A0A096MNP6_PAPAN Loading...

Ring finger protein 128

AlphaFold DB , UniProt , Accession A0A096MNP6, Species PAPAN (Papio anubis, Olive baboon), Gene RNF128, Length 428 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
1M37.6Very low37.2Very low246 Ų246133 Ų133100%1.21284%0.835SS**  0118.60-75.3169.3172.800107.3
2G37.1Very low37.3Very low70 Ų70141.3 Ų141.372%0.72284%0.838SS**  trans-71.5177.4170.700000111.8
3P40.8Very low37.7Very low129 Ų129136.8 Ų136.884%0.83884%0.839SS**  -140.3-162.253.749.4-31.6000112.7
4P45.3Very low38.1Very low112 Ų112132.7 Ų132.773%0.72784%0.838SS**  trans-111.3176.2-131.523.52.1000115.1
5P40.9Very low38.5Very low127 Ų127131.5 Ų131.583%0.82583%0.834SS**PPolyproline II helixtrans-74.3133.2168.129.8-31.6000111.3
6R36.6Very low38.7Very low252 Ų252126.9 Ų126.995%0.95182%0.818SS**PPolyproline II helixtrans-70.7138.4176.3-91.3-177.2178.6-178.90.3111.4
7A35.6Very low39.4Very low94 Ų94124.5 Ų124.578%0.77781%0.806SS**PPolyproline II helixtrans-56.2148.1-176.800000114.9
8G34.3Very low40Very low76 Ų76122.6 Ų122.678%0.78480%0.796SS**PPolyproline II helixtrans-63.6140167.500000112.5
9V34.9Very low40.6Very low131 Ų131126.7 Ų126.779%0.79479%0.794SS**  trans-90.2103.6165.6177.90000107.4C11V9-C11 PolarHBondContact O-N 3.13Å
10S32.7Very low41.2Very low106 Ų106126.9 Ų126.974%0.74179%0.788SS**  trans-70.3103.8162.1-178.50000108.2R12S10-R12 VanDerWaalsContact C-N 3.34Å; S10-R12 PolarHBondContact O-N 3.24Å
11C33Very low41.7Very low120 Ų120126.9 Ų126.981%0.81178%0.782SS**  trans-70.492.7166.2-75.50000108.9V9 G13V9-C11 PolarHBondContact O-N 3.13Å; C11-G13 PolarHBondContact O-N 2.88Å
12R38.6Very low42.3Very low233 Ų233117.5 Ų117.588%0.87974%0.744SS**  trans-65.7121163-94.9-178.3172.3-143.7-1108.9S10S10-R12 VanDerWaalsContact C-N 3.34Å; S10-R12 PolarHBondContact O-N 3.24Å
13G42.2Very low42.8Very low82 Ų82123.4 Ų123.485%0.84575%0.745SS**  trans-60.4153.2167.900000112.6C11C11-G13 PolarHBondContact O-N 2.88Å
14G44.2Very low43.4Very low80 Ų80121.5 Ų121.583%0.82573%0.734SS**  trans142.755.4169.400000114.2
15C44.2Very low43.5Very low115 Ų115123.4 Ų123.478%0.77773%0.731SS**  trans-140.751.3166.6-143.70000111.7
16G41.6Very low43.7Very low57 Ų57123 Ų12359%0.58872%0.721SS**SBendtrans-104.9-16.3177.400000114.9
17S49.9Very low44.2Very low86 Ų86117.7 Ų117.760%0.60171%0.711SS**SBendtrans-96.2-14.8-170.555.30000114.6
18S50.5Low44.6Very low90 Ų90117.2 Ų117.263%0.62971%0.707SS**Hα-helixtrans-80.7-19.7-177.8-160.50000113.6
19R51Low44.9Very low202 Ų202119.7 Ų119.776%0.76270%0.702SS**Hα-helixtrans-85-27.4-178.2-66.8-171.8176.4-165.9-1.2113.2
20L52.4Low45Very low130 Ų130117.1 Ų117.168%0.68169%0.689SS**Hα-helixtrans-76.4-35.6-178.4-79.4156.5000113.1A22 W23L20-A22 VanDerWaalsContact C-N 3.35Å; L20-W23 PolarHBondContact O-N 3.39Å
21L52.3Low45.4Very low126 Ų126117.8 Ų117.866%0.6669%0.691SS**Hα-helixtrans-73.8-26.4177-70.6170.8000112.9W23L21-W23 VanDerWaalsContact C-N 3.35Å
22A49.9Very low45.6Very low50 Ų50119.8 Ų119.841%0.41369%0.689SS.*Hα-helixtrans-69.8-30.8176.100000112.6L20 L26L20-A22 VanDerWaalsContact C-N 3.35Å; A22-L26 WeakPolarHBondContact O-CD1 3.07Å; A22-L26 WeakPolarHBondContact O-CG 3.43Å; A22-L26 PolarHBondContact O-N 2.96Å
23W48.2Very low45.3Very low193 Ų193112.1 Ų112.173%0.73168%0.675SS**Hα-helixtrans-75.8-32.6-179.9-80.153.2000112.9L20 L21 L26 L27L20-W23 PolarHBondContact O-N 3.39Å; L21-W23 VanDerWaalsContact C-N 3.35Å; W23-L26 PolarHBondContact O-N 2.78Å; W23-L27 PolarHBondContact O-N 2.98Å
24C52.3Low45Very low90 Ų90115.1 Ų115.161%0.60868%0.68SS**Hα-helixtrans-70.1-32175.5-65.10000112.8
25F47.8Very low44.6Very low152 Ų152114.8 Ų114.867%0.66768%0.676SS**Hα-helixtrans-75.3-30.5174.9-97.8-82.2000113A28 L29F25-A28 PolarHBondContact O-N 3.03Å; F25-L29 HydrophobicContact CD1-CD1 4.4Å; F25-L29 PolarHBondContact O-N 3.09Å
26L45.9Very low44.2Very low117 Ų117113 Ų11361%0.61366%0.664SS**Hα-helixtrans-72.5-28.4177.8-75.5166.6000113.1A22 W23 S30A22-L26 WeakPolarHBondContact O-CD1 3.07Å; A22-L26 WeakPolarHBondContact O-CG 3.43Å; A22-L26 PolarHBondContact O-N 2.96Å; W23-L26 PolarHBondContact O-N 2.78Å; L26-S30 PolarHBondContact O-N 3.46Å; L26-S30 PolarHBondContact O-OG 3.49Å
27L47.6Very low44.2Very low141 Ų141118.1 Ų118.174%0.73867%0.666SS**Hα-helixtrans-74.9-23.8173.9-78.5164.8000113.5W23W23-L27 PolarHBondContact O-N 2.98Å
28A44.1Very low44Very low84 Ų84116.9 Ų116.969%0.69467%0.667SS**Hα-helixtrans-87-16.7177.300000113.5F25F25-A28 PolarHBondContact O-N 3.03Å
29L40.2Very low44.4Very low129 Ų129115.9 Ų115.968%0.67567%0.665SS**SBendtrans-114.47.6-177.3-78.5160.3000113.6F25 P31F25-L29 HydrophobicContact CD1-CD1 4.4Å; F25-L29 PolarHBondContact O-N 3.09Å; L29-P31 WeakPolarHBondContact O-CD 3.35Å
30S37.1Very low45.2Very low77 Ų77111 Ų11154%0.53865%0.65SS.*  trans-53.8114.9167.3-62.10000108.2L26 Q32L26-S30 PolarHBondContact O-N 3.46Å; L26-S30 PolarHBondContact O-OG 3.49Å; S30-Q32 PolarHBondContact O-N 3.43Å
31P40.6Very low46.4Very low119 Ų119106.1 Ų106.177%0.77363%0.628SS**  trans-54.8131.4165.9-14.528.5000105.7L29 A33L29-P31 WeakPolarHBondContact O-CD 3.35Å; P31-A33 PolarHBondContact O-N 2.79Å
32Q37.9Very low48.2Very low163 Ų163101.6 Ų101.676%0.76261%0.606SS**  trans-43.7119.9170.3-72.6172.36.300107.6S30S30-Q32 PolarHBondContact O-N 3.43Å
33A31.6Very low50.4Low72 Ų72103.1 Ų103.160%0.59560%0.601SS**  trans-50.8133.3169.800000107.3P31 G35 S36P31-A33 PolarHBondContact O-N 2.79Å; A33-G35 PolarHBondContact O-N 2.83Å; A33-S36 PolarHBondContact O-N 2.81Å
34P35.4Very low52.6Low145 Ų14594.9 Ų94.994%0.94257%0.572SS**THydrogen-bonded Turntrans-66.588.9174.727.1-30.8000107.2
35G35.4Very low54.8Low73 Ų7390.6 Ų90.675%0.75354%0.543SS*.THydrogen-bonded Turntrans173.9-23.9-17000000114.1A33 R37A33-G35 PolarHBondContact O-N 2.83Å; G35-R37 PolarHBondContact O-N 2.84Å
36S36.1Very low57.2Low76 Ų7686.7 Ų86.753%0.53153%0.525SS..  trans-94.268.6168.970.40000110.7A33 G38A33-S36 PolarHBondContact O-N 2.81Å; S36-G38 VanDerWaalsContact C-N 3.33Å; S36-G38 PolarHBondContact O-N 2.92Å
37R42.8Very low59.7Low165 Ų16581.1 Ų81.162%0.62350%0.495SS*.  trans-58.9108152.1-84.4-173.8173.7-178.8-2.9105.1G35 A39G35-R37 PolarHBondContact O-N 2.84Å; R37-A39 PolarHBondContact O-N 2.98Å
38G44.8Very low62.1Low60 Ų6077.2 Ų77.262%0.61948%0.475SS*.  trans-48.3139176.300000108.9S36 E40S36-G38 VanDerWaalsContact C-N 3.33Å; S36-G38 PolarHBondContact O-N 2.92Å; G38-E40 PolarHBondContact O-N 3.26Å
39A58.8Low64.6Low70 Ų7073.2 Ų73.258%0.57944%0.442SS*.  trans-42107-173.100000110R37 P201R37-A39 PolarHBondContact O-N 2.98Å; A39-P201 HydrophobicContact CB-CB 3.64Å; A39-P201 WeakPolarHBondContact O-CB 3.41Å; A39-P201 VanDerWaalsContact O-CD 3.27Å; A39-P201 WeakPolarHBondContact O-CD 3.37Å; A39-P201 WeakPolarHBondContact O-CG 3.27Å
40E67.3Low67.3Low100 Ų10068.6 Ų68.647%0.46742%0.421SS..PPolyproline II helixtrans-81.9149.4-173.7-158.4166.1-171.500108.1G38 V42G38-E40 PolarHBondContact O-N 3.26Å; E40-V42 PolarHBondContact O-N 3.06Å
41A78.6Confident70Confident26 Ų2665.9 Ų65.922%0.21540%0.399CS..PPolyproline II helixtrans-63.8127.6-179.800000110K198 H199A41-K198 HydrophobicContact CB-CD 4.14Å; A41-K198 HydrophobicContact CB-CG 3.85Å; A41-H199 CarbonylContact C-O 3.6Å; A41-H199 WeakPolarHBondContact CA-O 3.45Å
42V90.5Very high72.3Confident32 Ų3266.5 Ų66.519%0.19439%0.386CS..EExtended strand (participates in β ladder)trans-97.3134.5-180-177.30000109E40 V70 P157 H199E40-V42 PolarHBondContact O-N 3.06Å; V42-V70 HydrophobicContact CG1-CB 3.65Å; V42-V70 HydrophobicContact CG1-CG1 3.6Å; V42-V70 HydrophobicContact CG1-CG2 4.44Å; V42-P157 HydrophobicContact CG2-CB 4.08Å; V42-P157 HydrophobicContact CG2-CG 4.48Å; V42-H199 PolarHBondContact N-O 3.17Å; V42-H199 PolarHBondContact O-N 3.38Å
43W94.6Very high74.4Confident81 Ų8161.1 Ų61.131%0.30736%0.364SS..EExtended strand (participates in β ladder)trans-97.1124.8174.4-69.486.6000109.7V70 Y71 L77 V195 K198W43-V70 CarbonylContact O-C 3.56Å; W43-V70 WeakPolarHBondContact O-CA 3.49Å; W43-Y71 HydrophobicContact CB-CD2 4.35Å; W43-Y71 PolarHBondContact O-N 2.98Å; W43-L77 HydrophobicContact CB-CD2 3.86Å; W43-L77 HydrophobicContact CD2-CD1 4.03Å; W43-L77 HydrophobicContact CD2-CD2 4.32Å; W43-L77 HydrophobicContact CG-CD1 4.07Å; W43-L77 HydrophobicContact CG-CD2 3.79Å; W43-L77 HydrophobicContact CZ2-CD1 4.18Å; W43-V195 HydrophobicContact CE3-CG1 3.76Å; W43-V195 HydrophobicContact CZ3-CG1 4.06Å; W43-K198 HydrophobicContact CD2-CB 3.94Å; W43-K198 HydrophobicContact CD2-CG 4.2Å; W43-K198 HydrophobicContact CE3-CB 3.88Å; W43-K198 HydrophobicContact CH2-CB 3.88Å; W43-K198 HydrophobicContact CH2-CD 4.21Å; W43-K198 HydrophobicContact CH2-CG 4.41Å; W43-K198 HydrophobicContact CZ2-CB 3.93Å; W43-K198 HydrophobicContact CZ2-CD 3.66Å; W43-K198 HydrophobicContact CZ2-CG 3.96Å; W43-K198 HydrophobicContact CZ3-CB 3.85Å
44T96.3Very high76.2Confident21 Ų2160.8 Ų60.813%0.12936%0.355CS..EExtended strand (participates in β ladder)trans-71.1164.3170.655.30000110.3E67 G69 Y71 G196 K197 H199T44-E67 PolarHBondContact OG1-OE1 2.89Å; T44-G69 WeakPolarHBondContact CA-O 3.27Å; T44-Y71 WeakPolarHBondContact O-CD2 3.28Å; T44-G196 WeakPolarHBondContact O-CA 3.18Å; T44-G196 PolarHBondContact O-N 3.45Å; T44-K197 PolarHBondContact N-O 3.44Å; T44-K197 PolarHBondContact OG1-N 3.02Å; T44-K197 PolarHBondContact OG1-O 2.74Å; T44-H199 WeakPolarHBondContact CG2-ND1 3.48Å
45A97.6Very high77.7Confident0 Ų063.2 Ų63.20%035%0.354CS..EExtended strand (participates in β ladder)trans-114.3139.817200000110.7L47 E67 E68 G69 Y71 I169 I193A45-L47 HydrophobicContact CB-CD2 3.78Å; A45-L47 HydrophobicContact CB-CG 4.5Å; A45-E67 WeakPolarHBondContact O-CA 3.5Å; A45-E68 PolarHBondContact O-N 2.9Å; A45-E68 VanDerWaalsContact O-N 3.11Å; A45-E68 VanDerWaalsContact O-O 3.11Å; A45-G69 PolarHBondContact N-O 3.39Å; A45-Y71 HydrophobicContact CB-CD2 3.97Å; A45-Y71 HydrophobicContact CB-CE2 3.61Å; A45-I169 HydrophobicContact CB-CG2 4.29Å; A45-I193 HydrophobicContact CB-CG2 4.12Å
46Y98Very high78.8Confident69 Ų6962.6 Ų62.627%0.27134%0.336SS..EExtended strand (participates in β ladder)trans-88.6120162.1-72.7-66000107.9E67 I193 E194 K197Y46-E67 HydrophobicContact CD1-CB 3.71Å; Y46-E67 HydrophobicContact CD1-CG 3.83Å; Y46-E67 HydrophobicContact CE1-CB 3.45Å; Y46-E67 VanDerWaalsContact CE1-CB 3.45Å; Y46-E67 HydrophobicContact CE1-CG 3.43Å; Y46-E67 VanDerWaalsContact CE1-CG 3.43Å; Y46-E67 WeakPolarHBondContact CE1-OE2 3.06Å; Y46-E67 VanDerWaalsContact OH-CD 3.3Å; Y46-E67 PolarHBondContact OH-OE2 3.14Å; Y46-I193 WeakPolarHBondContact O-CA 3.41Å; Y46-E194 PolarHBondContact N-O 3.05Å; Y46-E194 PolarHBondContact O-N 3.49Å; Y46-K197 VanDerWaalsContact OH-CE 3.27Å; Y46-K197 WeakPolarHBondContact OH-CE 3.23Å; Y46-K197 PolarHBondContact OH-NZ 3.32Å
47L97.9Very high79.6Confident0 Ų062.7 Ų62.70%035%0.348CS..EExtended strand (participates in β ladder)trans-109.1123.8179.9-50.9-174.8000109.3A45 V49 L65 S66 E68 I169 I171 M191 V192 I193A45-L47 HydrophobicContact CB-CD2 3.78Å; A45-L47 HydrophobicContact CB-CG 4.5Å; L47-V49 HydrophobicContact CB-CG2 4.3Å; L47-L65 WeakPolarHBondContact O-CA 3.42Å; L47-S66 PolarHBondContact N-O 2.9Å; L47-S66 PolarHBondContact O-N 3.29Å; L47-E68 HydrophobicContact CD1-CG 3.59Å; L47-E68 WeakPolarHBondContact CD1-O 3.44Å; L47-E68 HydrophobicContact CG-CG 4.2Å; L47-E68 WeakPolarHBondContact CG-O 3.32Å; L47-I169 HydrophobicContact CD1-CD1 4.43Å; L47-I169 HydrophobicContact CD2-CD1 3.51Å; L47-I171 HydrophobicContact CD1-CG2 3.6Å; L47-M191 HydrophobicContact CD1-CE 4.23Å; L47-M191 HydrophobicContact CD2-SD 4.3Å; L47-V192 WeakPolarHBondContact CA-O 3.44Å; L47-I193 HydrophobicContact CD2-CB 4.43Å; L47-I193 HydrophobicContact CD2-CG1 4.09Å; L47-I193 HydrophobicContact CD2-CG2 4.06Å
48N97.6Very high80.5Confident59 Ų5961.3 Ų61.332%0.31636%0.358SS..EExtended strand (participates in β ladder)trans-110.3102.7166.2-173.2-5.3000108.5L65 M191 V192N48-L65 HydrophobicContact CB-CD1 3.96Å; N48-M191 WeakPolarHBondContact O-CA 3.43Å; N48-V192 HydrophobicContact CB-CB 4.19Å; N48-V192 PolarHBondContact N-O 2.99Å; N48-V192 PolarHBondContact O-N 3.01Å
49V97.5Very high81.6Confident0 Ų064.2 Ų64.20%036%0.359CS..EExtended strand (participates in β ladder)trans-102.7130.1-176.7-171.20000109L47 W51 W63 E64 I179 V189 M191L47-V49 HydrophobicContact CB-CG2 4.3Å; V49-W51 HydrophobicContact CB-CH2 3.7Å; V49-W51 HydrophobicContact CB-CZ2 4.36Å; V49-W51 HydrophobicContact CB-CZ3 3.87Å; V49-W51 HydrophobicContact CG1-CD2 4.41Å; V49-W51 HydrophobicContact CG1-CE3 4.25Å; V49-W51 HydrophobicContact CG1-CH2 3.46Å; V49-W51 VanDerWaalsContact CG1-CH2 3.46Å; V49-W51 HydrophobicContact CG1-CZ2 3.62Å; V49-W51 HydrophobicContact CG1-CZ3 3.79Å; V49-W51 VanDerWaalsContact O-CZ3 3.25Å; V49-W51 WeakPolarHBondContact O-CZ3 3.22Å; V49-W63 CarbonylContact O-C 3.53Å; V49-W63 WeakPolarHBondContact O-CA 3.27Å; V49-E64 PolarHBondContact N-O 3.04Å; V49-E64 PolarHBondContact O-N 2.69Å; V49-I179 HydrophobicContact CG1-CD1 4.29Å; V49-I179 HydrophobicContact CG1-CG1 4.45Å; V49-V189 HydrophobicContact CG1-CG1 3.51Å; V49-M191 HydrophobicContact CG2-CE 3.58Å; V49-M191 HydrophobicContact CG2-CG 4.26Å
50S95.9Very high82.3Confident32 Ų3268.9 Ų68.922%0.22436%0.362CS..EExtended strand (participates in β ladder)trans-124.3135.8179.861.30000111.8V62 V189 T190S50-V62 CarbonylContact C-O 3.57Å; S50-V62 VanDerWaalsContact CA-O 3.3Å; S50-V62 WeakPolarHBondContact CA-O 3.21Å; S50-V189 CarbonylContact O-C 3.46Å; S50-V189 VanDerWaalsContact O-CA 3.3Å; S50-V189 WeakPolarHBondContact O-CA 3.3Å; S50-V189 WeakPolarHBondContact O-CG1 3.29Å; S50-T190 PolarHBondContact N-O 3.49Å; S50-T190 PolarHBondContact O-N 3.21Å; S50-T190 WeakPolarHBondContact OG-CB 3.25Å; S50-T190 PolarHBondContact OG-O 3.49Å
51W94.4Very high83Confident20 Ų2067.9 Ų67.98%0.07636%0.363CS..EExtended strand (participates in β ladder)trans-111.9122.9178.6-67.8-99.9000109.7V49 V53 T61 V62 E64 I179 S182 I187 V189V49-W51 HydrophobicContact CB-CH2 3.7Å; V49-W51 HydrophobicContact CB-CZ2 4.36Å; V49-W51 HydrophobicContact CB-CZ3 3.87Å; V49-W51 HydrophobicContact CG1-CD2 4.41Å; V49-W51 HydrophobicContact CG1-CE3 4.25Å; V49-W51 HydrophobicContact CG1-CH2 3.46Å; V49-W51 VanDerWaalsContact CG1-CH2 3.46Å; V49-W51 HydrophobicContact CG1-CZ2 3.62Å; V49-W51 HydrophobicContact CG1-CZ3 3.79Å; V49-W51 VanDerWaalsContact O-CZ3 3.25Å; V49-W51 WeakPolarHBondContact O-CZ3 3.22Å; W51-V53 PolarHBondContact O-N 3.47Å; W51-T61 WeakPolarHBondContact O-CA 3.39Å; W51-V62 PolarHBondContact N-O 3.32Å; W51-V62 PolarHBondContact O-N 2.94Å; W51-V62 VanDerWaalsContact O-N 3.12Å; W51-E64 HydrophobicContact CH2-CB 4Å; W51-E64 WeakPolarHBondContact CH2-OE2 3.36Å; W51-E64 HydrophobicContact CZ3-CB 3.7Å; W51-I179 HydrophobicContact CZ2-CG1 4.25Å; W51-S182 PolarHBondContact NE1-OG 3.48Å; W51-I187 HydrophobicContact CB-CG2 4.08Å; W51-V189 HydrophobicContact CG-CG2 4.34Å
52R89.7Confident83.5Confident133 Ų13370.2 Ų70.250%0.50237%0.374SS..EExtended strand (participates in β ladder)trans-85.597175.9-172.3179.4-179.5-166.7-0.3110P54 Q188R52-P54 WeakPolarHBondContact O-CD 3.45Å; R52-Q188 HydrophobicContact CB-CB 4.24Å; R52-Q188 PolarHBondContact N-O 2.94Å
53V80.8Confident83.5Confident50 Ų5076.6 Ų76.630%0.30340%0.395SS..  trans-75123.7-175.9-174.90000110.3W51 T56 R60 V62W51-V53 PolarHBondContact O-N 3.47Å; V53-T56 HydrophobicContact CG1-CG2 4.49Å; V53-R60 PolarHBondContact N-O 3.4Å; V53-V62 HydrophobicContact CG2-CG2 4.08Å
54P70.8Confident83.5Confident64 Ų6475.7 Ų75.742%0.41639%0.394SS..SBendtrans-77.2156.3175.630.9-32.8000111.9R52 T56R52-P54 WeakPolarHBondContact O-CD 3.45Å; P54-T56 VanDerWaalsContact C-N 3.34Å; P54-T56 PolarHBondContact O-N 2.79Å
55H65.9Low83.4Confident196 Ų19679.8 Ų79.891%0.90742%0.415SS*.SBendtrans67.65.7168.9-49.1-63.6000119.3
56T59.6Low83.3Confident61 Ų6180.9 Ų80.937%0.37442%0.422SS..SBendtrans-99.9109.3163.959.50000108V53 P54 V58 R60V53-T56 HydrophobicContact CG1-CG2 4.49Å; P54-T56 VanDerWaalsContact C-N 3.34Å; P54-T56 PolarHBondContact O-N 2.79Å; T56-V58 PolarHBondContact O-N 2.76Å; T56-R60 WeakPolarHBondContact OG1-CB 3.43Å
57G53.2Low83.1Confident77 Ų7781 Ų8179%0.79443%0.426SS*.THydrogen-bonded Turntrans-38.2129.9-173.500000114.1
58V61.7Low82.8Confident137 Ų13783.3 Ų83.383%0.8344%0.436SS*.THydrogen-bonded Turntrans62.9101.8-173.5-171.70000114.1T56 R60T56-V58 PolarHBondContact O-N 2.76Å; V58-R60 VanDerWaalsContact C-N 3.27Å; V58-R60 PolarHBondContact O-N 3.08Å
59N66.4Low82.7Confident120 Ų12080.8 Ų80.864%0.64242%0.424SS*.THydrogen-bonded Turntrans22.851.2155.8-71.1-21.9000117.4T61N59-T61 PolarHBondContact O-N 3.35Å; N59-T61 VanDerWaalsContact O-N 3.1Å
60R73.9Confident82.7Confident168 Ų16881.4 Ų81.463%0.63443%0.428SS*.  trans-75.9108.5179.5-168.4173.9176.4167.7-1.4109V53 T56 V58V53-R60 PolarHBondContact N-O 3.4Å; T56-R60 WeakPolarHBondContact OG1-CB 3.43Å; V58-R60 VanDerWaalsContact C-N 3.27Å; V58-R60 PolarHBondContact O-N 3.08Å
61T82.6Confident82.7Confident80 Ų8080.1 Ų80.149%0.49142%0.418SS..EExtended strand (participates in β ladder)trans-97.1122.5172.752.40000109.6W51 N59W51-T61 WeakPolarHBondContact O-CA 3.39Å; N59-T61 PolarHBondContact O-N 3.35Å; N59-T61 VanDerWaalsContact O-N 3.1Å
62V89.3Confident82.8Confident75 Ų7579.3 Ų79.346%0.45542%0.417SS..EExtended strand (participates in β ladder)trans-88.9138.9164.9-179.50000106.9S50 W51 V53S50-V62 CarbonylContact C-O 3.57Å; S50-V62 VanDerWaalsContact CA-O 3.3Å; S50-V62 WeakPolarHBondContact CA-O 3.21Å; W51-V62 PolarHBondContact N-O 3.32Å; W51-V62 PolarHBondContact O-N 2.94Å; W51-V62 VanDerWaalsContact O-N 3.12Å; V53-V62 HydrophobicContact CG2-CG2 4.08Å
63W90.1Very high83Confident165 Ų16576.1 Ų76.163%0.62541%0.407SS*.EExtended strand (participates in β ladder)trans-133.4155.2178.160.8-92.5000111.5V49 L65V49-W63 CarbonylContact O-C 3.53Å; V49-W63 WeakPolarHBondContact O-CA 3.27Å; W63-L65 HydrophobicContact CE3-CB 4.22Å; W63-L65 HydrophobicContact CZ3-CB 3.84Å
64E94.2Very high83.7Confident62 Ų6276.6 Ų76.629%0.2941%0.408SS..EExtended strand (participates in β ladder)trans-137.6118.3-179-169.3-176.9149.400107.9V49 W51 K175 K178V49-E64 PolarHBondContact N-O 3.04Å; V49-E64 PolarHBondContact O-N 2.69Å; W51-E64 HydrophobicContact CH2-CB 4Å; W51-E64 WeakPolarHBondContact CH2-OE2 3.36Å; W51-E64 HydrophobicContact CZ3-CB 3.7Å; E64-K175 IonicContact OE1-NZ 3.65Å; E64-K175 PolarHBondContact OE1-NZ 3.42Å; E64-K175 IonicContact OE2-NZ 3.56Å; E64-K175 PolarHBondContact OE2-NZ 2.95Å; E64-K178 IonicContact OE2-NZ 3.93Å; E64-K178 PolarHBondContact OE2-NZ 2.94Å
65L94.8Very high84.9Confident107 Ų10774.1 Ų74.156%0.5639%0.392SS*.EExtended strand (participates in β ladder)trans-102.2127.8174.7-179.868.5000109.3L47 N48 W63L47-L65 WeakPolarHBondContact O-CA 3.42Å; N48-L65 HydrophobicContact CB-CD1 3.96Å; W63-L65 HydrophobicContact CE3-CB 4.22Å; W63-L65 HydrophobicContact CZ3-CB 3.84Å
66S94.6Very high86.4Confident23 Ų2366.5 Ų66.516%0.16136%0.36CS..EExtended strand (participates in β ladder)trans-149.9142.3-177.547.70000112L47 E68L47-S66 PolarHBondContact N-O 2.9Å; L47-S66 PolarHBondContact O-N 3.29Å; S66-E68 PolarHBondContact O-N 2.98Å; S66-E68 WeakPolarHBondContact OG-CG 3.48Å; S66-E68 PolarHBondContact OG-OE1 3.39Å
67E94.6Very high88.2Confident73 Ų7367.4 Ų67.434%0.34136%0.362SS..EExtended strand (participates in β ladder)trans-84.884.9162.9-163177.9159.900107.8T44 A45 Y46 K197T44-E67 PolarHBondContact OG1-OE1 2.89Å; A45-E67 WeakPolarHBondContact O-CA 3.5Å; Y46-E67 HydrophobicContact CD1-CB 3.71Å; Y46-E67 HydrophobicContact CD1-CG 3.83Å; Y46-E67 HydrophobicContact CE1-CB 3.45Å; Y46-E67 VanDerWaalsContact CE1-CB 3.45Å; Y46-E67 HydrophobicContact CE1-CG 3.43Å; Y46-E67 VanDerWaalsContact CE1-CG 3.43Å; Y46-E67 WeakPolarHBondContact CE1-OE2 3.06Å; Y46-E67 VanDerWaalsContact OH-CD 3.3Å; Y46-E67 PolarHBondContact OH-OE2 3.14Å; E67-K197 IonicContact OE1-NZ 2.82Å; E67-K197 IonicContact OE2-NZ 3.06Å; E67-K197 PolarHBondContact OE2-NZ 3.5Å
68E92.1Very high90.3Very high47 Ų4768.8 Ų68.822%0.2235%0.348CS..EExtended strand (participates in β ladder)trans-141.3150.4-179.974.3-179.2162.300110.5A45 L47 S66 K175A45-E68 PolarHBondContact O-N 2.9Å; A45-E68 VanDerWaalsContact O-N 3.11Å; A45-E68 VanDerWaalsContact O-O 3.11Å; L47-E68 HydrophobicContact CD1-CG 3.59Å; L47-E68 WeakPolarHBondContact CD1-O 3.44Å; L47-E68 HydrophobicContact CG-CG 4.2Å; L47-E68 WeakPolarHBondContact CG-O 3.32Å; S66-E68 PolarHBondContact O-N 2.98Å; S66-E68 WeakPolarHBondContact OG-CG 3.48Å; S66-E68 PolarHBondContact OG-OE1 3.39Å; E68-K175 VanDerWaalsContact OE1-CD 3.27Å; E68-K175 WeakPolarHBondContact OE1-CD 3.46Å; E68-K175 WeakPolarHBondContact OE1-CE 3.28Å; E68-K175 WeakPolarHBondContact OE1-CG 3.38Å; E68-K175 IonicContact OE1-NZ 2.76Å; E68-K175 PolarHBondContact OE1-NZ 2.92Å
69G94.6Very high92Very high6 Ų666.7 Ų66.76%0.06234%0.337CS..EExtended strand (participates in β ladder)trans82.1167-174.200000114T44 A45 M170T44-G69 WeakPolarHBondContact CA-O 3.27Å; A45-G69 PolarHBondContact N-O 3.39Å; G69-M170 CarbonylContact C-O 3.47Å; G69-M170 WeakPolarHBondContact CA-O 3.42Å
70V96.8Very high93.5Very high14 Ų1462 Ų629%0.08531%0.313CS..EExtended strand (participates in β ladder)trans-135.4138-172.5-64.70000110.1V42 W43 V155 I156 I169 M170V42-V70 HydrophobicContact CG1-CB 3.65Å; V42-V70 HydrophobicContact CG1-CG1 3.6Å; V42-V70 HydrophobicContact CG1-CG2 4.44Å; W43-V70 CarbonylContact O-C 3.56Å; W43-V70 WeakPolarHBondContact O-CA 3.49Å; V70-V155 HydrophobicContact CG1-CG2 4.12Å; V70-V155 HydrophobicContact CG2-CB 4.25Å; V70-I156 WeakPolarHBondContact CG2-O 3.43Å; V70-I169 CarbonylContact O-C 3.41Å; V70-I169 VanDerWaalsContact O-CA 3.27Å; V70-I169 WeakPolarHBondContact O-CA 3.28Å; V70-M170 HydrophobicContact CG2-CB 4.09Å; V70-M170 PolarHBondContact N-O 3.44Å; V70-M170 PolarHBondContact O-N 2.86Å
71Y97.5Very high94.7Very high4 Ų456.8 Ų56.82%0.01630%0.302CS..EExtended strand (participates in β ladder)trans-64.7145.3168.6-77.5-104000109.8W43 T44 A45 L77 V167 I169 I193 E194 V195W43-Y71 HydrophobicContact CB-CD2 4.35Å; W43-Y71 PolarHBondContact O-N 2.98Å; T44-Y71 WeakPolarHBondContact O-CD2 3.28Å; A45-Y71 HydrophobicContact CB-CD2 3.97Å; A45-Y71 HydrophobicContact CB-CE2 3.61Å; Y71-L77 HydrophobicContact CD1-CD2 3.92Å; Y71-L77 HydrophobicContact CD2-CD2 4.45Å; Y71-L77 HydrophobicContact CG-CD2 3.87Å; Y71-V167 HydrophobicContact CD1-CG1 4.14Å; Y71-V167 HydrophobicContact CE1-CG1 3.58Å; Y71-I169 HydrophobicContact CD1-CG2 4.04Å; Y71-I169 HydrophobicContact CD2-CG2 4.19Å; Y71-I169 HydrophobicContact CE1-CG2 4.2Å; Y71-I169 HydrophobicContact CE2-CG2 4.31Å; Y71-I169 HydrophobicContact CG-CG2 4.04Å; Y71-I193 HydrophobicContact CE2-CG2 4.34Å; Y71-I193 WeakPolarHBondContact OH-CG2 3.3Å; Y71-E194 PolarHBondContact OH-O 2.89Å; Y71-E194 VanDerWaalsContact OH-O 3.12Å; Y71-V195 PolarHBondContact OH-N 3.14Å
72G95.9Very high95.4Very high4 Ų453.2 Ų53.24%0.04128%0.281CS..  trans-62149166.800000111D74 S75 M158 H160 A168G72-D74 PolarHBondContact O-N 3.38Å; G72-S75 VanDerWaalsContact O-CB 3.28Å; G72-S75 WeakPolarHBondContact O-CB 3.44Å; G72-S75 PolarHBondContact O-N 3.37Å; G72-S75 VanDerWaalsContact O-N 3.11Å; G72-M158 CarbonylContact C-O 3.57Å; G72-M158 WeakPolarHBondContact CA-O 3.16Å; G72-H160 WeakPolarHBondContact CA-NE2 3.31Å; G72-A168 PolarHBondContact N-O 2.96Å
73Q93.6Very high95.8Very high66 Ų6650.3 Ų50.331%0.30826%0.264SS..THydrogen-bonded Turntrans-61.4-31.5-178.2-69-179.3-21.400112.1P157 M158Q73-P157 HydrophobicContact CG-CB 4.31Å; Q73-M158 PolarHBondContact N-O 3.41Å
74D95.1Very high96.2Very high60 Ų6042.7 Ų42.732%0.32124%0.235SC..THydrogen-bonded Turntrans-102.39.7-179.4-49.5-82.3000111.7G72 S159 H160G72-D74 PolarHBondContact O-N 3.38Å; D74-S159 WeakPolarHBondContact OD2-CA 3.32Å; D74-S159 PolarHBondContact OD2-OG 3.45Å; D74-S159 VanDerWaalsContact OD2-OG 3.12Å; D74-H160 PolarHBondContact OD2-N 3.48Å
75S97Very high96.4Very high12 Ų1240.1 Ų40.18%0.08422%0.224CC..SBendtrans-80.2142.2-179179.60000111.5G72 L77 H160 A168G72-S75 VanDerWaalsContact O-CB 3.28Å; G72-S75 WeakPolarHBondContact O-CB 3.44Å; G72-S75 PolarHBondContact O-N 3.37Å; G72-S75 VanDerWaalsContact O-N 3.11Å; S75-L77 PolarHBondContact O-N 3.38Å; S75-H160 PolarHBondContact N-CE1 3.39Å; S75-H160 VanDerWaalsContact N-CE1 3.35Å; S75-A168 PolarHBondContact OG-N 2.92Å; S75-A168 PolarHBondContact OG-O 3.16Å
76P97.1Very high96.6Very high35 Ų3535.8 Ų35.823%0.22720%0.202CC..  trans-52.7134.9161.4-23.834.2000110.9E78 I166 V167P76-E78 HydrophobicContact CB-CG 4.06Å; P76-E78 PolarHBondContact O-N 3.41Å; P76-I166 WeakPolarHBondContact CD-O 3.45Å; P76-V167 HydrophobicContact CB-CG2 4.43Å
77L96.6Very high96.7Very high81 Ų8135.1 Ų35.142%0.42420%0.197SC..  trans-96.568.4177-67175.9000109.8W43 Y71 S75 V195W43-L77 HydrophobicContact CB-CD2 3.86Å; W43-L77 HydrophobicContact CD2-CD1 4.03Å; W43-L77 HydrophobicContact CD2-CD2 4.32Å; W43-L77 HydrophobicContact CG-CD1 4.07Å; W43-L77 HydrophobicContact CG-CD2 3.79Å; W43-L77 HydrophobicContact CZ2-CD1 4.18Å; Y71-L77 HydrophobicContact CD1-CD2 3.92Å; Y71-L77 HydrophobicContact CD2-CD2 4.45Å; Y71-L77 HydrophobicContact CG-CD2 3.87Å; S75-L77 PolarHBondContact O-N 3.38Å; L77-V195 VanDerWaalsContact C-CG2 3.48Å; L77-V195 HydrophobicContact CB-CG2 4.32Å; L77-V195 WeakPolarHBondContact O-CG2 3.37Å
78E97.3Very high96.8Very high106 Ų10634.6 Ų34.650%0.49520%0.197SC..SBendtrans-138.2155.9-179.964.9-178.2-172.300110.7P76 V167P76-E78 HydrophobicContact CB-CG 4.06Å; P76-E78 PolarHBondContact O-N 3.41Å; E78-V167 HydrophobicContact CG-CG2 3.78Å; E78-V167 WeakPolarHBondContact O-CG2 3.46Å
79P97.9Very high96.7Very high93 Ų9334.8 Ų34.860%0.60421%0.211SC*.  trans-73.5142.7179.530.3-34.7000111.5I193 E194P79-I193 CarbonylContact C-O 3.52Å; P79-I193 WeakPolarHBondContact CA-O 3.4Å; P79-E194 HydrophobicContact CB-CG 4.36Å
80V98.4Very high96.2Very high20 Ų2041.2 Ų41.212%0.12125%0.252CS..EExtended strand (participates in β ladder)trans-137.9149.6173.771.40000110.5L117 V167 I193V80-L117 HydrophobicContact CG1-CD2 3.95Å; V80-L117 HydrophobicContact CG2-CD2 3.94Å; V80-V167 HydrophobicContact CB-CB 4.23Å; V80-V167 HydrophobicContact CB-CG2 4.12Å; V80-V167 HydrophobicContact CG1-CB 3.71Å; V80-V167 HydrophobicContact CG1-CG1 3.75Å; V80-V167 HydrophobicContact CG1-CG2 4.09Å; V80-I193 HydrophobicContact CG1-CB 3.97Å; V80-I193 HydrophobicContact CG1-CD1 3.77Å; V80-I193 HydrophobicContact CG1-CG1 4.19Å; V80-I193 PolarHBondContact N-O 3.38Å; V80-I193 PolarHBondContact O-N 3.2Å
81S98Very high95.7Very high59 Ų5944 Ų4441%0.41328%0.284SS..EExtended strand (participates in β ladder)trans-142147.9174.166.80000112.3S115 M191S81-S115 PolarHBondContact O-OG 3.41Å; S81-M191 VanDerWaalsContact CA-O 3.27Å; S81-M191 WeakPolarHBondContact CA-O 3.48Å
82G97.4Very high95.5Very high5 Ų545 Ų455%0.05229%0.292CS..EExtended strand (participates in β ladder)trans-179.6171.8178.100000113.9S115 T190 M191G82-S115 CarbonylContact C-O 3.57Å; G82-S115 WeakPolarHBondContact CA-O 3.39Å; G82-T190 WeakPolarHBondContact O-CA 3.46Å; G82-T190 WeakPolarHBondContact O-CG2 3.3Å; G82-M191 PolarHBondContact N-O 2.85Å; G82-M191 PolarHBondContact O-N 3.16Å
83V97.9Very high95.6Very high15 Ų1546.7 Ų46.79%0.09130%0.3CS..EExtended strand (participates in β ladder)trans-71.4133171.8-176.50000109.1P105 V114 S115 W116 L117 Q188V83-P105 HydrophobicContact CG1-CG 4.3Å; V83-V114 HydrophobicContact CB-CG2 4.48Å; V83-V114 HydrophobicContact CG2-CG2 4.01Å; V83-S115 PolarHBondContact N-O 2.81Å; V83-W116 CarbonylContact O-C 3.6Å; V83-W116 VanDerWaalsContact O-CA 3.26Å; V83-W116 WeakPolarHBondContact O-CA 3.49Å; V83-W116 WeakPolarHBondContact O-CB 3.41Å; V83-L117 PolarHBondContact O-N 3.28Å; V83-Q188 HydrophobicContact CG1-CG 3.94Å
84L98.4Very high95.7Very high4 Ų445.3 Ų45.32%0.02130%0.295CS..EExtended strand (participates in β ladder)trans-78.8127.1177-75162.3000110.6L117 L119 V144 I179 I183 V189 M191L84-L117 WeakPolarHBondContact CA-O 3.31Å; L84-L117 HydrophobicContact CD2-CB 3.81Å; L84-L117 HydrophobicContact CD2-CD1 4.42Å; L84-L119 HydrophobicContact CD2-CB 4.33Å; L84-V144 HydrophobicContact CD2-CB 4.23Å; L84-V144 HydrophobicContact CD2-CG2 3.92Å; L84-I179 HydrophobicContact CD1-CD1 4.28Å; L84-I179 HydrophobicContact CD1-CG2 3.69Å; L84-I183 HydrophobicContact CB-CD1 3.86Å; L84-I183 WeakPolarHBondContact O-CD1 3.42Å; L84-V189 HydrophobicContact CD1-CB 4.4Å; L84-V189 HydrophobicContact CD1-CG1 3.92Å; L84-V189 PolarHBondContact N-O 3.42Å; L84-M191 HydrophobicContact CD1-CB 3.78Å; L84-M191 HydrophobicContact CD1-CE 3.95Å; L84-M191 HydrophobicContact CD1-SD 4.45Å; L84-M191 HydrophobicContact CD2-CB 4.48Å; L84-M191 HydrophobicContact CD2-SD 4.41Å; L84-M191 HydrophobicContact CG-CB 4.09Å
85V98.4Very high95.8Very high8 Ų842.6 Ų42.65%0.04828%0.281CS..EExtended strand (participates in β ladder)trans-129.9115.9-177.8-172.10000109.6F102 T103 W116 L117 A118 L119V85-F102 HydrophobicContact CG1-CB 3.98Å; V85-F102 HydrophobicContact CG1-CD1 4.36Å; V85-T103 WeakPolarHBondContact CG1-O 3.44Å; V85-W116 HydrophobicContact CB-CE3 3.74Å; V85-W116 HydrophobicContact CB-CZ3 4.09Å; V85-W116 HydrophobicContact CG2-CB 4.19Å; V85-W116 HydrophobicContact CG2-CD2 4.48Å; V85-W116 HydrophobicContact CG2-CE3 3.92Å; V85-L117 PolarHBondContact N-O 3.46Å; V85-A118 WeakPolarHBondContact O-CA 3.48Å; V85-L119 PolarHBondContact O-N 2.78Å
86P98.3Very high95.8Very high17 Ų1744.3 Ų44.311%0.1129%0.293CS..PPolyproline II helixtrans-81.9162.517434.3-34.7000111.7L119 L180 I183P86-L119 WeakPolarHBondContact CA-O 3.46Å; P86-L180 HydrophobicContact CB-CD1 3.58Å; P86-L180 HydrophobicContact CG-CD1 3.86Å; P86-I183 HydrophobicContact CG-CG2 4.04Å
87P98.1Very high95.8Very high8 Ų847 Ų475%0.05231%0.305CS..PPolyproline II helixtrans-53.4142.3169.2-31.238.3000113.9A92 A95 T100 F102 L119 I120P87-A92 HydrophobicContact CB-CB 4.06Å; P87-A92 WeakPolarHBondContact CB-O 3.27Å; P87-A92 WeakPolarHBondContact CG-O 3.29Å; P87-A95 HydrophobicContact CG-CB 3.97Å; P87-T100 HydrophobicContact CB-CG2 3.62Å; P87-T100 HydrophobicContact CG-CG2 4.23Å; P87-F102 HydrophobicContact CB-CE1 4.38Å; P87-F102 HydrophobicContact CG-CE1 3.76Å; P87-F102 HydrophobicContact CG-CZ 4.11Å; P87-L119 WeakPolarHBondContact CD-O 3.31Å; P87-I120 HydrophobicContact CG-CG1 4.41Å
88D95.7Very high95.7Very high63 Ų6347.3 Ų47.334%0.33731%0.312SS..SBendtrans-75.4140.5175.3-61.2-39.1000111.9A92 N101 F102 T103D88-A92 WeakPolarHBondContact O-CB 3.39Å; D88-N101 PolarHBondContact N-O 3.3Å; D88-N101 VanDerWaalsContact OD2-C 3.25Å; D88-F102 WeakPolarHBondContact OD2-CA 3.41Å; D88-F102 PolarHBondContact OD2-N 2.84Å; D88-T103 VanDerWaalsContact CG-OG1 3.24Å; D88-T103 WeakPolarHBondContact OD1-CB 3.37Å; D88-T103 PolarHBondContact OD1-N 3.38Å; D88-T103 VanDerWaalsContact OD1-N 3.15Å; D88-T103 PolarHBondContact OD1-OG1 3.4Å; D88-T103 PolarHBondContact OD2-N 3.43Å; D88-T103 PolarHBondContact OD2-OG1 3.07Å
89G90.1Very high95.6Very high50 Ų5049.2 Ų49.252%0.51532%0.32SS..SBendtrans94.4154.4169.200000115.7G91 A92G89-G91 PolarHBondContact O-N 2.55Å; G89-A92 PolarHBondContact O-N 3.47Å
90P85.4Confident95.5Very high141 Ų14145.3 Ų45.392%0.91630%0.295SS*.THydrogen-bonded Turntrans-65.7132.5179.528.2-33.7000110.6A92P90-A92 VanDerWaalsContact C-N 3.27Å; P90-A92 PolarHBondContact O-N 3.28Å
91G85.4Confident95.4Very high74 Ų7449 Ų4976%0.76331%0.314SS*.THydrogen-bonded Turntrans80.2-3.6178.400000115.6G89 L93G89-G91 PolarHBondContact O-N 2.55Å; G91-L93 VanDerWaalsContact C-N 3.33Å; G91-L93 PolarHBondContact O-N 3.43Å
92A93.9Very high95.4Very high23 Ų2347.2 Ų47.219%0.1930%0.299CS..G310 helixtrans-84.90.3-179.600000114.3P87 D88 G89 P90 N94 A95P87-A92 HydrophobicContact CB-CB 4.06Å; P87-A92 WeakPolarHBondContact CB-O 3.27Å; P87-A92 WeakPolarHBondContact CG-O 3.29Å; D88-A92 WeakPolarHBondContact O-CB 3.39Å; G89-A92 PolarHBondContact O-N 3.47Å; P90-A92 VanDerWaalsContact C-N 3.27Å; P90-A92 PolarHBondContact O-N 3.28Å; A92-N94 PolarHBondContact O-N 2.94Å; A92-A95 PolarHBondContact O-N 3.26Å
93L96.7Very high95.3Very high41 Ų4152 Ų5222%0.21533%0.327CS..G310 helixtrans-54.9-27.1-174.4-66.5176.7000114G91 A95 Q121 L180G91-L93 VanDerWaalsContact C-N 3.33Å; G91-L93 PolarHBondContact O-N 3.43Å; L93-A95 VanDerWaalsContact C-N 3.33Å; L93-Q121 HydrophobicContact CB-CB 4.06Å; L93-Q121 WeakPolarHBondContact O-CB 3.24Å; L93-Q121 PolarHBondContact O-N 3.32Å; L93-L180 HydrophobicContact CD1-CD2 3.77Å; L93-L180 HydrophobicContact CD2-CD1 3.89Å; L93-L180 HydrophobicContact CD2-CD2 3.72Å; L93-L180 HydrophobicContact CD2-CG 4.46Å; L93-L180 HydrophobicContact CG-CD2 4.4Å
94N97.3Very high95.2Very high36 Ų3652.3 Ų52.319%0.19333%0.329CS..G310 helixtrans-79.9-13.1178-63.6-51.2000113.5A92 C96 Q121 R122 K131A92-N94 PolarHBondContact O-N 2.94Å; N94-C96 PolarHBondContact O-N 2.93Å; N94-C96 VanDerWaalsContact O-N 3.1Å; N94-Q121 PolarHBondContact OD1-O 3.43Å; N94-R122 PolarHBondContact OD1-O 2.89Å; N94-K131 PolarHBondContact O-NZ 3.05Å
95A97.3Very high94.9Very high3 Ų354.6 Ų54.63%0.02534%0.344CS..  trans51.332.8-179.300000114.5P87 A92 L93 N97 T100 I120 L134P87-A95 HydrophobicContact CG-CB 3.97Å; A92-A95 PolarHBondContact O-N 3.26Å; L93-A95 VanDerWaalsContact C-N 3.33Å; A95-N97 VanDerWaalsContact C-N 3.35Å; A95-T100 HydrophobicContact CB-CG2 4.27Å; A95-I120 HydrophobicContact CB-CD1 4.01Å; A95-I120 HydrophobicContact CB-CG1 4.13Å; A95-I120 HydrophobicContact CB-CG2 3.69Å; A95-L134 HydrophobicContact CB-CD2 3.81Å; A95-L134 WeakPolarHBondContact O-CD2 3.39Å
96C96.6Very high94.5Very high49 Ų4957.9 Ų57.933%0.33136%0.364SS..  trans-80.3-16.7-179.9-63.20000113.5N94 G124 C126N94-C96 PolarHBondContact O-N 2.93Å; N94-C96 VanDerWaalsContact O-N 3.1Å; C96-G124 VanDerWaalsContact SG-C 3.54Å; C96-G124 PolarHBondContact SG-O 3.26Å; C96-C126 WeakPolarHBondContact CA-SG 3.41Å; C96-C126 HydrophobicContact CB-CB 3.62Å; C96-C126 WeakPolarHBondContact CB-SG 3.35Å; C96-C126 WeakPolarHBondContact SG-CB 3.49Å; C96-C126 PolarHBondContact SG-N 2.75Å; C96-C126 VanDerWaalsContact SG-N 3.44Å; C96-C126 CovalentContact SG-SG 2.05Å; C96-C126 PolarHBondContact SG-SG 2.99Å
97N96Very high94.1Very high92 Ų9260.6 Ų60.649%0.49238%0.38SS..SBendtrans-81.1124.4173.4-176.1-22.9000108.8A95 H99 T100A95-N97 VanDerWaalsContact C-N 3.35Å; N97-H99 PolarHBondContact O-N 3.31Å; N97-H99 VanDerWaalsContact O-N 3.07Å; N97-H99 WeakPolarHBondContact OD1-CB 3.34Å; N97-H99 PolarHBondContact OD1-N 2.93Å; N97-T100 VanDerWaalsContact O-CB 3.28Å; N97-T100 WeakPolarHBondContact O-CB 3.12Å; N97-T100 PolarHBondContact O-N 3.06Å; N97-T100 PolarHBondContact O-OG1 3.2Å
98P94.7Very high93.2Very high87 Ų8772.4 Ų72.457%0.56542%0.424SS*.THydrogen-bonded Turntrans-63.5-15179.727-36.2000113.6L134 R138P98-L134 WeakPolarHBondContact O-CD1 3.38Å; P98-R138 PolarHBondContact O-NH2 3.41Å
99H95.3Very high92.5Very high145 Ų14573.4 Ų73.467%0.67145%0.449SS*.THydrogen-bonded Turntrans-96.512.9174.6-55.8-63000113.5N97 N101N97-H99 PolarHBondContact O-N 3.31Å; N97-H99 VanDerWaalsContact O-N 3.07Å; N97-H99 WeakPolarHBondContact OD1-CB 3.34Å; N97-H99 PolarHBondContact OD1-N 2.93Å; H99-N101 PolarHBondContact O-N 3.26Å
100T97.1Very high92.4Very high11 Ų1173.2 Ų73.27%0.06744%0.44CS..  trans-59.9137.4173.2-57.10000109.8P87 A95 N97 F102 R138P87-T100 HydrophobicContact CB-CG2 3.62Å; P87-T100 HydrophobicContact CG-CG2 4.23Å; A95-T100 HydrophobicContact CB-CG2 4.27Å; N97-T100 VanDerWaalsContact O-CB 3.28Å; N97-T100 WeakPolarHBondContact O-CB 3.12Å; N97-T100 PolarHBondContact O-N 3.06Å; N97-T100 PolarHBondContact O-OG1 3.2Å; T100-F102 HydrophobicContact CG2-CE2 4.41Å; T100-R138 PolarHBondContact O-NE 3.24Å; T100-R138 PolarHBondContact O-NH2 2.97Å
101N96.4Very high92.3Very high98 Ų9873 Ų7352%0.52444%0.436SS..  trans-112.5160.9-179.7-69.3-33000111D88 H99D88-N101 PolarHBondContact N-O 3.3Å; D88-N101 VanDerWaalsContact OD2-C 3.25Å; H99-N101 PolarHBondContact O-N 3.26Å
102F97.4Very high92.3Very high22 Ų2273.9 Ų73.910%0.09643%0.426CS..  trans-133.2127.1178.5-62.2-95.4000108.9V85 P87 D88 T100 V104 W116 A118 I120 R138V85-F102 HydrophobicContact CG1-CB 3.98Å; V85-F102 HydrophobicContact CG1-CD1 4.36Å; P87-F102 HydrophobicContact CB-CE1 4.38Å; P87-F102 HydrophobicContact CG-CE1 3.76Å; P87-F102 HydrophobicContact CG-CZ 4.11Å; D88-F102 WeakPolarHBondContact OD2-CA 3.41Å; D88-F102 PolarHBondContact OD2-N 2.84Å; T100-F102 HydrophobicContact CG2-CE2 4.41Å; F102-V104 HydrophobicContact CB-CG2 4.01Å; F102-V104 PolarHBondContact O-N 3.22Å; F102-W116 HydrophobicContact CB-CH2 3.83Å; F102-W116 HydrophobicContact CB-CZ3 3.99Å; F102-W116 HydrophobicContact CD1-CH2 4.09Å; F102-W116 AromaticContact CD1-CZ3 3.8Å; F102-W116 HydrophobicContact CD1-CZ3 3.8Å; F102-W116 AromaticContact CD2-CH2 3.91Å; F102-W116 HydrophobicContact CD2-CH2 3.91Å; F102-W116 HydrophobicContact CD2-CZ3 4.46Å; F102-W116 HydrophobicContact CE1-CZ3 4.39Å; F102-W116 AromaticContact CG-CH2 3.68Å; F102-W116 HydrophobicContact CG-CH2 3.68Å; F102-W116 AromaticContact CG-CZ3 3.84Å; F102-W116 HydrophobicContact CG-CZ3 3.84Å; F102-A118 HydrophobicContact CE1-CB 4.04Å; F102-A118 HydrophobicContact CZ-CB 4.34Å; F102-I120 HydrophobicContact CE1-CG1 4.41Å; F102-I120 HydrophobicContact CZ-CD1 4.24Å; F102-I120 HydrophobicContact CZ-CG1 4.41Å; F102-R138 HydrophobicContact CD2-CB 4.16Å; F102-R138 HydrophobicContact CD2-CG 3.97Å; F102-R138 HydrophobicContact CE2-CB 4.47Å; F102-R138 HydrophobicContact CE2-CG 4.09Å
103T95.4Very high92.1Very high105 Ų10577.1 Ų77.164%0.64444%0.438SS*.  trans-80.284.3174.2-56.10000110.5V85 D88V85-T103 WeakPolarHBondContact CG1-O 3.44Å; D88-T103 VanDerWaalsContact CG-OG1 3.24Å; D88-T103 WeakPolarHBondContact OD1-CB 3.37Å; D88-T103 PolarHBondContact OD1-N 3.38Å; D88-T103 VanDerWaalsContact OD1-N 3.15Å; D88-T103 PolarHBondContact OD1-OG1 3.4Å; D88-T103 PolarHBondContact OD2-N 3.43Å; D88-T103 PolarHBondContact OD2-OG1 3.07Å
104V94.9Very high92Very high22 Ų2277.1 Ų77.113%0.13344%0.439CS..  trans-84.4130.9-176.2-174.10000111.5F102 Q113 W116F102-V104 HydrophobicContact CB-CG2 4.01Å; F102-V104 PolarHBondContact O-N 3.22Å; V104-Q113 HydrophobicContact CB-CG 4.22Å; V104-Q113 HydrophobicContact CG1-CB 3.89Å; V104-Q113 HydrophobicContact CG1-CG 3.91Å; V104-W116 HydrophobicContact CG1-CB 4.03Å; V104-W116 VanDerWaalsContact CG1-CD1 3.47Å; V104-W116 HydrophobicContact CG1-CD2 3.99Å; V104-W116 HydrophobicContact CG1-CG 3.56Å; V104-W116 HydrophobicContact CG2-CD2 3.69Å; V104-W116 VanDerWaalsContact CG2-CE2 3.5Å; V104-W116 HydrophobicContact CG2-CE3 4.05Å; V104-W116 HydrophobicContact CG2-CG 4.19Å; V104-W116 HydrophobicContact CG2-CH2 4.06Å; V104-W116 HydrophobicContact CG2-CZ2 3.7Å; V104-W116 HydrophobicContact CG2-CZ3 4.22Å
105P91.6Very high91.9Very high51 Ų5178.3 Ų78.333%0.33145%0.45SS..  trans-63.7146.4173.6-20.332.1000113V83 V114V83-P105 HydrophobicContact CG1-CG 4.3Å; P105-V114 HydrophobicContact CB-CG2 4.02Å; P105-V114 HydrophobicContact CG-CG2 4.44Å; P105-V114 WeakPolarHBondContact O-CG2 3.42Å; P105-V114 PolarHBondContact O-N 3.36Å
106T91.5Very high92Very high77 Ų7778.2 Ų78.247%0.47245%0.449SS..BIsolated β-bridgetrans-108.5157.3176.859.80000112.5S110 V112T106-S110 WeakPolarHBondContact CB-O 3.42Å; T106-S110 PolarHBondContact OG1-O 2.93Å; T106-V112 CarbonylContact C-O 3.46Å; T106-V112 VanDerWaalsContact CA-O 3.29Å; T106-V112 WeakPolarHBondContact CA-O 3.38Å; T106-V112 WeakPolarHBondContact CB-O 3.24Å
107V88.3Confident92.1Very high75 Ų7575.9 Ų75.946%0.45543%0.434SS..  trans-66.3135.3172178.80000109G109 S110 V112 V114V107-G109 PolarHBondContact O-N 2.86Å; V107-S110 WeakPolarHBondContact CB-OG 3.43Å; V107-S110 PolarHBondContact O-N 3.24Å; V107-S110 PolarHBondContact O-OG 3.46Å; V107-V112 PolarHBondContact N-O 3Å; V107-V114 HydrophobicContact CG2-CG1 3.96Å
108W80.7Confident92.2Very high256 Ų25671.5 Ų71.597%0.9741%0.41SS*.THydrogen-bonded Turntrans-52.1124.6-174-172.666.5000112.2S110W108-S110 VanDerWaalsContact C-N 3.34Å
109G81.2Confident92.4Very high83 Ų8367.4 Ų67.486%0.85638%0.383SS*.THydrogen-bonded Turntrans78.110.4-179.500000115.4V107V107-G109 PolarHBondContact O-N 2.86Å
110S87.1Confident92.6Very high47 Ų4760.5 Ų60.533%0.32935%0.351SS..SBendtrans-136.1165.8178.579.60000112.8T106 V107 W108 V112T106-S110 WeakPolarHBondContact CB-O 3.42Å; T106-S110 PolarHBondContact OG1-O 2.93Å; V107-S110 WeakPolarHBondContact CB-OG 3.43Å; V107-S110 PolarHBondContact O-N 3.24Å; V107-S110 PolarHBondContact O-OG 3.46Å; W108-S110 VanDerWaalsContact C-N 3.34Å; S110-V112 VanDerWaalsContact C-N 3.32Å; S110-V112 PolarHBondContact OG-N 2.87Å
111T83.2Confident92.6Very high135 Ų13561.5 Ų61.583%0.82836%0.355SS*.SBendtrans-89.32.4170.355.80000112.8
112V86.6Confident92.7Very high93 Ų9359.7 Ų59.756%0.56434%0.341SS*.PPolyproline II helixtrans-76.9126-177.8-176.90000108.9T106 V107 S110T106-V112 CarbonylContact C-O 3.46Å; T106-V112 VanDerWaalsContact CA-O 3.29Å; T106-V112 WeakPolarHBondContact CA-O 3.38Å; T106-V112 WeakPolarHBondContact CB-O 3.24Å; V107-V112 PolarHBondContact N-O 3Å; S110-V112 VanDerWaalsContact C-N 3.32Å; S110-V112 PolarHBondContact OG-N 2.87Å
113Q89.3Confident92.6Very high92 Ų9260 Ų6043%0.4335%0.35SS..BIsolated β-bridgetrans-68.3143.7176.9-68.7177.8-7.900110.7V104V104-Q113 HydrophobicContact CB-CG 4.22Å; V104-Q113 HydrophobicContact CG1-CB 3.89Å; V104-Q113 HydrophobicContact CG1-CG 3.91Å
114V93.6Very high92.5Very high40 Ų4057.6 Ų57.624%0.24235%0.346CS..PPolyproline II helixtrans-71.5159.6169-57.40000110.1V83 P105 V107 W116V83-V114 HydrophobicContact CB-CG2 4.48Å; V83-V114 HydrophobicContact CG2-CG2 4.01Å; P105-V114 HydrophobicContact CB-CG2 4.02Å; P105-V114 HydrophobicContact CG-CG2 4.44Å; P105-V114 WeakPolarHBondContact O-CG2 3.42Å; P105-V114 PolarHBondContact O-N 3.36Å; V107-V114 HydrophobicContact CG2-CG1 3.96Å; V114-W116 VanDerWaalsContact O-CD1 3.28Å; V114-W116 PolarHBondContact O-N 2.92Å
115S96.4Very high92.5Very high61 Ų6160.7 Ų60.743%0.42738%0.383SS..PPolyproline II helixtrans-56.1125.2168.4-171.10000110S81 G82 V83 S141S81-S115 PolarHBondContact O-OG 3.41Å; G82-S115 CarbonylContact C-O 3.57Å; G82-S115 WeakPolarHBondContact CA-O 3.39Å; V83-S115 PolarHBondContact N-O 2.81Å; S115-S141 PolarHBondContact OG-OG 3.41Å
116W98.3Very high92.8Very high2 Ų259.5 Ų59.51%0.00838%0.376CS..EExtended strand (participates in β ladder)trans-142.9154.6-171.872.9-79.5000112V83 V85 F102 V104 V114 A118 R138 G139 A140 S141V83-W116 CarbonylContact O-C 3.6Å; V83-W116 VanDerWaalsContact O-CA 3.26Å; V83-W116 WeakPolarHBondContact O-CA 3.49Å; V83-W116 WeakPolarHBondContact O-CB 3.41Å; V85-W116 HydrophobicContact CB-CE3 3.74Å; V85-W116 HydrophobicContact CB-CZ3 4.09Å; V85-W116 HydrophobicContact CG2-CB 4.19Å; V85-W116 HydrophobicContact CG2-CD2 4.48Å; V85-W116 HydrophobicContact CG2-CE3 3.92Å; F102-W116 HydrophobicContact CB-CH2 3.83Å; F102-W116 HydrophobicContact CB-CZ3 3.99Å; F102-W116 HydrophobicContact CD1-CH2 4.09Å; F102-W116 AromaticContact CD1-CZ3 3.8Å; F102-W116 HydrophobicContact CD1-CZ3 3.8Å; F102-W116 AromaticContact CD2-CH2 3.91Å; F102-W116 HydrophobicContact CD2-CH2 3.91Å; F102-W116 HydrophobicContact CD2-CZ3 4.46Å; F102-W116 HydrophobicContact CE1-CZ3 4.39Å; F102-W116 AromaticContact CG-CH2 3.68Å; F102-W116 HydrophobicContact CG-CH2 3.68Å; F102-W116 AromaticContact CG-CZ3 3.84Å; F102-W116 HydrophobicContact CG-CZ3 3.84Å; V104-W116 HydrophobicContact CG1-CB 4.03Å; V104-W116 VanDerWaalsContact CG1-CD1 3.47Å; V104-W116 HydrophobicContact CG1-CD2 3.99Å; V104-W116 HydrophobicContact CG1-CG 3.56Å; V104-W116 HydrophobicContact CG2-CD2 3.69Å; V104-W116 VanDerWaalsContact CG2-CE2 3.5Å; V104-W116 HydrophobicContact CG2-CE3 4.05Å; V104-W116 HydrophobicContact CG2-CG 4.19Å; V104-W116 HydrophobicContact CG2-CH2 4.06Å; V104-W116 HydrophobicContact CG2-CZ2 3.7Å; V104-W116 HydrophobicContact CG2-CZ3 4.22Å; V114-W116 VanDerWaalsContact O-CD1 3.28Å; V114-W116 PolarHBondContact O-N 2.92Å; W116-A118 HydrophobicContact CH2-CB 4.37Å; W116-A118 HydrophobicContact CZ3-CB 3.77Å; W116-R138 HydrophobicContact CH2-CB 4.07Å; W116-R138 HydrophobicContact CZ2-CB 3.99Å; W116-R138 WeakPolarHBondContact CZ2-O 3.31Å; W116-G139 PolarHBondContact NE1-O 2.92Å; W116-G139 VanDerWaalsContact NE1-O 3.08Å; W116-A140 HydrophobicContact CD2-CB 4.04Å; W116-A140 VanDerWaalsContact CE2-CA 3.47Å; W116-A140 HydrophobicContact CE3-CB 4.08Å; W116-A140 HydrophobicContact CH2-CB 3.75Å; W116-A140 HydrophobicContact CZ2-CB 3.67Å; W116-A140 HydrophobicContact CZ3-CB 3.96Å; W116-S141 PolarHBondContact O-N 3.29Å
117L98.8Very high93.1Very high0 Ų059.6 Ų59.60%038%0.376CS..EExtended strand (participates in β ladder)trans-121.9126.5-177.4-60.3176.7000109V80 V83 L84 V85 L119 G142 V144 M191 I193V80-L117 HydrophobicContact CG1-CD2 3.95Å; V80-L117 HydrophobicContact CG2-CD2 3.94Å; V83-L117 PolarHBondContact O-N 3.28Å; L84-L117 WeakPolarHBondContact CA-O 3.31Å; L84-L117 HydrophobicContact CD2-CB 3.81Å; L84-L117 HydrophobicContact CD2-CD1 4.42Å; V85-L117 PolarHBondContact N-O 3.46Å; L117-L119 PolarHBondContact O-N 3.48Å; L117-G142 CarbonylContact C-O 3.56Å; L117-G142 WeakPolarHBondContact CA-O 3.28Å; L117-V144 HydrophobicContact CB-CG2 4.3Å; L117-V144 HydrophobicContact CD1-CG2 4.43Å; L117-M191 HydrophobicContact CD1-CB 4.04Å; L117-M191 HydrophobicContact CD1-CG 4.36Å; L117-I193 HydrophobicContact CD1-CD1 3.97Å; L117-I193 HydrophobicContact CD1-CG1 4.38Å
118A98.7Very high93.5Very high0 Ų057.6 Ų57.60%036%0.361CS..EExtended strand (participates in β ladder)trans-75.2123.8178.600000110.3V85 F102 W116 I120 A135 A140 G142 V144V85-A118 WeakPolarHBondContact O-CA 3.48Å; F102-A118 HydrophobicContact CE1-CB 4.04Å; F102-A118 HydrophobicContact CZ-CB 4.34Å; W116-A118 HydrophobicContact CH2-CB 4.37Å; W116-A118 HydrophobicContact CZ3-CB 3.77Å; A118-I120 HydrophobicContact CB-CD1 4.03Å; A118-I120 HydrophobicContact CB-CG1 4.22Å; A118-A135 HydrophobicContact CB-CB 3.54Å; A118-A140 HydrophobicContact CB-CB 4.23Å; A118-G142 PolarHBondContact N-O 3.41Å; A118-V144 PolarHBondContact O-N 3.38Å
119L98.7Very high94.3Very high0 Ų046.4 Ų46.40%032%0.324CS..EExtended strand (participates in β ladder)trans-99.6102176.9-179.667.3000110.3L84 V85 P86 P87 L117 V144 F146 I179 L180 I183L84-L119 HydrophobicContact CD2-CB 4.33Å; V85-L119 PolarHBondContact O-N 2.78Å; P86-L119 WeakPolarHBondContact CA-O 3.46Å; P87-L119 WeakPolarHBondContact CD-O 3.31Å; L117-L119 PolarHBondContact O-N 3.48Å; L119-V144 HydrophobicContact CD1-CB 4.31Å; L119-V144 HydrophobicContact CD1-CG1 4.03Å; L119-F146 HydrophobicContact CD1-CD1 3.73Å; L119-F146 HydrophobicContact CD1-CE1 4.27Å; L119-F146 HydrophobicContact CG-CD1 4.04Å; L119-F146 HydrophobicContact CG-CE1 4.07Å; L119-I179 HydrophobicContact CD2-CB 4.39Å; L119-I179 HydrophobicContact CD2-CG2 3.59Å; L119-L180 HydrophobicContact CD2-CB 4.17Å; L119-L180 HydrophobicContact CD2-CD1 4.45Å; L119-I183 HydrophobicContact CD2-CD1 3.95Å
120I98.7Very high95.1Very high0 Ų046.3 Ų46.30%030%0.303CS..EExtended strand (participates in β ladder)trans-121.2137.3-170-57.5170.3000110.7P87 A95 F102 A118 K131 A135 V144 I145 F146P87-I120 HydrophobicContact CG-CG1 4.41Å; A95-I120 HydrophobicContact CB-CD1 4.01Å; A95-I120 HydrophobicContact CB-CG1 4.13Å; A95-I120 HydrophobicContact CB-CG2 3.69Å; F102-I120 HydrophobicContact CE1-CG1 4.41Å; F102-I120 HydrophobicContact CZ-CD1 4.24Å; F102-I120 HydrophobicContact CZ-CG1 4.41Å; A118-I120 HydrophobicContact CB-CD1 4.03Å; A118-I120 HydrophobicContact CB-CG1 4.22Å; I120-K131 HydrophobicContact CD1-CB 4.18Å; I120-K131 WeakPolarHBondContact CD1-O 3.37Å; I120-K131 HydrophobicContact CG2-CB 4.1Å; I120-K131 HydrophobicContact CG2-CD 3.94Å; I120-K131 HydrophobicContact CG2-CG 3.93Å; I120-A135 HydrophobicContact CD1-CB 4.34Å; I120-V144 PolarHBondContact N-O 3.08Å; I120-I145 HydrophobicContact CB-CD1 3.85Å; I120-I145 HydrophobicContact CD1-CD1 4.48Å; I120-I145 HydrophobicContact CG2-CD1 4.36Å; I120-I145 CarbonylContact O-C 3.53Å; I120-I145 VanDerWaalsContact O-CA 3.26Å; I120-I145 WeakPolarHBondContact O-CA 3.49Å; I120-F146 VanDerWaalsContact O-CD1 3.25Å; I120-F146 WeakPolarHBondContact O-CD1 3.45Å; I120-F146 PolarHBondContact O-N 3.12Å
121Q98.4Very high95.6Very high33 Ų3344.1 Ų44.115%0.15429%0.288CS..EExtended strand (participates in β ladder)trans-79.7139.4175.5-163.8176.1-6900111.4L93 N94 K131 F146L93-Q121 HydrophobicContact CB-CB 4.06Å; L93-Q121 WeakPolarHBondContact O-CB 3.24Å; L93-Q121 PolarHBondContact O-N 3.32Å; N94-Q121 PolarHBondContact OD1-O 3.43Å; Q121-K131 PolarHBondContact O-NZ 2.99Å; Q121-F146 HydrophobicContact CB-CD1 4.46Å; Q121-F146 HydrophobicContact CB-CE1 3.76Å; Q121-F146 HydrophobicContact CB-CE2 3.89Å; Q121-F146 HydrophobicContact CB-CZ 3.43Å; Q121-F146 VanDerWaalsContact CB-CZ 3.43Å; Q121-F146 HydrophobicContact CG-CD2 4.16Å; Q121-F146 HydrophobicContact CG-CE1 4.35Å; Q121-F146 HydrophobicContact CG-CE2 3.56Å; Q121-F146 HydrophobicContact CG-CZ 3.66Å
122R98.1Very high96.4Very high60 Ų6037.7 Ų37.723%0.22625%0.248CC..SBendtrans-67.3146169-176.3-178173-160.10.4111.2N94 F128 I145 F146 N147 F148 I156N94-R122 PolarHBondContact OD1-O 2.89Å; R122-F128 HydrophobicContact CB-CE1 4.5Å; R122-F128 HydrophobicContact CG-CE1 3.8Å; R122-F128 HydrophobicContact CG-CZ 4.18Å; R122-I145 HydrophobicContact CB-CG2 4.1Å; R122-F146 WeakPolarHBondContact CB-O 3.38Å; R122-F146 PolarHBondContact N-O 3.24Å; R122-N147 VanDerWaalsContact CD-OD1 3.3Å; R122-N147 WeakPolarHBondContact CD-OD1 3.42Å; R122-N147 PolarHBondContact NH1-OD1 3.22Å; R122-F148 HydrophobicContact CB-CD1 4.49Å; R122-F148 HydrophobicContact CG-CD1 4.13Å; R122-I156 VanDerWaalsContact NH1-CD1 3.33Å
123G95.2Very high96.9Very high28 Ų2837 Ų3729%0.28924%0.239SC..  trans103.3-157176.800000112G125 K131G123-G125 VanDerWaalsContact C-N 3.34Å; G123-G125 PolarHBondContact O-N 3.26Å; G123-K131 PolarHBondContact O-NZ 3.38Å
124G93.3Very high97.3Very high54 Ų5433.3 Ų33.356%0.55722%0.222SC*.THydrogen-bonded Turntrans79.39179.300000115.7C96C96-G124 VanDerWaalsContact SG-C 3.54Å; C96-G124 PolarHBondContact SG-O 3.26Å
125G95.6Very high97.6Very high88 Ų8831.4 Ų31.491%0.90721%0.21SC*.THydrogen-bonded Turntrans88.58174.500000116G123G123-G125 VanDerWaalsContact C-N 3.34Å; G123-G125 PolarHBondContact O-N 3.26Å
126C96.4Very high97.6Very high26 Ų2633.4 Ų33.418%0.17621%0.209CC..  trans-121.2160.2173.363.60000112.1C96 D130 K131C96-C126 WeakPolarHBondContact CA-SG 3.41Å; C96-C126 HydrophobicContact CB-CB 3.62Å; C96-C126 WeakPolarHBondContact CB-SG 3.35Å; C96-C126 WeakPolarHBondContact SG-CB 3.49Å; C96-C126 PolarHBondContact SG-N 2.75Å; C96-C126 VanDerWaalsContact SG-N 3.44Å; C96-C126 CovalentContact SG-SG 2.05Å; C96-C126 PolarHBondContact SG-SG 2.99Å; C126-D130 HydrophobicContact CB-CB 4.06Å; C126-K131 PolarHBondContact SG-NZ 3.47Å; C126-K131 VanDerWaalsContact SG-NZ 3.4Å
127T97.6Very high97.6Very high78 Ų7838.4 Ų38.448%0.47923%0.233SC..  trans-79172.5-17569.90000112.5A129 D130 K131T127-A129 VanDerWaalsContact C-N 3.31Å; T127-A129 PolarHBondContact OG1-N 3.31Å; T127-D130 WeakPolarHBondContact CB-OD2 3.25Å; T127-D130 PolarHBondContact N-OD2 2.98Å; T127-D130 PolarHBondContact OG1-N 3.43Å; T127-D130 VanDerWaalsContact OG1-N 3.12Å; T127-D130 PolarHBondContact OG1-OD2 3.04Å; T127-K131 WeakPolarHBondContact O-CD 3.45Å; T127-K131 WeakPolarHBondContact O-CG 3.36Å
128F98.1Very high97.5Very high33 Ų3342 Ų4215%0.14525%0.246CC..Hα-helixtrans-63.9-40.1169-62.9-60000111.3R122 D130 K131 I132 I145 I156 M158 H160 M170R122-F128 HydrophobicContact CB-CE1 4.5Å; R122-F128 HydrophobicContact CG-CE1 3.8Å; R122-F128 HydrophobicContact CG-CZ 4.18Å; F128-D130 VanDerWaalsContact C-N 3.34Å; F128-D130 PolarHBondContact O-N 2.9Å; F128-K131 PolarHBondContact O-N 3.39Å; F128-I132 HydrophobicContact CB-CD1 4.23Å; F128-I132 WeakPolarHBondContact O-CB 3.37Å; F128-I132 WeakPolarHBondContact O-CD1 3.28Å; F128-I132 VanDerWaalsContact O-CG1 3.22Å; F128-I132 WeakPolarHBondContact O-CG1 3.38Å; F128-I132 PolarHBondContact O-N 2.98Å; F128-I145 HydrophobicContact CD1-CG2 4.19Å; F128-I145 HydrophobicContact CE1-CG2 4.13Å; F128-I156 HydrophobicContact CE2-CD1 4.43Å; F128-I156 HydrophobicContact CZ-CD1 4.14Å; F128-M158 HydrophobicContact CB-CB 4.35Å; F128-M158 HydrophobicContact CB-SD 4.47Å; F128-M158 HydrophobicContact CD1-CB 4.42Å; F128-M158 HydrophobicContact CD1-CG 3.86Å; F128-M158 HydrophobicContact CD1-SD 3.54Å; F128-M158 VanDerWaalsContact CD1-SD 3.54Å; F128-M158 HydrophobicContact CD2-CB 3.87Å; F128-M158 HydrophobicContact CD2-CG 3.97Å; F128-M158 HydrophobicContact CE1-CG 3.9Å; F128-M158 HydrophobicContact CE1-SD 3.86Å; F128-M158 HydrophobicContact CE2-CB 4.26Å; F128-M158 HydrophobicContact CE2-CG 4Å; F128-M158 HydrophobicContact CG-CB 3.96Å; F128-M158 HydrophobicContact CG-CG 3.91Å; F128-M158 HydrophobicContact CG-SD 3.99Å; F128-M158 HydrophobicContact CZ-CG 3.98Å; F128-H160 HydrophobicContact CB-CB 4.26Å; F128-M170 HydrophobicContact CD1-CE 4.3Å; F128-M170 HydrophobicContact CE1-CE 3.28Å; F128-M170 HydrophobicContact CZ-CE 3.43Å; F128-M170 VanDerWaalsContact CZ-CE 3.43Å
129A97.8Very high97.4Very high22 Ų2244.1 Ų44.118%0.18227%0.269CS..Hα-helixtrans-58.8-45.1178.800000111.7T127 K131 I132 H133 H160 A163T127-A129 VanDerWaalsContact C-N 3.31Å; T127-A129 PolarHBondContact OG1-N 3.31Å; A129-K131 VanDerWaalsContact C-N 3.31Å; A129-K131 PolarHBondContact O-N 2.89Å; A129-I132 PolarHBondContact O-N 3.23Å; A129-H133 WeakPolarHBondContact O-CB 3.47Å; A129-H133 PolarHBondContact O-N 3Å; A129-H160 HydrophobicContact CB-CB 4.09Å; A129-A163 HydrophobicContact CB-CB 3.92Å
130D97.7Very high97.3Very high80 Ų8044.4 Ų44.443%0.42827%0.271SS..Hα-helixtrans-58.8-43.2179-56.7-40.9000112C126 T127 F128 L134C126-D130 HydrophobicContact CB-CB 4.06Å; T127-D130 WeakPolarHBondContact CB-OD2 3.25Å; T127-D130 PolarHBondContact N-OD2 2.98Å; T127-D130 PolarHBondContact OG1-N 3.43Å; T127-D130 VanDerWaalsContact OG1-N 3.12Å; T127-D130 PolarHBondContact OG1-OD2 3.04Å; F128-D130 VanDerWaalsContact C-N 3.34Å; F128-D130 PolarHBondContact O-N 2.9Å; D130-L134 VanDerWaalsContact O-CB 3.26Å; D130-L134 WeakPolarHBondContact O-CB 3.38Å; D130-L134 PolarHBondContact O-N 3.23Å
131K98.2Very high97.3Very high1 Ų146.5 Ų46.50%0.00429%0.285CS..Hα-helixtrans-67.8-45.4-179.3-63.7165.7-167.4-74.20111.8N94 I120 Q121 G123 C126 T127 F128 A129 A135 I145N94-K131 PolarHBondContact O-NZ 3.05Å; I120-K131 HydrophobicContact CD1-CB 4.18Å; I120-K131 WeakPolarHBondContact CD1-O 3.37Å; I120-K131 HydrophobicContact CG2-CB 4.1Å; I120-K131 HydrophobicContact CG2-CD 3.94Å; I120-K131 HydrophobicContact CG2-CG 3.93Å; Q121-K131 PolarHBondContact O-NZ 2.99Å; G123-K131 PolarHBondContact O-NZ 3.38Å; C126-K131 PolarHBondContact SG-NZ 3.47Å; C126-K131 VanDerWaalsContact SG-NZ 3.4Å; T127-K131 WeakPolarHBondContact O-CD 3.45Å; T127-K131 WeakPolarHBondContact O-CG 3.36Å; F128-K131 PolarHBondContact O-N 3.39Å; A129-K131 VanDerWaalsContact C-N 3.31Å; A129-K131 PolarHBondContact O-N 2.89Å; K131-A135 PolarHBondContact O-N 3.01Å; K131-A135 VanDerWaalsContact O-N 3.13Å; K131-I145 HydrophobicContact CB-CD1 4.08Å; K131-I145 HydrophobicContact CD-CD1 4.4Å
132I98.6Very high97.3Very high0 Ų044.9 Ų44.90%028%0.278CS..Hα-helixtrans-69.2-44-178.2-64.3161.1000109.7F128 A129 L134 A135 Y136 A143 I145 H160 A163 I166 A168F128-I132 HydrophobicContact CB-CD1 4.23Å; F128-I132 WeakPolarHBondContact O-CB 3.37Å; F128-I132 WeakPolarHBondContact O-CD1 3.28Å; F128-I132 VanDerWaalsContact O-CG1 3.22Å; F128-I132 WeakPolarHBondContact O-CG1 3.38Å; F128-I132 PolarHBondContact O-N 2.98Å; A129-I132 PolarHBondContact O-N 3.23Å; I132-L134 PolarHBondContact O-N 3Å; I132-A135 WeakPolarHBondContact O-CB 3.4Å; I132-A135 PolarHBondContact O-N 3.41Å; I132-A135 VanDerWaalsContact O-N 3.14Å; I132-Y136 PolarHBondContact O-N 3.02Å; I132-A143 HydrophobicContact CB-CB 4.43Å; I132-A143 HydrophobicContact CG1-CB 4.03Å; I132-A143 HydrophobicContact CG2-CB 4.37Å; I132-I145 HydrophobicContact CG1-CD1 4.49Å; I132-H160 HydrophobicContact CD1-CB 3.71Å; I132-H160 VanDerWaalsContact CD1-CG 3.42Å; I132-A163 HydrophobicContact CB-CB 3.95Å; I132-A163 HydrophobicContact CG2-CB 3.93Å; I132-I166 HydrophobicContact CG2-CD1 4.22Å; I132-I166 HydrophobicContact CG2-CG1 4.07Å; I132-A168 HydrophobicContact CD1-CB 3.57Å; I132-A168 HydrophobicContact CG1-CB 3.92Å; I132-A168 HydrophobicContact CG2-CB 4.11Å
133H98.3Very high97.3Very high80 Ų8042 Ų4237%0.3727%0.267SS..Hα-helixtrans-62.2-42.5177.2-176.658.4000111.9A129 A135 Y136 E137 A163A129-H133 WeakPolarHBondContact O-CB 3.47Å; A129-H133 PolarHBondContact O-N 3Å; H133-A135 VanDerWaalsContact C-N 3.32Å; H133-A135 PolarHBondContact O-N 3.24Å; H133-Y136 WeakPolarHBondContact O-CB 3.33Å; H133-Y136 PolarHBondContact O-N 2.93Å; H133-E137 IonicContact CE1-OE1 2.81Å; H133-E137 WeakPolarHBondContact O-CB 3.47Å; H133-E137 WeakPolarHBondContact O-CG 3.48Å; H133-E137 PolarHBondContact O-N 3.45Å; H133-A163 WeakPolarHBondContact CA-O 3.32Å; H133-A163 HydrophobicContact CB-CB 4.45Å; H133-A163 PolarHBondContact N-O 3.31Å
134L97.8Very high97.5Very high13 Ų1340.7 Ų40.77%0.06825%0.253CS..Hα-helixtrans-61.8-39174.317664.4000112.4A95 P98 D130 I132 E137 R138A95-L134 HydrophobicContact CB-CD2 3.81Å; A95-L134 WeakPolarHBondContact O-CD2 3.39Å; P98-L134 WeakPolarHBondContact O-CD1 3.38Å; D130-L134 VanDerWaalsContact O-CB 3.26Å; D130-L134 WeakPolarHBondContact O-CB 3.38Å; D130-L134 PolarHBondContact O-N 3.23Å; I132-L134 PolarHBondContact O-N 3Å; L134-E137 PolarHBondContact O-N 2.82Å; L134-R138 HydrophobicContact CD1-CG 4.33Å; L134-R138 VanDerWaalsContact O-CG 3.26Å; L134-R138 WeakPolarHBondContact O-CG 3.24Å; L134-R138 PolarHBondContact O-N 2.91Å; L134-R138 VanDerWaalsContact O-N 3.15Å
135A98.3Very high97.7Very high0 Ų038.1 Ų38.10%023%0.227CC..Hα-helixtrans-63.9-43.4175.200000111.6A118 I120 K131 I132 H133 R138 G139 A140 A143 I166A118-A135 HydrophobicContact CB-CB 3.54Å; I120-A135 HydrophobicContact CD1-CB 4.34Å; K131-A135 PolarHBondContact O-N 3.01Å; K131-A135 VanDerWaalsContact O-N 3.13Å; I132-A135 WeakPolarHBondContact O-CB 3.4Å; I132-A135 PolarHBondContact O-N 3.41Å; I132-A135 VanDerWaalsContact O-N 3.14Å; H133-A135 VanDerWaalsContact C-N 3.32Å; H133-A135 PolarHBondContact O-N 3.24Å; A135-R138 PolarHBondContact O-N 3.08Å; A135-G139 PolarHBondContact O-N 3.5Å; A135-A140 HydrophobicContact CB-CB 4.06Å; A135-A140 VanDerWaalsContact O-CB 3.25Å; A135-A140 WeakPolarHBondContact O-CB 3.11Å; A135-A140 PolarHBondContact O-N 2.95Å; A135-A143 HydrophobicContact CB-CB 4.12Å; A135-I166 HydrophobicContact CB-CD1 4.08Å
136Y97.8Very high97.9Very high103 Ų10334 Ų3440%0.40418%0.184SC..Hα-helixtrans-57.7-50.5174.2172.2-101.7000111.9I132 H133 R138 G139 I166I132-Y136 PolarHBondContact O-N 3.02Å; H133-Y136 WeakPolarHBondContact O-CB 3.33Å; H133-Y136 PolarHBondContact O-N 2.93Å; Y136-R138 PolarHBondContact O-N 3.01Å; Y136-R138 VanDerWaalsContact O-N 3.14Å; Y136-G139 PolarHBondContact O-N 3.15Å; Y136-I166 HydrophobicContact CD2-CG2 3.74Å
137E97Very high98Very high108 Ų10832.8 Ų32.851%0.50518%0.176SC..Hα-helixtrans-62.3-21.2178.3-75.2-67.5135.900113.6H133 L134H133-E137 IonicContact CE1-OE1 2.81Å; H133-E137 WeakPolarHBondContact O-CB 3.47Å; H133-E137 WeakPolarHBondContact O-CG 3.48Å; H133-E137 PolarHBondContact O-N 3.45Å; L134-E137 PolarHBondContact O-N 2.82Å
138R96.5Very high97.9Very high75 Ų7533.1 Ų33.128%0.28317%0.17SC..THydrogen-bonded Turntrans-91.6-1174.7-65-64.9-179-85.7-5.3113.3P98 T100 F102 W116 L134 A135 Y136P98-R138 PolarHBondContact O-NH2 3.41Å; T100-R138 PolarHBondContact O-NE 3.24Å; T100-R138 PolarHBondContact O-NH2 2.97Å; F102-R138 HydrophobicContact CD2-CB 4.16Å; F102-R138 HydrophobicContact CD2-CG 3.97Å; F102-R138 HydrophobicContact CE2-CB 4.47Å; F102-R138 HydrophobicContact CE2-CG 4.09Å; W116-R138 HydrophobicContact CH2-CB 4.07Å; W116-R138 HydrophobicContact CZ2-CB 3.99Å; W116-R138 WeakPolarHBondContact CZ2-O 3.31Å; L134-R138 HydrophobicContact CD1-CG 4.33Å; L134-R138 VanDerWaalsContact O-CG 3.26Å; L134-R138 WeakPolarHBondContact O-CG 3.24Å; L134-R138 PolarHBondContact O-N 2.91Å; L134-R138 VanDerWaalsContact O-N 3.15Å; A135-R138 PolarHBondContact O-N 3.08Å; Y136-R138 PolarHBondContact O-N 3.01Å; Y136-R138 VanDerWaalsContact O-N 3.14Å
139G96.5Very high97.8Very high45 Ų4535.7 Ų35.746%0.46419%0.19SC..THydrogen-bonded Turntrans85.320.5177.600000114.3W116 A135 Y136W116-G139 PolarHBondContact NE1-O 2.92Å; W116-G139 VanDerWaalsContact NE1-O 3.08Å; A135-G139 PolarHBondContact O-N 3.5Å; Y136-G139 PolarHBondContact O-N 3.15Å
140A98Very high97.6Very high5 Ų538 Ų384%0.04122%0.217CC..  trans-67.9143.4172.700000110.4W116 A118 A135 G142 I166W116-A140 HydrophobicContact CD2-CB 4.04Å; W116-A140 VanDerWaalsContact CE2-CA 3.47Å; W116-A140 HydrophobicContact CE3-CB 4.08Å; W116-A140 HydrophobicContact CH2-CB 3.75Å; W116-A140 HydrophobicContact CZ2-CB 3.67Å; W116-A140 HydrophobicContact CZ3-CB 3.96Å; A118-A140 HydrophobicContact CB-CB 4.23Å; A135-A140 HydrophobicContact CB-CB 4.06Å; A135-A140 VanDerWaalsContact O-CB 3.25Å; A135-A140 WeakPolarHBondContact O-CB 3.11Å; A135-A140 PolarHBondContact O-N 2.95Å; A140-G142 VanDerWaalsContact C-N 3.28Å; A140-I166 WeakPolarHBondContact O-CG2 3.27Å
141S98Very high97.4Very high44 Ų4434.8 Ų34.831%0.30820%0.2SC..SBendtrans-78.4-17.9173.5-52.10000112.3S115 W116S115-S141 PolarHBondContact OG-OG 3.41Å; W116-S141 PolarHBondContact O-N 3.29Å
142G98.3Very high97.3Very high0 Ų043.6 Ų43.60%023%0.234CC..EExtended strand (participates in β ladder)trans-167.4162.1178.100000112.7L117 A118 A140 V167L117-G142 CarbonylContact C-O 3.56Å; L117-G142 WeakPolarHBondContact CA-O 3.28Å; A118-G142 PolarHBondContact N-O 3.41Å; A140-G142 VanDerWaalsContact C-N 3.28Å; G142-V167 CarbonylContact C-O 3.5Å; G142-V167 WeakPolarHBondContact CA-O 3.44Å
143A98.7Very high97.2Very high0 Ų048.8 Ų48.80%026%0.261CS..EExtended strand (participates in β ladder)trans-117.5123.3179.500000110.8I132 A135 I145 I166 V167 A168 I169I132-A143 HydrophobicContact CB-CB 4.43Å; I132-A143 HydrophobicContact CG1-CB 4.03Å; I132-A143 HydrophobicContact CG2-CB 4.37Å; A135-A143 HydrophobicContact CB-CB 4.12Å; A143-I145 HydrophobicContact CB-CD1 4.49Å; A143-I166 HydrophobicContact CB-CD1 4.23Å; A143-V167 PolarHBondContact N-O 2.98Å; A143-A168 WeakPolarHBondContact O-CA 3.34Å; A143-I169 PolarHBondContact O-N 3.27Å
144V98.8Very high97Very high0 Ų051.1 Ų51.10%027%0.272CS..EExtended strand (participates in β ladder)trans-107.9102.1176.6-1770000108.5L84 L117 A118 L119 I120 I169 I171 M191 I193L84-V144 HydrophobicContact CD2-CB 4.23Å; L84-V144 HydrophobicContact CD2-CG2 3.92Å; L117-V144 HydrophobicContact CB-CG2 4.3Å; L117-V144 HydrophobicContact CD1-CG2 4.43Å; A118-V144 PolarHBondContact O-N 3.38Å; L119-V144 HydrophobicContact CD1-CB 4.31Å; L119-V144 HydrophobicContact CD1-CG1 4.03Å; I120-V144 PolarHBondContact N-O 3.08Å; V144-I169 HydrophobicContact CB-CG1 4.38Å; V144-I169 HydrophobicContact CG1-CD1 4.25Å; V144-I169 HydrophobicContact CG1-CG1 4.22Å; V144-I169 HydrophobicContact CG2-CD1 4.18Å; V144-I169 HydrophobicContact CG2-CG1 4.02Å; V144-I171 HydrophobicContact CG1-CD1 3.76Å; V144-I171 HydrophobicContact CG1-CG1 4.03Å; V144-I171 HydrophobicContact CG1-CG2 4.21Å; V144-M191 HydrophobicContact CG1-CE 4.48Å; V144-M191 HydrophobicContact CG1-SD 4.38Å; V144-M191 HydrophobicContact CG2-SD 3.91Å; V144-I193 HydrophobicContact CG2-CD1 3.96Å
145I98.8Very high96.8Very high0 Ų052.8 Ų52.80%028%0.283CS..EExtended strand (participates in β ladder)trans-89.8119.7179-50-54.3000108.9I120 R122 F128 K131 I132 A143 M158 I169 M170 I171I120-I145 HydrophobicContact CB-CD1 3.85Å; I120-I145 HydrophobicContact CD1-CD1 4.48Å; I120-I145 HydrophobicContact CG2-CD1 4.36Å; I120-I145 CarbonylContact O-C 3.53Å; I120-I145 VanDerWaalsContact O-CA 3.26Å; I120-I145 WeakPolarHBondContact O-CA 3.49Å; R122-I145 HydrophobicContact CB-CG2 4.1Å; F128-I145 HydrophobicContact CD1-CG2 4.19Å; F128-I145 HydrophobicContact CE1-CG2 4.13Å; K131-I145 HydrophobicContact CB-CD1 4.08Å; K131-I145 HydrophobicContact CD-CD1 4.4Å; I132-I145 HydrophobicContact CG1-CD1 4.49Å; A143-I145 HydrophobicContact CB-CD1 4.49Å; I145-M158 HydrophobicContact CB-SD 3.79Å; I145-M158 HydrophobicContact CG1-CE 4.2Å; I145-M158 HydrophobicContact CG1-SD 3.71Å; I145-M158 HydrophobicContact CG2-SD 4.23Å; I145-I169 PolarHBondContact N-O 2.99Å; I145-M170 HydrophobicContact CG2-CE 4.32Å; I145-M170 CarbonylContact O-C 3.53Å; I145-M170 WeakPolarHBondContact O-CA 3.36Å; I145-M170 WeakPolarHBondContact O-CG 3.31Å; I145-I171 PolarHBondContact O-N 3.13Å
146F98.5Very high96.6Very high0 Ų055.5 Ų55.50%030%0.297CS..EExtended strand (participates in β ladder)trans-102.2142172.869.9-82.7000111.7L119 I120 Q121 R122 I171 L180L119-F146 HydrophobicContact CD1-CD1 3.73Å; L119-F146 HydrophobicContact CD1-CE1 4.27Å; L119-F146 HydrophobicContact CG-CD1 4.04Å; L119-F146 HydrophobicContact CG-CE1 4.07Å; I120-F146 VanDerWaalsContact O-CD1 3.25Å; I120-F146 WeakPolarHBondContact O-CD1 3.45Å; I120-F146 PolarHBondContact O-N 3.12Å; Q121-F146 HydrophobicContact CB-CD1 4.46Å; Q121-F146 HydrophobicContact CB-CE1 3.76Å; Q121-F146 HydrophobicContact CB-CE2 3.89Å; Q121-F146 HydrophobicContact CB-CZ 3.43Å; Q121-F146 VanDerWaalsContact CB-CZ 3.43Å; Q121-F146 HydrophobicContact CG-CD2 4.16Å; Q121-F146 HydrophobicContact CG-CE1 4.35Å; Q121-F146 HydrophobicContact CG-CE2 3.56Å; Q121-F146 HydrophobicContact CG-CZ 3.66Å; R122-F146 WeakPolarHBondContact CB-O 3.38Å; R122-F146 PolarHBondContact N-O 3.24Å; F146-I171 WeakPolarHBondContact CA-O 3.46Å; F146-I171 HydrophobicContact CB-CD1 4.08Å; F146-I171 HydrophobicContact CB-CG1 3.58Å; F146-L180 HydrophobicContact CZ-CD2 4.03Å
147N98Very high96.3Very high1 Ų153.5 Ų53.51%0.00530%0.297CS..PPolyproline II helixtrans-65.9160.1-173.9-154.40.6000112.1R122 T151 E154 I171 N173R122-N147 VanDerWaalsContact CD-OD1 3.3Å; R122-N147 WeakPolarHBondContact CD-OD1 3.42Å; R122-N147 PolarHBondContact NH1-OD1 3.22Å; N147-T151 WeakPolarHBondContact CB-OG1 3.29Å; N147-T151 VanDerWaalsContact ND2-CB 3.3Å; N147-T151 WeakPolarHBondContact ND2-CB 3.44Å; N147-T151 PolarHBondContact ND2-OG1 3.49Å; N147-E154 PolarHBondContact ND2-O 2.92Å; N147-I171 PolarHBondContact N-O 3.49Å; N147-N173 HydrophobicContact CB-CB 4.32Å; N147-N173 VanDerWaalsContact O-CB 3.3Å; N147-N173 WeakPolarHBondContact O-CB 3.05Å; N147-N173 PolarHBondContact O-ND2 3.27Å
148F95.3Very high96.2Very high85 Ų8548.4 Ų48.437%0.37327%0.273SS..PPolyproline II helixtrans-75.4161.5-176.357.4-101.9000112.5R122 G150 T151 N173R122-F148 HydrophobicContact CB-CD1 4.49Å; R122-F148 HydrophobicContact CG-CD1 4.13Å; F148-G150 PolarHBondContact O-N 2.86Å; F148-T151 HydrophobicContact CD2-CG2 3.73Å; F148-T151 HydrophobicContact CE1-CG2 4.33Å; F148-T151 HydrophobicContact CE2-CG2 3.34Å; F148-T151 HydrophobicContact CG-CG2 4.36Å; F148-T151 HydrophobicContact CZ-CG2 3.67Å; F148-T151 PolarHBondContact O-OG1 3.45Å; F148-N173 VanDerWaalsContact C-ND2 3.34Å; F148-N173 WeakPolarHBondContact O-CB 3.26Å; F148-N173 PolarHBondContact O-ND2 3.33Å
149P96.1Very high96.1Very high87 Ų8747.2 Ų47.257%0.56528%0.276SS*.THydrogen-bonded Turntrans-54.9138.4-178.3-27.836.3000113.7
150G94.6Very high96.1Very high72 Ų7245.2 Ų45.274%0.74225%0.254SS*.THydrogen-bonded Turntrans101.9-18.6178.100000114.9F148 R152F148-G150 PolarHBondContact O-N 2.86Å; G150-R152 VanDerWaalsContact C-N 3.35Å; G150-R152 PolarHBondContact O-N 2.93Å
151T94.4Very high95.9Very high12 Ų1249.1 Ų49.17%0.07428%0.279CS..  trans-86.3-2-178.765.80000114.4N147 F148 N153 E154N147-T151 WeakPolarHBondContact CB-OG1 3.29Å; N147-T151 VanDerWaalsContact ND2-CB 3.3Å; N147-T151 WeakPolarHBondContact ND2-CB 3.44Å; N147-T151 PolarHBondContact ND2-OG1 3.49Å; F148-T151 HydrophobicContact CD2-CG2 3.73Å; F148-T151 HydrophobicContact CE1-CG2 4.33Å; F148-T151 HydrophobicContact CE2-CG2 3.34Å; F148-T151 HydrophobicContact CG-CG2 4.36Å; F148-T151 HydrophobicContact CZ-CG2 3.67Å; F148-T151 PolarHBondContact O-OG1 3.45Å; T151-N153 PolarHBondContact O-N 2.94Å; T151-N153 VanDerWaalsContact O-N 3.11Å; T151-E154 VanDerWaalsContact O-CB 3.22Å; T151-E154 WeakPolarHBondContact O-CB 3.48Å; T151-E154 VanDerWaalsContact O-CG 3.23Å; T151-E154 WeakPolarHBondContact O-CG 3.4Å; T151-E154 PolarHBondContact O-N 3.38Å
152R96.2Very high95.5Very high186 Ų18651 Ų5170%0.70231%0.305SS*.THydrogen-bonded Turntrans55.5-112.2178.2-57.6178.6178.2177.6-0.7112.9G150 G172 N173 L174G150-R152 VanDerWaalsContact C-N 3.35Å; G150-R152 PolarHBondContact O-N 2.93Å; R152-G172 CarbonylContact O-C 3.54Å; R152-N173 PolarHBondContact O-N 2.9Å; R152-L174 HydrophobicContact CB-CD1 4.11Å; R152-L174 HydrophobicContact CB-CG 4.45Å; R152-L174 PolarHBondContact O-N 3.34Å
153N95.6Very high95Very high108 Ų10851.1 Ų51.158%0.57831%0.306SS*.THydrogen-bonded Turntrans-1014.3179.6-67.8-20.2000112.7T151 V155T151-N153 PolarHBondContact O-N 2.94Å; T151-N153 VanDerWaalsContact O-N 3.11Å; N153-V155 PolarHBondContact O-N 3.43Å
154E94.3Very high94.3Very high129 Ų12952.1 Ų52.160%0.60332%0.317SS*.  trans-65.1134.8-179.7-65.9172.2-173.800110.8N147 T151N147-E154 PolarHBondContact ND2-O 2.92Å; T151-E154 VanDerWaalsContact O-CB 3.22Å; T151-E154 WeakPolarHBondContact O-CB 3.48Å; T151-E154 VanDerWaalsContact O-CG 3.23Å; T151-E154 WeakPolarHBondContact O-CG 3.4Å; T151-E154 PolarHBondContact O-N 3.38Å
155V94.4Very high94Very high49 Ų4958.8 Ų58.830%0.29735%0.353SS..  trans-127.6144.9174.6-73.10000108.6V70 N153 M170 G172V70-V155 HydrophobicContact CG1-CG2 4.12Å; V70-V155 HydrophobicContact CG2-CB 4.25Å; N153-V155 PolarHBondContact O-N 3.43Å; V155-M170 HydrophobicContact CB-CG 4.41Å; V155-M170 HydrophobicContact CG1-CG 4.19Å; V155-G172 VanDerWaalsContact CG1-N 3.34Å
156I92.6Very high93.9Very high57 Ų5759.4 Ų59.429%0.29236%0.356SS..  trans-125.6150.6178.862.8157.1000109.6V70 R122 F128 M158 M170V70-I156 WeakPolarHBondContact CG2-O 3.43Å; R122-I156 VanDerWaalsContact NH1-CD1 3.33Å; F128-I156 HydrophobicContact CE2-CD1 4.43Å; F128-I156 HydrophobicContact CZ-CD1 4.14Å; I156-M158 PolarHBondContact O-N 2.91Å; I156-M170 HydrophobicContact CB-SD 4.41Å; I156-M170 HydrophobicContact CG1-CE 3.79Å; I156-M170 HydrophobicContact CG1-SD 3.54Å; I156-M170 VanDerWaalsContact CG1-SD 3.54Å; I156-M170 PolarHBondContact N-SD 3.44Å; I156-M170 VanDerWaalsContact N-SD 3.36Å
157P92.5Very high93.9Very high61 Ų6159.4 Ų59.440%0.39636%0.356SS..  trans-61.1138.9171.725.9-33.6000110.3V42 Q73V42-P157 HydrophobicContact CG2-CB 4.08Å; V42-P157 HydrophobicContact CG2-CG 4.48Å; Q73-P157 HydrophobicContact CG-CB 4.31Å
158M94.5Very high93.9Very high0 Ų059.4 Ų59.40%036%0.356CS..  trans-104.3125.8175.6-59.6-174.8-61.900109.1G72 Q73 F128 I145 I156 A168 M170G72-M158 CarbonylContact C-O 3.57Å; G72-M158 WeakPolarHBondContact CA-O 3.16Å; Q73-M158 PolarHBondContact N-O 3.41Å; F128-M158 HydrophobicContact CB-CB 4.35Å; F128-M158 HydrophobicContact CB-SD 4.47Å; F128-M158 HydrophobicContact CD1-CB 4.42Å; F128-M158 HydrophobicContact CD1-CG 3.86Å; F128-M158 HydrophobicContact CD1-SD 3.54Å; F128-M158 VanDerWaalsContact CD1-SD 3.54Å; F128-M158 HydrophobicContact CD2-CB 3.87Å; F128-M158 HydrophobicContact CD2-CG 3.97Å; F128-M158 HydrophobicContact CE1-CG 3.9Å; F128-M158 HydrophobicContact CE1-SD 3.86Å; F128-M158 HydrophobicContact CE2-CB 4.26Å; F128-M158 HydrophobicContact CE2-CG 4Å; F128-M158 HydrophobicContact CG-CB 3.96Å; F128-M158 HydrophobicContact CG-CG 3.91Å; F128-M158 HydrophobicContact CG-SD 3.99Å; F128-M158 HydrophobicContact CZ-CG 3.98Å; I145-M158 HydrophobicContact CB-SD 3.79Å; I145-M158 HydrophobicContact CG1-CE 4.2Å; I145-M158 HydrophobicContact CG1-SD 3.71Å; I145-M158 HydrophobicContact CG2-SD 4.23Å; I156-M158 PolarHBondContact O-N 2.91Å; M158-A168 HydrophobicContact CE-CB 4.32Å; M158-M170 HydrophobicContact CE-CB 4.05Å; M158-M170 HydrophobicContact CG-CB 4.14Å; M158-M170 HydrophobicContact CG-CE 3.59Å; M158-M170 HydrophobicContact SD-CB 3.87Å; M158-M170 HydrophobicContact SD-CE 3.73Å
159S94.6Very high94.1Very high50 Ų5055.3 Ų55.335%0.3534%0.338SS..  trans-98.8132.1162.7-175.80000108.8D74D74-S159 WeakPolarHBondContact OD2-CA 3.32Å; D74-S159 PolarHBondContact OD2-OG 3.45Å; D74-S159 VanDerWaalsContact OD2-OG 3.12Å
160H95.6Very high94.2Very high4 Ų451.2 Ų51.22%0.01931%0.311CS..  trans-152.755.4-174.95984.3000111.9G72 D74 S75 F128 A129 I132 G162 A163G72-H160 WeakPolarHBondContact CA-NE2 3.31Å; D74-H160 PolarHBondContact OD2-N 3.48Å; S75-H160 PolarHBondContact N-CE1 3.39Å; S75-H160 VanDerWaalsContact N-CE1 3.35Å; F128-H160 HydrophobicContact CB-CB 4.26Å; A129-H160 HydrophobicContact CB-CB 4.09Å; I132-H160 HydrophobicContact CD1-CB 3.71Å; I132-H160 VanDerWaalsContact CD1-CG 3.42Å; H160-G162 PolarHBondContact O-N 2.83Å; H160-A163 HydrophobicContact CB-CB 4.02Å; H160-A163 WeakPolarHBondContact O-CB 3.28Å; H160-A163 PolarHBondContact O-N 2.91Å
161P93.9Very high94.4Very high87 Ų8747.8 Ų47.857%0.56528%0.276SS*.THydrogen-bonded Turntrans-60.6133.4-18027.7-35.4000110.4
162G89.5Confident94.6Very high82 Ų8247.4 Ų47.485%0.84527%0.274SS*.THydrogen-bonded Turntrans77.614.7176.700000115.7H160 G164H160-G162 PolarHBondContact O-N 2.83Å; G162-G164 VanDerWaalsContact C-N 3.29Å; G162-G164 PolarHBondContact O-N 3.32Å
163A88.1Confident94.7Very high3 Ų339.2 Ų39.23%0.02524%0.244CC..SBendtrans-85.714-17700000115.5A129 I132 H133 H160A129-A163 HydrophobicContact CB-CB 3.92Å; I132-A163 HydrophobicContact CB-CB 3.95Å; I132-A163 HydrophobicContact CG2-CB 3.93Å; H133-A163 WeakPolarHBondContact CA-O 3.32Å; H133-A163 HydrophobicContact CB-CB 4.45Å; H133-A163 PolarHBondContact N-O 3.31Å; H160-A163 HydrophobicContact CB-CB 4.02Å; H160-A163 WeakPolarHBondContact O-CB 3.28Å; H160-A163 PolarHBondContact O-N 2.91Å
164G84.8Confident94.7Very high22 Ų2238.5 Ų38.523%0.22724%0.24CC..  trans93.8163.3-17600000113.9G162 I166G162-G164 VanDerWaalsContact C-N 3.29Å; G162-G164 PolarHBondContact O-N 3.32Å; G164-I166 PolarHBondContact O-N 3.29Å
165D91.1Very high94.9Very high140 Ų14032.9 Ų32.975%0.74921%0.213SC*.SBendtrans-94.656.3-173.3-65.3-26.2000111.6
166I97.9Very high95.1Very high12 Ų1230.5 Ų30.56%0.06220%0.199CC..SBendtrans-123.3150.8173.156.4164.2000111.1P76 I132 A135 Y136 A140 A143 G164 A168P76-I166 WeakPolarHBondContact CD-O 3.45Å; I132-I166 HydrophobicContact CG2-CD1 4.22Å; I132-I166 HydrophobicContact CG2-CG1 4.07Å; A135-I166 HydrophobicContact CB-CD1 4.08Å; Y136-I166 HydrophobicContact CD2-CG2 3.74Å; A140-I166 WeakPolarHBondContact O-CG2 3.27Å; A143-I166 HydrophobicContact CB-CD1 4.23Å; G164-I166 PolarHBondContact O-N 3.29Å; I166-A168 PolarHBondContact O-N 2.89Å
167V98.4Very high95.3Very high1 Ų129.8 Ų29.81%0.00620%0.198CC..EExtended strand (participates in β ladder)trans-62.5125.6176.7172.20000109.9Y71 P76 E78 V80 G142 A143 I169Y71-V167 HydrophobicContact CD1-CG1 4.14Å; Y71-V167 HydrophobicContact CE1-CG1 3.58Å; P76-V167 HydrophobicContact CB-CG2 4.43Å; E78-V167 HydrophobicContact CG-CG2 3.78Å; E78-V167 WeakPolarHBondContact O-CG2 3.46Å; V80-V167 HydrophobicContact CB-CB 4.23Å; V80-V167 HydrophobicContact CB-CG2 4.12Å; V80-V167 HydrophobicContact CG1-CB 3.71Å; V80-V167 HydrophobicContact CG1-CG1 3.75Å; V80-V167 HydrophobicContact CG1-CG2 4.09Å; G142-V167 CarbonylContact C-O 3.5Å; G142-V167 WeakPolarHBondContact CA-O 3.44Å; A143-V167 PolarHBondContact N-O 2.98Å; V167-I169 HydrophobicContact CG1-CG2 4.25Å
168A98.5Very high95.5Very high0 Ų031.6 Ų31.60%020%0.199CC..EExtended strand (participates in β ladder)trans-122.8123.2178.300000110.8G72 S75 I132 A143 M158 I166G72-A168 PolarHBondContact N-O 2.96Å; S75-A168 PolarHBondContact OG-N 2.92Å; S75-A168 PolarHBondContact OG-O 3.16Å; I132-A168 HydrophobicContact CD1-CB 3.57Å; I132-A168 HydrophobicContact CG1-CB 3.92Å; I132-A168 HydrophobicContact CG2-CB 4.11Å; A143-A168 WeakPolarHBondContact O-CA 3.34Å; M158-A168 HydrophobicContact CE-CB 4.32Å; I166-A168 PolarHBondContact O-N 2.89Å
169I98.5Very high95.7Very high0 Ų031.6 Ų31.60%020%0.199CC..EExtended strand (participates in β ladder)trans-126.1152.1177.365.1162.5000111.8A45 L47 V70 Y71 A143 V144 I145 V167 I171 M191 I193A45-I169 HydrophobicContact CB-CG2 4.29Å; L47-I169 HydrophobicContact CD1-CD1 4.43Å; L47-I169 HydrophobicContact CD2-CD1 3.51Å; V70-I169 CarbonylContact O-C 3.41Å; V70-I169 VanDerWaalsContact O-CA 3.27Å; V70-I169 WeakPolarHBondContact O-CA 3.28Å; Y71-I169 HydrophobicContact CD1-CG2 4.04Å; Y71-I169 HydrophobicContact CD2-CG2 4.19Å; Y71-I169 HydrophobicContact CE1-CG2 4.2Å; Y71-I169 HydrophobicContact CE2-CG2 4.31Å; Y71-I169 HydrophobicContact CG-CG2 4.04Å; A143-I169 PolarHBondContact O-N 3.27Å; V144-I169 HydrophobicContact CB-CG1 4.38Å; V144-I169 HydrophobicContact CG1-CD1 4.25Å; V144-I169 HydrophobicContact CG1-CG1 4.22Å; V144-I169 HydrophobicContact CG2-CD1 4.18Å; V144-I169 HydrophobicContact CG2-CG1 4.02Å; I145-I169 PolarHBondContact N-O 2.99Å; V167-I169 HydrophobicContact CG1-CG2 4.25Å; I169-I171 HydrophobicContact CD1-CG2 4.02Å; I169-M191 HydrophobicContact CD1-SD 4.31Å; I169-I193 HydrophobicContact CD1-CD1 3.53Å; I169-I193 HydrophobicContact CD1-CG1 3.99Å; I169-I193 HydrophobicContact CD1-CG2 4.11Å; I169-I193 HydrophobicContact CG1-CD1 3.92Å; I169-I193 HydrophobicContact CG2-CG2 3.9Å
170M98.4Very high95.8Very high0 Ų029.8 Ų29.80%019%0.185CC..EExtended strand (participates in β ladder)trans-105.2134.8167.2-175.8173.9-7300111.2G69 V70 F128 I145 V155 I156 M158G69-M170 CarbonylContact C-O 3.47Å; G69-M170 WeakPolarHBondContact CA-O 3.42Å; V70-M170 HydrophobicContact CG2-CB 4.09Å; V70-M170 PolarHBondContact N-O 3.44Å; V70-M170 PolarHBondContact O-N 2.86Å; F128-M170 HydrophobicContact CD1-CE 4.3Å; F128-M170 HydrophobicContact CE1-CE 3.28Å; F128-M170 HydrophobicContact CZ-CE 3.43Å; F128-M170 VanDerWaalsContact CZ-CE 3.43Å; I145-M170 HydrophobicContact CG2-CE 4.32Å; I145-M170 CarbonylContact O-C 3.53Å; I145-M170 WeakPolarHBondContact O-CA 3.36Å; I145-M170 WeakPolarHBondContact O-CG 3.31Å; V155-M170 HydrophobicContact CB-CG 4.41Å; V155-M170 HydrophobicContact CG1-CG 4.19Å; I156-M170 HydrophobicContact CB-SD 4.41Å; I156-M170 HydrophobicContact CG1-CE 3.79Å; I156-M170 HydrophobicContact CG1-SD 3.54Å; I156-M170 VanDerWaalsContact CG1-SD 3.54Å; I156-M170 PolarHBondContact N-SD 3.44Å; I156-M170 VanDerWaalsContact N-SD 3.36Å; M158-M170 HydrophobicContact CE-CB 4.05Å; M158-M170 HydrophobicContact CG-CB 4.14Å; M158-M170 HydrophobicContact CG-CE 3.59Å; M158-M170 HydrophobicContact SD-CB 3.87Å; M158-M170 HydrophobicContact SD-CE 3.73Å
171I98.4Very high95.9Very high0 Ų034.1 Ų34.10%021%0.206CC..EExtended strand (participates in β ladder)trans-119.8161170.466.5173.2000111.9L47 V144 I145 F146 N147 I169 K175 I179L47-I171 HydrophobicContact CD1-CG2 3.6Å; V144-I171 HydrophobicContact CG1-CD1 3.76Å; V144-I171 HydrophobicContact CG1-CG1 4.03Å; V144-I171 HydrophobicContact CG1-CG2 4.21Å; I145-I171 PolarHBondContact O-N 3.13Å; F146-I171 WeakPolarHBondContact CA-O 3.46Å; F146-I171 HydrophobicContact CB-CD1 4.08Å; F146-I171 HydrophobicContact CB-CG1 3.58Å; N147-I171 PolarHBondContact N-O 3.49Å; I169-I171 HydrophobicContact CD1-CG2 4.02Å; I171-K175 HydrophobicContact CD1-CB 4.42Å; I171-K175 HydrophobicContact CD1-CG 4.27Å; I171-I179 HydrophobicContact CD1-CD1 4.22Å
172G98.1Very high96Very high4 Ų430.9 Ų30.94%0.04119%0.185CC..  trans-63.4154.7177.700000112.9R152 V155 L174 K175 G176R152-G172 CarbonylContact O-C 3.54Å; V155-G172 VanDerWaalsContact CG1-N 3.34Å; G172-L174 VanDerWaalsContact C-N 3.34Å; G172-L174 PolarHBondContact O-N 3.34Å; G172-K175 PolarHBondContact O-N 2.86Å; G172-G176 PolarHBondContact O-N 3.48Å; G172-G176 VanDerWaalsContact O-N 3.07Å
173N98.2Very high96.3Very high14 Ų1428.7 Ų28.78%0.07515%0.154CC..Hα-helixtrans-59.7-40.7179.8175.6-107.8000112.7N147 F148 R152 G176 T177N147-N173 HydrophobicContact CB-CB 4.32Å; N147-N173 VanDerWaalsContact O-CB 3.3Å; N147-N173 WeakPolarHBondContact O-CB 3.05Å; N147-N173 PolarHBondContact O-ND2 3.27Å; F148-N173 VanDerWaalsContact C-ND2 3.34Å; F148-N173 WeakPolarHBondContact O-CB 3.26Å; F148-N173 PolarHBondContact O-ND2 3.33Å; R152-N173 PolarHBondContact O-N 2.9Å; N173-G176 PolarHBondContact O-N 3.47Å; N173-T177 VanDerWaalsContact O-CB 3.3Å; N173-T177 WeakPolarHBondContact O-CB 3.35Å; N173-T177 PolarHBondContact O-N 2.82Å; N173-T177 PolarHBondContact O-OG1 2.92Å
174L97.6Very high96.6Very high94 Ų9434.7 Ų34.749%0.49218%0.181SC..Hα-helixtrans-63.3-45.9-179.4-66.5177.9000111.9R152 G172 K178R152-L174 HydrophobicContact CB-CD1 4.11Å; R152-L174 HydrophobicContact CB-CG 4.45Å; R152-L174 PolarHBondContact O-N 3.34Å; G172-L174 VanDerWaalsContact C-N 3.34Å; G172-L174 PolarHBondContact O-N 3.34Å; L174-K178 WeakPolarHBondContact O-CB 3.07Å; L174-K178 PolarHBondContact O-N 3.5Å
175K97.5Very high97Very high10 Ų1043.1 Ų43.14%0.04321%0.206CC..Hα-helixtrans-64.7-48178.3-170.970.9172.5-120.10111.1E64 E68 I171 G172 T177 K178 I179E64-K175 IonicContact OE1-NZ 3.65Å; E64-K175 PolarHBondContact OE1-NZ 3.42Å; E64-K175 IonicContact OE2-NZ 3.56Å; E64-K175 PolarHBondContact OE2-NZ 2.95Å; E68-K175 VanDerWaalsContact OE1-CD 3.27Å; E68-K175 WeakPolarHBondContact OE1-CD 3.46Å; E68-K175 WeakPolarHBondContact OE1-CE 3.28Å; E68-K175 WeakPolarHBondContact OE1-CG 3.38Å; E68-K175 IonicContact OE1-NZ 2.76Å; E68-K175 PolarHBondContact OE1-NZ 2.92Å; I171-K175 HydrophobicContact CD1-CB 4.42Å; I171-K175 HydrophobicContact CD1-CG 4.27Å; G172-K175 PolarHBondContact O-N 2.86Å; K175-T177 VanDerWaalsContact C-N 3.34Å; K175-T177 PolarHBondContact O-N 3.4Å; K175-K178 PolarHBondContact O-N 3.5Å; K175-I179 HydrophobicContact CG-CD1 4.06Å; K175-I179 WeakPolarHBondContact O-CG1 3.33Å; K175-I179 PolarHBondContact O-N 3.44Å
176G97.7Very high97.1Very high0 Ų039.5 Ų39.50%020%0.202CC..Hα-helixtrans-59.2-43.3177.900000113.1G172 N173 I179 L180G172-G176 PolarHBondContact O-N 3.48Å; G172-G176 VanDerWaalsContact O-N 3.07Å; N173-G176 PolarHBondContact O-N 3.47Å; G176-I179 PolarHBondContact O-N 3.33Å; G176-L180 VanDerWaalsContact O-CB 3.31Å; G176-L180 WeakPolarHBondContact O-CB 3.4Å; G176-L180 PolarHBondContact O-N 3.31Å
177T97.6Very high96.8Very high42 Ų4240.7 Ų40.726%0.25821%0.208SC..Hα-helixtrans-66.8-41.3178.2-53.80000111.9N173 K175 I179 L180 Q181N173-T177 VanDerWaalsContact O-CB 3.3Å; N173-T177 WeakPolarHBondContact O-CB 3.35Å; N173-T177 PolarHBondContact O-N 2.82Å; N173-T177 PolarHBondContact O-OG1 2.92Å; K175-T177 VanDerWaalsContact C-N 3.34Å; K175-T177 PolarHBondContact O-N 3.4Å; T177-I179 VanDerWaalsContact C-N 3.34Å; T177-I179 PolarHBondContact O-N 2.91Å; T177-L180 PolarHBondContact O-N 3.16Å; T177-Q181 HydrophobicContact CG2-CG 4.35Å; T177-Q181 WeakPolarHBondContact O-CB 3.05Å; T177-Q181 VanDerWaalsContact O-CG 3.29Å; T177-Q181 WeakPolarHBondContact O-CG 3.33Å; T177-Q181 PolarHBondContact O-N 3.4Å
178K97.1Very high96.6Very high99 Ų9944.2 Ų44.243%0.4323%0.225SC..Hα-helixtrans-59.2-44.6174.8178.7-173.2174.6-170.30111.5E64 L174 K175 S182E64-K178 IonicContact OE2-NZ 3.93Å; E64-K178 PolarHBondContact OE2-NZ 2.94Å; L174-K178 WeakPolarHBondContact O-CB 3.07Å; L174-K178 PolarHBondContact O-N 3.5Å; K175-K178 PolarHBondContact O-N 3.5Å; K178-S182 PolarHBondContact O-N 2.93Å; K178-S182 PolarHBondContact O-OG 3.21Å
179I97.6Very high96.6Very high0 Ų044.3 Ų44.30%023%0.225CC..Hα-helixtrans-63.8-52.1176.6-70.4171.3000110.1V49 W51 L84 L119 I171 K175 G176 T177 Q181 S182 I183 V189 M191V49-I179 HydrophobicContact CG1-CD1 4.29Å; V49-I179 HydrophobicContact CG1-CG1 4.45Å; W51-I179 HydrophobicContact CZ2-CG1 4.25Å; L84-I179 HydrophobicContact CD1-CD1 4.28Å; L84-I179 HydrophobicContact CD1-CG2 3.69Å; L119-I179 HydrophobicContact CD2-CB 4.39Å; L119-I179 HydrophobicContact CD2-CG2 3.59Å; I171-I179 HydrophobicContact CD1-CD1 4.22Å; K175-I179 HydrophobicContact CG-CD1 4.06Å; K175-I179 WeakPolarHBondContact O-CG1 3.33Å; K175-I179 PolarHBondContact O-N 3.44Å; G176-I179 PolarHBondContact O-N 3.33Å; T177-I179 VanDerWaalsContact C-N 3.34Å; T177-I179 PolarHBondContact O-N 2.91Å; I179-Q181 VanDerWaalsContact C-N 3.35Å; I179-Q181 PolarHBondContact O-N 3.01Å; I179-S182 WeakPolarHBondContact O-CA 3.2Å; I179-S182 VanDerWaalsContact O-CB 3.32Å; I179-S182 WeakPolarHBondContact O-CB 3.38Å; I179-S182 PolarHBondContact O-N 2.91Å; I179-I183 HydrophobicContact CG2-CD1 3.84Å; I179-I183 WeakPolarHBondContact O-CG1 3.16Å; I179-I183 PolarHBondContact O-N 3.27Å; I179-V189 HydrophobicContact CG2-CG1 4.33Å; I179-M191 HydrophobicContact CD1-CE 3.85Å
180L97.4Very high96.5Very high11 Ų1146.2 Ų46.26%0.05824%0.237CC..Hα-helixtrans-56.7-46.7-178.6178.563.9000112P86 L93 L119 F146 G176 T177 S182 I183 Q184P86-L180 HydrophobicContact CB-CD1 3.58Å; P86-L180 HydrophobicContact CG-CD1 3.86Å; L93-L180 HydrophobicContact CD1-CD2 3.77Å; L93-L180 HydrophobicContact CD2-CD1 3.89Å; L93-L180 HydrophobicContact CD2-CD2 3.72Å; L93-L180 HydrophobicContact CD2-CG 4.46Å; L93-L180 HydrophobicContact CG-CD2 4.4Å; L119-L180 HydrophobicContact CD2-CB 4.17Å; L119-L180 HydrophobicContact CD2-CD1 4.45Å; F146-L180 HydrophobicContact CZ-CD2 4.03Å; G176-L180 VanDerWaalsContact O-CB 3.31Å; G176-L180 WeakPolarHBondContact O-CB 3.4Å; G176-L180 PolarHBondContact O-N 3.31Å; T177-L180 PolarHBondContact O-N 3.16Å; L180-S182 VanDerWaalsContact C-N 3.27Å; L180-S182 PolarHBondContact O-N 3.45Å; L180-I183 PolarHBondContact O-N 3.42Å; L180-Q184 HydrophobicContact CD1-CG 4.4Å; L180-Q184 WeakPolarHBondContact O-CG 3.18Å; L180-Q184 PolarHBondContact O-N 2.92Å
181Q96.8Very high96.5Very high96 Ų9646.2 Ų46.245%0.44924%0.237SC..Hα-helixtrans-62.6-33.4176.9-73.9179.10.100112.6T177 I179 R185T177-Q181 HydrophobicContact CG2-CG 4.35Å; T177-Q181 WeakPolarHBondContact O-CB 3.05Å; T177-Q181 VanDerWaalsContact O-CG 3.29Å; T177-Q181 WeakPolarHBondContact O-CG 3.33Å; T177-Q181 PolarHBondContact O-N 3.4Å; I179-Q181 VanDerWaalsContact C-N 3.35Å; I179-Q181 PolarHBondContact O-N 3.01Å; Q181-R185 VanDerWaalsContact O-CG 3.29Å; Q181-R185 WeakPolarHBondContact O-CG 3.26Å; Q181-R185 PolarHBondContact O-N 3.41Å
182S95.9Very high96.5Very high19 Ų1948.6 Ų48.613%0.13325%0.251CS..Hα-helixtrans-66.6-46.1175.8-56.20000110.6W51 K178 I179 L180 Q184 R185 I187W51-S182 PolarHBondContact NE1-OG 3.48Å; K178-S182 PolarHBondContact O-N 2.93Å; K178-S182 PolarHBondContact O-OG 3.21Å; I179-S182 WeakPolarHBondContact O-CA 3.2Å; I179-S182 VanDerWaalsContact O-CB 3.32Å; I179-S182 WeakPolarHBondContact O-CB 3.38Å; I179-S182 PolarHBondContact O-N 2.91Å; L180-S182 VanDerWaalsContact C-N 3.27Å; L180-S182 PolarHBondContact O-N 3.45Å; S182-Q184 PolarHBondContact O-N 3.42Å; S182-R185 PolarHBondContact O-N 2.98Å; S182-R185 VanDerWaalsContact O-N 3.14Å; S182-I187 VanDerWaalsContact O-CB 3.3Å; S182-I187 WeakPolarHBondContact O-CB 3.48Å; S182-I187 PolarHBondContact O-N 2.81Å
183I95.9Very high96.5Very high35 Ų3548.4 Ų48.418%0.17925%0.249CC..Hα-helixtrans-62.1-45.1178.3-62.2166.3000110.8L84 P86 L119 I179 L180 R185 G186 I187 V189L84-I183 HydrophobicContact CB-CD1 3.86Å; L84-I183 WeakPolarHBondContact O-CD1 3.42Å; P86-I183 HydrophobicContact CG-CG2 4.04Å; L119-I183 HydrophobicContact CD2-CD1 3.95Å; I179-I183 HydrophobicContact CG2-CD1 3.84Å; I179-I183 WeakPolarHBondContact O-CG1 3.16Å; I179-I183 PolarHBondContact O-N 3.27Å; L180-I183 PolarHBondContact O-N 3.42Å; I183-R185 PolarHBondContact O-N 2.98Å; I183-G186 PolarHBondContact O-N 3.22Å; I183-I187 WeakPolarHBondContact CA-O 3.45Å; I183-V189 HydrophobicContact CG1-CB 4.19Å; I183-V189 HydrophobicContact CG1-CG2 3.76Å
184Q94.6Very high96.5Very high129 Ų12952.9 Ų52.960%0.60327%0.27SS*.Hα-helixtrans-62.4-24.6177.2-72.4174.3-1700113.3L180 S182 G186L180-Q184 HydrophobicContact CD1-CG 4.4Å; L180-Q184 WeakPolarHBondContact O-CG 3.18Å; L180-Q184 PolarHBondContact O-N 2.92Å; S182-Q184 PolarHBondContact O-N 3.42Å; Q184-G186 VanDerWaalsContact C-N 3.26Å; Q184-G186 PolarHBondContact O-N 2.96Å
185R94.1Very high96.5Very high199 Ų19950.7 Ų50.775%0.75126%0.26SS*.THydrogen-bonded Turntrans-84.97.6173.1-71.2176.4-178.1-179.32.3113.5Q181 S182 I183Q181-R185 VanDerWaalsContact O-CG 3.29Å; Q181-R185 WeakPolarHBondContact O-CG 3.26Å; Q181-R185 PolarHBondContact O-N 3.41Å; S182-R185 PolarHBondContact O-N 2.98Å; S182-R185 VanDerWaalsContact O-N 3.14Å; I183-R185 PolarHBondContact O-N 2.98Å
186G92.3Very high96.4Very high64 Ų6450.7 Ų50.766%0.6626%0.263SS*.THydrogen-bonded Turntrans80.113.8-179.400000114.4I183 Q184I183-G186 PolarHBondContact O-N 3.22Å; Q184-G186 VanDerWaalsContact C-N 3.26Å; Q184-G186 PolarHBondContact O-N 2.96Å
187I93.2Very high96.1Very high38 Ų3856 Ų5620%0.19529%0.286CS..  trans-87.9117.7175.3-57.9172.3000108.2W51 S182 I183 V189W51-I187 HydrophobicContact CB-CG2 4.08Å; S182-I187 VanDerWaalsContact O-CB 3.3Å; S182-I187 WeakPolarHBondContact O-CB 3.48Å; S182-I187 PolarHBondContact O-N 2.81Å; I183-I187 WeakPolarHBondContact CA-O 3.45Å; I187-V189 PolarHBondContact O-N 3.14Å
188Q93.8Very high95.7Very high75 Ų7560.2 Ų60.235%0.3530%0.301SS..EExtended strand (participates in β ladder)trans-69.1127.4173.4-174.1-178.2-10.300109.7R52 V83R52-Q188 HydrophobicContact CB-CB 4.24Å; R52-Q188 PolarHBondContact N-O 2.94Å; V83-Q188 HydrophobicContact CG1-CG 3.94Å
189V97.3Very high95Very high1 Ų159.2 Ų59.21%0.00630%0.297CS..EExtended strand (participates in β ladder)trans-117.1128.9178-1690000109.3V49 S50 W51 L84 I179 I183 I187V49-V189 HydrophobicContact CG1-CG1 3.51Å; S50-V189 CarbonylContact O-C 3.46Å; S50-V189 VanDerWaalsContact O-CA 3.3Å; S50-V189 WeakPolarHBondContact O-CA 3.3Å; S50-V189 WeakPolarHBondContact O-CG1 3.29Å; W51-V189 HydrophobicContact CG-CG2 4.34Å; L84-V189 HydrophobicContact CD1-CB 4.4Å; L84-V189 HydrophobicContact CD1-CG1 3.92Å; L84-V189 PolarHBondContact N-O 3.42Å; I179-V189 HydrophobicContact CG2-CG1 4.33Å; I183-V189 HydrophobicContact CG1-CB 4.19Å; I183-V189 HydrophobicContact CG1-CG2 3.76Å; I187-V189 PolarHBondContact O-N 3.14Å
190T97.4Very high93.6Very high41 Ų4160.7 Ų60.725%0.25231%0.313SS..EExtended strand (participates in β ladder)trans-115.7140.8175.3-56.50000108.8S50 G82S50-T190 PolarHBondContact N-O 3.49Å; S50-T190 PolarHBondContact O-N 3.21Å; S50-T190 WeakPolarHBondContact OG-CB 3.25Å; S50-T190 PolarHBondContact OG-O 3.49Å; G82-T190 WeakPolarHBondContact O-CA 3.46Å; G82-T190 WeakPolarHBondContact O-CG2 3.3Å
191M98.2Very high92.1Very high0 Ų062.7 Ų62.70%033%0.326CS..EExtended strand (participates in β ladder)trans-126.3136.2177.4176.1-176.8-77.500110.1L47 N48 V49 S81 G82 L84 L117 V144 I169 I179 I193L47-M191 HydrophobicContact CD1-CE 4.23Å; L47-M191 HydrophobicContact CD2-SD 4.3Å; N48-M191 WeakPolarHBondContact O-CA 3.43Å; V49-M191 HydrophobicContact CG2-CE 3.58Å; V49-M191 HydrophobicContact CG2-CG 4.26Å; S81-M191 VanDerWaalsContact CA-O 3.27Å; S81-M191 WeakPolarHBondContact CA-O 3.48Å; G82-M191 PolarHBondContact N-O 2.85Å; G82-M191 PolarHBondContact O-N 3.16Å; L84-M191 HydrophobicContact CD1-CB 3.78Å; L84-M191 HydrophobicContact CD1-CE 3.95Å; L84-M191 HydrophobicContact CD1-SD 4.45Å; L84-M191 HydrophobicContact CD2-CB 4.48Å; L84-M191 HydrophobicContact CD2-SD 4.41Å; L84-M191 HydrophobicContact CG-CB 4.09Å; L117-M191 HydrophobicContact CD1-CB 4.04Å; L117-M191 HydrophobicContact CD1-CG 4.36Å; V144-M191 HydrophobicContact CG1-CE 4.48Å; V144-M191 HydrophobicContact CG1-SD 4.38Å; V144-M191 HydrophobicContact CG2-SD 3.91Å; I169-M191 HydrophobicContact CD1-SD 4.31Å; I179-M191 HydrophobicContact CD1-CE 3.85Å; M191-I193 HydrophobicContact CG-CG1 3.85Å; M191-I193 HydrophobicContact SD-CD1 4.06Å; M191-I193 HydrophobicContact SD-CG1 3.85Å
192V98.3Very high90.1Very high49 Ų4968 Ų6830%0.29734%0.343SS..EExtended strand (participates in β ladder)trans-107.2129.4164.6-174.60000107.2L47 N48 E194L47-V192 WeakPolarHBondContact CA-O 3.44Å; N48-V192 HydrophobicContact CB-CB 4.19Å; N48-V192 PolarHBondContact N-O 2.99Å; N48-V192 PolarHBondContact O-N 3.01Å; V192-E194 HydrophobicContact CG1-CG 4.32Å
193I98.5Very high88.3Confident0 Ų071.4 Ų71.40%036%0.362CS..EExtended strand (participates in β ladder)trans-113.6122.6178.9-52.4174000106.6A45 Y46 L47 Y71 P79 V80 L117 V144 I169 M191A45-I193 HydrophobicContact CB-CG2 4.12Å; Y46-I193 WeakPolarHBondContact O-CA 3.41Å; L47-I193 HydrophobicContact CD2-CB 4.43Å; L47-I193 HydrophobicContact CD2-CG1 4.09Å; L47-I193 HydrophobicContact CD2-CG2 4.06Å; Y71-I193 HydrophobicContact CE2-CG2 4.34Å; Y71-I193 WeakPolarHBondContact OH-CG2 3.3Å; P79-I193 CarbonylContact C-O 3.52Å; P79-I193 WeakPolarHBondContact CA-O 3.4Å; V80-I193 HydrophobicContact CG1-CB 3.97Å; V80-I193 HydrophobicContact CG1-CD1 3.77Å; V80-I193 HydrophobicContact CG1-CG1 4.19Å; V80-I193 PolarHBondContact N-O 3.38Å; V80-I193 PolarHBondContact O-N 3.2Å; L117-I193 HydrophobicContact CD1-CD1 3.97Å; L117-I193 HydrophobicContact CD1-CG1 4.38Å; V144-I193 HydrophobicContact CG2-CD1 3.96Å; I169-I193 HydrophobicContact CD1-CD1 3.53Å; I169-I193 HydrophobicContact CD1-CG1 3.99Å; I169-I193 HydrophobicContact CD1-CG2 4.11Å; I169-I193 HydrophobicContact CG1-CD1 3.92Å; I169-I193 HydrophobicContact CG2-CG2 3.9Å; M191-I193 HydrophobicContact CG-CG1 3.85Å; M191-I193 HydrophobicContact SD-CD1 4.06Å; M191-I193 HydrophobicContact SD-CG1 3.85Å
194E98.1Very high86.8Confident109 Ų10974.6 Ų74.651%0.50938%0.38SS..EExtended strand (participates in β ladder)trans-118.9156.7173.5-66.3179.8175.900110.3Y46 Y71 P79 V192 G196Y46-E194 PolarHBondContact N-O 3.05Å; Y46-E194 PolarHBondContact O-N 3.49Å; Y71-E194 PolarHBondContact OH-O 2.89Å; Y71-E194 VanDerWaalsContact OH-O 3.12Å; P79-E194 HydrophobicContact CB-CG 4.36Å; V192-E194 HydrophobicContact CG1-CG 4.32Å; E194-G196 PolarHBondContact O-N 3.36Å
195V97.5Very high85.7Confident47 Ų4774.3 Ų74.329%0.28538%0.378SS..EExtended strand (participates in β ladder)trans-69.7122.7179.3-177.40000109.1W43 Y71 L77W43-V195 HydrophobicContact CE3-CG1 3.76Å; W43-V195 HydrophobicContact CZ3-CG1 4.06Å; Y71-V195 PolarHBondContact OH-N 3.14Å; L77-V195 VanDerWaalsContact C-CG2 3.48Å; L77-V195 HydrophobicContact CB-CG2 4.32Å; L77-V195 WeakPolarHBondContact O-CG2 3.37Å
196G95Very high84.9Confident10 Ų1074.2 Ų74.210%0.10338%0.379CS..EExtended strand (participates in β ladder)trans-89.3-151.717800000113.3T44 E194T44-G196 WeakPolarHBondContact O-CA 3.18Å; T44-G196 PolarHBondContact O-N 3.45Å; E194-G196 PolarHBondContact O-N 3.36Å
197K92.3Very high84.2Confident113 Ų11374.4 Ų74.449%0.49137%0.37SS..EExtended strand (participates in β ladder)trans-86.8141.1-178.2-64.3177.5-172.1131.30111.5T44 Y46 E67 H199T44-K197 PolarHBondContact N-O 3.44Å; T44-K197 PolarHBondContact OG1-N 3.02Å; T44-K197 PolarHBondContact OG1-O 2.74Å; Y46-K197 VanDerWaalsContact OH-CE 3.27Å; Y46-K197 WeakPolarHBondContact OH-CE 3.23Å; Y46-K197 PolarHBondContact OH-NZ 3.32Å; E67-K197 IonicContact OE1-NZ 2.82Å; E67-K197 IonicContact OE2-NZ 3.06Å; E67-K197 PolarHBondContact OE2-NZ 3.5Å; K197-H199 PolarHBondContact O-N 3.44Å; K197-H199 PolarHBondContact O-ND1 3.3Å; K197-H199 VanDerWaalsContact O-ND1 3.16Å
198K89.1Confident83.6Confident129 Ų12977 Ų7756%0.56138%0.383SS*.EExtended strand (participates in β ladder)trans-72.7114.7169-168.7178.9-172.9174.40110.3A41 W43A41-K198 HydrophobicContact CB-CD 4.14Å; A41-K198 HydrophobicContact CB-CG 3.85Å; W43-K198 HydrophobicContact CD2-CB 3.94Å; W43-K198 HydrophobicContact CD2-CG 4.2Å; W43-K198 HydrophobicContact CE3-CB 3.88Å; W43-K198 HydrophobicContact CH2-CB 3.88Å; W43-K198 HydrophobicContact CH2-CD 4.21Å; W43-K198 HydrophobicContact CH2-CG 4.41Å; W43-K198 HydrophobicContact CZ2-CB 3.93Å; W43-K198 HydrophobicContact CZ2-CD 3.66Å; W43-K198 HydrophobicContact CZ2-CG 3.96Å; W43-K198 HydrophobicContact CZ3-CB 3.85Å
199H81.4Confident83.2Confident79 Ų7978.5 Ų78.537%0.36639%0.389SS..EExtended strand (participates in β ladder)trans-100.4104.3169.4-70.875.2000108.3A41 V42 T44 K197A41-H199 CarbonylContact C-O 3.6Å; A41-H199 WeakPolarHBondContact CA-O 3.45Å; V42-H199 PolarHBondContact N-O 3.17Å; V42-H199 PolarHBondContact O-N 3.38Å; T44-H199 WeakPolarHBondContact CG2-ND1 3.48Å; K197-H199 PolarHBondContact O-N 3.44Å; K197-H199 PolarHBondContact O-ND1 3.3Å; K197-H199 VanDerWaalsContact O-ND1 3.16Å
200G68.6Low82.5Confident31 Ų3185.4 Ų85.432%0.3242%0.419SS..  trans-73.9168.8-179.100000113.2W202G200-W202 VanDerWaalsContact O-CD1 3.25Å; G200-W202 PolarHBondContact O-N 2.97Å
201P65.4Low82Confident53 Ų5388 Ų8834%0.34444%0.435SS..  trans-59.2112.1154.328.8-35.5000108.5A39 V203A39-P201 HydrophobicContact CB-CB 3.64Å; A39-P201 WeakPolarHBondContact O-CB 3.41Å; A39-P201 VanDerWaalsContact O-CD 3.27Å; A39-P201 WeakPolarHBondContact O-CD 3.37Å; A39-P201 WeakPolarHBondContact O-CG 3.27Å; P201-V203 HydrophobicContact CB-CG2 4.29Å; P201-V203 PolarHBondContact O-N 2.92Å
202W54.9Low81.6Confident208 Ų20890.2 Ų90.279%0.78845%0.45SS*.  trans-73.649169.6-53.386.4000110.4G200 N204G200-W202 VanDerWaalsContact O-CD1 3.25Å; G200-W202 PolarHBondContact O-N 2.97Å; W202-N204 PolarHBondContact O-N 3.29Å; W202-N204 VanDerWaalsContact O-N 3.09Å
203V58.4Low81.3Confident90 Ų9091.5 Ų91.555%0.54546%0.458SS..  trans-78.490.1159.8-66.10000105.7P201 H205 I208P201-V203 HydrophobicContact CB-CG2 4.29Å; P201-V203 PolarHBondContact O-N 2.92Å; V203-H205 PolarHBondContact O-N 3.1Å; V203-I208 HydrophobicContact CB-CD1 3.96Å; V203-I208 HydrophobicContact CB-CG1 4.39Å; V203-I208 HydrophobicContact CG2-CD1 3.92Å
204N64.8Low81.1Confident102 Ų10293.3 Ų93.355%0.54547%0.471SS..  trans-50.6122.8170.4-80.2-33.3000106.8W202 Y206 S207 I208W202-N204 PolarHBondContact O-N 3.29Å; W202-N204 VanDerWaalsContact O-N 3.09Å; N204-Y206 PolarHBondContact O-N 3.26Å; N204-S207 WeakPolarHBondContact O-CA 3.39Å; N204-S207 VanDerWaalsContact O-CB 3.29Å; N204-S207 WeakPolarHBondContact O-CB 3.15Å; N204-S207 PolarHBondContact O-N 3.47Å; N204-I208 PolarHBondContact O-N 3.39Å
205H70.5Confident80.9Confident123 Ų12394.5 Ų94.557%0.56947%0.474SS*.Hα-helixtrans-48.5-38.9176.7-175.9-101.6000110V203 S207 I208 F209V203-H205 PolarHBondContact O-N 3.1Å; H205-S207 VanDerWaalsContact C-N 3.32Å; H205-S207 PolarHBondContact O-N 3.47Å; H205-I208 PolarHBondContact O-N 2.76Å; H205-F209 AromaticContact CD2-CE2 3.52Å; H205-F209 AromaticContact CE1-CD2 3.62Å; H205-F209 AromaticContact CE1-CE2 2.93Å; H205-F209 WeakPolarHBondContact CE1-CE2 3.38Å; H205-F209 AromaticContact CE1-CZ 3.19Å; H205-F209 WeakPolarHBondContact CE1-CZ 3.26Å; H205-F209 AromaticContact CG-CD2 3.93Å; H205-F209 AromaticContact CG-CE2 3.75Å; H205-F209 AromaticContact ND1-CD2 3.6Å; H205-F209 AromaticContact ND1-CE2 3.4Å; H205-F209 WeakPolarHBondContact ND1-CE2 3.35Å; H205-F209 AromaticContact NE2-CD2 3.94Å; H205-F209 AromaticContact NE2-CE2 3Å; H205-F209 WeakPolarHBondContact NE2-CE2 3.44Å; H205-F209 AromaticContact NE2-CZ 3.44Å; H205-F209 WeakPolarHBondContact NE2-CZ 3.48Å; H205-F209 WeakPolarHBondContact O-CD2 3.21Å; H205-F209 PolarHBondContact O-N 3.43Å
206Y78.1Confident80.8Confident196 Ų19698.9 Ų98.977%0.76949%0.49SS*.Hα-helixtrans-55.8-35.9172.1-60.2-72.8000115.5N204 F210N204-Y206 PolarHBondContact O-N 3.26Å; Y206-F210 VanDerWaalsContact O-CB 3.25Å; Y206-F210 WeakPolarHBondContact O-CB 3.22Å; Y206-F210 PolarHBondContact O-N 2.62Å
207S78.1Confident80.8Confident68 Ų68103.6 Ų103.648%0.47651%0.511SS..Hα-helixtrans-69.2-45178179.30000111.8N204 H205 F209 F210 V211N204-S207 WeakPolarHBondContact O-CA 3.39Å; N204-S207 VanDerWaalsContact O-CB 3.29Å; N204-S207 WeakPolarHBondContact O-CB 3.15Å; N204-S207 PolarHBondContact O-N 3.47Å; H205-S207 VanDerWaalsContact C-N 3.32Å; H205-S207 PolarHBondContact O-N 3.47Å; S207-F209 VanDerWaalsContact C-N 3.32Å; S207-F209 PolarHBondContact O-N 3.12Å; S207-F210 PolarHBondContact O-N 2.95Å; S207-V211 WeakPolarHBondContact O-CG2 3.5Å; S207-V211 PolarHBondContact O-N 3.4Å
208I80.8Confident81Confident93 Ų93103.4 Ų103.448%0.47752%0.515SS..Hα-helixtrans-62.6-43.8176-63.6173.9000110.1V203 N204 H205 F210 V211 S212V203-I208 HydrophobicContact CB-CD1 3.96Å; V203-I208 HydrophobicContact CB-CG1 4.39Å; V203-I208 HydrophobicContact CG2-CD1 3.92Å; N204-I208 PolarHBondContact O-N 3.39Å; H205-I208 PolarHBondContact O-N 2.76Å; I208-F210 PolarHBondContact O-N 3.06Å; I208-V211 PolarHBondContact O-N 2.91Å; I208-S212 WeakPolarHBondContact O-CB 3.36Å; I208-S212 PolarHBondContact O-N 2.79Å; I208-S212 PolarHBondContact O-OG 3.07Å
209F84.2Confident81.3Confident107 Ų10799.5 Ų99.547%0.46950%0.502SS..Hα-helixtrans-62-45177.2-84.2-107.4000111.3H205 S207 V211 S212 V213H205-F209 AromaticContact CD2-CE2 3.52Å; H205-F209 AromaticContact CE1-CD2 3.62Å; H205-F209 AromaticContact CE1-CE2 2.93Å; H205-F209 WeakPolarHBondContact CE1-CE2 3.38Å; H205-F209 AromaticContact CE1-CZ 3.19Å; H205-F209 WeakPolarHBondContact CE1-CZ 3.26Å; H205-F209 AromaticContact CG-CD2 3.93Å; H205-F209 AromaticContact CG-CE2 3.75Å; H205-F209 AromaticContact ND1-CD2 3.6Å; H205-F209 AromaticContact ND1-CE2 3.4Å; H205-F209 WeakPolarHBondContact ND1-CE2 3.35Å; H205-F209 AromaticContact NE2-CD2 3.94Å; H205-F209 AromaticContact NE2-CE2 3Å; H205-F209 WeakPolarHBondContact NE2-CE2 3.44Å; H205-F209 AromaticContact NE2-CZ 3.44Å; H205-F209 WeakPolarHBondContact NE2-CZ 3.48Å; H205-F209 WeakPolarHBondContact O-CD2 3.21Å; H205-F209 PolarHBondContact O-N 3.43Å; S207-F209 VanDerWaalsContact C-N 3.32Å; S207-F209 PolarHBondContact O-N 3.12Å; F209-V211 PolarHBondContact O-N 2.05Å; F209-S212 PolarHBondContact O-N 3.37Å; F209-S212 PolarHBondContact O-OG 3.47Å; F209-V213 WeakPolarHBondContact O-CB 3.39Å; F209-V213 VanDerWaalsContact O-CG2 3.26Å; F209-V213 WeakPolarHBondContact O-CG2 3.48Å; F209-V213 PolarHBondContact O-N 2.82Å
210F83.1Confident82Confident146 Ų14698.8 Ų98.864%0.6451%0.51SS*.Hα-helixtrans-61.7-43.1179.3-173.1-95.3000112.8Y206 S207 I208 S214Y206-F210 VanDerWaalsContact O-CB 3.25Å; Y206-F210 WeakPolarHBondContact O-CB 3.22Å; Y206-F210 PolarHBondContact O-N 2.62Å; S207-F210 PolarHBondContact O-N 2.95Å; I208-F210 PolarHBondContact O-N 3.06Å; F210-S214 WeakPolarHBondContact O-CB 3.26Å; F210-S214 PolarHBondContact O-N 2.97Å; F210-S214 PolarHBondContact O-OG 2.8Å
211V87.1Confident83.4Confident96 Ų96100.4 Ų100.458%0.58252%0.52SS*.Hα-helixtrans-65.3-44.8177174.10000110.8S207 I208 F209 S214 F215S207-V211 WeakPolarHBondContact O-CG2 3.5Å; S207-V211 PolarHBondContact O-N 3.4Å; I208-V211 PolarHBondContact O-N 2.91Å; F209-V211 PolarHBondContact O-N 2.05Å; V211-S214 PolarHBondContact O-N 3.1Å; V211-F215 PolarHBondContact O-N 2.73Å; V211-F215 VanDerWaalsContact O-N 3.1Å
212S89.5Confident84.8Confident45 Ų45101.7 Ų101.732%0.31553%0.527SS..Hα-helixtrans-64.6-45.7-179.670.60000112.5I208 F209 S214 F215 F216I208-S212 WeakPolarHBondContact O-CB 3.36Å; I208-S212 PolarHBondContact O-N 2.79Å; I208-S212 PolarHBondContact O-OG 3.07Å; F209-S212 PolarHBondContact O-N 3.37Å; F209-S212 PolarHBondContact O-OG 3.47Å; S212-S214 PolarHBondContact O-N 3Å; S212-F215 WeakPolarHBondContact O-CB 3.27Å; S212-F215 PolarHBondContact O-N 3.42Å; S212-F216 WeakPolarHBondContact O-CD2 2.92Å; S212-F216 PolarHBondContact O-N 3.46Å; S212-F216 VanDerWaalsContact O-N 3.14Å
213V93.1Very high86.8Confident76 Ų7695.7 Ų95.746%0.46151%0.513SS..Hα-helixtrans-63.4-43178.7171.90000111.1F209 F215 F216 I217F209-V213 WeakPolarHBondContact O-CB 3.39Å; F209-V213 VanDerWaalsContact O-CG2 3.26Å; F209-V213 WeakPolarHBondContact O-CG2 3.48Å; F209-V213 PolarHBondContact O-N 2.82Å; V213-F215 VanDerWaalsContact C-N 3.3Å; V213-F215 PolarHBondContact O-N 2.9Å; V213-F216 PolarHBondContact O-N 3.42Å; V213-I217 HydrophobicContact CG1-CD1 3.83Å; V213-I217 HydrophobicContact CG1-CG1 4.45Å; V213-I217 WeakPolarHBondContact O-CG1 3.18Å; V213-I217 PolarHBondContact O-N 3.49Å
214S92.8Very high88.7Confident38 Ų3893.3 Ų93.327%0.26651%0.506SS..Hα-helixtrans-60.6-40.7177.5-59.90000111.8F210 V211 S212 I217 I218F210-S214 WeakPolarHBondContact O-CB 3.26Å; F210-S214 PolarHBondContact O-N 2.97Å; F210-S214 PolarHBondContact O-OG 2.8Å; V211-S214 PolarHBondContact O-N 3.1Å; S212-S214 PolarHBondContact O-N 3Å; S214-I217 PolarHBondContact O-N 3.41Å; S214-I218 VanDerWaalsContact O-CG1 3.28Å; S214-I218 WeakPolarHBondContact O-CG1 3.04Å; S214-I218 PolarHBondContact O-N 3.36Å
215F94.5Very high90.2Very high135 Ų13596.2 Ų96.259%0.59251%0.511SS*.Hα-helixtrans-62-43.6175.8179.8-100000112.3V211 S212 V213 I217 I218 T219V211-F215 PolarHBondContact O-N 2.73Å; V211-F215 VanDerWaalsContact O-N 3.1Å; S212-F215 WeakPolarHBondContact O-CB 3.27Å; S212-F215 PolarHBondContact O-N 3.42Å; V213-F215 VanDerWaalsContact C-N 3.3Å; V213-F215 PolarHBondContact O-N 2.9Å; F215-I217 PolarHBondContact O-N 2.66Å; F215-I218 PolarHBondContact O-N 3.37Å; F215-T219 HydrophobicContact CD1-CG2 4.38Å; F215-T219 HydrophobicContact CD2-CG2 4.43Å; F215-T219 HydrophobicContact CE1-CG2 4.03Å; F215-T219 HydrophobicContact CE2-CG2 4.09Å; F215-T219 HydrophobicContact CZ-CG2 3.87Å; F215-T219 WeakPolarHBondContact O-CB 3Å; F215-T219 VanDerWaalsContact O-CG2 3.28Å; F215-T219 WeakPolarHBondContact O-CG2 2.93Å; F215-T219 PolarHBondContact O-N 3.04Å; F215-T219 PolarHBondContact O-OG1 3.33Å
216F95.1Very high91.4Very high139 Ų13996.4 Ų96.461%0.6151%0.51SS*.Hα-helixtrans-65.2-38176.8-73.7-65.2000113.1S212 V213 T219 A220S212-F216 WeakPolarHBondContact O-CD2 2.92Å; S212-F216 PolarHBondContact O-N 3.46Å; S212-F216 VanDerWaalsContact O-N 3.14Å; V213-F216 PolarHBondContact O-N 3.42Å; F216-T219 VanDerWaalsContact CA-OG1 3.31Å; F216-T219 WeakPolarHBondContact CA-OG1 3.4Å; F216-T219 PolarHBondContact O-OG1 2.84Å; F216-A220 WeakPolarHBondContact O-CB 3.09Å; F216-A220 PolarHBondContact O-N 3.03Å
217I96Very high92.3Very high108 Ų10892 Ų9255%0.55450%0.499SS*.Hα-helixtrans-66.8-46178.4-67.3170.2000110.8V213 S214 F215 T219 A220 A221V213-I217 HydrophobicContact CG1-CD1 3.83Å; V213-I217 HydrophobicContact CG1-CG1 4.45Å; V213-I217 WeakPolarHBondContact O-CG1 3.18Å; V213-I217 PolarHBondContact O-N 3.49Å; S214-I217 PolarHBondContact O-N 3.41Å; F215-I217 PolarHBondContact O-N 2.66Å; I217-T219 PolarHBondContact O-N 3.27Å; I217-A220 PolarHBondContact O-N 3.01Å; I217-A221 WeakPolarHBondContact O-CB 3.44Å; I217-A221 PolarHBondContact O-N 3.44Å
218I95.4Very high93.2Very high109 Ų10994.1 Ų94.156%0.55950%0.5SS*.Hα-helixtrans-65.3-41.5-179.7-65.9166.7000110.7S214 F215 A221 T222S214-I218 VanDerWaalsContact O-CG1 3.28Å; S214-I218 WeakPolarHBondContact O-CG1 3.04Å; S214-I218 PolarHBondContact O-N 3.36Å; F215-I218 PolarHBondContact O-N 3.37Å; I218-A221 PolarHBondContact O-N 3.3Å; I218-T222 HydrophobicContact CG2-CG2 4.39Å; I218-T222 WeakPolarHBondContact O-CB 3.19Å; I218-T222 VanDerWaalsContact O-CG2 3.29Å; I218-T222 WeakPolarHBondContact O-CG2 3.25Å; I218-T222 PolarHBondContact O-N 2.89Å; I218-T222 PolarHBondContact O-OG1 3.46Å
219T95Very high93.9Very high47 Ų4795.4 Ų95.429%0.28850%0.499SS..Hα-helixtrans-65.5-42.2177.1500000111.9F215 F216 I217 A221 T222 V223F215-T219 HydrophobicContact CD1-CG2 4.38Å; F215-T219 HydrophobicContact CD2-CG2 4.43Å; F215-T219 HydrophobicContact CE1-CG2 4.03Å; F215-T219 HydrophobicContact CE2-CG2 4.09Å; F215-T219 HydrophobicContact CZ-CG2 3.87Å; F215-T219 WeakPolarHBondContact O-CB 3Å; F215-T219 VanDerWaalsContact O-CG2 3.28Å; F215-T219 WeakPolarHBondContact O-CG2 2.93Å; F215-T219 PolarHBondContact O-N 3.04Å; F215-T219 PolarHBondContact O-OG1 3.33Å; F216-T219 VanDerWaalsContact CA-OG1 3.31Å; F216-T219 WeakPolarHBondContact CA-OG1 3.4Å; F216-T219 PolarHBondContact O-OG1 2.84Å; I217-T219 PolarHBondContact O-N 3.27Å; T219-A221 PolarHBondContact O-N 2.84Å; T219-T222 WeakPolarHBondContact CA-OG1 3.39Å; T219-T222 PolarHBondContact O-N 3.44Å; T219-T222 PolarHBondContact O-OG1 3.49Å; T219-V223 WeakPolarHBondContact O-CB 3.17Å; T219-V223 VanDerWaalsContact O-CG2 3.26Å; T219-V223 WeakPolarHBondContact O-CG2 3.5Å; T219-V223 PolarHBondContact O-N 3.03Å
220A96.9Very high94.4Very high65 Ų6592.7 Ų92.754%0.53749%0.494SS..Hα-helixtrans-61.9-43.9174.800000112.3F216 I217 G224F216-A220 WeakPolarHBondContact O-CB 3.09Å; F216-A220 PolarHBondContact O-N 3.03Å; I217-A220 PolarHBondContact O-N 3.01Å; A220-G224 PolarHBondContact O-N 2.84Å
221A97.3Very high95Very high64 Ų6487.6 Ų87.653%0.52948%0.479SS..Hα-helixtrans-63.8-44178.800000112.4I217 I218 T219 G224 Y225I217-A221 WeakPolarHBondContact O-CB 3.44Å; I217-A221 PolarHBondContact O-N 3.44Å; I218-A221 PolarHBondContact O-N 3.3Å; T219-A221 PolarHBondContact O-N 2.84Å; A221-G224 PolarHBondContact O-N 3.49Å; A221-Y225 WeakPolarHBondContact O-CB 3.3Å; A221-Y225 PolarHBondContact O-N 3.36Å
222T96.5Very high95.3Very high80 Ų8089.7 Ų89.749%0.49148%0.476SS..Hα-helixtrans-67.3-41.1179.250.80000112.3I218 T219 Y225 F226I218-T222 HydrophobicContact CG2-CG2 4.39Å; I218-T222 WeakPolarHBondContact O-CB 3.19Å; I218-T222 VanDerWaalsContact O-CG2 3.29Å; I218-T222 WeakPolarHBondContact O-CG2 3.25Å; I218-T222 PolarHBondContact O-N 2.89Å; I218-T222 PolarHBondContact O-OG1 3.46Å; T219-T222 WeakPolarHBondContact CA-OG1 3.39Å; T219-T222 PolarHBondContact O-N 3.44Å; T219-T222 PolarHBondContact O-OG1 3.49Å; T222-Y225 PolarHBondContact O-N 3.28Å; T222-F226 WeakPolarHBondContact O-CB 3.3Å; T222-F226 PolarHBondContact O-N 3.41Å
223V96.4Very high95.5Very high83 Ų8395.8 Ų95.850%0.50349%0.493SS..Hα-helixtrans-63.8-45.6174171.60000110.8T219 Y225 F226 I227T219-V223 WeakPolarHBondContact O-CB 3.17Å; T219-V223 VanDerWaalsContact O-CG2 3.26Å; T219-V223 WeakPolarHBondContact O-CG2 3.5Å; T219-V223 PolarHBondContact O-N 3.03Å; V223-Y225 PolarHBondContact O-N 2.95Å; V223-F226 PolarHBondContact O-N 3.34Å; V223-I227 HydrophobicContact CG1-CD1 3.78Å; V223-I227 HydrophobicContact CG1-CG1 4.4Å; V223-I227 VanDerWaalsContact O-CG1 3.31Å; V223-I227 WeakPolarHBondContact O-CG1 3.22Å; V223-I227 PolarHBondContact O-N 3.02Å
224G97.1Very high95.5Very high39 Ų3996.2 Ų96.240%0.40249%0.492SS..Hα-helixtrans-58.4-44.9175.900000112.5A220 A221 F226 I227 F228A220-G224 PolarHBondContact O-N 2.84Å; A221-G224 PolarHBondContact O-N 3.49Å; G224-F226 PolarHBondContact O-N 2.74Å; G224-I227 PolarHBondContact O-N 3.45Å; G224-F228 WeakPolarHBondContact O-CB 3.42Å; G224-F228 PolarHBondContact O-N 3.11Å
225Y97.4Very high95.5Very high164 Ų164101.4 Ų101.464%0.64351%0.505SS*.Hα-helixtrans-61.5-43.7175.2-179.2-96.4000112.1A221 T222 V223 F228 Y229A221-Y225 WeakPolarHBondContact O-CB 3.3Å; A221-Y225 PolarHBondContact O-N 3.36Å; T222-Y225 PolarHBondContact O-N 3.28Å; V223-Y225 PolarHBondContact O-N 2.95Å; Y225-F228 PolarHBondContact O-N 3.23Å; Y225-Y229 VanDerWaalsContact O-CB 3.28Å; Y225-Y229 WeakPolarHBondContact O-CB 3.26Å; Y225-Y229 PolarHBondContact O-N 3.41Å
226F96.1Very high95.4Very high127 Ų12799.4 Ų99.456%0.55750%0.501SS*.Hα-helixtrans-65.2-40.7178.5-174.7-97000112.5T222 V223 G224 Y229 S230T222-F226 WeakPolarHBondContact O-CB 3.3Å; T222-F226 PolarHBondContact O-N 3.41Å; V223-F226 PolarHBondContact O-N 3.34Å; G224-F226 PolarHBondContact O-N 2.74Å; F226-Y229 PolarHBondContact O-N 3.48Å; F226-S230 VanDerWaalsContact O-CB 3.31Å; F226-S230 WeakPolarHBondContact O-CB 3.25Å; F226-S230 PolarHBondContact O-N 2.82Å; F226-S230 PolarHBondContact O-OG 3.33Å
227I96.2Very high95.2Very high102 Ų10295.3 Ų95.352%0.52349%0.493SS..Hα-helixtrans-62.6-46.8174.4-67.4167.8000110V223 G224 Y229 S230 A231V223-I227 HydrophobicContact CG1-CD1 3.78Å; V223-I227 HydrophobicContact CG1-CG1 4.4Å; V223-I227 VanDerWaalsContact O-CG1 3.31Å; V223-I227 WeakPolarHBondContact O-CG1 3.22Å; V223-I227 PolarHBondContact O-N 3.02Å; G224-I227 PolarHBondContact O-N 3.45Å; I227-Y229 PolarHBondContact O-N 2.89Å; I227-S230 WeakPolarHBondContact CA-OG 3.42Å; I227-S230 PolarHBondContact O-N 3.31Å; I227-S230 PolarHBondContact O-OG 3.33Å; I227-A231 VanDerWaalsContact O-CB 3.24Å; I227-A231 WeakPolarHBondContact O-CB 3.43Å; I227-A231 PolarHBondContact O-N 3.35Å
228F96.5Very high95Very high114 Ų11497.2 Ų97.250%0.549%0.493SS..Hα-helixtrans-61.5-45.2177.5178.9-100.4000112.1G224 Y225 A231 R232G224-F228 WeakPolarHBondContact O-CB 3.42Å; G224-F228 PolarHBondContact O-N 3.11Å; Y225-F228 PolarHBondContact O-N 3.23Å; F228-A231 PolarHBondContact O-N 2.75Å; F228-R232 VanDerWaalsContact O-CB 3.27Å; F228-R232 WeakPolarHBondContact O-CB 3.38Å; F228-R232 PolarHBondContact O-N 3.12Å
229Y96.2Very high94.8Very high119 Ų11994.4 Ų94.447%0.46749%0.486SS..Hα-helixtrans-62.4-47.9178.5178.8-95.4000111.7Y225 F226 I227 R232 R233Y225-Y229 VanDerWaalsContact O-CB 3.28Å; Y225-Y229 WeakPolarHBondContact O-CB 3.26Å; Y225-Y229 PolarHBondContact O-N 3.41Å; F226-Y229 PolarHBondContact O-N 3.48Å; I227-Y229 PolarHBondContact O-N 2.89Å; Y229-R232 PolarHBondContact O-N 2.92Å; Y229-R233 WeakPolarHBondContact O-CB 3.41Å; Y229-R233 PolarHBondContact O-N 3.25Å
230S94.1Very high94.6Very high50 Ų5099 Ų9935%0.3550%0.504SS..Hα-helixtrans-65.1-41.617960.40000112F226 I227 R233 L234F226-S230 VanDerWaalsContact O-CB 3.31Å; F226-S230 WeakPolarHBondContact O-CB 3.25Å; F226-S230 PolarHBondContact O-N 2.82Å; F226-S230 PolarHBondContact O-OG 3.33Å; I227-S230 WeakPolarHBondContact CA-OG 3.42Å; I227-S230 PolarHBondContact O-N 3.31Å; I227-S230 PolarHBondContact O-OG 3.33Å; S230-R233 PolarHBondContact O-N 2.78Å; S230-L234 WeakPolarHBondContact O-CB 3.28Å; S230-L234 PolarHBondContact O-N 2.8Å
231A95.1Very high94.2Very high40 Ų4098.1 Ų98.133%0.33149%0.494SS..Hα-helixtrans-63.1-44.7174.100000111.8I227 F228 L234 R235I227-A231 VanDerWaalsContact O-CB 3.24Å; I227-A231 WeakPolarHBondContact O-CB 3.43Å; I227-A231 PolarHBondContact O-N 3.35Å; F228-A231 PolarHBondContact O-N 2.75Å; A231-L234 PolarHBondContact O-N 3.49Å; A231-R235 WeakPolarHBondContact O-CB 3.45Å; A231-R235 WeakPolarHBondContact O-CG 3.48Å; A231-R235 PolarHBondContact O-N 2.9Å
232R94.4Very high93.9Very high140 Ų140104.3 Ų104.353%0.52850%0.504SS..Hα-helixtrans-61.2-46.6175.3-175.6175.2-178.3174.4-0.3111.2F228 Y229 L234 R235 N236F228-R232 VanDerWaalsContact O-CB 3.27Å; F228-R232 WeakPolarHBondContact O-CB 3.38Å; F228-R232 PolarHBondContact O-N 3.12Å; Y229-R232 PolarHBondContact O-N 2.92Å; R232-L234 VanDerWaalsContact C-N 3.34Å; R232-L234 PolarHBondContact O-N 3.26Å; R232-R235 PolarHBondContact O-N 3.46Å; R232-N236 WeakPolarHBondContact O-CB 3.36Å; R232-N236 VanDerWaalsContact O-CG 3.31Å; R232-N236 PolarHBondContact O-N 3.13Å; R232-N236 PolarHBondContact O-OD1 2.98Å
233R93.8Very high93.5Very high173 Ų173107.5 Ų107.565%0.65351%0.511SS*.Hα-helixtrans-59.4-44.6177.5-175.1176.9179.2-173.91.3111.5Y229 S230 N236 A237Y229-R233 WeakPolarHBondContact O-CB 3.41Å; Y229-R233 PolarHBondContact O-N 3.25Å; S230-R233 PolarHBondContact O-N 2.78Å; R233-N236 PolarHBondContact O-N 2.83Å; R233-A237 WeakPolarHBondContact O-CB 3.5Å; R233-A237 PolarHBondContact O-N 3Å
234L93.8Very high93.1Very high84 Ų84108.3 Ų108.344%0.4451%0.509SS..Hα-helixtrans-66.5-41.2178.5-176.559000112.2S230 A231 R232 A237 R238S230-L234 WeakPolarHBondContact O-CB 3.28Å; S230-L234 PolarHBondContact O-N 2.8Å; A231-L234 PolarHBondContact O-N 3.49Å; R232-L234 VanDerWaalsContact C-N 3.34Å; R232-L234 PolarHBondContact O-N 3.26Å; L234-A237 PolarHBondContact O-N 2.84Å; L234-R238 HydrophobicContact CD1-CG 4.36Å; L234-R238 WeakPolarHBondContact O-CB 3.27Å; L234-R238 VanDerWaalsContact O-CG 3.25Å; L234-R238 WeakPolarHBondContact O-CG 3.34Å; L234-R238 PolarHBondContact O-N 3.36Å
235R93.1Very high92.7Very high147 Ų147115.2 Ų115.256%0.55552%0.523SS*.Hα-helixtrans-61.4-45.8174.6-74.8-173-63.1-156.11.7111.5A231 R232 R238 A239A231-R235 WeakPolarHBondContact O-CB 3.45Å; A231-R235 WeakPolarHBondContact O-CG 3.48Å; A231-R235 PolarHBondContact O-N 2.9Å; R232-R235 PolarHBondContact O-N 3.46Å; R235-R238 PolarHBondContact O-N 2.8Å; R235-A239 WeakPolarHBondContact O-CB 3.41Å; R235-A239 PolarHBondContact O-N 3.07Å
236N90.6Very high92.4Very high94 Ų94112.5 Ų112.550%0.50352%0.516SS..Hα-helixtrans-64-44.4178.6-71.28.3000111.8R232 R233 R238 A239 Q240R232-N236 WeakPolarHBondContact O-CB 3.36Å; R232-N236 VanDerWaalsContact O-CG 3.31Å; R232-N236 PolarHBondContact O-N 3.13Å; R232-N236 PolarHBondContact O-OD1 2.98Å; R233-N236 PolarHBondContact O-N 2.83Å; N236-R238 PolarHBondContact O-N 3.09Å; N236-A239 PolarHBondContact O-N 3.05Å; N236-Q240 PolarHBondContact O-N 2.73Å
237A91.3Very high92Very high53 Ų53108.8 Ų108.844%0.43850%0.502SS..Hα-helixtrans-62.4-41.3176.300000112.2R233 L234 Q240 S241R233-A237 WeakPolarHBondContact O-CB 3.5Å; R233-A237 PolarHBondContact O-N 3Å; L234-A237 PolarHBondContact O-N 2.84Å; A237-Q240 PolarHBondContact O-N 3.04Å; A237-S241 WeakPolarHBondContact O-CB 2.9Å; A237-S241 PolarHBondContact O-N 3.5Å
238R91.4Very high91.7Very high148 Ų148108.1 Ų108.156%0.55850%0.495SS*.Hα-helixtrans-64.7-40.8174.2-74.3173.6177.8169.4-1111.7L234 R235 N236 S241 R242L234-R238 HydrophobicContact CD1-CG 4.36Å; L234-R238 WeakPolarHBondContact O-CB 3.27Å; L234-R238 VanDerWaalsContact O-CG 3.25Å; L234-R238 WeakPolarHBondContact O-CG 3.34Å; L234-R238 PolarHBondContact O-N 3.36Å; R235-R238 PolarHBondContact O-N 2.8Å; N236-R238 PolarHBondContact O-N 3.09Å; R238-S241 PolarHBondContact O-N 2.9Å; R238-R242 WeakPolarHBondContact O-CG 3.37Å; R238-R242 PolarHBondContact O-N 2.87Å
239A92.4Very high91.4Very high49 Ų49105.2 Ų105.241%0.40549%0.492SS..Hα-helixtrans-63.3-44.9177.100000111.6R235 N236 R242 K243R235-A239 WeakPolarHBondContact O-CB 3.41Å; R235-A239 PolarHBondContact O-N 3.07Å; N236-A239 PolarHBondContact O-N 3.05Å; A239-R242 PolarHBondContact O-N 3.07Å; A239-K243 PolarHBondContact O-N 3.41Å
240Q89.8Confident91.1Very high143 Ų143101.4 Ų101.467%0.66848%0.48SS*.Hα-helixtrans-63.6-42.3176.1-170.8175.4-2.200111.9N236 A237 R242 K243 Q244N236-Q240 PolarHBondContact O-N 2.73Å; A237-Q240 PolarHBondContact O-N 3.04Å; Q240-R242 VanDerWaalsContact C-N 3.32Å; Q240-R242 PolarHBondContact O-N 3.27Å; Q240-K243 PolarHBondContact O-N 2.75Å; Q240-Q244 PolarHBondContact O-N 2.82Å
241S89.9Confident90.9Very high48 Ų4899 Ų9934%0.33646%0.463SS..Hα-helixtrans-62.2-38175.6-173.10000112.4A237 R238 R245A237-S241 WeakPolarHBondContact O-CB 2.9Å; A237-S241 PolarHBondContact O-N 3.5Å; R238-S241 PolarHBondContact O-N 2.9Å; S241-R245 VanDerWaalsContact O-CG 3.28Å; S241-R245 WeakPolarHBondContact O-CG 3.31Å; S241-R245 PolarHBondContact O-N 3.03Å
242R90.5Very high90.7Very high193 Ų193104.3 Ų104.373%0.72848%0.479SS*.Hα-helixtrans-64.6-48173.7-73.3177.5-176.7-157.80.7111.7R238 A239 Q240 Q244 R245 Q246R238-R242 WeakPolarHBondContact O-CG 3.37Å; R238-R242 PolarHBondContact O-N 2.87Å; A239-R242 PolarHBondContact O-N 3.07Å; Q240-R242 VanDerWaalsContact C-N 3.32Å; Q240-R242 PolarHBondContact O-N 3.27Å; R242-Q244 VanDerWaalsContact C-N 3.33Å; R242-Q244 PolarHBondContact O-N 2.94Å; R242-R245 PolarHBondContact O-N 3.26Å; R242-Q246 PolarHBondContact O-N 3.49Å
243K88.6Confident90.5Very high148 Ų148103.8 Ų103.864%0.64348%0.48SS*.Hα-helixtrans-56.4-46.6175.8-73.3-171.2176.6-168.50111.1A239 Q240 R245 Q246 L247A239-K243 PolarHBondContact O-N 3.41Å; Q240-K243 PolarHBondContact O-N 2.75Å; K243-R245 PolarHBondContact O-N 3.14Å; K243-Q246 PolarHBondContact O-N 2.9Å; K243-L247 WeakPolarHBondContact O-CG 3.34Å; K243-L247 PolarHBondContact O-N 3.39Å
244Q87.1Confident90.3Very high99 Ų9995.6 Ų95.646%0.46345%0.449SS..Hα-helixtrans-63.9-40.1178.8-166.3-179.713.800112.6Q240 R242 L247 K248Q240-Q244 PolarHBondContact O-N 2.82Å; R242-Q244 VanDerWaalsContact C-N 3.33Å; R242-Q244 PolarHBondContact O-N 2.94Å; Q244-L247 PolarHBondContact O-N 3.45Å; Q244-K248 WeakPolarHBondContact O-CG 3.32Å; Q244-K248 PolarHBondContact O-N 2.94Å
245R89.6Confident90.2Very high184 Ų18492.1 Ų92.169%0.69443%0.431SS*.Hα-helixtrans-63.3-41.8174.7-74.8175.3-176.7-159.3-0.7111.9S241 R242 K243 K248 A249S241-R245 VanDerWaalsContact O-CG 3.28Å; S241-R245 WeakPolarHBondContact O-CG 3.31Å; S241-R245 PolarHBondContact O-N 3.03Å; R242-R245 PolarHBondContact O-N 3.26Å; K243-R245 PolarHBondContact O-N 3.14Å; R245-K248 PolarHBondContact O-N 3.22Å; R245-A249 WeakPolarHBondContact O-CB 3.49Å; R245-A249 PolarHBondContact O-N 3.15Å
246Q90.3Very high90Very high107 Ų10787.9 Ų87.950%0.543%0.434SS..Hα-helixtrans-61.8-50.5177-174.157.74000110.8R242 K243 K248 A249 D250R242-Q246 PolarHBondContact O-N 3.49Å; K243-Q246 PolarHBondContact O-N 2.9Å; Q246-K248 VanDerWaalsContact C-N 3.32Å; Q246-K248 PolarHBondContact O-N 3.01Å; Q246-A249 WeakPolarHBondContact O-CB 3.29Å; Q246-A249 PolarHBondContact O-N 3.25Å; Q246-D250 PolarHBondContact NE2-OD1 2.9Å; Q246-D250 VanDerWaalsContact NE2-OD1 3.15Å; Q246-D250 PolarHBondContact NE2-OD2 3.35Å; Q246-D250 PolarHBondContact O-N 3.28Å
247L88.1Confident90Very high50 Ų5090.4 Ų90.426%0.26244%0.436SS..Hα-helixtrans-58.6-40.6177.2-67.8176.2000112.9K243 Q244 D250 A251 V329K243-L247 WeakPolarHBondContact O-CG 3.34Å; K243-L247 PolarHBondContact O-N 3.39Å; Q244-L247 PolarHBondContact O-N 3.45Å; L247-D250 PolarHBondContact O-N 2.8Å; L247-A251 VanDerWaalsContact O-CB 3.31Å; L247-A251 WeakPolarHBondContact O-CB 3.4Å; L247-A251 PolarHBondContact O-N 3.11Å; L247-V329 HydrophobicContact CD2-CG1 3.37Å; L247-V329 HydrophobicContact CD2-CG2 4.38Å
248K88.9Confident89.9Confident88 Ų8888.5 Ų88.538%0.38342%0.418SS..Hα-helixtrans-65.8-37.2175.3-74.8-168175.8-1560112.2Q244 R245 Q246 K252 E310Q244-K248 WeakPolarHBondContact O-CG 3.32Å; Q244-K248 PolarHBondContact O-N 2.94Å; R245-K248 PolarHBondContact O-N 3.22Å; Q246-K248 VanDerWaalsContact C-N 3.32Å; Q246-K248 PolarHBondContact O-N 3.01Å; K248-K252 WeakPolarHBondContact O-CB 3.34Å; K248-K252 PolarHBondContact O-N 3.32Å; K248-E310 WeakPolarHBondContact CE-OE2 3.5Å; K248-E310 IonicContact NZ-OE2 2.78Å; K248-E310 PolarHBondContact NZ-OE2 3.14Å
249A90.6Very high90Very high52 Ų5288 Ų8843%0.4342%0.422SS..Hα-helixtrans-66.6-43.2175.500000111.7R245 Q246 K252 K253R245-A249 WeakPolarHBondContact O-CB 3.49Å; R245-A249 PolarHBondContact O-N 3.15Å; Q246-A249 WeakPolarHBondContact O-CB 3.29Å; Q246-A249 PolarHBondContact O-N 3.25Å; A249-K252 PolarHBondContact O-N 3.18Å; A249-K253 PolarHBondContact O-N 3.04Å
250D89.7Confident90.1Very high39 Ų3989.8 Ų89.821%0.20943%0.425CS..Hα-helixtrans-66.8-42.1178.1-65.3-32.1000111.5Q246 L247 K252 K253 A254Q246-D250 PolarHBondContact NE2-OD1 2.9Å; Q246-D250 VanDerWaalsContact NE2-OD1 3.15Å; Q246-D250 PolarHBondContact NE2-OD2 3.35Å; Q246-D250 PolarHBondContact O-N 3.28Å; L247-D250 PolarHBondContact O-N 2.8Å; D250-K252 PolarHBondContact O-N 3.15Å; D250-K253 PolarHBondContact O-N 3.3Å; D250-A254 WeakPolarHBondContact O-CB 3.37Å; D250-A254 PolarHBondContact O-N 2.91Å
251A90Very high90.2Very high0 Ų088.3 Ų88.30%041%0.413CS..Hα-helixtrans-57.8-47.3171.600000111.4L247 K253 A254 I255 R312L247-A251 VanDerWaalsContact O-CB 3.31Å; L247-A251 WeakPolarHBondContact O-CB 3.4Å; L247-A251 PolarHBondContact O-N 3.11Å; A251-K253 VanDerWaalsContact C-N 3.31Å; A251-K253 PolarHBondContact O-N 3.28Å; A251-A254 PolarHBondContact O-N 3.19Å; A251-I255 WeakPolarHBondContact O-CB 3.4Å; A251-I255 WeakPolarHBondContact O-CD1 3.37Å; A251-I255 WeakPolarHBondContact O-CG1 3.4Å; A251-I255 PolarHBondContact O-N 2.72Å; A251-R312 HydrophobicContact CB-CG 4.01Å
252K91.5Very high90.3Very high152 Ų15289.2 Ų89.266%0.66142%0.417SS*.Hα-helixtrans-59.2-41.6177.2-172.2178.3-179.4-178.70112.1K248 A249 D250 G256 L309K248-K252 WeakPolarHBondContact O-CB 3.34Å; K248-K252 PolarHBondContact O-N 3.32Å; A249-K252 PolarHBondContact O-N 3.18Å; D250-K252 PolarHBondContact O-N 3.15Å; K252-G256 PolarHBondContact O-N 3.45Å; K252-L309 HydrophobicContact CB-CD2 3.88Å; K252-L309 HydrophobicContact CG-CD2 4.44Å
253K90.6Very high90.3Very high129 Ų12980.1 Ų80.156%0.56138%0.382SS*.Hα-helixtrans-66.5-43.4177.1-174.3178.4178.5-178.50111.9A249 D250 A251 G256 R257A249-K253 PolarHBondContact O-N 3.04Å; D250-K253 PolarHBondContact O-N 3.3Å; A251-K253 VanDerWaalsContact C-N 3.31Å; A251-K253 PolarHBondContact O-N 3.28Å; K253-G256 PolarHBondContact O-N 2.78Å; K253-R257 PolarHBondContact O-N 2.97Å
254A89.7Confident90.2Very high0 Ų080.2 Ų80.20%038%0.383CS..Hα-helixtrans-63.3-45.8177.100000112.3D250 A251 G256 R257 L258 I321 L322 L325 I327D250-A254 WeakPolarHBondContact O-CB 3.37Å; D250-A254 PolarHBondContact O-N 2.91Å; A251-A254 PolarHBondContact O-N 3.19Å; A254-G256 PolarHBondContact O-N 2.84Å; A254-R257 WeakPolarHBondContact O-CB 3.29Å; A254-R257 PolarHBondContact O-N 2.81Å; A254-L258 PolarHBondContact O-N 2.84Å; A254-I321 HydrophobicContact CB-CD1 4.34Å; A254-L322 HydrophobicContact CB-CD2 3.45Å; A254-L322 VanDerWaalsContact CB-CD2 3.45Å; A254-L325 HydrophobicContact CB-CD1 3.71Å; A254-I327 HydrophobicContact CB-CD1 4.35Å
255I91.3Very high89.9Confident11 Ų1183 Ų836%0.05640%0.396CS..Hα-helixtrans-56.7-38175.3-70.9166.3000111.3A251 R257 L258 R291 L308 L309 I321A251-I255 WeakPolarHBondContact O-CB 3.4Å; A251-I255 WeakPolarHBondContact O-CD1 3.37Å; A251-I255 WeakPolarHBondContact O-CG1 3.4Å; A251-I255 PolarHBondContact O-N 2.72Å; I255-R257 PolarHBondContact O-N 2.97Å; I255-L258 WeakPolarHBondContact O-CB 3.39Å; I255-L258 PolarHBondContact O-N 2.86Å; I255-R291 PolarHBondContact O-NH2 3.39Å; I255-L308 HydrophobicContact CD1-CB 3.47Å; I255-L308 VanDerWaalsContact CD1-CB 3.47Å; I255-L308 HydrophobicContact CG1-CB 3.77Å; I255-L308 HydrophobicContact CG1-CD1 4.1Å; I255-L309 HydrophobicContact CD1-CD2 3.76Å; I255-L309 HydrophobicContact CD1-CG 3.76Å; I255-I321 HydrophobicContact CG1-CD1 3.65Å
256G89.2Confident89.2Confident59 Ų5977.7 Ų77.761%0.60840%0.398SS*.Hα-helixtrans-66-19.5175.200000115K252 K253 A254K252-G256 PolarHBondContact O-N 3.45Å; K253-G256 PolarHBondContact O-N 2.78Å; A254-G256 PolarHBondContact O-N 2.84Å
257R89.2Confident88.9Confident146 Ų14674 Ų7455%0.55138%0.382SS*.Hα-helixtrans-90-12.5176.4-65177.9174.2-178.3-5.4113.4K253 A254 I255K253-R257 PolarHBondContact O-N 2.97Å; A254-R257 WeakPolarHBondContact O-CB 3.29Å; A254-R257 PolarHBondContact O-N 2.81Å; I255-R257 PolarHBondContact O-N 2.97Å
258L90.7Very high88.5Confident13 Ų1380.4 Ų80.47%0.06841%0.407CS..SBendtrans-70.5146179.6-64.4174.8000110.8A254 I255 L260 R291 L293 T294 L308 I321A254-L258 PolarHBondContact O-N 2.84Å; I255-L258 WeakPolarHBondContact O-CB 3.39Å; I255-L258 PolarHBondContact O-N 2.86Å; L258-L260 PolarHBondContact O-N 2.74Å; L258-R291 HydrophobicContact CB-CG 4.08Å; L258-R291 HydrophobicContact CD1-CG 4.36Å; L258-L293 HydrophobicContact CD1-CD2 3.68Å; L258-T294 HydrophobicContact CD2-CG2 4Å; L258-L308 HydrophobicContact CD1-CD1 3.92Å; L258-I321 HydrophobicContact CD1-CD1 4.39Å
259Q92.3Very high88Confident138 Ų13877.7 Ų77.765%0.64540%0.396SS*.EExtended strand (participates in β ladder)trans-64.3131.1-178.6-66.2-178.1500110.2R291 I292Q259-R291 WeakPolarHBondContact O-CA 3.09Å; Q259-I292 HydrophobicContact CB-CB 4.21Å; Q259-I292 PolarHBondContact O-N 2.92Å
260L93.7Very high87.4Confident86 Ų8677 Ų7745%0.4539%0.385SS..EExtended strand (participates in β ladder)trans-115.3128.3174.7-16675.9000108.3L258 V290 R291 K301L258-L260 PolarHBondContact O-N 2.74Å; L260-V290 WeakPolarHBondContact CD1-O 3.46Å; L260-R291 HydrophobicContact CD1-CB 4.23Å; L260-K301 HydrophobicContact CD1-CB 3.93Å; L260-K301 HydrophobicContact CD1-CD 3.8Å; L260-K301 HydrophobicContact CD1-CG 3.85Å; L260-K301 HydrophobicContact CD2-CD 4.3Å
261R92.7Very high86.6Confident113 Ų11376.7 Ų76.743%0.42639%0.391SS..EExtended strand (participates in β ladder)trans-129.5138.3-179.5179.1179174.7168.61.5109.3D267 V290 I292R261-D267 IonicContact CZ-OD1 3.56Å; R261-D267 IonicContact CZ-OD2 2.55Å; R261-D267 IonicContact NE-OD2 2.75Å; R261-D267 IonicContact NH2-OD1 2.85Å; R261-D267 PolarHBondContact NH2-OD1 3.14Å; R261-D267 IonicContact NH2-OD2 3.8Å; R261-D267 PolarHBondContact NH2-OD2 3.2Å; R261-V290 HydrophobicContact CB-CG2 4.16Å; R261-V290 PolarHBondContact N-O 3.41Å; R261-V290 WeakPolarHBondContact O-CG2 3.42Å; R261-V290 PolarHBondContact O-N 2.9Å; R261-I292 HydrophobicContact CB-CD1 4.41Å
262T92.3Very high85.3Confident67 Ų6783.3 Ų83.341%0.41143%0.434SS..EExtended strand (participates in β ladder)trans-92.6123.4165.9-49.70000108.2N287 D288 L289T262-N287 HydrophobicContact CG2-CB 4.5Å; T262-D288 WeakPolarHBondContact CA-O 3.07Å; T262-L289 HydrophobicContact CG2-CD2 4.34Å; T262-L289 WeakPolarHBondContact OG1-CD2 3.3Å
263L89.4Confident84.3Confident2 Ų283.7 Ų83.71%0.0144%0.443CS..  trans-72.5135.6179.9-64.8-179.3000110.9D267 E269 I270 Y284 N287 D288 V290L263-D267 WeakPolarHBondContact CA-OD2 3.33Å; L263-D267 HydrophobicContact CD2-CB 4.45Å; L263-E269 HydrophobicContact CD1-CB 4.35Å; L263-E269 HydrophobicContact CD2-CB 4.5Å; L263-E269 HydrophobicContact CD2-CG 4.37Å; L263-I270 HydrophobicContact CB-CD1 3.92Å; L263-I270 HydrophobicContact CB-CG1 4.41Å; L263-I270 HydrophobicContact CD1-CG1 4.44Å; L263-Y284 HydrophobicContact CD1-CD1 3.93Å; L263-Y284 HydrophobicContact CD1-CG 3.75Å; L263-N287 WeakPolarHBondContact O-CA 3.35Å; L263-N287 PolarHBondContact O-N 3.37Å; L263-D288 HydrophobicContact CD1-CB 4.4Å; L263-D288 PolarHBondContact N-O 2.78Å; L263-V290 HydrophobicContact CD1-CG1 3.72Å; L263-V290 HydrophobicContact CD1-CG2 4.3Å; L263-V290 HydrophobicContact CD2-CG2 3.83Å; L263-V290 HydrophobicContact CG-CG1 4.03Å; L263-V290 HydrophobicContact CG-CG2 3.84Å
264K87.9Confident83.2Confident150 Ų15078.2 Ų78.265%0.65242%0.424SS*.  trans-108.7152.8177.8-65.6-177-178.5179.60110.7G266 D267 I270K264-G266 PolarHBondContact O-N 3.2Å; K264-G266 VanDerWaalsContact O-N 3.13Å; K264-D267 PolarHBondContact N-OD2 2.99Å; K264-D267 WeakPolarHBondContact O-CB 3.07Å; K264-D267 PolarHBondContact O-N 3Å; K264-I270 WeakPolarHBondContact O-CD1 3.43Å
265Q80.2Confident82.7Confident158 Ų15883.3 Ų83.374%0.73845%0.451SS*.THydrogen-bonded Turntrans-54.1119.2174-168.77439.800110.1
266G76.1Confident82.6Confident72 Ų7285.4 Ų85.474%0.74247%0.467SS*.THydrogen-bonded Turntrans100.8-1.6-17600000115.3K264K264-G266 PolarHBondContact O-N 3.2Å; K264-G266 VanDerWaalsContact O-N 3.13Å
267D82.8Confident82.8Confident29 Ų2982.6 Ų82.616%0.15544%0.438CS..  trans-63.7143.6167.1-77.7-18.8000110.6R261 L263 K264 E269 I270R261-D267 IonicContact CZ-OD1 3.56Å; R261-D267 IonicContact CZ-OD2 2.55Å; R261-D267 IonicContact NE-OD2 2.75Å; R261-D267 IonicContact NH2-OD1 2.85Å; R261-D267 PolarHBondContact NH2-OD1 3.14Å; R261-D267 IonicContact NH2-OD2 3.8Å; R261-D267 PolarHBondContact NH2-OD2 3.2Å; L263-D267 WeakPolarHBondContact CA-OD2 3.33Å; L263-D267 HydrophobicContact CD2-CB 4.45Å; K264-D267 PolarHBondContact N-OD2 2.99Å; K264-D267 WeakPolarHBondContact O-CB 3.07Å; K264-D267 PolarHBondContact O-N 3Å; D267-E269 PolarHBondContact O-N 3.49Å; D267-I270 HydrophobicContact CB-CD1 4.25Å; D267-I270 HydrophobicContact CB-CG1 4.31Å; D267-I270 PolarHBondContact O-N 3.49Å
268K79.9Confident82.9Confident184 Ų18478.3 Ų78.380%0.843%0.434SS*.G310 helixtrans-51.3-32.9-177.7-169.2-176176.4-166.80113I270K268-I270 VanDerWaalsContact C-N 3.3Å; K268-I270 PolarHBondContact O-N 2.94Å
269E79.4Confident82.9Confident32 Ų3280.4 Ų80.415%0.1545%0.447CS..G310 helixtrans-75.2-11.2-177.3-42.6-49.4149.800114.4L263 D267 Y284 I298L263-E269 HydrophobicContact CD1-CB 4.35Å; L263-E269 HydrophobicContact CD2-CB 4.5Å; L263-E269 HydrophobicContact CD2-CG 4.37Å; D267-E269 PolarHBondContact O-N 3.49Å; E269-Y284 HydrophobicContact CB-CD2 3.99Å; E269-I298 HydrophobicContact CG-CD1 4.11Å
270I77.7Confident83Confident36 Ų3675.9 Ų75.919%0.18543%0.43CS..G310 helixtrans-104.9-3.2-177.4-45.8178000111.7L263 K264 D267 K268 P286L263-I270 HydrophobicContact CB-CD1 3.92Å; L263-I270 HydrophobicContact CB-CG1 4.41Å; L263-I270 HydrophobicContact CD1-CG1 4.44Å; K264-I270 WeakPolarHBondContact O-CD1 3.43Å; D267-I270 HydrophobicContact CB-CD1 4.25Å; D267-I270 HydrophobicContact CB-CG1 4.31Å; D267-I270 PolarHBondContact O-N 3.49Å; K268-I270 VanDerWaalsContact C-N 3.3Å; K268-I270 PolarHBondContact O-N 2.94Å; I270-P286 HydrophobicContact CD1-CB 4.43Å; I270-P286 HydrophobicContact CD1-CG 4.27Å; I270-P286 HydrophobicContact CG2-CG 4.2Å
271G71.9Confident82.9Confident33 Ų3378.4 Ų78.434%0.3444%0.442SS..SBendtrans-67.6171.6-178.700000114.1D273 G274G271-D273 PolarHBondContact O-N 3.36Å; G271-G274 WeakPolarHBondContact O-CA 3.48Å; G271-G274 PolarHBondContact O-N 3.02Å
272P63.9Low82.8Confident139 Ų13978.3 Ų78.390%0.90345%0.447SS*.THydrogen-bonded Turntrans-62.3-23.217524.6-32.4000113.5
273D68.9Low82.7Confident160 Ų16080.6 Ų80.686%0.85646%0.456SS*.THydrogen-bonded Turntrans-103.720.1170.5-54.9-43.9000112.1G271G271-D273 PolarHBondContact O-N 3.36Å
274G67.9Low82.8Confident15 Ų1581 Ų8116%0.15546%0.457CS..  trans-71149.1-175.800000113G271G271-G274 WeakPolarHBondContact O-CA 3.48Å; G271-G274 PolarHBondContact O-N 3.02Å
275D79.9Confident82.8Confident107 Ų10779.5 Ų79.557%0.57245%0.451SS*.  trans-64.7159.2176.7-75.5-22000111.7Y284D275-Y284 HydrophobicContact CB-CE2 4.22Å; D275-Y284 WeakPolarHBondContact O-CD2 3.48Å; D275-Y284 WeakPolarHBondContact O-CE2 3.46Å
276S89.1Confident83.1Confident55 Ų5574.3 Ų74.339%0.38543%0.431SS..EExtended strand (participates in β ladder)trans-116155.3172.459.80000110.7A278 E282S276-A278 PolarHBondContact O-N 3.2Å; S276-A278 VanDerWaalsContact O-N 3.17Å; S276-E282 WeakPolarHBondContact CA-O 3.4Å; S276-E282 WeakPolarHBondContact CB-O 3.43Å
277C92.6Very high83.7Confident0 Ų076.8 Ų76.80%043%0.427CS..EExtended strand (participates in β ladder)trans-71.6112.3176.2-179.20000110V279 C280 I281 E282 Y284 H300C277-V279 PolarHBondContact O-N 3.36Å; C277-C280 VanDerWaalsContact CB-SG 3.56Å; C277-C280 PolarHBondContact O-N 2.92Å; C277-I281 WeakPolarHBondContact O-CA 3.42Å; C277-I281 PolarHBondContact O-N 3.03Å; C277-E282 PolarHBondContact N-O 2.87Å; C277-Y284 WeakPolarHBondContact CA-OH 3.35Å; C277-Y284 HydrophobicContact CB-CE1 3.83Å; C277-H300 VanDerWaalsContact CB-ND1 3.27Å; C277-H300 WeakPolarHBondContact CB-ND1 3.29Å; C277-H300 PolarHBondContact SG-N 3.34Å
278A91.1Very high84.1Confident56 Ų5677.1 Ų77.146%0.46343%0.429SS..THydrogen-bonded Turntrans-67-3.8-176.300000115.3S276 F299 M316S276-A278 PolarHBondContact O-N 3.2Å; S276-A278 VanDerWaalsContact O-N 3.17Å; A278-F299 HydrophobicContact CB-CE1 4.12Å; A278-M316 HydrophobicContact CB-CG 4.2Å; A278-M316 HydrophobicContact CB-SD 4.26Å
279V91.9Very high84.8Confident56 Ų5672.4 Ų72.434%0.33941%0.412SS..THydrogen-bonded Turntrans-90.8-44176.2179.80000111.9C277 F299 C303 P315C277-V279 PolarHBondContact O-N 3.36Å; V279-F299 HydrophobicContact CG2-CD1 3.8Å; V279-F299 HydrophobicContact CG2-CE1 4.2Å; V279-C303 HydrophobicContact CB-CB 3.87Å; V279-C303 HydrophobicContact CG1-CB 3.77Å; V279-P315 HydrophobicContact CG2-CB 4.28Å; V279-P315 HydrophobicContact CG2-CG 3.87Å
280C92.9Very high85.5Confident44 Ų4471 Ų7130%0.29741%0.405SS..THydrogen-bonded Turntrans-103.1-9.5177.160.50000113.7C277 E282 H300C277-C280 VanDerWaalsContact CB-SG 3.56Å; C277-C280 PolarHBondContact O-N 2.92Å; C280-E282 HydrophobicContact CB-CG 4.34Å; C280-E282 PolarHBondContact O-N 3.37Å; C280-H300 PolarHBondContact SG-ND1 3.24Å; C280-H300 VanDerWaalsContact SG-ND1 3.38Å
281I91.7Very high86.3Confident139 Ų13970 Ų7071%0.71340%0.399SS*.THydrogen-bonded Turntrans63.220-179.5-40.5174.3000112C277C277-I281 WeakPolarHBondContact O-CA 3.42Å; C277-I281 PolarHBondContact O-N 3.03Å
282E91.3Very high87.3Confident110 Ų11069.7 Ų69.751%0.51439%0.389SS..EExtended strand (participates in β ladder)trans-94.4142.5177.6-62.2-170.6179.100111.6S276 C277 C280S276-E282 WeakPolarHBondContact CA-O 3.4Å; S276-E282 WeakPolarHBondContact CB-O 3.43Å; C277-E282 PolarHBondContact N-O 2.87Å; C280-E282 HydrophobicContact CB-CG 4.34Å; C280-E282 PolarHBondContact O-N 3.37Å
283L90Very high88.8Confident116 Ų11663.2 Ų63.261%0.60735%0.347SS*.EExtended strand (participates in β ladder)trans-64.6143.8170.3-70.1168.4000110.6
284Y90.9Very high89.8Confident10 Ų1058.3 Ų58.34%0.03932%0.323CS..PPolyproline II helixtrans-69.9141.9177.3-65.9-62.8000112.4L263 E269 D275 C277 V290 I298 F299 H300L263-Y284 HydrophobicContact CD1-CD1 3.93Å; L263-Y284 HydrophobicContact CD1-CG 3.75Å; E269-Y284 HydrophobicContact CB-CD2 3.99Å; D275-Y284 HydrophobicContact CB-CE2 4.22Å; D275-Y284 WeakPolarHBondContact O-CD2 3.48Å; D275-Y284 WeakPolarHBondContact O-CE2 3.46Å; C277-Y284 WeakPolarHBondContact CA-OH 3.35Å; C277-Y284 HydrophobicContact CB-CE1 3.83Å; Y284-V290 HydrophobicContact CD1-CG1 3.7Å; Y284-V290 HydrophobicContact CE1-CG1 3.62Å; Y284-I298 VanDerWaalsContact OH-C 3.26Å; Y284-I298 PolarHBondContact OH-O 3.47Å; Y284-F299 WeakPolarHBondContact OH-CA 3.5Å; Y284-H300 AromaticContact CD1-CE1 3.86Å; Y284-H300 AromaticContact CD1-NE2 3.58Å; Y284-H300 AromaticContact CE1-CE1 3.91Å; Y284-H300 AromaticContact CE1-NE2 3.92Å
285K88.6Confident91Very high119 Ų11959.2 Ų59.252%0.51733%0.327SS..  trans-116.1156.3179.1-65.2172.5-171.8163.50111.3N287 D288K285-N287 PolarHBondContact O-N 3.01Å; K285-D288 PolarHBondContact N-OD2 3Å; K285-D288 VanDerWaalsContact O-CB 3.27Å; K285-D288 WeakPolarHBondContact O-CB 3.5Å; K285-D288 PolarHBondContact O-N 3.29Å; K285-D288 VanDerWaalsContact O-N 3.09Å
286P86.8Confident91.6Very high48 Ų4860.2 Ų60.231%0.31233%0.332SS..THydrogen-bonded Turntrans-55.9137.9170.2-1929.6000110.5I270 D288I270-P286 HydrophobicContact CD1-CB 4.43Å; I270-P286 HydrophobicContact CD1-CG 4.27Å; I270-P286 HydrophobicContact CG2-CG 4.2Å; P286-D288 VanDerWaalsContact C-N 3.28Å; P286-D288 PolarHBondContact O-N 2.78Å
287N89.4Confident91.8Very high125 Ų12560.1 Ų60.167%0.66833%0.325SS*.THydrogen-bonded Turntrans71.57.2-174-53.6-47.2000116.3T262 L263 K285 L289T262-N287 HydrophobicContact CG2-CB 4.5Å; L263-N287 WeakPolarHBondContact O-CA 3.35Å; L263-N287 PolarHBondContact O-N 3.37Å; K285-N287 PolarHBondContact O-N 3.01Å; N287-L289 PolarHBondContact O-N 3.41Å
288D91.3Very high91.8Very high36 Ų3661.8 Ų61.819%0.19333%0.334CS..  trans-64.5135.1170.9-80.1-7.8000111.1T262 L263 K285 P286 V290 H300T262-D288 WeakPolarHBondContact CA-O 3.07Å; L263-D288 HydrophobicContact CD1-CB 4.4Å; L263-D288 PolarHBondContact N-O 2.78Å; K285-D288 PolarHBondContact N-OD2 3Å; K285-D288 VanDerWaalsContact O-CB 3.27Å; K285-D288 WeakPolarHBondContact O-CB 3.5Å; K285-D288 PolarHBondContact O-N 3.29Å; K285-D288 VanDerWaalsContact O-N 3.09Å; P286-D288 VanDerWaalsContact C-N 3.28Å; P286-D288 PolarHBondContact O-N 2.78Å; D288-V290 HydrophobicContact CB-CG1 4.4Å; D288-V290 PolarHBondContact O-N 3.44Å; D288-H300 IonicContact OD2-CD2 3.47Å; D288-H300 IonicContact OD2-CE1 2.78Å; D288-H300 IonicContact OD2-NE2 3.77Å; D288-H300 PolarHBondContact OD2-NE2 3.08Å
289L93.7Very high92Very high85 Ų8559.1 Ų59.145%0.44531%0.312SS..EExtended strand (participates in β ladder)trans-86106.1171.8-71.2176.5000109.5T262 N287 K301T262-L289 HydrophobicContact CG2-CD2 4.34Å; T262-L289 WeakPolarHBondContact OG1-CD2 3.3Å; N287-L289 PolarHBondContact O-N 3.41Å; L289-K301 HydrophobicContact CB-CB 4.4Å; L289-K301 WeakPolarHBondContact O-CB 3.41Å; L289-K301 PolarHBondContact O-N 2.95Å
290V94Very high92.2Very high1 Ų157.2 Ų57.21%0.00630%0.299CS..EExtended strand (participates in β ladder)trans-108.1147.2178.5-59.20000111.7L260 R261 L263 Y284 D288 I298 F299L260-V290 WeakPolarHBondContact CD1-O 3.46Å; R261-V290 HydrophobicContact CB-CG2 4.16Å; R261-V290 PolarHBondContact N-O 3.41Å; R261-V290 WeakPolarHBondContact O-CG2 3.42Å; R261-V290 PolarHBondContact O-N 2.9Å; L263-V290 HydrophobicContact CD1-CG1 3.72Å; L263-V290 HydrophobicContact CD1-CG2 4.3Å; L263-V290 HydrophobicContact CD2-CG2 3.83Å; L263-V290 HydrophobicContact CG-CG1 4.03Å; L263-V290 HydrophobicContact CG-CG2 3.84Å; Y284-V290 HydrophobicContact CD1-CG1 3.7Å; Y284-V290 HydrophobicContact CE1-CG1 3.62Å; D288-V290 HydrophobicContact CB-CG1 4.4Å; D288-V290 PolarHBondContact O-N 3.44Å; V290-I298 HydrophobicContact CB-CG2 3.65Å; V290-I298 HydrophobicContact CG1-CG2 4.17Å; V290-I298 HydrophobicContact CG2-CG2 3.73Å; V290-F299 CarbonylContact C-O 3.47Å; V290-F299 WeakPolarHBondContact CA-O 3.43Å; V290-F299 WeakPolarHBondContact CB-O 3.4Å
291R94.8Very high92.3Very high17 Ų1758.5 Ų58.56%0.06430%0.3CS..EExtended strand (participates in β ladder)trans-111129.3175.5176.2156.8-79.5165-4109I255 L258 Q259 L260 L293 F299 V304 D305I255-R291 PolarHBondContact O-NH2 3.39Å; L258-R291 HydrophobicContact CB-CG 4.08Å; L258-R291 HydrophobicContact CD1-CG 4.36Å; Q259-R291 WeakPolarHBondContact O-CA 3.09Å; L260-R291 HydrophobicContact CD1-CB 4.23Å; R291-L293 HydrophobicContact CG-CD2 4.21Å; R291-F299 PolarHBondContact N-O 2.96Å; R291-F299 PolarHBondContact O-N 3.19Å; R291-F299 VanDerWaalsContact O-N 3.08Å; R291-V304 HydrophobicContact CB-CG1 3.89Å; R291-V304 HydrophobicContact CG-CG1 4.15Å; R291-D305 WeakPolarHBondContact CD-OD1 3.42Å; R291-D305 IonicContact CZ-OD1 3.89Å; R291-D305 IonicContact CZ-OD2 3.57Å; R291-D305 IonicContact NE-OD1 3.46Å; R291-D305 IonicContact NH1-OD1 2.87Å; R291-D305 PolarHBondContact NH1-OD1 2.76Å; R291-D305 IonicContact NH1-OD2 2.62Å; R291-D305 PolarHBondContact NH1-OD2 3.02Å
292I93.5Very high92.5Very high25 Ų2557.2 Ų57.213%0.12830%0.299CS..EExtended strand (participates in β ladder)trans-102.7120.6179-48.8176.5000107.3Q259 R261 I298Q259-I292 HydrophobicContact CB-CB 4.21Å; Q259-I292 PolarHBondContact O-N 2.92Å; R261-I292 HydrophobicContact CB-CD1 4.41Å; I292-I298 HydrophobicContact CG1-CG1 4.25Å; I292-I298 HydrophobicContact CG2-CG1 4.48Å
293L93.8Very high92.6Very high4 Ų453.5 Ų53.52%0.02128%0.284CS..  trans-79.2168.1179.1-54.2-169.2000111.2L258 R291 C295 N296 H297 F299 V304 L308 C314L258-L293 HydrophobicContact CD1-CD2 3.68Å; R291-L293 HydrophobicContact CG-CD2 4.21Å; L293-C295 PolarHBondContact O-N 2.83Å; L293-C295 VanDerWaalsContact O-N 3.14Å; L293-N296 WeakPolarHBondContact O-CA 3.27Å; L293-N296 PolarHBondContact O-N 2.89Å; L293-H297 PolarHBondContact N-O 2.81Å; L293-F299 HydrophobicContact CD1-CD2 4.15Å; L293-F299 HydrophobicContact CD1-CE2 3.73Å; L293-F299 HydrophobicContact CG-CD2 4.2Å; L293-F299 HydrophobicContact CG-CE2 4.13Å; L293-V304 HydrophobicContact CD2-CG2 4.41Å; L293-L308 HydrophobicContact CD1-CD2 4.47Å; L293-L308 HydrophobicContact CD2-CD1 3.71Å; L293-C314 HydrophobicContact CD1-CB 3.7Å
294T91.2Very high92.8Very high57 Ų5748 Ų4835%0.3526%0.255SS..THydrogen-bonded Turntrans-62.8-17.3175.8490000114.1L258 N296 A324 L325L258-T294 HydrophobicContact CD2-CG2 4Å; T294-N296 VanDerWaalsContact C-N 3.34Å; T294-A324 HydrophobicContact CG2-CB 4.16Å; T294-A324 VanDerWaalsContact OG1-CB 3.29Å; T294-A324 WeakPolarHBondContact OG1-CB 3.43Å; T294-L325 HydrophobicContact CG2-CD2 3.93Å; T294-L325 HydrophobicContact CG2-CG 4.16Å
295C92.8Very high93Very high34 Ų3448.6 Ų48.623%0.2326%0.259CS..THydrogen-bonded Turntrans-91.99.9171.956.60000113.4L293 H297 C317 C319L293-C295 PolarHBondContact O-N 2.83Å; L293-C295 VanDerWaalsContact O-N 3.14Å; C295-H297 PolarHBondContact O-N 3.11Å; C295-H297 PolarHBondContact SG-ND1 3.16Å; C295-H297 VanDerWaalsContact SG-ND1 3.38Å; C295-C317 PolarHBondContact SG-SG 2.93Å; C295-C319 HydrophobicContact CB-CB 4.21Å
296N91.6Very high93.2Very high128 Ų12846.7 Ų46.768%0.68426%0.259SS*.  trans66.92.1-179.2-56.8-36.3000117L293 T294L293-N296 WeakPolarHBondContact O-CA 3.27Å; L293-N296 PolarHBondContact O-N 2.89Å; T294-N296 VanDerWaalsContact C-N 3.34Å
297H93.4Very high93.5Very high52 Ų5249.2 Ų49.224%0.24126%0.263CS..  trans-68.2139.9169.7-66.1114.4000111.6L293 C295 F299 C314 M316 C317L293-H297 PolarHBondContact N-O 2.81Å; C295-H297 PolarHBondContact O-N 3.11Å; C295-H297 PolarHBondContact SG-ND1 3.16Å; C295-H297 VanDerWaalsContact SG-ND1 3.38Å; H297-F299 HydrophobicContact CB-CD2 4.48Å; H297-F299 HydrophobicContact CB-CE2 3.51Å; H297-F299 HydrophobicContact CB-CZ 3.84Å; H297-C314 PolarHBondContact ND1-SG 3Å; H297-C314 VanDerWaalsContact ND1-SG 3.41Å; H297-M316 HydrophobicContact CB-SD 4.28Å; H297-M316 VanDerWaalsContact CD2-CE 3.48Å; H297-M316 WeakPolarHBondContact CD2-CE 3.3Å; H297-M316 PolarHBondContact CD2-SD 2.81Å; H297-C317 VanDerWaalsContact CE1-SG 3.57Å; H297-C317 PolarHBondContact ND1-SG 2.91Å
298I93.5Very high93.7Very high36 Ų3643.2 Ų43.219%0.18523%0.231CC..EExtended strand (participates in β ladder)trans-110137.2-174.3-50.9179.5000108.9E269 Y284 V290 I292E269-I298 HydrophobicContact CG-CD1 4.11Å; Y284-I298 VanDerWaalsContact OH-C 3.26Å; Y284-I298 PolarHBondContact OH-O 3.47Å; V290-I298 HydrophobicContact CB-CG2 3.65Å; V290-I298 HydrophobicContact CG1-CG2 4.17Å; V290-I298 HydrophobicContact CG2-CG2 3.73Å; I292-I298 HydrophobicContact CG1-CG1 4.25Å; I292-I298 HydrophobicContact CG2-CG1 4.48Å
299F95.7Very high93.7Very high0 Ų044.6 Ų44.60%024%0.238CC..EExtended strand (participates in β ladder)trans-146.7157.5176.1-55.7-86000110.8A278 V279 Y284 V290 R291 L293 H297 K301 V304 P315 M316A278-F299 HydrophobicContact CB-CE1 4.12Å; V279-F299 HydrophobicContact CG2-CD1 3.8Å; V279-F299 HydrophobicContact CG2-CE1 4.2Å; Y284-F299 WeakPolarHBondContact OH-CA 3.5Å; V290-F299 CarbonylContact C-O 3.47Å; V290-F299 WeakPolarHBondContact CA-O 3.43Å; V290-F299 WeakPolarHBondContact CB-O 3.4Å; R291-F299 PolarHBondContact N-O 2.96Å; R291-F299 PolarHBondContact O-N 3.19Å; R291-F299 VanDerWaalsContact O-N 3.08Å; L293-F299 HydrophobicContact CD1-CD2 4.15Å; L293-F299 HydrophobicContact CD1-CE2 3.73Å; L293-F299 HydrophobicContact CG-CD2 4.2Å; L293-F299 HydrophobicContact CG-CE2 4.13Å; H297-F299 HydrophobicContact CB-CD2 4.48Å; H297-F299 HydrophobicContact CB-CE2 3.51Å; H297-F299 HydrophobicContact CB-CZ 3.84Å; F299-K301 PolarHBondContact O-N 2.82Å; F299-V304 HydrophobicContact CB-CB 3.61Å; F299-V304 HydrophobicContact CB-CG1 3.97Å; F299-V304 HydrophobicContact CB-CG2 4.04Å; F299-V304 HydrophobicContact CD2-CB 4.31Å; F299-V304 HydrophobicContact CD2-CG2 3.78Å; F299-V304 HydrophobicContact CE2-CG2 4.46Å; F299-V304 HydrophobicContact CG-CB 4.07Å; F299-V304 HydrophobicContact CG-CG2 3.94Å; F299-P315 HydrophobicContact CE1-CB 4.23Å; F299-P315 HydrophobicContact CE1-CG 4.1Å; F299-P315 HydrophobicContact CZ-CB 4.28Å; F299-P315 HydrophobicContact CZ-CG 4.07Å; F299-M316 HydrophobicContact CE1-CG 4.11Å; F299-M316 HydrophobicContact CE1-SD 4.13Å; F299-M316 HydrophobicContact CZ-CB 4.47Å; F299-M316 HydrophobicContact CZ-CG 3.82Å; F299-M316 HydrophobicContact CZ-SD 3.88Å
300H96.1Very high93.4Very high16 Ų1645.5 Ų45.57%0.07424%0.239CC..EExtended strand (participates in β ladder)trans-58.3135.8166-64.7111.7000110.5C277 C280 Y284 D288 T302 C303 V304C277-H300 VanDerWaalsContact CB-ND1 3.27Å; C277-H300 WeakPolarHBondContact CB-ND1 3.29Å; C277-H300 PolarHBondContact SG-N 3.34Å; C280-H300 PolarHBondContact SG-ND1 3.24Å; C280-H300 VanDerWaalsContact SG-ND1 3.38Å; Y284-H300 AromaticContact CD1-CE1 3.86Å; Y284-H300 AromaticContact CD1-NE2 3.58Å; Y284-H300 AromaticContact CE1-CE1 3.91Å; Y284-H300 AromaticContact CE1-NE2 3.92Å; D288-H300 IonicContact OD2-CD2 3.47Å; D288-H300 IonicContact OD2-CE1 2.78Å; D288-H300 IonicContact OD2-NE2 3.77Å; D288-H300 PolarHBondContact OD2-NE2 3.08Å; H300-T302 VanDerWaalsContact C-N 3.27Å; H300-T302 PolarHBondContact O-N 3.01Å; H300-C303 HydrophobicContact CB-CB 4.03Å; H300-C303 PolarHBondContact O-N 2.62Å; H300-V304 PolarHBondContact O-N 2.83Å
301K94.4Very high93.2Very high70 Ų7050 Ų5030%0.30426%0.26SS..Hα-helixtrans-54.3-44.9178.2-178.1-164.1174.3-56.40111.6L260 L289 F299 C303 D305L260-K301 HydrophobicContact CD1-CB 3.93Å; L260-K301 HydrophobicContact CD1-CD 3.8Å; L260-K301 HydrophobicContact CD1-CG 3.85Å; L260-K301 HydrophobicContact CD2-CD 4.3Å; L289-K301 HydrophobicContact CB-CB 4.4Å; L289-K301 WeakPolarHBondContact O-CB 3.41Å; L289-K301 PolarHBondContact O-N 2.95Å; F299-K301 PolarHBondContact O-N 2.82Å; K301-C303 PolarHBondContact O-N 3.28Å; K301-D305 WeakPolarHBondContact CG-OD2 3.26Å; K301-D305 IonicContact NZ-OD2 3.95Å; K301-D305 PolarHBondContact NZ-OD2 2.91Å; K301-D305 VanDerWaalsContact O-CB 3.28Å; K301-D305 WeakPolarHBondContact O-CB 3.43Å; K301-D305 PolarHBondContact O-N 3.06Å; K301-D305 VanDerWaalsContact O-N 3.14Å
302T94.8Very high93.1Very high113 Ų11351.9 Ų51.969%0.69327%0.267SS*.Hα-helixtrans-64.5-29.1-179.945.60000112.9H300 P306H300-T302 VanDerWaalsContact C-N 3.27Å; H300-T302 PolarHBondContact O-N 3.01Å; T302-P306 VanDerWaalsContact O-CD 3.27Å; T302-P306 WeakPolarHBondContact O-CD 3.47Å
303C93.9Very high93.1Very high31 Ų3152.4 Ų52.421%0.20927%0.272CS..Hα-helixtrans-84.1-43.4-178.8-61.80000112.2V279 H300 K301V279-C303 HydrophobicContact CB-CB 3.87Å; V279-C303 HydrophobicContact CG1-CB 3.77Å; H300-C303 HydrophobicContact CB-CB 4.03Å; H300-C303 PolarHBondContact O-N 2.62Å; K301-C303 PolarHBondContact O-N 3.28Å
304V95.3Very high93.1Very high0 Ų052.2 Ų52.20%027%0.271CS..Hα-helixtrans-86.9-26.1-172.777.90000113.7R291 L293 F299 H300 W307 L308 P315R291-V304 HydrophobicContact CB-CG1 3.89Å; R291-V304 HydrophobicContact CG-CG1 4.15Å; L293-V304 HydrophobicContact CD2-CG2 4.41Å; F299-V304 HydrophobicContact CB-CB 3.61Å; F299-V304 HydrophobicContact CB-CG1 3.97Å; F299-V304 HydrophobicContact CB-CG2 4.04Å; F299-V304 HydrophobicContact CD2-CB 4.31Å; F299-V304 HydrophobicContact CD2-CG2 3.78Å; F299-V304 HydrophobicContact CE2-CG2 4.46Å; F299-V304 HydrophobicContact CG-CB 4.07Å; F299-V304 HydrophobicContact CG-CG2 3.94Å; H300-V304 PolarHBondContact O-N 2.83Å; V304-W307 WeakPolarHBondContact O-CB 3.48Å; V304-W307 PolarHBondContact O-N 2.67Å; V304-L308 HydrophobicContact CG1-CD1 4.41Å; V304-L308 HydrophobicContact CG2-CD1 3.9Å; V304-L308 HydrophobicContact CG2-CG 3.96Å; V304-L308 VanDerWaalsContact O-CG 3.3Å; V304-L308 WeakPolarHBondContact O-CG 3.17Å; V304-L308 PolarHBondContact O-N 2.9Å; V304-P315 HydrophobicContact CG2-CG 4.46Å
305D94.1Very high93.2Very high23 Ų2351.4 Ų51.412%0.12327%0.267CS..Hα-helixtrans-62.1-46.9-178-67.96.3000113.4R291 K301 W307 L308 L309R291-D305 WeakPolarHBondContact CD-OD1 3.42Å; R291-D305 IonicContact CZ-OD1 3.89Å; R291-D305 IonicContact CZ-OD2 3.57Å; R291-D305 IonicContact NE-OD1 3.46Å; R291-D305 IonicContact NH1-OD1 2.87Å; R291-D305 PolarHBondContact NH1-OD1 2.76Å; R291-D305 IonicContact NH1-OD2 2.62Å; R291-D305 PolarHBondContact NH1-OD2 3.02Å; K301-D305 WeakPolarHBondContact CG-OD2 3.26Å; K301-D305 IonicContact NZ-OD2 3.95Å; K301-D305 PolarHBondContact NZ-OD2 2.91Å; K301-D305 VanDerWaalsContact O-CB 3.28Å; K301-D305 WeakPolarHBondContact O-CB 3.43Å; K301-D305 PolarHBondContact O-N 3.06Å; K301-D305 VanDerWaalsContact O-N 3.14Å; D305-W307 VanDerWaalsContact C-N 3.31Å; D305-W307 PolarHBondContact O-N 3.33Å; D305-L308 PolarHBondContact O-N 2.87Å; D305-L309 WeakPolarHBondContact O-CG 3.14Å; D305-L309 PolarHBondContact O-N 3.46Å; D305-L309 VanDerWaalsContact O-N 3.16Å
306P93.6Very high93.1Very high79 Ų7955 Ų5551%0.51328%0.281SS..Hα-helixtrans-63.3-38.2176.1-20.834.1000112.2T302 L309 E310T302-P306 VanDerWaalsContact O-CD 3.27Å; T302-P306 WeakPolarHBondContact O-CD 3.47Å; P306-L309 PolarHBondContact O-N 3.21Å; P306-E310 PolarHBondContact O-N 3.19Å
307W93.3Very high93.1Very high101 Ų10151.3 Ų51.338%0.38327%0.265SS..Hα-helixtrans-61.6-47.9177.3179.1-84.1000111.6V304 D305 L309 E310 H311 T313 P315V304-W307 WeakPolarHBondContact O-CB 3.48Å; V304-W307 PolarHBondContact O-N 2.67Å; D305-W307 VanDerWaalsContact C-N 3.31Å; D305-W307 PolarHBondContact O-N 3.33Å; W307-L309 VanDerWaalsContact C-N 3.3Å; W307-L309 PolarHBondContact O-N 3.03Å; W307-E310 PolarHBondContact O-N 3.01Å; W307-H311 AromaticContact CD2-CD2 3.79Å; W307-H311 AromaticContact CE2-CD2 3.85Å; W307-H311 AromaticContact CE3-CD2 3.92Å; W307-H311 PolarHBondContact O-N 3.05Å; W307-T313 PolarHBondContact NE1-O 2.81Å; W307-P315 HydrophobicContact CD2-CG 4.21Å; W307-P315 HydrophobicContact CG-CG 4.07Å; W307-P315 HydrophobicContact CZ2-CB 4.48Å
308L92.5Very high93.1Very high0 Ų056.9 Ų56.90%029%0.289CS..Hα-helixtrans-68.9-26.5-178.7-67173.4000113.2I255 L258 L293 V304 D305 E310 R312 T313 I321I255-L308 HydrophobicContact CD1-CB 3.47Å; I255-L308 VanDerWaalsContact CD1-CB 3.47Å; I255-L308 HydrophobicContact CG1-CB 3.77Å; I255-L308 HydrophobicContact CG1-CD1 4.1Å; L258-L308 HydrophobicContact CD1-CD1 3.92Å; L293-L308 HydrophobicContact CD1-CD2 4.47Å; L293-L308 HydrophobicContact CD2-CD1 3.71Å; V304-L308 HydrophobicContact CG1-CD1 4.41Å; V304-L308 HydrophobicContact CG2-CD1 3.9Å; V304-L308 HydrophobicContact CG2-CG 3.96Å; V304-L308 VanDerWaalsContact O-CG 3.3Å; V304-L308 WeakPolarHBondContact O-CG 3.17Å; V304-L308 PolarHBondContact O-N 2.9Å; D305-L308 PolarHBondContact O-N 2.87Å; L308-E310 VanDerWaalsContact C-N 3.31Å; L308-R312 VanDerWaalsContact O-CA 3.24Å; L308-R312 WeakPolarHBondContact O-CA 3.27Å; L308-R312 PolarHBondContact O-N 3Å; L308-R312 VanDerWaalsContact O-N 3.07Å; L308-T313 WeakPolarHBondContact CD2-O 3.42Å; L308-I321 HydrophobicContact CB-CD1 4.13Å; L308-I321 HydrophobicContact CD1-CD1 4.24Å; L308-I321 HydrophobicContact CD2-CD1 4.15Å; L308-I321 HydrophobicContact CD2-CG2 3.91Å; L308-I321 HydrophobicContact CG-CD1 4.4Å
309L90.6Very high92.9Very high64 Ų6458 Ų5834%0.33530%0.299SS..Hα-helixtrans-70.4-26.9174.7-75.4171.7000113.2K252 I255 D305 P306 W307K252-L309 HydrophobicContact CB-CD2 3.88Å; K252-L309 HydrophobicContact CG-CD2 4.44Å; I255-L309 HydrophobicContact CD1-CD2 3.76Å; I255-L309 HydrophobicContact CD1-CG 3.76Å; D305-L309 WeakPolarHBondContact O-CG 3.14Å; D305-L309 PolarHBondContact O-N 3.46Å; D305-L309 VanDerWaalsContact O-N 3.16Å; P306-L309 PolarHBondContact O-N 3.21Å; W307-L309 VanDerWaalsContact C-N 3.3Å; W307-L309 PolarHBondContact O-N 3.03Å
310E88.8Confident92.6Very high104 Ų10459.6 Ų59.649%0.48631%0.308SS..Hα-helixtrans-98.6-45.6-179.6-16461.5-153.400111.9K248 P306 W307 L308K248-E310 WeakPolarHBondContact CE-OE2 3.5Å; K248-E310 IonicContact NZ-OE2 2.78Å; K248-E310 PolarHBondContact NZ-OE2 3.14Å; P306-E310 PolarHBondContact O-N 3.19Å; W307-E310 PolarHBondContact O-N 3.01Å; L308-E310 VanDerWaalsContact C-N 3.31Å
311H89.4Confident92.3Very high96 Ų9658.9 Ų58.944%0.44430%0.304SS..Hα-helixtrans-103.6-23.4-172.3-62.2-63.1000114.3W307 T313W307-H311 AromaticContact CD2-CD2 3.79Å; W307-H311 AromaticContact CE2-CD2 3.85Å; W307-H311 AromaticContact CE3-CD2 3.92Å; W307-H311 PolarHBondContact O-N 3.05Å; H311-T313 PolarHBondContact O-N 3.12Å
312R91.8Very high91.9Very high56 Ų5655.6 Ų55.621%0.21129%0.29CS..  trans59.26.8-178.3-54.1168.8-72.5165.82.3115.1A251 L308 D320 I321 L322A251-R312 HydrophobicContact CB-CG 4.01Å; L308-R312 VanDerWaalsContact O-CA 3.24Å; L308-R312 WeakPolarHBondContact O-CA 3.27Å; L308-R312 PolarHBondContact O-N 3Å; L308-R312 VanDerWaalsContact O-N 3.07Å; R312-D320 WeakPolarHBondContact O-CA 3.49Å; R312-I321 WeakPolarHBondContact O-CG1 3.48Å; R312-I321 PolarHBondContact O-N 3.28Å; R312-L322 HydrophobicContact CG-CD1 4.42Å
313T93.8Very high91.4Very high36 Ų3657.3 Ų57.322%0.22129%0.288CS..BIsolated β-bridgetrans-116.9149.8-175.552.50000111.3W307 L308 H311 K318 C319 D320W307-T313 PolarHBondContact NE1-O 2.81Å; L308-T313 WeakPolarHBondContact CD2-O 3.42Å; H311-T313 PolarHBondContact O-N 3.12Å; T313-K318 WeakPolarHBondContact CG2-O 3.13Å; T313-C319 CarbonylContact C-O 3.59Å; T313-C319 VanDerWaalsContact CA-O 3.31Å; T313-C319 WeakPolarHBondContact CA-O 3.42Å; T313-D320 HydrophobicContact CG2-CB 4.3Å
314C93.9Very high90.7Very high1 Ų158.5 Ų58.51%0.00730%0.3CS..  trans-60.7130.5171.2177.20000110.6L293 H297 M316 C317 K318 C319L293-C314 HydrophobicContact CD1-CB 3.7Å; H297-C314 PolarHBondContact ND1-SG 3Å; H297-C314 VanDerWaalsContact ND1-SG 3.41Å; C314-M316 PolarHBondContact O-N 3.41Å; C314-M316 VanDerWaalsContact O-N 3.16Å; C314-M316 PolarHBondContact SG-N 3.29Å; C314-M316 VanDerWaalsContact SG-N 3.37Å; C314-C317 VanDerWaalsContact CB-SG 3.52Å; C314-K318 VanDerWaalsContact O-CA 3.27Å; C314-K318 WeakPolarHBondContact O-CA 3.3Å; C314-K318 PolarHBondContact O-N 2.82Å; C314-C319 PolarHBondContact N-O 3.33Å
315P93.8Very high89.9Confident40 Ų4061.1 Ų61.126%0.2631%0.314SS..THydrogen-bonded Turntrans-56.7-27.8175.5-24.531.7000114.3V279 F299 V304 W307V279-P315 HydrophobicContact CG2-CB 4.28Å; V279-P315 HydrophobicContact CG2-CG 3.87Å; F299-P315 HydrophobicContact CE1-CB 4.23Å; F299-P315 HydrophobicContact CE1-CG 4.1Å; F299-P315 HydrophobicContact CZ-CB 4.28Å; F299-P315 HydrophobicContact CZ-CG 4.07Å; V304-P315 HydrophobicContact CG2-CG 4.46Å; W307-P315 HydrophobicContact CD2-CG 4.21Å; W307-P315 HydrophobicContact CG-CG 4.07Å; W307-P315 HydrophobicContact CZ2-CB 4.48Å
316M91.7Very high88.9Confident109 Ų10963 Ų6354%0.53734%0.338SS..THydrogen-bonded Turntrans-90.4-53.1-176.3-70.21806500113.1A278 H297 F299 C314A278-M316 HydrophobicContact CB-CG 4.2Å; A278-M316 HydrophobicContact CB-SD 4.26Å; H297-M316 HydrophobicContact CB-SD 4.28Å; H297-M316 VanDerWaalsContact CD2-CE 3.48Å; H297-M316 WeakPolarHBondContact CD2-CE 3.3Å; H297-M316 PolarHBondContact CD2-SD 2.81Å; F299-M316 HydrophobicContact CE1-CG 4.11Å; F299-M316 HydrophobicContact CE1-SD 4.13Å; F299-M316 HydrophobicContact CZ-CB 4.47Å; F299-M316 HydrophobicContact CZ-CG 3.82Å; F299-M316 HydrophobicContact CZ-SD 3.88Å; C314-M316 PolarHBondContact O-N 3.41Å; C314-M316 VanDerWaalsContact O-N 3.16Å; C314-M316 PolarHBondContact SG-N 3.29Å; C314-M316 VanDerWaalsContact SG-N 3.37Å
317C91.8Very high88Confident51 Ų5161.1 Ų61.135%0.34532%0.323SS..THydrogen-bonded Turntrans-110.20.4-17262.10000114.8C295 H297 C314 C319C295-C317 PolarHBondContact SG-SG 2.93Å; H297-C317 VanDerWaalsContact CE1-SG 3.57Å; H297-C317 PolarHBondContact ND1-SG 2.91Å; C314-C317 VanDerWaalsContact CB-SG 3.52Å; C317-C319 PolarHBondContact O-N 2.8Å; C317-C319 PolarHBondContact SG-SG 2.91Å
318K91.4Very high86.5Confident169 Ų16965.4 Ų65.474%0.73535%0.348SS*.  trans60.110.9-178-54.5179.5-179.3177.80115.5T313 C314 D320T313-K318 WeakPolarHBondContact CG2-O 3.13Å; C314-K318 VanDerWaalsContact O-CA 3.27Å; C314-K318 WeakPolarHBondContact O-CA 3.3Å; C314-K318 PolarHBondContact O-N 2.82Å; K318-D320 PolarHBondContact O-N 2.95Å
319C90.6Very high84.9Confident58 Ų5867.1 Ų67.139%0.39236%0.358SS..  trans-59.1126.9173-66.30000110.8C295 T313 C314 C317C295-C319 HydrophobicContact CB-CB 4.21Å; T313-C319 CarbonylContact C-O 3.59Å; T313-C319 VanDerWaalsContact CA-O 3.31Å; T313-C319 WeakPolarHBondContact CA-O 3.42Å; C314-C319 PolarHBondContact N-O 3.33Å; C317-C319 PolarHBondContact O-N 2.8Å; C317-C319 PolarHBondContact SG-SG 2.91Å
320D89.8Confident83.1Confident35 Ų3571.9 Ų71.919%0.18738%0.384CS..BIsolated β-bridgetrans-78.2121.7177.8-172.2-31.4000110.6R312 T313 K318 L322 K323 A324R312-D320 WeakPolarHBondContact O-CA 3.49Å; T313-D320 HydrophobicContact CG2-CB 4.3Å; K318-D320 PolarHBondContact O-N 2.95Å; D320-L322 VanDerWaalsContact C-N 3.29Å; D320-L322 PolarHBondContact O-N 2.94Å; D320-L322 WeakPolarHBondContact OD1-CB 3.37Å; D320-L322 PolarHBondContact OD1-N 2.82Å; D320-K323 HydrophobicContact CB-CB 4.19Å; D320-K323 HydrophobicContact CB-CD 4.22Å; D320-K323 HydrophobicContact CB-CG 4.1Å; D320-K323 PolarHBondContact O-N 3.36Å; D320-A324 WeakPolarHBondContact O-CB 3.25Å; D320-A324 PolarHBondContact O-N 2.93Å; D320-A324 VanDerWaalsContact O-N 3.08Å
321I89.6Confident81.5Confident1 Ų170.6 Ų70.61%0.00538%0.383CS..Hα-helixtrans-68.9-26.8-177.368.4171.1000112.7A254 I255 L258 L308 R312 L325A254-I321 HydrophobicContact CB-CD1 4.34Å; I255-I321 HydrophobicContact CG1-CD1 3.65Å; L258-I321 HydrophobicContact CD1-CD1 4.39Å; L308-I321 HydrophobicContact CB-CD1 4.13Å; L308-I321 HydrophobicContact CD1-CD1 4.24Å; L308-I321 HydrophobicContact CD2-CD1 4.15Å; L308-I321 HydrophobicContact CD2-CG2 3.91Å; L308-I321 HydrophobicContact CG-CD1 4.4Å; R312-I321 WeakPolarHBondContact O-CG1 3.48Å; R312-I321 PolarHBondContact O-N 3.28Å; I321-L325 WeakPolarHBondContact O-CB 3.35Å; I321-L325 WeakPolarHBondContact O-CD1 3.48Å; I321-L325 VanDerWaalsContact O-CG 3.24Å; I321-L325 WeakPolarHBondContact O-CG 3.27Å; I321-L325 PolarHBondContact O-N 2.85Å
322L86Confident79.5Confident0 Ų074.6 Ų74.60%040%0.402CS..Hα-helixtrans-72.9-45.7178.4-64.9-174.7000110.5A254 R312 D320 L325 G326 I327 V329A254-L322 HydrophobicContact CB-CD2 3.45Å; A254-L322 VanDerWaalsContact CB-CD2 3.45Å; R312-L322 HydrophobicContact CG-CD1 4.42Å; D320-L322 VanDerWaalsContact C-N 3.29Å; D320-L322 PolarHBondContact O-N 2.94Å; D320-L322 WeakPolarHBondContact OD1-CB 3.37Å; D320-L322 PolarHBondContact OD1-N 2.82Å; L322-L325 PolarHBondContact O-N 2.75Å; L322-G326 PolarHBondContact O-N 3.27Å; L322-I327 HydrophobicContact CD2-CD1 4.17Å; L322-I327 PolarHBondContact O-N 3.25Å; L322-V329 HydrophobicContact CB-CG2 4.17Å; L322-V329 HydrophobicContact CD1-CG2 3.73Å
323K83.1Confident77.1Confident149 Ų14978.5 Ų78.565%0.64843%0.427SS*.Hα-helixtrans-61.7-44.8175.6-66.5-172.4178.9-175.10111.4D320 L325 G326D320-K323 HydrophobicContact CB-CB 4.19Å; D320-K323 HydrophobicContact CB-CD 4.22Å; D320-K323 HydrophobicContact CB-CG 4.1Å; D320-K323 PolarHBondContact O-N 3.36Å; K323-L325 PolarHBondContact O-N 3.43Å; K323-G326 PolarHBondContact O-N 2.95Å; K323-G326 VanDerWaalsContact O-N 3.12Å
324A78.9Confident74.8Confident57 Ų5780.5 Ų80.547%0.47145%0.454SS..Hα-helixtrans-66-20.9179.900000114T294 D320T294-A324 HydrophobicContact CG2-CB 4.16Å; T294-A324 VanDerWaalsContact OG1-CB 3.29Å; T294-A324 WeakPolarHBondContact OG1-CB 3.43Å; D320-A324 WeakPolarHBondContact O-CB 3.25Å; D320-A324 PolarHBondContact O-N 2.93Å; D320-A324 VanDerWaalsContact O-N 3.08Å
325L80Confident72Confident55 Ų5584.9 Ų84.929%0.28849%0.485SS..THydrogen-bonded Turntrans-97.19.9176.6-69.7171000113.2A254 T294 I321 L322 K323 I327A254-L325 HydrophobicContact CB-CD1 3.71Å; T294-L325 HydrophobicContact CG2-CD2 3.93Å; T294-L325 HydrophobicContact CG2-CG 4.16Å; I321-L325 WeakPolarHBondContact O-CB 3.35Å; I321-L325 WeakPolarHBondContact O-CD1 3.48Å; I321-L325 VanDerWaalsContact O-CG 3.24Å; I321-L325 WeakPolarHBondContact O-CG 3.27Å; I321-L325 PolarHBondContact O-N 2.85Å; L322-L325 PolarHBondContact O-N 2.75Å; K323-L325 PolarHBondContact O-N 3.43Å; L325-I327 VanDerWaalsContact C-N 3.27Å; L325-I327 PolarHBondContact O-N 2.96Å
326G72.5Confident69Low62 Ų6289.5 Ų89.564%0.63951%0.513SS*.THydrogen-bonded Turntrans69.121.5178.600000114.1L322 K323 E328L322-G326 PolarHBondContact O-N 3.27Å; K323-G326 PolarHBondContact O-N 2.95Å; K323-G326 VanDerWaalsContact O-N 3.12Å; G326-E328 PolarHBondContact O-N 3.2Å
327I75.4Confident66.1Low39 Ų3988.9 Ų88.920%0.252%0.519CS..  trans-89.995.4172.3-57.9174000106.1A254 L322 L325 V329A254-I327 HydrophobicContact CB-CD1 4.35Å; L322-I327 HydrophobicContact CD2-CD1 4.17Å; L322-I327 PolarHBondContact O-N 3.25Å; L325-I327 VanDerWaalsContact C-N 3.27Å; L325-I327 PolarHBondContact O-N 2.96Å; I327-V329 HydrophobicContact CG2-CG2 4.37Å; I327-V329 PolarHBondContact O-N 2.88Å
328E60.3Low63.5Low192 Ų19293.9 Ų93.990%0.89754%0.541SS*.  trans-67.3104.9177-57.9-155.2-168.500109.1G326G326-E328 PolarHBondContact O-N 3.2Å
329V60.7Low60.7Low35 Ų3594 Ų9421%0.21255%0.545CS..  trans-93.3112.2169.4-171.80000106L247 L322 I327 V331L247-V329 HydrophobicContact CD2-CG1 3.37Å; L247-V329 HydrophobicContact CD2-CG2 4.38Å; L322-V329 HydrophobicContact CB-CG2 4.17Å; L322-V329 HydrophobicContact CD1-CG2 3.73Å; I327-V329 HydrophobicContact CG2-CG2 4.37Å; I327-V329 PolarHBondContact O-N 2.88Å; V329-V331 HydrophobicContact CB-CG2 4Å; V329-V331 HydrophobicContact CG1-CG2 3.52Å; V329-V331 PolarHBondContact O-N 3.1Å
330D52.5Low58Low165 Ų16597 Ų9788%0.88256%0.561SS**  trans-68.583.7172.8-140.25.5000108.3
331V55.1Low55.3Low76 Ų76100.8 Ų100.846%0.46159%0.587SS.*  trans-94.896.3175.7-176.10000106.4V329 D333V329-V331 HydrophobicContact CB-CG2 4Å; V329-V331 HydrophobicContact CG1-CG2 3.52Å; V329-V331 PolarHBondContact O-N 3.1Å; V331-D333 PolarHBondContact O-N 3.2Å
332E47.3Very low52.6Low180 Ų180106.7 Ų106.784%0.84162%0.623SS**  trans-60.3106.3159.1-73.9-171.2154.400107.6G334E332-G334 PolarHBondContact O-N 3.31Å; E332-G334 VanDerWaalsContact O-N 3.08Å
333D41.8Very low50Low139 Ų139112.1 Ų112.174%0.74366%0.661SS**  trans-70.9102-176.8-145.60.6000108.7V331 S335V331-D333 PolarHBondContact O-N 3.2Å; D333-S335 PolarHBondContact O-N 3.12Å
334G44.6Very low47.5Very low77 Ų77112 Ų11279%0.79467%0.667SS**  trans-7372.3171.100000110.8E332E332-G334 PolarHBondContact O-N 3.31Å; E332-G334 VanDerWaalsContact O-N 3.08Å
335S35.7Very low45.1Very low94 Ų94118.4 Ų118.466%0.65769%0.687SS**  trans-117.786.1158.174.90000109.1D333 S337D333-S335 PolarHBondContact O-N 3.12Å; S335-S337 PolarHBondContact O-N 2.74Å
336V30.5Very low42.7Very low137 Ų137121.9 Ų121.983%0.8371%0.711SS**  trans-80.1100.3169.1-178.50000107.1
337S29.8Very low40.7Very low96 Ų96123.6 Ų123.667%0.67171%0.714SS**  trans-78.2116.6158-173.30000107.6S335 Q339S335-S337 PolarHBondContact O-N 2.74Å; S337-Q339 PolarHBondContact O-N 3.37Å; S337-Q339 VanDerWaalsContact O-N 3.13Å
338L37.3Very low38.5Very low155 Ų155129 Ų12981%0.81274%0.743SS**  trans-66.5103.7170.2-94.8154.5000108.8
339Q32.9Very low37.1Very low173 Ų173125.3 Ų125.381%0.80874%0.738SS**  trans-132.1109.3157-68.5-171.4-2.200108.6S337S337-Q339 PolarHBondContact O-N 3.37Å; S337-Q339 VanDerWaalsContact O-N 3.13Å
340V34Very low35.6Very low120 Ų120127.9 Ų127.973%0.72776%0.763SS**PPolyproline II helixtrans-79.8129.2169.4174.40000107.6
341P34.5Very low34.5Very low115 Ų115125.4 Ų125.475%0.74776%0.759SS**PPolyproline II helixtrans-98.2120.2155.95.814.6000109.3
342V32.3Very low33.3Very low125 Ų125126.3 Ų126.376%0.75877%0.769SS**PPolyproline II helixtrans-73.1130.9159.3165.50000107.7
343S30.8Very low32.6Very low113 Ų113125.6 Ų125.679%0.7977%0.765SS**  trans-140.9100159.8-55.20000109.2
344N30.5Very low32.3Very low146 Ų146125.8 Ų125.878%0.78176%0.761SS**  trans-72.1143.6145.7-86.4-8.5000107.2
345E29.7Very low31.8Very low192 Ų192129.9 Ų129.990%0.89776%0.76SS**  175.7138.5119.8-76.9-113.1130.800109.6
346T29.2Very low31.7Very low129 Ų129132.5 Ų132.579%0.79177%0.766SS**  trans-89.4151.1-174.5-43.70000110.2
347S30.1Very low31.9Very low98 Ų98131.2 Ų131.269%0.68576%0.755SS**  trans132.8110.8131-52.40000117
348N30.2Very low32.4Very low151 Ų151136.5 Ų136.581%0.80776%0.76SS**  85.2133.9122.4-79.62.4000125.3
349S30.4Very low32.5Very low116 Ų116134.3 Ų134.381%0.81176%0.758SS**  trans94.7133.9147.8-32.90000116
350A28.5Very low32.9Very low88 Ų88134.5 Ų134.573%0.72776%0.759SS**  cis-164.8159.210.600000112.5
351S29.1Very low33Very low113 Ų113135.1 Ų135.179%0.7976%0.763SS**  trans44.2138.1151.474.20000122
352S30.9Very low33.1Very low96 Ų96134.1 Ų134.167%0.67176%0.764SS**  -177.1146.868.335.50000113.1
353H32.3Very low33.3Very low164 Ų164133.7 Ų133.776%0.75977%0.767SS**  trans50.3145.3146.2-72.9-103.1000120.1
354E34.4Very low33.7Very low144 Ų144133.8 Ų133.867%0.67377%0.767SS**  cis-167.6148.74.2-125.8169.3-156.300109.1
355E35.7Very low33.9Very low162 Ų162129.9 Ų129.976%0.75776%0.762SS**  trans42.1133.3143.4-67.5-178.1164.700126.1
356D33.8Very low34.2Very low149 Ų149131.4 Ų131.480%0.79776%0.761SS**  trans136.7140.6134.5-86.2-27.9000111.9
357N34Very low34.4Very low111 Ų111129.3 Ų129.359%0.59476%0.757SS**  cis-176.5156-11.9-169.4-16.1000105.2
358R39.6Very low34.6Very low206 Ų206130.3 Ų130.378%0.77776%0.763SS**  trans84.793.2161.5-56.7-169.4161.187.61.2121
359S39.4Very low34.8Very low110 Ų110129.8 Ų129.877%0.76977%0.766SS**  38.2146111.1-41.90000124.3
360E42.1Very low35Very low176 Ų176133.4 Ų133.482%0.82277%0.77SS**  trans104.698154.2-55.3-162164.800116.1
361T36.1Very low35.1Very low134 Ų134133 Ų13382%0.82277%0.774SS**  52.912487.958.80000112.6
362A36.3Very low35.3Very low93 Ų93131.7 Ų131.777%0.76977%0.77SS**  cis-162139.540.100000108.3
363S36.1Very low35.3Very low116 Ų116135.1 Ų135.181%0.81178%0.781SS**  95.9140.576.8-165.10000114.9
364S39.7Very low35.5Very low115 Ų115135.9 Ų135.980%0.80479%0.785SS**  trans80.3108.5-174.973.20000114.8
365G33.6Very low36.7Very low64 Ų64133.4 Ų133.466%0.6678%0.781SS**  cis74.9116.636.100000107.4
366Y37.3Very low37.8Very low225 Ų225130.9 Ų130.988%0.88278%0.779SS**  cis-175.4174.748.150.8-89.3000105.9
367A33.3Very low37.5Very low85 Ų85131.7 Ų131.770%0.70278%0.782SS**  cis-178.9137.1-28.300000105.8
368S34.3Very low37.5Very low118 Ų118134.9 Ų134.983%0.82579%0.794SS**  trans178.2131.4152.2-80.10000105
369V35Very low37Very low141 Ų141134.7 Ų134.786%0.85580%0.802SS**  -162133.369.5171.40000109.3
370Q34.1Very low36.6Very low191 Ų191136.6 Ų136.689%0.89380%0.798SS**  trans-76.3153.9160.6-68.9168.1-28.900109.2
371G30.4Very low35.9Very low79 Ų79134.5 Ų134.581%0.81480%0.797SS**  cis178.1-168.115.600000109.9
372A32.2Very low35.7Very low87 Ų87135.3 Ų135.372%0.71979%0.792SS**  trans-140.7140.4174.300000110.6
373D32.7Very low35.4Very low167 Ų167135 Ų13589%0.89378%0.783SS**  trans75.1131.1144.8-55.6-29.4000124.2
374E34.7Very low35.1Very low180 Ų180134.8 Ų134.884%0.84178%0.778SS**  trans-64.2-166.1173.9-117.6-16995.500115.1
375P59.8Low34.7Very low93 Ų93135.8 Ų135.860%0.60477%0.774SS**  cis-133-143.1-37.436.4-14.7000110.3
376P58.6Low34.6Very low108 Ų108140.8 Ų140.870%0.70178%0.78SS**  cis-140.8175.9-10.937.3-16.3000117.1
377L29.5Very low34.2Very low166 Ų166137.2 Ų137.287%0.86978%0.776SS**  trans-174.9152.1130.5-103.7154.7000114.2
378E34Very low34.1Very low178 Ų178139.9 Ų139.983%0.83278%0.778SS**  trans-89.4159.7-157.1-54.7171.413400115.7
379E28.3Very low34Very low203 Ų203142.3 Ų142.395%0.94978%0.776SS**  -163.7162.8120.7-128.9-178.2179.600112.7
380H30.7Very low33.7Very low149 Ų149142 Ų14269%0.6977%0.769SS**  trans-113.5157.2-145.8-166.754.4000112.3
381V28.3Very low33.5Very low132 Ų132138.9 Ų138.980%0.876%0.763SS**  167.7127.5129.3164.80000111.8
382Q31.4Very low33.5Very low152 Ų152141.3 Ų141.371%0.7176%0.757SS**  trans-57.9179.6168.5-85.6155.5-49.300114.7
383S29.6Very low33.5Very low85 Ų85144.7 Ų144.759%0.59476%0.758SS**  cis-177.9162.7-28.463.70000106.7
384T30.4Very low33.4Very low113 Ų113144.8 Ų144.869%0.69375%0.753SS**  trans76.2122.7144.348.10000123.9
385N30.9Very low33.2Very low135 Ų135140 Ų14072%0.72274%0.744SS**  111.1110.4128.8-65.5-1.2000122.1
386E32Very low31.7Very low169 Ų169143 Ų14379%0.7976%0.755SS**  30.9125.1122.5-56.1-172.9139.700122.7
387N28.7Very low30.3Very low151 Ų151142.3 Ų142.381%0.80775%0.752SS**  168.7117.5123.7-91.5-47.6000108.8
388L30.4Very low30.4Very low140 Ų140141 Ų14173%0.73375%0.751SS**  67.9105.870.6-141.393000115.2
389Q32.2Very low30.2Very low170 Ų170138 Ų13879%0.79475%0.75SS**  159.9121.5120-89.3175.5-24.400110.9
390L28.6Very low30.4Very low134 Ų134134.2 Ų134.270%0.70274%0.741SS**  76.8122.468.4-132113000113.9
391V29.4Very low30.5Very low125 Ų125134 Ų13476%0.75874%0.744SS**  trans167.1101.1134174.40000105.9
392N30.2Very low30.7Very low130 Ų130133.6 Ų133.670%0.69574%0.742SS**  64.6120.577.7-78.30.6000116.9
393H32.2Very low31.1Very low159 Ų159132.1 Ų132.174%0.73674%0.743SS**  -176115124.5-96.6-71.3000106.9
394E31.3Very low31.8Very low169 Ų169134 Ų13479%0.7975%0.754SS**  59.5139.589.3-76.3-175.514400113.3
395A30Very low31.9Very low79 Ų79136.8 Ų136.865%0.65376%0.758SS**  cis-170.4150.6-3.200000106.5
396N28.4Very low32.1Very low156 Ų156135.1 Ų135.183%0.83475%0.752SS**  160.8125.2126-97.74.9000115.5
397S29.9Very low32.2Very low93 Ų93135 Ų13565%0.6576%0.757SS**  trans-19.2137.1152.555.10000122.6
398V31.8Very low32.5Very low138 Ų138134 Ų13484%0.83675%0.752SS**  60.8119.7122.6-173.50000120.7
399S30.3Very low33.3Very low116 Ų116132.6 Ų132.681%0.81175%0.751SS**  -168132.3125.154.20000112.3
400V32.8Very low33.2Very low124 Ų124130.1 Ų130.175%0.75275%0.748SS**  trans-93.8140.3166.1174.90000107.2
401D31.1Very low33.5Very low143 Ų143130.4 Ų130.477%0.76574%0.744SS**  166.5138.4126.2-99.1-31.6000115.3
402V33.6Very low33.7Very low124 Ų124132.4 Ų132.475%0.75275%0.745SS**  trans78.3123.1132.6178.20000121.8
403V39.3Very low34Very low121 Ų121132.9 Ų132.973%0.73374%0.743SS**  trans-58.7156.8163.2174.20000112.6
404P44.3Very low34.1Very low126 Ų126133.4 Ų133.482%0.81875%0.751SS**  trans-122.5146142.532.3-19.8000113.3
405H31.6Very low34.4Very low171 Ų171132.2 Ų132.279%0.79275%0.745SS**  trans-104.1133177.3-165.917.7000108.3
406V36.9Very low34.7Very low99 Ų99133.6 Ų133.660%0.675%0.746SS**  trans52.6127.7149171.20000119.8
407D33.1Very low35.8Very low167 Ų167131.4 Ų131.489%0.89374%0.74SS**  -145.7137.1125.7-87.6-39.1000110.6
408N34.3Very low36.1Very low129 Ų129134.1 Ų134.169%0.6975%0.747SS**  trans-109.3153177.2-178.944.2000108.7
409P47.7Very low36.3Very low111 Ų111135.3 Ų135.372%0.72174%0.744SS**  trans-130.6117.1141.429.7-13.4000112.7
410T30.5Very low36.5Very low119 Ų119137 Ų13773%0.7374%0.739SS**  18.1136.7112-37.30000115.3
411F33.9Very low36.6Very low139 Ų139137.2 Ų137.261%0.6174%0.741SS**  cis177.3146.910.6170.2-106.5000105.9E413F411-E413 HydrophobicContact CE1-CG 3.93Å; F411-E413 WeakPolarHBondContact CE1-OE2 3.44Å; F411-E413 HydrophobicContact CE2-CG 3.77Å; F411-E413 HydrophobicContact CZ-CG 3.45Å; F411-E413 VanDerWaalsContact CZ-CG 3.45Å; F411-E413 WeakPolarHBondContact CZ-OE1 3.34Å; F411-E413 WeakPolarHBondContact CZ-OE2 3.47Å
412E35.6Very low36.7Very low168 Ų168134.6 Ų134.679%0.78574%0.739SS**  178.2116.6109.8-86.5-178.1165.100105.5
413E35.3Very low37.1Very low140 Ų140135.2 Ų135.265%0.65474%0.743SS**  68.4111.486.9-81.9-171.8160.800115.2F411F411-E413 HydrophobicContact CE1-CG 3.93Å; F411-E413 WeakPolarHBondContact CE1-OE2 3.44Å; F411-E413 HydrophobicContact CE2-CG 3.77Å; F411-E413 HydrophobicContact CZ-CG 3.45Å; F411-E413 VanDerWaalsContact CZ-CG 3.45Å; F411-E413 WeakPolarHBondContact CZ-OE1 3.34Å; F411-E413 WeakPolarHBondContact CZ-OE2 3.47Å
414D33.9Very low37Very low169 Ų169140.4 Ų140.490%0.90475%0.749SS**  -154.1144.7121.7-152.61000110.9
415E39Very low37Very low144 Ų144143.4 Ų143.467%0.67375%0.752SS**  trans-107.7140.5-157.6-91-157.3135.600113.9
416T35.9Very low37.5Very low108 Ų108142.9 Ų142.966%0.66375%0.754SS**  trans65.3171.7133.572.40000120.9
417P50.2Low38Very low110 Ų110147.9 Ų147.971%0.71477%0.767SS**  cis-131.7148.4-4.5196.1000117.2
418D37.8Very low38.7Very low150 Ų150149 Ų14980%0.80279%0.788SS**  38.5149.4118.9-78.5-25.5000127
419Q35.1Very low38.9Very low164 Ų164150 Ų15077%0.76679%0.793SS**  trans89.7112150.2-83.9177.8-23.100119.5
420E34.9Very low38.4Very low152 Ų152152.1 Ų152.171%0.7180%0.797SS**  9813555.3-158.1-171.1174.100112.1
421T33.6Very low38.9Very low127 Ų127153.9 Ų153.978%0.77980%0.801SS**  trans105.1133.2156.3660000121.6
422A35Very low39.2Very low89 Ų89154.8 Ų154.874%0.73681%0.812SS**  trans98.495.6140.700000120.5
423V41Very low39.4Very low136 Ų136153.9 Ų153.982%0.82481%0.814SS**  28.5122.5116-174.60000117.7
424R37.8Very low39.7Very low231 Ų231154.9 Ų154.987%0.87282%0.824SS**  -173.1124.3127.7-103.6165.9-173.3-174.93113.4
425E42.9Very low40.1Very low189 Ų189153.9 Ų153.988%0.88382%0.819SS**  trans-55.3137.1150.7-70.2173.7117.900110.3
426I42.2Very low40.2Very low159 Ų159154.6 Ų154.682%0.81583%0.83SS**  trans-146.5126.3141.3-59.2-172.9000109.4
427K48.3Very low40.5Very low204 Ų204158.5 Ų158.589%0.88784%0.844SS**  trans-46.3140.3164-107.2170.6170.5174.90114.1
428S47.4Very low39.7Very low191 Ų191162.9 Ų162.9100%1.33686%0.856SS**  trans-1520132.81780000109.4

Retrieved 428 of 428 residues in 190.1 ms (Link to these results)