CB 4.13Å; H376-V402 HydrophobicContact CB-CG2 4.12Å; H376-V402 PolarHBondContact ND1-N 2.85Å; H376-V402 PolarHBondContact ND1-O 2.89Å; L400-V402 HydrophobicContact CD2-CG2 4.3Å; L400-V402 HydrophobicContact CG-CG2 4.25Å; V402-L405 HydrophobicContact CB-CD1 4.23Å; V402-L405 HydrophobicContact CG1-CD1 4.43Å
403A77.6Confident80Confident33 Ų3361.9 Ų61.927%0.27338%0.379SS..THydrogen-bonded Turntrans-59.1143.8-178.300000112.6A304A304-A403 PolarHBondContact O-N 2.92Å
404G68.7Low79.7Confident82 Ų8265.4 Ų65.485%0.84539%0.394SS*.THydrogen-bonded Turntrans880.5176.200000115.6
405L64.3Low79.3Confident80 Ų8061.7 Ų61.742%0.41939%0.392SS..  trans-111.8-18.9177.6-67169.5000113.8T373 H376 V402 G407T373-L405 HydrophobicContact CG2-CD1 3.95Å; T373-L405 HydrophobicContact CG2-CG 4.47Å; T373-L405 WeakPolarHBondContact O-CD1 3.2Å; H376-L405 HydrophobicContact CB-CD1 3.56Å; V402-L405 HydrophobicContact CB-CD1 4.23Å; V402-L405 HydrophobicContact CG1-CD1 4.43Å; L405-G407 PolarHBondContact O-N 3.04Å
406S56.3Low79.2Confident75 Ų7565.2 Ų65.252%0.52441%0.406SS..SBendtrans-73.7112.3172.8-41.30000109E401E401-S406 PolarHBondContact OE2-OG 3.24Å
407G61.4Low78.9Confident58 Ų5871.1 Ų71.160%0.59843%0.429SS*.PPolyproline II helixtrans-61.5161.617000000111.5L405 S409L405-G407 PolarHBondContact O-N 3.04Å; G407-S409 PolarHBondContact O-N 3.27Å
408P62.2Low78.8Confident106 Ų10672.7 Ų72.769%0.68844%0.44SS*.PPolyproline II helixtrans-54.7132.7-179.222.9-32.4000110.1D412P408-D412 HydrophobicContact CB-CB 4.41Å
409S72.3Confident78.7Confident53 Ų5375.5 Ų75.537%0.37146%0.459SS..PPolyproline II helixtrans-55.6151.6173.7168.50000109.7G407 E411 D412 S413G407-S409 PolarHBondContact O-N 3.27Å; S409-E411 PolarHBondContact O-N 2.91Å; S409-E411 WeakPolarHBondContact OG-CB 3.38Å; S409-E411 PolarHBondContact OG-N 2.87Å; S409-E411 VanDerWaalsContact OG-N 3.12Å; S409-D412 VanDerWaalsContact CB-OD2 3.32Å; S409-D412 WeakPolarHBondContact CB-OD2 3.46Å; S409-D412 PolarHBondContact N-OD2 2.91Å; S409-D412 WeakPolarHBondContact O-CB 3.1Å; S409-D412 PolarHBondContact O-N 2.83Å; S409-D412 VanDerWaalsContact O-N 3.09Å; S409-S413 PolarHBondContact O-N 2.82Å; S409-S413 PolarHBondContact O-OG 3.01Å
410L71.8Confident78.8Confident142 Ų14275.5 Ų75.574%0.74346%0.463SS*.Hα-helixtrans-57.7-31.9172-157.2147.9000110.2I414L410-I414 HydrophobicContact CD2-CD1 3.6Å; L410-I414 HydrophobicContact CD2-CG1 4.3Å; L410-I414 WeakPolarHBondContact O-CD1 3.38Å; L410-I414 VanDerWaalsContact O-CG1 3.22Å; L410-I414 WeakPolarHBondContact O-CG1 3.5Å; L410-I414 PolarHBondContact O-N 2.8Å
411E78.1Confident78.8Confident156 Ų15682.1 Ų82.173%0.72949%0.492SS*.Hα-helixtrans-71.7-40.9175.6-151.1164.6-157.100112.2S409 S413 I414 G415S409-E411 PolarHBondContact O-N 2.91Å; S409-E411 WeakPolarHBondContact OG-CB 3.38Å; S409-E411 PolarHBondContact OG-N 2.87Å; S409-E411 VanDerWaalsContact OG-N 3.12Å; E411-S413 VanDerWaalsContact C-N 3.3Å; E411-S413 PolarHBondContact O-N 2.81Å; E411-I414 PolarHBondContact O-N 2.8Å; E411-G415 PolarHBondContact O-N 2.83Å
412D77.4Confident79.1Confident100 Ų10086.6 Ų86.654%0.53551%0.511SS..Hα-helixtrans-63.4-40.2173.2-66.1-29.9000111P408 S409 G415 L416P408-D412 HydrophobicContact CB-CB 4.41Å; S409-D412 VanDerWaalsContact CB-OD2 3.32Å; S409-D412 WeakPolarHBondContact CB-OD2 3.46Å; S409-D412 PolarHBondContact N-OD2 2.91Å; S409-D412 WeakPolarHBondContact O-CB 3.1Å; S409-D412 PolarHBondContact O-N 2.83Å; S409-D412 VanDerWaalsContact O-N 3.09Å; D412-G415 PolarHBondContact O-N 2.95Å; D412-L416 WeakPolarHBondContact O-CB 3.25Å; D412-L416 PolarHBondContact O-N 3.3Å
413S78.6Confident79.4Confident43 Ų4390.8 Ų90.830%0.30153%0.534SS..Hα-helixtrans-63.3-45.5176.4-590000110.7S409 E411 G415 L416 F417S409-S413 PolarHBondContact O-N 2.82Å; S409-S413 PolarHBondContact O-OG 3.01Å; E411-S413 VanDerWaalsContact C-N 3.3Å; E411-S413 PolarHBondContact O-N 2.81Å; S413-G415 VanDerWaalsContact C-N 3.33Å; S413-G415 PolarHBondContact O-N 2.78Å; S413-L416 PolarHBondContact O-N 3.14Å; S413-F417 VanDerWaalsContact O-CD2 3.32Å; S413-F417 WeakPolarHBondContact O-CD2 3.39Å; S413-F417 PolarHBondContact O-N 2.87Å
414I85.2Confident80Confident86 Ų8694.3 Ų94.344%0.44155%0.547SS..Hα-helixtrans-60.4-43.9174-70.4165.2000110.7L410 E411 L416 F417 L418L410-I414 HydrophobicContact CD2-CD1 3.6Å; L410-I414 HydrophobicContact CD2-CG1 4.3Å; L410-I414 WeakPolarHBondContact O-CD1 3.38Å; L410-I414 VanDerWaalsContact O-CG1 3.22Å; L410-I414 WeakPolarHBondContact O-CG1 3.5Å; L410-I414 PolarHBondContact O-N 2.8Å; E411-I414 PolarHBondContact O-N 2.8Å; I414-L416 PolarHBondContact O-N 2.94Å; I414-F417 PolarHBondContact O-N 2.82Å; I414-L418 HydrophobicContact CG2-CD1 3.79Å; I414-L418 HydrophobicContact CG2-CG 4.21Å; I414-L418 WeakPolarHBondContact O-CB 3.46Å; I414-L418 VanDerWaalsContact O-CG 3.3Å; I414-L418 WeakPolarHBondContact O-CG 3.41Å; I414-L418 PolarHBondContact O-N 3.21Å
415G85.8Confident80.9Confident38 Ų3892.4 Ų92.439%0.39253%0.527SS..Hα-helixtrans-61.4-41.9177.400000113.1E411 D412 S413 L418 S419E411-G415 PolarHBondContact O-N 2.83Å; D412-G415 PolarHBondContact O-N 2.95Å; S413-G415 VanDerWaalsContact C-N 3.33Å; S413-G415 PolarHBondContact O-N 2.78Å; G415-L418 PolarHBondContact O-N 3.19Å; G415-S419 WeakPolarHBondContact O-CB 3.41Å; G415-S419 PolarHBondContact O-N 3Å; G415-S419 PolarHBondContact O-OG 2.97Å
416L89.3Confident82.2Confident124 Ų12492.5 Ų92.565%0.64953%0.528SS*.Hα-helixtrans-66.1-39.8176.5-125.3146.2000111.6D412 S413 I414 S419 A420D412-L416 WeakPolarHBondContact O-CB 3.25Å; D412-L416 PolarHBondContact O-N 3.3Å; S413-L416 PolarHBondContact O-N 3.14Å; I414-L416 PolarHBondContact O-N 2.94Å; L416-S419 WeakPolarHBondContact CA-OG 3.34Å; L416-S419 PolarHBondContact O-OG 3.06Å; L416-A420 WeakPolarHBondContact O-CB 3.44Å; L416-A420 PolarHBondContact O-N 2.91Å
417F88.8Confident83.7Confident141 Ų14195.9 Ų95.962%0.61853%0.534SS*.Hα-helixtrans-64.3-49.2173.3-94.4-79.1000112.1S413 I414 S419 A420 F421S413-F417 VanDerWaalsContact O-CD2 3.32Å; S413-F417 WeakPolarHBondContact O-CD2 3.39Å; S413-F417 PolarHBondContact O-N 2.87Å; I414-F417 PolarHBondContact O-N 2.82Å; F417-S419 PolarHBondContact O-N 2.68Å; F417-A420 PolarHBondContact O-N 3Å; F417-F421 HydrophobicContact CD1-CE2 4.05Å; F417-F421 WeakPolarHBondContact O-CD2 3.49Å; F417-F421 PolarHBondContact O-N 3.16Å
418L90.9Very high84.8Confident114 Ų114100 Ų10060%0.59754%0.535SS*.Hα-helixtrans-63.2-41.4-178.7-71.4174.9000112.2I414 G415 F421 F422I414-L418 HydrophobicContact CG2-CD1 3.79Å; I414-L418 HydrophobicContact CG2-CG 4.21Å; I414-L418 WeakPolarHBondContact O-CB 3.46Å; I414-L418 VanDerWaalsContact O-CG 3.3Å; I414-L418 WeakPolarHBondContact O-CG 3.41Å; I414-L418 PolarHBondContact O-N 3.21Å; G415-L418 PolarHBondContact O-N 3.19Å; L418-F421 PolarHBondContact O-N 3.46Å; L418-F422 WeakPolarHBondContact O-CB 3.31Å; L418-F422 PolarHBondContact O-N 3.12Å
419S91.3Very high85.7Confident59 Ų5997.9 Ų97.941%0.41353%0.526SS..Hα-helixtrans-65-40.6175.654.80000112.1G415 L416 F417 F422 L423G415-S419 WeakPolarHBondContact O-CB 3.41Å; G415-S419 PolarHBondContact O-N 3Å; G415-S419 PolarHBondContact O-OG 2.97Å; L416-S419 WeakPolarHBondContact CA-OG 3.34Å; L416-S419 PolarHBondContact O-OG 3.06Å; F417-S419 PolarHBondContact O-N 2.68Å; S419-F422 PolarHBondContact O-N 3.45Å; S419-L423 WeakPolarHBondContact O-CB 3.43Å; S419-L423 WeakPolarHBondContact O-CG 3.14Å; S419-L423 PolarHBondContact O-N 2.83Å
420A92.8Very high86.2Confident42 Ų42100.3 Ų100.335%0.34754%0.535SS..Hα-helixtrans-62-44.3174.100000112.2L416 F417 L423 L424L416-A420 WeakPolarHBondContact O-CB 3.44Å; L416-A420 PolarHBondContact O-N 2.91Å; F417-A420 PolarHBondContact O-N 3Å; A420-L423 PolarHBondContact O-N 3.01Å; A420-L424 WeakPolarHBondContact O-CB 3.28Å; A420-L424 PolarHBondContact O-N 3.14Å
421F91.2Very high86.4Confident139 Ų13995.1 Ų95.161%0.6152%0.516SS*.Hα-helixtrans-63.8-41.1176-84.7-71.5000112.5F417 L418 L424 G425F417-F421 HydrophobicContact CD1-CE2 4.05Å; F417-F421 WeakPolarHBondContact O-CD2 3.49Å; F417-F421 PolarHBondContact O-N 3.16Å; L418-F421 PolarHBondContact O-N 3.46Å; F421-L424 PolarHBondContact O-N 2.92Å; F421-G425 PolarHBondContact O-N 3.06Å
422F92.2Very high86.4Confident147 Ų14797 Ų9765%0.64552%0.516SS*.Hα-helixtrans-63-46.2176.8-174.4-97.6000111.4L418 S419 G425 L426L418-F422 WeakPolarHBondContact O-CB 3.31Å; L418-F422 PolarHBondContact O-N 3.12Å; S419-F422 PolarHBondContact O-N 3.45Å; F422-G425 PolarHBondContact O-N 2.8Å; F422-L426 HydrophobicContact CE1-CD1 3.89Å; F422-L426 HydrophobicContact CZ-CD1 4.08Å; F422-L426 PolarHBondContact O-N 2.86Å
423L91.9Very high86.2Confident89 Ų8994.7 Ų94.747%0.46651%0.511SS..Hα-helixtrans-62.1-43.9176.3-74.2170.1000111.8S419 A420 G425 L426 F427S419-L423 WeakPolarHBondContact O-CB 3.43Å; S419-L423 WeakPolarHBondContact O-CG 3.14Å; S419-L423 PolarHBondContact O-N 2.83Å; A420-L423 PolarHBondContact O-N 3.01Å; L423-G425 VanDerWaalsContact C-N 3.32Å; L423-G425 PolarHBondContact O-N 2.93Å; L423-L426 WeakPolarHBondContact O-CB 3.17Å; L423-L426 PolarHBondContact O-N 2.84Å; L423-L426 VanDerWaalsContact O-N 3.17Å; L423-F427 HydrophobicContact CB-CD2 4.47Å; L423-F427 HydrophobicContact CB-CE2 4.38Å; L423-F427 WeakPolarHBondContact O-CD2 3.28Å; L423-F427 PolarHBondContact O-N 2.98Å
424L89.9Confident85.8Confident106 Ų10695.6 Ų95.656%0.55552%0.521SS*.Hα-helixtrans-59.4-41.9174.1-93.8152.3000112.3A420 F421 K428A420-L424 WeakPolarHBondContact O-CB 3.28Å; A420-L424 PolarHBondContact O-N 3.14Å; F421-L424 PolarHBondContact O-N 2.92Å; L424-K428 WeakPolarHBondContact O-CB 3.29Å; L424-K428 WeakPolarHBondContact O-CG 3.44Å; L424-K428 PolarHBondContact O-N 3.26Å
425G87.9Confident85Confident42 Ų4295.6 Ų95.643%0.43353%0.525SS..Hα-helixtrans-60.8-44173.400000112.2F421 F422 L423 K428 A429F421-G425 PolarHBondContact O-N 3.06Å; F422-G425 PolarHBondContact O-N 2.8Å; L423-G425 VanDerWaalsContact C-N 3.32Å; L423-G425 PolarHBondContact O-N 2.93Å; G425-K428 PolarHBondContact O-N 2.74Å; G425-A429 WeakPolarHBondContact O-CB 3.32Å; G425-A429 PolarHBondContact O-N 2.87Å
426L90.1Very high84Confident82 Ų82102.1 Ų102.143%0.42954%0.539SS..Hα-helixtrans-65.3-45.1178.7-148.5104.7000111.9F422 L423 K428 A429 L430F422-L426 HydrophobicContact CE1-CD1 3.89Å; F422-L426 HydrophobicContact CZ-CD1 4.08Å; F422-L426 PolarHBondContact O-N 2.86Å; L423-L426 WeakPolarHBondContact O-CB 3.17Å; L423-L426 PolarHBondContact O-N 2.84Å; L423-L426 VanDerWaalsContact O-N 3.17Å; L426-K428 VanDerWaalsContact C-N 3.33Å; L426-K428 PolarHBondContact O-N 3.4Å; L426-A429 PolarHBondContact O-N 2.85Å; L426-L430 HydrophobicContact CD2-CD1 4.04Å; L426-L430 HydrophobicContact CG-CD1 4.5Å; L426-L430 WeakPolarHBondContact O-CB 3.41Å; L426-L430 WeakPolarHBondContact O-CG 3.42Å; L426-L430 PolarHBondContact O-N 3.02Å
427F88.9Confident82.6Confident147 Ų147102.7 Ų102.765%0.64554%0.542SS*.Hα-helixtrans-62.6-39.2175.9-78.7-62.3000112L423 G431L423-F427 HydrophobicContact CB-CD2 4.47Å; L423-F427 HydrophobicContact CB-CE2 4.38Å; L423-F427 WeakPolarHBondContact O-CD2 3.28Å; L423-F427 PolarHBondContact O-N 2.98Å; F427-G431 PolarHBondContact O-N 3.37Å
428K84.7Confident81.2Confident143 Ų14399.3 Ų99.362%0.62254%0.536SS*.Hα-helixtrans-64.7-47.3172.9-77.3-124.5178.1177.10111.5L424 G425 L426 L430 G431 W432L424-K428 WeakPolarHBondContact O-CB 3.29Å; L424-K428 WeakPolarHBondContact O-CG 3.44Å; L424-K428 PolarHBondContact O-N 3.26Å; G425-K428 PolarHBondContact O-N 2.74Å; L426-K428 VanDerWaalsContact C-N 3.33Å; L426-K428 PolarHBondContact O-N 3.4Å; K428-L430 VanDerWaalsContact C-N 3.33Å; K428-L430 PolarHBondContact O-N 3.21Å; K428-G431 PolarHBondContact O-N 2.93Å; K428-W432 PolarHBondContact O-N 2.84Å
429A80.8Confident79.4Confident62 Ų6297.9 Ų97.951%0.51253%0.532SS..Hα-helixtrans-60-43.1178.300000112.2G425 L426 W432 A433G425-A429 WeakPolarHBondContact O-CB 3.32Å; G425-A429 PolarHBondContact O-N 2.87Å; L426-A429 PolarHBondContact O-N 2.85Å; A429-W432 PolarHBondContact O-N 2.78Å; A429-A433 WeakPolarHBondContact O-CB 3.43Å; A429-A433 PolarHBondContact O-N 2.72Å
430L83.2Confident77.4Confident104 Ų10499.6 Ų99.655%0.54554%0.543SS..Hα-helixtrans-64.4-40.4174.8-74.2166.7000112L426 K428 A433 A434L426-L430 HydrophobicContact CD2-CD1 4.04Å; L426-L430 HydrophobicContact CG-CD1 4.5Å; L426-L430 WeakPolarHBondContact O-CB 3.41Å; L426-L430 WeakPolarHBondContact O-CG 3.42Å; L426-L430 PolarHBondContact O-N 3.02Å; K428-L430 VanDerWaalsContact C-N 3.33Å; K428-L430 PolarHBondContact O-N 3.21Å; L430-A433 PolarHBondContact O-N 3.45Å; L430-A434 WeakPolarHBondContact O-CB 3.29Å; L430-A434 PolarHBondContact O-N 2.83Å
431G76.5Confident75.2Confident34 Ų34106.7 Ų106.735%0.35157%0.566SS.*Hα-helixtrans-62.7-42.8173.900000112.5F427 K428 A434 V435F427-G431 PolarHBondContact O-N 3.37Å; K428-G431 PolarHBondContact O-N 2.93Å; G431-A434 PolarHBondContact O-N 2.97Å; G431-V435 VanDerWaalsContact O-CG2 3.32Å; G431-V435 WeakPolarHBondContact O-CG2 3.33Å; G431-V435 PolarHBondContact O-N 3.09Å
432W76.1Confident73.1Confident195 Ų195107.4 Ų107.474%0.73958%0.576SS**Hα-helixtrans-67.1-39.8176-77.954.3000111.7K428 A429 V435 Y436K428-W432 PolarHBondContact O-N 2.84Å; A429-W432 PolarHBondContact O-N 2.78Å; W432-V435 PolarHBondContact O-N 2.78Å; W432-Y436 WeakPolarHBondContact O-CB 3.43Å; W432-Y436 PolarHBondContact O-N 2.64Å
433A73.8Confident70.8Confident52 Ų52104.5 Ų104.543%0.4357%0.574SS.*Hα-helixtrans-64.4-39.8174.700000112.1A429 L430 Y436 L437A429-A433 WeakPolarHBondContact O-CB 3.43Å; A429-A433 PolarHBondContact O-N 2.72Å; L430-A433 PolarHBondContact O-N 3.45Å; A433-Y436 PolarHBondContact O-N 3.13Å; A433-L437 WeakPolarHBondContact O-CB 3.27Å; A433-L437 PolarHBondContact O-N 3.48Å
434A70.1Confident68.6Low61 Ų61110.1 Ų110.150%0.50460%0.595SS.*Hα-helixtrans-66.2-41.6175.600000112.2L430 G431 L437 S438L430-A434 WeakPolarHBondContact O-CB 3.29Å; L430-A434 PolarHBondContact O-N 2.83Å; G431-A434 PolarHBondContact O-N 2.97Å; A434-L437 PolarHBondContact O-N 2.68Å; A434-S438 PolarHBondContact O-N 3.14Å; A434-S438 PolarHBondContact O-OG 3.35Å
435V69.6Low66.2Low87 Ų87114.2 Ų114.253%0.52761%0.608SS.*Hα-helixtrans-62.2-45.7172.8171.90000110.4G431 W432 L437 S438 T439G431-V435 VanDerWaalsContact O-CG2 3.32Å; G431-V435 WeakPolarHBondContact O-CG2 3.33Å; G431-V435 PolarHBondContact O-N 3.09Å; W432-V435 PolarHBondContact O-N 2.78Å; V435-L437 VanDerWaalsContact C-N 3.34Å; V435-L437 PolarHBondContact O-N 2.95Å; V435-S438 WeakPolarHBondContact CA-OG 3.43Å; V435-S438 PolarHBondContact O-N 3.25Å; V435-S438 VanDerWaalsContact O-N 3.14Å; V435-S438 PolarHBondContact O-OG 2.85Å; V435-T439 PolarHBondContact O-N 2.99Å; V435-T439 PolarHBondContact O-OG1 3.37Å; V435-T439 VanDerWaalsContact O-OG1 3.09Å
436Y63.2Low63.9Low174 Ų174118.4 Ų118.468%0.68263%0.625SS**Hα-helixtrans-59.7-42.8177.6-153.6-91.7000112.2W432 A433 S438 T439 C440W432-Y436 WeakPolarHBondContact O-CB 3.43Å; W432-Y436 PolarHBondContact O-N 2.64Å; A433-Y436 PolarHBondContact O-N 3.13Å; Y436-S438 VanDerWaalsContact C-N 3.34Å; Y436-S438 PolarHBondContact O-N 2.99Å; Y436-T439 WeakPolarHBondContact CA-OG1 3.37Å; Y436-T439 PolarHBondContact O-N 3.15Å; Y436-T439 PolarHBondContact O-OG1 3.14Å; Y436-C440 WeakPolarHBondContact O-CB 3.27Å; Y436-C440 PolarHBondContact O-N 3.03Å
437L61.2Low61.6Low136 Ų136123.5 Ų123.571%0.71265%0.647SS**Hα-helixtrans-65.1-36.7176.1-123.882.9000112.4A433 A434 V435A433-L437 WeakPolarHBondContact O-CB 3.27Å; A433-L437 PolarHBondContact O-N 3.48Å; A434-L437 PolarHBondContact O-N 2.68Å; V435-L437 VanDerWaalsContact C-N 3.34Å; V435-L437 PolarHBondContact O-N 2.95Å
438S58.8Low58.9Low71 Ų71122.8 Ų122.850%0.49766%0.658SS.*Hα-helixtrans-70.2-41.417769.80000112.3A434 V435 Y436 C440 K441A434-S438 PolarHBondContact O-N 3.14Å; A434-S438 PolarHBondContact O-OG 3.35Å; V435-S438 WeakPolarHBondContact CA-OG 3.43Å; V435-S438 PolarHBondContact O-N 3.25Å; V435-S438 VanDerWaalsContact O-N 3.14Å; V435-S438 PolarHBondContact O-OG 2.85Å; Y436-S438 VanDerWaalsContact C-N 3.34Å; Y436-S438 PolarHBondContact O-N 2.99Å; S438-C440 VanDerWaalsContact C-N 3.31Å; S438-C440 PolarHBondContact O-N 3.1Å; S438-K441 PolarHBondContact O-N 3.22Å
439T54Low56.4Low84 Ų84121.4 Ų121.452%0.51567%0.667SS.*Hα-helixtrans-70-25.5175.9500000113.5V435 Y436 K441V435-T439 PolarHBondContact O-N 2.99Å; V435-T439 PolarHBondContact O-OG1 3.37Å; V435-T439 VanDerWaalsContact O-OG1 3.09Å; Y436-T439 WeakPolarHBondContact CA-OG1 3.37Å; Y436-T439 PolarHBondContact O-N 3.15Å; Y436-T439 PolarHBondContact O-OG1 3.14Å; T439-K441 VanDerWaalsContact C-N 3.26Å; T439-K441 PolarHBondContact O-N 3.4Å
440C48.8Very low54.5Low95 Ų95124.6 Ų124.664%0.64268%0.68SS**THydrogen-bonded Turntrans-73.9-16.5174.5-124.70000113.1Y436 S438Y436-C440 WeakPolarHBondContact O-CB 3.27Å; Y436-C440 PolarHBondContact O-N 3.03Å; S438-C440 VanDerWaalsContact C-N 3.31Å; S438-C440 PolarHBondContact O-N 3.1Å
441K46.4Very low51.9Low190 Ų190124.3 Ų124.383%0.82669%0.687SS**THydrogen-bonded Turntrans-81.8-17.1-180-148.3173.7-176.4179.10113.2S438 T439S438-K441 PolarHBondContact O-N 3.22Å; T439-K441 VanDerWaalsContact C-N 3.26Å; T439-K441 PolarHBondContact O-N 3.4Å
442D48.2Very low49.9Very low154 Ų154129.4 Ų129.482%0.82471%0.705SS**SBendtrans-111.35.6-175.6-96.7-27.4000116
443S42.8Very low47.8Very low87 Ų87130.3 Ų130.361%0.60871%0.71SS**  trans-122.691.2176.9-151.30000112.7
444K45Very low45.7Very low206 Ų206133.8 Ų133.890%0.89672%0.721SS**  trans-83118.8155.7-89.6-178.2176.9174.30108.4
445K40.9Very low43.9Very low192 Ų192136.2 Ų136.284%0.83573%0.734SS**SBendtrans74.4112.5-179.1-56.9176.6174.1179.50111.2
446V40Very low42Very low130 Ų130138.5 Ų138.579%0.78874%0.742SS**  -160.5153.957.9164.10000108.3
447H41.1Very low40.5Very low190 Ų190136.6 Ų136.688%0.8875%0.748SS**  trans-22.1126.4170.4-124.643.8000116
448C31.5Very low39Very low131 Ų131135.9 Ų135.989%0.88575%0.75SS**  trans-125.6116.9166.4-140.50000109.5
449S33.5Very low37.8Very low115 Ų115140.2 Ų140.280%0.80477%0.767SS**  trans-76.8141.5178.7-1700000110.4
450T39.1Very low36.5Very low128 Ų128142 Ų14279%0.78578%0.782SS**  trans-68.6132.2179.1-9.80000111.7
451S30.5Very low36.3Very low99 Ų99142.5 Ų142.569%0.69278%0.784SS**  trans-152.396.1153.4-174.30000110.5
452L34.5Very low35.4Very low140 Ų140141.9 Ų141.973%0.73378%0.784SS**  trans-76.8122.3164.5-101.8122.2000108.7L454L452-L454 HydrophobicContact CD2-CD1 3.7Å
453Y30Very low34.6Very low214 Ų214140.2 Ų140.284%0.83978%0.782SS**  trans-108.5102.4158.2-100.5-85000108.6
454L31.5Very low34.5Very low126 Ų126144 Ų14466%0.6679%0.793SS**  trans-86.6113.4168.7-130.591.2000107.6L452 L456L452-L454 HydrophobicContact CD2-CD1 3.7Å; L454-L456 HydrophobicContact CD2-CD1 3.8Å; L454-L456 PolarHBondContact O-N 3.13Å
455S30.3Very low33.7Very low111 Ų111139.8 Ų139.878%0.77679%0.79SS**  trans-94.588.9170.3-51.10000109.1V457S455-V457 PolarHBondContact O-N 3.47Å
456L31.6Very low33Very low135 Ų135139.8 Ų139.871%0.70779%0.79SS**  trans-69.1113.6164.4-99116.6000108.9L454 T458L454-L456 HydrophobicContact CD2-CD1 3.8Å; L454-L456 PolarHBondContact O-N 3.13Å; L456-T458 PolarHBondContact O-N 3.12Å
457V30.2Very low32.8Very low134 Ų134139.4 Ų139.481%0.81279%0.79SS**  trans-85.9104.2164.4178.20000107.5S455S455-V457 PolarHBondContact O-N 3.47Å
458T29.4Very low32.2Very low122 Ų122139.3 Ų139.375%0.74879%0.793SS**  trans-88.9126.1170.537.50000109.1L456L456-T458 PolarHBondContact O-N 3.12Å
459L33.6Very low32Very low162 Ų162142.7 Ų142.785%0.84880%0.795SS**  trans-94.5121.7171.6-94.9148.7000108.7
460S27.4Very low31.7Very low120 Ų120141.1 Ų141.184%0.83980%0.797SS**  trans-162157.5155.7-93.40000112.7
461P44.9Very low31.1Very low106 Ų106139.1 Ų139.169%0.68880%0.802SS**  trans-114.6174-141.438.5-27.3000115.7
462H26.6Very low30.9Very low178 Ų178139.9 Ų139.982%0.82481%0.806SS**  trans90.4158.6162.6-71.7-24.9000119.9
463P32.7Very low30.5Very low118 Ų118144.3 Ų144.377%0.76681%0.813SS**  cis-129.6175.1-34.133.4-14.7000113.4
464I40.2Very low30.2Very low166 Ų166139.9 Ų139.985%0.85181%0.812SS**  trans-73.7129.9-175.8-64.9159.7000112.3
465S27.3Very low30Very low118 Ų118137.5 Ų137.583%0.82582%0.818SS**  trans-151.1132.3148.358.20000111.9
466K27.8Very low29.9Very low192 Ų192144.4 Ų144.484%0.83583%0.827SS**  trans-79.3-176.4177.3-78.4177.3173.5176.90111.5
467P34.4Very low30Very low123 Ų123145.9 Ų145.980%0.79983%0.83SS**  cis-129.3176.6-18.820.83.8000114.2
468M29.7Very low30.5Very low188 Ų188146.1 Ų146.193%0.92683%0.827SS**  trans-72.1148.5174-74.5177.3144.500115.4
469E27Very low30.8Very low202 Ų202148.1 Ų148.194%0.94483%0.832SS**  trans-166.6132.3138-101.2174.7177.500104
470G27.7Very low30.7Very low81 Ų81143.2 Ų143.284%0.83582%0.821SS**  cis148121.322.400000104.3
471G26.8Very low31Very low86 Ų86144.1 Ų144.189%0.88782%0.815SS**  trans163.8118.9179.500000117.3
472C24.5Very low30.5Very low115 Ų115146.1 Ų146.178%0.77782%0.816SS**  trans-66144.5-170.3-83.90000119.7
473W26.3Very low30.9Very low233 Ų233144.7 Ų144.788%0.88381%0.808SS**  93.6133.2129.6-8151.9000124
474C24.6Very low31.1Very low121 Ų121143.4 Ų143.482%0.81880%0.797SS**  trans79.5105156.7-89.60000120.9
475G28Very low30.9Very low76 Ų76140.3 Ų140.378%0.78478%0.782SS**  trans141.2119.4138.800000116.4
476R27.6Very low31.4Very low256 Ų256139.3 Ų139.397%0.96677%0.766SS**  trans97.8130.3150.8-155.6174-85.3-148-3.2117.9
477Q33.9Very low31.9Very low167 Ų167139.5 Ų139.578%0.7876%0.762SS**  trans-69.7156.6-174.1-78.9164.8-28.400115.2
478N41.2Very low32.2Very low139 Ų139138.6 Ų138.674%0.74375%0.754SS**  trans63.4114.5144.9-68.9-19.8000119.5
479L34.1Very low32.4Very low163 Ų163136.8 Ų136.885%0.85374%0.741SS**SBendtrans179.5-3.7135.6-109.9125.5000114
480G32.1Very low33Very low60 Ų60131 Ų13162%0.61972%0.72SS**SBendtrans-91.3-12.4-174.300000117.7
481L33.6Very low33.4Very low138 Ų138136.1 Ų136.172%0.72371%0.714SS**Hα-helixtrans-91.3-16.6-173.5-105.491.1000115.2T484L481-T484 PolarHBondContact O-OG1 3.11Å
482E34.9Very low33.9Very low148 Ų148138.4 Ų138.469%0.69270%0.701SS**Hα-helixtrans-78.4-31.8-179.5-84.2-92.9137.200112.4I486E482-I486 WeakPolarHBondContact O-CG1 3.36Å; E482-I486 PolarHBondContact O-N 3.17Å
483F34.3Very low34.4Very low149 Ų149141.3 Ų141.365%0.65470%0.697SS**Hα-helixtrans-74.6-33.2-177-101.5-87.1000113.6
484T37.6Very low35.1Very low90 Ų90135.5 Ų135.555%0.55268%0.682SS**Hα-helixtrans-75.6-3017839.80000112.4L481 V488L481-T484 PolarHBondContact O-OG1 3.11Å; T484-V488 WeakPolarHBondContact O-CG2 3.15Å; T484-V488 PolarHBondContact O-N 2.81Å
485L35.2Very low35.8Very low102 Ų102134.8 Ų134.853%0.53467%0.67SS.*Hα-helixtrans-73.3-30.2176.7-105.8105.8000113.8K489L485-K489 WeakPolarHBondContact O-CB 3.01Å; L485-K489 PolarHBondContact O-N 2.98Å; L485-K489 VanDerWaalsContact O-N 3.15Å
486I39.3Very low36.3Very low96 Ų96135.3 Ų135.349%0.49266%0.658SS.*Hα-helixtrans-71.5-42.6177.6-67.7166.4000110.4E482 V488 K489 T490E482-I486 WeakPolarHBondContact O-CG1 3.36Å; E482-I486 PolarHBondContact O-N 3.17Å; I486-V488 PolarHBondContact O-N 3.05Å; I486-K489 PolarHBondContact O-N 3.06Å; I486-T490 PolarHBondContact O-N 2.61Å; I486-T490 PolarHBondContact O-OG1 3.44Å
487W36.7Very low36.9Very low196 Ų196128.2 Ų128.274%0.74264%0.643SS**Hα-helixtrans-65.2-38.8178-86.580.7000113.2W491W487-W491 PolarHBondContact O-N 3.31Å
488V40.8Very low37.1Very low105 Ų105123.4 Ų123.464%0.63664%0.638SS**Hα-helixtrans-71.2-35.4177.5175.90000111.7T484 I486 H492T484-V488 WeakPolarHBondContact O-CG2 3.15Å; T484-V488 PolarHBondContact O-N 2.81Å; I486-V488 PolarHBondContact O-N 3.05Å; V488-H492 WeakPolarHBondContact O-CB 3.39Å; V488-H492 PolarHBondContact O-N 2.75Å; V488-H492 VanDerWaalsContact O-N 3.11Å
489K33.8Very low36.9Very low149 Ų149123.4 Ų123.465%0.64864%0.637SS**Hα-helixtrans-71.7-36.5176.3-89.7-178.7173.2177.20113.4L485 I486 H492 Y493L485-K489 WeakPolarHBondContact O-CB 3.01Å; L485-K489 PolarHBondContact O-N 2.98Å; L485-K489 VanDerWaalsContact O-N 3.15Å; I486-K489 PolarHBondContact O-N 3.06Å; K489-H492 PolarHBondContact O-N 3.11Å; K489-Y493 PolarHBondContact O-N 2.97Å
490T39.6Very low36.7Very low81 Ų81124.3 Ų124.350%0.49764%0.635SS.*Hα-helixtrans-70.3-35.9177.4-49.90000111.6I486 Y493 I494I486-T490 PolarHBondContact O-N 2.61Å; I486-T490 PolarHBondContact O-OG1 3.44Å; T490-Y493 PolarHBondContact O-N 3.29Å; T490-I494 HydrophobicContact CG2-CD1 4.31Å; T490-I494 WeakPolarHBondContact O-CD1 3.37Å; T490-I494 WeakPolarHBondContact O-CG1 3.25Å; T490-I494 PolarHBondContact O-N 3.49Å
491W37.7Very low36.7Very low189 Ų189128 Ų12872%0.71665%0.645SS**Hα-helixtrans-71.2-34.6175.8-131.935.8000112.8W487 Y493 I494 L495W487-W491 PolarHBondContact O-N 3.31Å; W491-Y493 VanDerWaalsContact C-N 3.34Å; W491-Y493 PolarHBondContact O-N 3.38Å; W491-I494 PolarHBondContact O-N 2.77Å; W491-L495 PolarHBondContact O-N 3.17Å; W491-L495 VanDerWaalsContact O-N 3.14Å
492H36Very low36.8Very low134 Ų134126.9 Ų126.962%0.6265%0.646SS**Hα-helixtrans-70.1-30.5176.4-147.240.8000112.7V488 K489 T496V488-H492 WeakPolarHBondContact O-CB 3.39Å; V488-H492 PolarHBondContact O-N 2.75Å; V488-H492 VanDerWaalsContact O-N 3.11Å; K489-H492 PolarHBondContact O-N 3.11Å; H492-T496 PolarHBondContact O-N 3.23Å; H492-T496 PolarHBondContact O-OG1 2.73Å
493Y34.4Very low36.8Very low175 Ų175126.8 Ų126.869%0.68668%0.684SS**Hα-helixtrans-71.9-34.1174.5-134.2-89.9000112.4K489 T490 W491 T496 V497K489-Y493 PolarHBondContact O-N 2.97Å; T490-Y493 PolarHBondContact O-N 3.29Å; W491-Y493 VanDerWaalsContact C-N 3.34Å; W491-Y493 PolarHBondContact O-N 3.38Å; Y493-T496 PolarHBondContact O-OG1 2.78Å; Y493-V497 HydrophobicContact CD1-CG2 4.1Å; Y493-V497 HydrophobicContact CE1-CG2 4.28Å; Y493-V497 VanDerWaalsContact O-CG2 3.32Å; Y493-V497 WeakPolarHBondContact O-CG2 3.44Å; Y493-V497 PolarHBondContact O-N 2.71Å
494I42.4Very low36.9Very low112 Ų112125.7 Ų125.757%0.57469%0.686SS**Hα-helixtrans-71-36176.3-67.7166.2000111.2T490 W491T490-I494 HydrophobicContact CG2-CD1 4.31Å; T490-I494 WeakPolarHBondContact O-CD1 3.37Å; T490-I494 WeakPolarHBondContact O-CG1 3.25Å; T490-I494 PolarHBondContact O-N 3.49Å; W491-I494 PolarHBondContact O-N 2.77Å
495L39.1Very low36.8Very low106 Ų106127.5 Ų127.556%0.55569%0.693SS**Hα-helixtrans-75.6-25.3176.9-99.7130.5000114.4W491W491-L495 PolarHBondContact O-N 3.17Å; W491-L495 VanDerWaalsContact O-N 3.14Å
496T37.8Very low36.9Very low87 Ų87128.9 Ų128.953%0.53470%0.702SS.*Hα-helixtrans-88-23.6179.234.10000113.6H492 Y493H492-T496 PolarHBondContact O-N 3.23Å; H492-T496 PolarHBondContact O-OG1 2.73Å; Y493-T496 PolarHBondContact O-OG1 2.78Å
497V40.2Very low36.8Very low106 Ų106130.9 Ų130.964%0.64271%0.714SS**Hα-helixtrans-87.3-15.7176.2-1790000112.5Y493 L499Y493-V497 HydrophobicContact CD1-CG2 4.1Å; Y493-V497 HydrophobicContact CE1-CG2 4.28Å; Y493-V497 VanDerWaalsContact O-CG2 3.32Å; Y493-V497 WeakPolarHBondContact O-CG2 3.44Å; Y493-V497 PolarHBondContact O-N 2.71Å; V497-L499 VanDerWaalsContact C-N 3.34Å; V497-L499 PolarHBondContact O-N 3.2Å
498G38.3Very low36.8Very low66 Ų66126.8 Ų126.868%0.6871%0.712SS**THydrogen-bonded Turntrans-83.13.7175.300000116.1
499L36.8Very low36.5Very low139 Ų139128.3 Ų128.373%0.72872%0.717SS**SBendtrans-128.341.7-176.1-90.5161.7000112.5V497V497-L499 VanDerWaalsContact C-N 3.34Å; V497-L499 PolarHBondContact O-N 3.2Å
500F30.1Very low36.7Very low183 Ų183126.8 Ų126.880%0.80372%0.722SS**  trans-148.591.8163.4-104-85000110.5
501V32.4Very low36.5Very low137 Ų137130.3 Ų130.383%0.8374%0.74SS**  trans-114.6114.3154.4177.80000106.3
502P34.3Very low36.4Very low114 Ų114125.4 Ų125.474%0.7474%0.742SS**  trans-102.3128.915532.9-21.8000109.4
503G34.8Very low36.4Very low146 Ų146124.6 Ų124.6100%1.50575%0.753SS**  trans114.60170.700000113.4

Retrieved 503 of 503 residues in 329.8 ms (Link to these results)