A0A096NXH9_PAPAN Loading...

Cell cycle checkpoint protein RAD1

Component of the 9-1-1 cell-cycle checkpoint response complex that plays a major role in DNA repair. The 9-1-1 complex is recruited to DNA lesion upon damage by the RAD17-replication factor C (RFC) clamp loader complex. Acts then as a sliding clamp platform on DNA for several proteins involved in long-patch base excision repair (LP-BER). The 9-1-1 complex stimulates DNA polymerase beta (POLB) activity by increasing its affinity for the 3'-OH end of the primer-template and stabilizes POLB to those sites where LP-BER proceeds; endonuclease FEN1 cleavage activity on substrates with double, nick, or gap flaps of distinct sequences and lengths; and DNA ligase I (LIG1) on long-patch base excision repair substrates. The 9-1-1 complex is necessary for the recruitment of RHNO1 to sites of double-stranded breaks (DSB) occurring during the S phase.

AlphaFold DB (O60671), UniProt , Accession A0A096NXH9, Species PAPAN (Papio anubis, Olive baboon), Gene RAD1, Length 282 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	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
1	M	45.2	Very low	51.8	Low	167 Å²	167	95 Å²	95	82%	0.823	48%	0.48	S	S	*	.				0	115.6	0	-145.9	176.5	166	0	0	105.7
2	P	49.2	Very low	52.9	Low	63 Å²	63	88.3 Å²	88.3	41%	0.409	45%	0.447	S	S	.	.			trans	-64.3	150.2	-174.3	8.3	-6.9	0	0	0	111.6	L4 T5 E124	P2-L4 PolarHBondContact O-N 3.46Å; P2-L4 VanDerWaalsContact O-N 3.11Å; P2-T5 PolarHBondContact O-N 3.48Å; P2-T5 PolarHBondContact O-OG1 3.3Å; P2-E124 VanDerWaalsContact CB-OE2 3.28Å; P2-E124 WeakPolarHBondContact CB-OE2 3.19Å
3	L	51.5	Low	54.4	Low	109 Å²	109	92.6 Å²	92.6	57%	0.571	47%	0.472	S	S	*	.	H	α-helix	trans	-56.5	-31.9	-174.9	-152.9	81.9	0	0	0	111.7	T5 Q6	L3-T5 PolarHBondContact O-N 3.1Å; L3-Q6 PolarHBondContact O-N 3.11Å
4	L	52.6	Low	56.8	Low	20 Å²	20	94.2 Å²	94.2	11%	0.105	48%	0.477	C	S	.	.	H	α-helix	trans	-61.4	-33	177.5	-102.2	145	0	0	0	115.1	P2 Q6 I8 F122 E124 V129	P2-L4 PolarHBondContact O-N 3.46Å; P2-L4 VanDerWaalsContact O-N 3.11Å; L4-Q6 VanDerWaalsContact C-N 3.33Å; L4-Q6 PolarHBondContact O-N 3.05Å; L4-I8 HydrophobicContact CD2-CD1 3.79Å; L4-F122 HydrophobicContact CD1-CB 4.28Å; L4-F122 HydrophobicContact CD2-CB 3.31Å; L4-F122 HydrophobicContact CD2-CD1 3.88Å; L4-F122 HydrophobicContact CD2-CG 3.72Å; L4-F122 HydrophobicContact CG-CB 4.4Å; L4-E124 HydrophobicContact CD1-CB 3.66Å; L4-E124 HydrophobicContact CD1-CG 4.41Å; L4-E124 WeakPolarHBondContact CD1-OE2 3.21Å; L4-V129 HydrophobicContact CD1-CG1 3.9Å; L4-V129 HydrophobicContact CD1-CG2 4.11Å; L4-V129 HydrophobicContact CG-CG1 4.47Å
5	T	53	Low	59.2	Low	40 Å²	40	88.9 Å²	88.9	25%	0.245	45%	0.449	C	S	.	.	H	α-helix	trans	-72.2	-24.4	178.7	28.1	0	0	0	0	113.4	P2 L3 Q9	P2-T5 PolarHBondContact O-N 3.48Å; P2-T5 PolarHBondContact O-OG1 3.3Å; L3-T5 PolarHBondContact O-N 3.1Å; T5-Q9 WeakPolarHBondContact O-CG 3.28Å; T5-Q9 PolarHBondContact O-NE2 3.35Å
6	Q	48.8	Very low	61.5	Low	126 Å²	126	84.1 Å²	84.1	59%	0.589	43%	0.425	S	S	*	.	H	α-helix	trans	-90.5	-33.7	-174.2	-70.4	-176.4	-13.1	0	0	113.7	L3 L4	L3-Q6 PolarHBondContact O-N 3.11Å; L4-Q6 VanDerWaalsContact C-N 3.33Å; L4-Q6 PolarHBondContact O-N 3.05Å
7	Q	50	Low	63.6	Low	156 Å²	156	79.3 Å²	79.3	73%	0.729	40%	0.401	S	S	*	.	H	α-helix	trans	-82.7	-15.7	-173.4	-73.8	-175.2	-16.2	0	0	114.5
8	I	52.4	Low	65.4	Low	16 Å²	16	74.9 Å²	74.9	8%	0.082	38%	0.379	C	S	.	.	H	α-helix	trans	-121.2	-10.8	-168.7	-46.3	170	0	0	0	113.1	L4 D10 E11 Y15 F122	L4-I8 HydrophobicContact CD2-CD1 3.79Å; I8-D10 PolarHBondContact O-N 3.27Å; I8-D10 VanDerWaalsContact O-N 3.1Å; I8-E11 HydrophobicContact CG2-CB 4.46Å; I8-E11 PolarHBondContact O-N 2.68Å; I8-Y15 HydrophobicContact CG2-CE2 4.45Å; I8-F122 HydrophobicContact CD1-CD1 3.98Å; I8-F122 HydrophobicContact CD1-CE1 3.77Å; I8-F122 HydrophobicContact CD1-CE2 4.33Å; I8-F122 HydrophobicContact CD1-CG 4.37Å; I8-F122 HydrophobicContact CD1-CZ 3.96Å
9	Q	51.9	Low	67.1	Low	104 Å²	104	71 Å²	71	49%	0.486	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-56.3	-30.3	179.4	-89.7	175.1	1.3	0	0	113.5	T5 E11	T5-Q9 WeakPolarHBondContact O-CG 3.28Å; T5-Q9 PolarHBondContact O-NE2 3.35Å; Q9-E11 PolarHBondContact O-N 3.42Å
10	D	51.5	Low	68.6	Low	157 Å²	157	68.4 Å²	68.4	84%	0.84	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-73.2	-11.5	178.4	-69.6	-27	0	0	0	113.7	I8	I8-D10 PolarHBondContact O-N 3.27Å; I8-D10 VanDerWaalsContact O-N 3.1Å
11	E	63.5	Low	69.8	Low	87 Å²	87	65.3 Å²	65.3	41%	0.407	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-106.4	-0.6	179.5	-67.3	-172.2	165.3	0	0	114	I8 Q9 D13 Q14 Y15	I8-E11 HydrophobicContact CG2-CB 4.46Å; I8-E11 PolarHBondContact O-N 2.68Å; Q9-E11 PolarHBondContact O-N 3.42Å; E11-D13 PolarHBondContact O-N 3.23Å; E11-D13 VanDerWaalsContact O-N 3.14Å; E11-Q14 WeakPolarHBondContact O-CB 3.36Å; E11-Q14 PolarHBondContact O-N 2.65Å; E11-Y15 HydrophobicContact CB-CE2 3.97Å; E11-Y15 VanDerWaalsContact O-CD2 3.27Å; E11-Y15 WeakPolarHBondContact O-CD2 3.41Å; E11-Y15 WeakPolarHBondContact O-CE2 3.27Å; E11-Y15 PolarHBondContact OE2-OH 2.96Å
12	D	65.1	Low	72.1	Confident	15 Å²	15	61 Å²	61	8%	0.08	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-56.7	-34.1	-174.1	-86.1	9.2	0	0	0	113.5	Q14 Y15 K74 Q76 R109	D12-Q14 PolarHBondContact O-N 3.43Å; D12-Q14 VanDerWaalsContact O-N 3.12Å; D12-Y15 PolarHBondContact O-N 2.73Å; D12-Y15 VanDerWaalsContact O-N 3.16Å; D12-K74 IonicContact OD2-NZ 2.65Å; D12-K74 PolarHBondContact OD2-NZ 3Å; D12-Q76 PolarHBondContact O-NE2 2.87Å; D12-R109 IonicContact OD1-CZ 3.56Å; D12-R109 IonicContact OD1-NH1 2.73Å; D12-R109 IonicContact OD1-NH2 3.7Å; D12-R109 PolarHBondContact OD1-NH2 3.15Å; D12-R109 IonicContact OD2-NH2 3.61Å
13	D	72.8	Confident	74.1	Confident	144 Å²	144	58 Å²	58	77%	0.77	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-65.2	-13.5	179.2	-71.3	-19.2	0	0	0	112.9	E11 Q76	E11-D13 PolarHBondContact O-N 3.23Å; E11-D13 VanDerWaalsContact O-N 3.14Å; D13-Q76 PolarHBondContact O-NE2 3.16Å
14	Q	87.1	Confident	76.1	Confident	115 Å²	115	53.1 Å²	53.1	54%	0.537	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-90.5	-8.7	178.3	-57.3	-180	25.1	0	0	113.7	E11 D12	E11-Q14 WeakPolarHBondContact O-CB 3.36Å; E11-Q14 PolarHBondContact O-N 2.65Å; D12-Q14 PolarHBondContact O-N 3.43Å; D12-Q14 VanDerWaalsContact O-N 3.12Å
15	Y	93.9	Very high	77.9	Confident	15 Å²	15	54.3 Å²	54.3	6%	0.059	27%	0.271	C	S	.	.			trans	-104.7	118.3	-173.7	-63.6	-76.3	0	0	0	112.4	I8 E11 D12 L17 V18 Q76 C111 Y112 Q113	I8-Y15 HydrophobicContact CG2-CE2 4.45Å; E11-Y15 HydrophobicContact CB-CE2 3.97Å; E11-Y15 VanDerWaalsContact O-CD2 3.27Å; E11-Y15 WeakPolarHBondContact O-CD2 3.41Å; E11-Y15 WeakPolarHBondContact O-CE2 3.27Å; E11-Y15 PolarHBondContact OE2-OH 2.96Å; D12-Y15 PolarHBondContact O-N 2.73Å; D12-Y15 VanDerWaalsContact O-N 3.16Å; Y15-L17 PolarHBondContact O-N 3.12Å; Y15-V18 HydrophobicContact CD2-CG2 4.33Å; Y15-V18 HydrophobicContact CG-CG2 4.16Å; Y15-Q76 WeakPolarHBondContact O-CG 3.2Å; Y15-Q76 PolarHBondContact O-NE2 3.37Å; Y15-C111 HydrophobicContact CD1-CB 3.56Å; Y15-C111 HydrophobicContact CD2-CB 4.39Å; Y15-C111 HydrophobicContact CE1-CB 3.55Å; Y15-C111 HydrophobicContact CE2-CB 4.4Å; Y15-C111 HydrophobicContact CG-CB 4Å; Y15-Y112 CarbonylContact C-O 3.59Å; Y15-Q113 HydrophobicContact CD1-CB 4.32Å; Y15-Q113 HydrophobicContact CD1-CG 3.33Å; Y15-Q113 HydrophobicContact CE1-CG 3.36Å; Y15-Q113 HydrophobicContact CG-CG 4.34Å
16	S	95.2	Very high	79.7	Confident	11 Å²	11	52.7 Å²	52.7	8%	0.077	26%	0.261	C	S	.	.	S	Bend	trans	-59.9	-30	172	-58.3	0	0	0	0	113.1	V75 Q76 E77 Y112 Q113	S16-V75 CarbonylContact O-C 3.59Å; S16-V75 WeakPolarHBondContact O-CA 3.32Å; S16-Q76 PolarHBondContact O-N 2.94Å; S16-E77 WeakPolarHBondContact CB-OE1 3.39Å; S16-E77 PolarHBondContact OG-OE1 3.14Å; S16-Y112 PolarHBondContact N-O 3.47Å; S16-Q113 PolarHBondContact OG-O 2.84Å
17	L	96.9	Very high	81.8	Confident	3 Å²	3	47 Å²	47	2%	0.016	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	129.3	175.3	165.3	71	0	0	0	111	Y15 A44 F73 K74 V75 V80 F82 C111 Y112	Y15-L17 PolarHBondContact O-N 3.12Å; L17-A44 HydrophobicContact CD1-CB 4.06Å; L17-A44 HydrophobicContact CD2-CB 4.04Å; L17-F73 HydrophobicContact CD1-CE2 4.06Å; L17-F73 HydrophobicContact CD1-CZ 4.23Å; L17-K74 WeakPolarHBondContact CA-O 3.48Å; L17-V75 HydrophobicContact CD1-CG2 3.84Å; L17-V80 HydrophobicContact CB-CG1 4.39Å; L17-F82 HydrophobicContact CD2-CE1 3.99Å; L17-F82 HydrophobicContact CD2-CZ 4.34Å; L17-C111 WeakPolarHBondContact O-CA 3.36Å; L17-Y112 PolarHBondContact N-O 2.81Å; L17-Y112 PolarHBondContact O-N 3.01Å
18	V	97.4	Very high	83.9	Confident	1 Å²	1	40 Å²	40	1%	0.006	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	129.4	169.9	-178	0	0	0	0	109	Y15 E72 F73 K74 M110	Y15-V18 HydrophobicContact CD2-CG2 4.33Å; Y15-V18 HydrophobicContact CG-CG2 4.16Å; V18-E72 HydrophobicContact CG1-CG 4.46Å; V18-F73 CarbonylContact O-C 3.55Å; V18-F73 WeakPolarHBondContact O-CA 3.09Å; V18-K74 HydrophobicContact CB-CB 4.34Å; V18-K74 PolarHBondContact N-O 2.96Å; V18-K74 PolarHBondContact O-N 3.16Å; V18-M110 CarbonylContact C-O 3.56Å; V18-M110 WeakPolarHBondContact CA-O 3.39Å
19	A	97.2	Very high	85.8	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	129.1	178.1	0	0	0	0	0	111.6	I49 F70 E72 F73 M110	A19-I49 HydrophobicContact CB-CD1 4.43Å; A19-F70 HydrophobicContact CB-CD1 3.79Å; A19-F70 HydrophobicContact CB-CE1 3.88Å; A19-F70 HydrophobicContact CB-CG 4.41Å; A19-E72 CarbonylContact C-O 3.47Å; A19-E72 VanDerWaalsContact CA-O 3.25Å; A19-E72 WeakPolarHBondContact CA-O 3.4Å; A19-F73 HydrophobicContact CB-CD2 3.75Å; A19-F73 HydrophobicContact CB-CE2 4.1Å; A19-M110 HydrophobicContact CB-CB 4.49Å; A19-M110 HydrophobicContact CB-CE 3.75Å; A19-M110 PolarHBondContact N-O 3.5Å; A19-M110 PolarHBondContact O-N 2.92Å
20	S	96.8	Very high	87.8	Confident	18 Å²	18	36.7 Å²	36.7	13%	0.126	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	139.1	-177.7	-56.2	0	0	0	0	111.8	F70 Q71 E72 L108 R109	S20-F70 CarbonylContact O-C 3.53Å; S20-F70 WeakPolarHBondContact O-CA 3.48Å; S20-F70 WeakPolarHBondContact O-CB 3.47Å; S20-Q71 PolarHBondContact O-N 3.37Å; S20-Q71 PolarHBondContact O-OE1 3.24Å; S20-Q71 VanDerWaalsContact O-OE1 3.05Å; S20-E72 PolarHBondContact N-O 3.08Å; S20-E72 PolarHBondContact OG-OE2 3.04Å; S20-L108 CarbonylContact C-O 3.51Å; S20-L108 VanDerWaalsContact CA-O 3.29Å; S20-L108 WeakPolarHBondContact CA-O 3.3Å; S20-R109 WeakPolarHBondContact OG-CG 3.35Å
21	L	94.5	Very high	90	Very high	5 Å²	5	29.3 Å²	29.3	3%	0.026	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	135.7	175	-71.4	168.6	0	0	0	109.8	L27 I69 F70 Q71 A107 L108	L21-L27 HydrophobicContact CD1-CB 3.54Å; L21-L27 HydrophobicContact CD1-CD2 4.32Å; L21-L27 HydrophobicContact CD1-CG 4.47Å; L21-I69 HydrophobicContact CD2-CG2 4.04Å; L21-F70 HydrophobicContact CD1-CD1 4.14Å; L21-F70 HydrophobicContact CD1-CE1 3.89Å; L21-F70 HydrophobicContact CD2-CD1 3.76Å; L21-F70 HydrophobicContact CD2-CE1 4.24Å; L21-F70 HydrophobicContact CD2-CG 4.3Å; L21-F70 HydrophobicContact CG-CD1 3.66Å; L21-F70 HydrophobicContact CG-CE1 3.96Å; L21-Q71 VanDerWaalsContact C-OE1 3.29Å; L21-A107 CarbonylContact O-C 3.48Å; L21-A107 VanDerWaalsContact O-CA 3.27Å; L21-A107 WeakPolarHBondContact O-CA 3.19Å; L21-L108 HydrophobicContact CB-CB 4.36Å; L21-L108 HydrophobicContact CD1-CD2 4.44Å; L21-L108 PolarHBondContact N-O 2.86Å; L21-L108 PolarHBondContact O-N 3.5Å
22	D	92.5	Very high	91.5	Very high	76 Å²	76	29 Å²	29	41%	0.406	15%	0.148	S	C	.	.	S	Bend	trans	-76	-26.8	167.2	57.2	-4.9	0	0	0	112.6	Q71 T106 A107	D22-Q71 PolarHBondContact OD1-NE2 3.36Å; D22-Q71 PolarHBondContact OD2-NE2 2.92Å; D22-T106 CarbonylContact O-C 3.41Å; D22-A107 WeakPolarHBondContact O-CA 3.49Å
23	N	92	Very high	93	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	14%	0.144	C	C	.	.			trans	-128.5	98.5	178.8	-176.3	8.1	0	0	0	110.5	R25 N26 L105	N23-R25 PolarHBondContact O-N 3.06Å; N23-R25 VanDerWaalsContact OD1-CB 3.29Å; N23-R25 WeakPolarHBondContact OD1-CB 3.41Å; N23-R25 PolarHBondContact OD1-N 3.06Å; N23-R25 PolarHBondContact OD1-NE 2.78Å; N23-N26 WeakPolarHBondContact O-CB 3.34Å; N23-N26 PolarHBondContact O-N 2.88Å; N23-N26 VanDerWaalsContact O-N 3.09Å; N23-L105 HydrophobicContact CB-CD2 4.29Å
24	V	93.3	Very high	94.1	Very high	5 Å²	5	21.5 Å²	21.5	3%	0.03	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-21.1	178.3	73	0	0	0	0	113.9	N26 L27 S28 L93 T106 L108 L123	V24-N26 PolarHBondContact O-N 2.99Å; V24-L27 PolarHBondContact O-N 3.13Å; V24-L27 VanDerWaalsContact O-N 3.16Å; V24-S28 PolarHBondContact O-N 3.16Å; V24-S28 PolarHBondContact O-OG 2.91Å; V24-L93 HydrophobicContact CG2-CB 3.98Å; V24-L93 HydrophobicContact CG2-CD1 4.5Å; V24-L93 HydrophobicContact CG2-CD2 3.68Å; V24-L93 HydrophobicContact CG2-CG 4.23Å; V24-T106 HydrophobicContact CB-CG2 4.34Å; V24-T106 HydrophobicContact CG1-CG2 3.89Å; V24-T106 PolarHBondContact N-O 3.39Å; V24-L108 HydrophobicContact CB-CB 4.16Å; V24-L108 HydrophobicContact CG2-CB 3.99Å; V24-L108 HydrophobicContact CG2-CD2 4.04Å; V24-L108 HydrophobicContact CG2-CG 4.48Å; V24-L123 HydrophobicContact CG2-CD2 4.26Å
25	R	90.3	Very high	94.6	Very high	46 Å²	46	18 Å²	18	17%	0.174	9%	0.091	C	C	.	.	H	α-helix	trans	-65.6	-27.8	179.4	-62.4	-176.5	-70.4	147.4	1.6	112.5	N23 L27 S28 T29 E260	N23-R25 PolarHBondContact O-N 3.06Å; N23-R25 VanDerWaalsContact OD1-CB 3.29Å; N23-R25 WeakPolarHBondContact OD1-CB 3.41Å; N23-R25 PolarHBondContact OD1-N 3.06Å; N23-R25 PolarHBondContact OD1-NE 2.78Å; R25-L27 VanDerWaalsContact C-N 3.25Å; R25-L27 PolarHBondContact O-N 2.82Å; R25-S28 WeakPolarHBondContact CA-OG 3.34Å; R25-T29 WeakPolarHBondContact O-CB 3.27Å; R25-T29 PolarHBondContact O-N 2.76Å; R25-T29 PolarHBondContact O-OG1 2.78Å; R25-E260 IonicContact CZ-OE1 3.27Å; R25-E260 IonicContact CZ-OE2 3.29Å; R25-E260 IonicContact NH1-OE1 3.56Å; R25-E260 PolarHBondContact NH1-OE1 2.92Å; R25-E260 IonicContact NH1-OE2 2.86Å; R25-E260 PolarHBondContact NH1-OE2 2.85Å; R25-E260 IonicContact NH2-OE1 3.94Å; R25-E260 IonicContact NH2-OE2 2.87Å; R25-E260 PolarHBondContact NH2-OE2 3.05Å
26	N	90.3	Very high	94.6	Very high	6 Å²	6	19.1 Å²	19.1	3%	0.032	10%	0.096	C	C	.	.	H	α-helix	trans	-60.2	-38.7	174.6	-69.2	-20.9	0	0	0	111.4	N23 V24 I30 N259 D261	N23-N26 WeakPolarHBondContact O-CB 3.34Å; N23-N26 PolarHBondContact O-N 2.88Å; N23-N26 VanDerWaalsContact O-N 3.09Å; V24-N26 PolarHBondContact O-N 2.99Å; N26-I30 WeakPolarHBondContact O-CD1 3.47Å; N26-I30 WeakPolarHBondContact O-CG1 3.37Å; N26-N259 WeakPolarHBondContact OD1-CB 3.35Å; N26-N259 PolarHBondContact OD1-ND2 2.96Å; N26-D261 PolarHBondContact ND2-OD2 2.82Å; N26-D261 PolarHBondContact OD1-OD2 3.04Å
27	L	93.6	Very high	94.7	Very high	6 Å²	6	24.5 Å²	24.5	3%	0.031	12%	0.115	C	C	.	.	H	α-helix	trans	-81.3	-52.5	175.4	-177.8	63.3	0	0	0	112.1	L21 V24 R25 T29 I30 L31 I65 L93 L108 M110	L21-L27 HydrophobicContact CD1-CB 3.54Å; L21-L27 HydrophobicContact CD1-CD2 4.32Å; L21-L27 HydrophobicContact CD1-CG 4.47Å; V24-L27 PolarHBondContact O-N 3.13Å; V24-L27 VanDerWaalsContact O-N 3.16Å; R25-L27 VanDerWaalsContact C-N 3.25Å; R25-L27 PolarHBondContact O-N 2.82Å; L27-T29 VanDerWaalsContact C-N 3.31Å; L27-T29 PolarHBondContact O-N 2.9Å; L27-I30 PolarHBondContact O-N 3.06Å; L27-L31 HydrophobicContact CD1-CD1 3.95Å; L27-L31 HydrophobicContact CD1-CD2 4.45Å; L27-L31 HydrophobicContact CD1-CG 4.03Å; L27-L31 HydrophobicContact CD2-CD1 4.36Å; L27-L31 HydrophobicContact CG-CD1 3.8Å; L27-L31 HydrophobicContact CG-CG 4.2Å; L27-L31 WeakPolarHBondContact O-CG 3.29Å; L27-L31 PolarHBondContact O-N 3.14Å; L27-I65 HydrophobicContact CD1-CD1 4.03Å; L27-I65 HydrophobicContact CD1-CG1 4.08Å; L27-L93 HydrophobicContact CD2-CD1 3.95Å; L27-L93 HydrophobicContact CG-CD1 4.09Å; L27-L108 HydrophobicContact CD2-CD2 3.61Å; L27-M110 HydrophobicContact CD2-CE 3.93Å; L27-M110 HydrophobicContact CD2-SD 3.72Å
28	S	93.9	Very high	94.6	Very high	8 Å²	8	29.5 Å²	29.5	6%	0.056	14%	0.138	C	C	.	.	H	α-helix	trans	-64.6	-33.2	-171.7	61.1	0	0	0	0	113.2	V24 R25 L31 K32	V24-S28 PolarHBondContact O-N 3.16Å; V24-S28 PolarHBondContact O-OG 2.91Å; R25-S28 WeakPolarHBondContact CA-OG 3.34Å; S28-L31 PolarHBondContact O-N 2.82Å; S28-K32 WeakPolarHBondContact O-CB 3.38Å; S28-K32 WeakPolarHBondContact O-CG 3.41Å; S28-K32 PolarHBondContact O-N 3.02Å
29	T	92.4	Very high	94.6	Very high	46 Å²	46	31.7 Å²	31.7	28%	0.282	15%	0.148	S	C	.	.	H	α-helix	trans	-61.4	-45.7	175.5	-59	0	0	0	0	111.4	R25 L27 K32 A33 L237	R25-T29 WeakPolarHBondContact O-CB 3.27Å; R25-T29 PolarHBondContact O-N 2.76Å; R25-T29 PolarHBondContact O-OG1 2.78Å; L27-T29 VanDerWaalsContact C-N 3.31Å; L27-T29 PolarHBondContact O-N 2.9Å; T29-K32 PolarHBondContact O-N 2.94Å; T29-A33 PolarHBondContact O-N 3.29Å; T29-L237 HydrophobicContact CG2-CD1 3.8Å; T29-L237 HydrophobicContact CG2-CD2 3.81Å; T29-L237 HydrophobicContact CG2-CG 4.3Å; T29-L237 WeakPolarHBondContact O-CD1 3.45Å
30	I	94.5	Very high	94.6	Very high	5 Å²	5	31.8 Å²	31.8	3%	0.026	15%	0.149	C	C	.	.	H	α-helix	trans	-67.8	-43.2	179.7	-63.3	169.6	0	0	0	110.5	N26 L27 K32 A33 A63 I65 C265 V267	N26-I30 WeakPolarHBondContact O-CD1 3.47Å; N26-I30 WeakPolarHBondContact O-CG1 3.37Å; L27-I30 PolarHBondContact O-N 3.06Å; I30-K32 PolarHBondContact O-N 2.7Å; I30-A33 WeakPolarHBondContact O-CB 3.25Å; I30-A33 PolarHBondContact O-N 3.14Å; I30-A33 VanDerWaalsContact O-N 3.15Å; I30-A63 HydrophobicContact CG2-CB 3.39Å; I30-I65 HydrophobicContact CD1-CG1 3.98Å; I30-I65 HydrophobicContact CG2-CD1 4.24Å; I30-I65 HydrophobicContact CG2-CG1 4.27Å; I30-C265 HydrophobicContact CD1-CB 3.49Å; I30-C265 VanDerWaalsContact CD1-CB 3.49Å; I30-C265 WeakPolarHBondContact CD1-SG 3.34Å; I30-C265 HydrophobicContact CG1-CB 4.09Å; I30-V267 HydrophobicContact CG2-CG2 4.07Å
31	L	96.5	Very high	94.6	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.01	15%	0.148	C	C	.	.	H	α-helix	trans	-65.8	-37.9	178.2	-66.7	-175.1	0	0	0	112.4	L27 S28 A33 I34 H35 V51 L86 L89 L90 L93	L27-L31 HydrophobicContact CD1-CD1 3.95Å; L27-L31 HydrophobicContact CD1-CD2 4.45Å; L27-L31 HydrophobicContact CD1-CG 4.03Å; L27-L31 HydrophobicContact CD2-CD1 4.36Å; L27-L31 HydrophobicContact CG-CD1 3.8Å; L27-L31 HydrophobicContact CG-CG 4.2Å; L27-L31 WeakPolarHBondContact O-CG 3.29Å; L27-L31 PolarHBondContact O-N 3.14Å; S28-L31 PolarHBondContact O-N 2.82Å; L31-A33 PolarHBondContact O-N 2.9Å; L31-I34 HydrophobicContact CD2-CD1 4.42Å; L31-I34 VanDerWaalsContact O-CG1 3.29Å; L31-I34 WeakPolarHBondContact O-CG1 3.28Å; L31-I34 PolarHBondContact O-N 3.24Å; L31-H35 WeakPolarHBondContact O-CB 3.32Å; L31-H35 PolarHBondContact O-N 2.85Å; L31-V51 HydrophobicContact CD2-CB 3.94Å; L31-V51 HydrophobicContact CD2-CG1 4Å; L31-V51 HydrophobicContact CD2-CG2 3.78Å; L31-L86 HydrophobicContact CB-CD1 4.25Å; L31-L86 HydrophobicContact CD1-CD1 4.27Å; L31-L86 HydrophobicContact CD2-CD1 4.42Å; L31-L89 HydrophobicContact CD1-CD2 3.77Å; L31-L89 HydrophobicContact CD1-CG 4.3Å; L31-L90 HydrophobicContact CB-CD2 3.68Å; L31-L93 HydrophobicContact CD1-CD1 3.95Å
32	K	95.3	Very high	94.7	Very high	82 Å²	82	31.7 Å²	31.7	36%	0.357	15%	0.148	S	C	.	.	H	α-helix	trans	-60	-34	172.6	-77.4	170.9	-179.2	178.2	0	111.9	S28 T29 I30 I34 H35 L90 S98	S28-K32 WeakPolarHBondContact O-CB 3.38Å; S28-K32 WeakPolarHBondContact O-CG 3.41Å; S28-K32 PolarHBondContact O-N 3.02Å; T29-K32 PolarHBondContact O-N 2.94Å; I30-K32 PolarHBondContact O-N 2.7Å; K32-I34 PolarHBondContact O-N 3.28Å; K32-H35 PolarHBondContact O-N 2.69Å; K32-L90 HydrophobicContact CG-CD1 4.26Å; K32-L90 HydrophobicContact CG-CD2 3.82Å; K32-S98 PolarHBondContact NZ-OG 2.92Å
33	A	96	Very high	94.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-63.4	-28.3	179.5	0	0	0	0	0	113.2	T29 I30 L31 A234 L237 I257 V267 Y269	T29-A33 PolarHBondContact O-N 3.29Å; I30-A33 WeakPolarHBondContact O-CB 3.25Å; I30-A33 PolarHBondContact O-N 3.14Å; I30-A33 VanDerWaalsContact O-N 3.15Å; L31-A33 PolarHBondContact O-N 2.9Å; A33-A234 HydrophobicContact CB-CB 4.05Å; A33-L237 HydrophobicContact CB-CD1 3.8Å; A33-I257 HydrophobicContact CB-CD1 3.98Å; A33-V267 HydrophobicContact CB-CG1 4.41Å; A33-V267 HydrophobicContact CB-CG2 4Å; A33-Y269 PolarHBondContact O-OH 3.24Å
34	I	96.9	Very high	95.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-107.7	-0.1	-178.7	62.2	164.6	0	0	0	113.9	L31 K32 F36 V51 V53 A61 A63 V267 Y269	L31-I34 HydrophobicContact CD2-CD1 4.42Å; L31-I34 VanDerWaalsContact O-CG1 3.29Å; L31-I34 WeakPolarHBondContact O-CG1 3.28Å; L31-I34 PolarHBondContact O-N 3.24Å; K32-I34 PolarHBondContact O-N 3.28Å; I34-F36 WeakPolarHBondContact O-CD1 3.36Å; I34-F36 VanDerWaalsContact O-CE1 3.29Å; I34-F36 WeakPolarHBondContact O-CE1 3.48Å; I34-F36 PolarHBondContact O-N 2.96Å; I34-F36 VanDerWaalsContact O-N 3.17Å; I34-V51 HydrophobicContact CD1-CB 3.9Å; I34-V51 HydrophobicContact CD1-CG1 3.76Å; I34-V51 WeakPolarHBondContact CD1-O 3.38Å; I34-V53 HydrophobicContact CD1-CG2 4.13Å; I34-V53 HydrophobicContact CG1-CG2 4.38Å; I34-V53 WeakPolarHBondContact O-CG2 3.29Å; I34-A61 HydrophobicContact CB-CB 3.87Å; I34-A61 HydrophobicContact CG2-CB 3.78Å; I34-A63 HydrophobicContact CD1-CB 3.64Å; I34-A63 HydrophobicContact CG1-CB 4.26Å; I34-A63 HydrophobicContact CG2-CB 4.11Å; I34-V267 HydrophobicContact CG2-CB 4.46Å; I34-V267 HydrophobicContact CG2-CG1 3.4Å; I34-V267 VanDerWaalsContact CG2-CG1 3.4Å; I34-V267 HydrophobicContact CG2-CG2 4.28Å; I34-Y269 HydrophobicContact CG2-CE2 4.46Å
35	H	96.8	Very high	95.3	Very high	42 Å²	42	32.9 Å²	32.9	19%	0.194	15%	0.152	C	C	.	.			trans	-80	100.4	-175	177.5	-121.5	0	0	0	111.7	L31 K32 R37 L86 T87 L90 K233	L31-H35 WeakPolarHBondContact O-CB 3.32Å; L31-H35 PolarHBondContact O-N 2.85Å; K32-H35 PolarHBondContact O-N 2.69Å; H35-R37 PolarHBondContact CD2-O 2.83Å; H35-R37 VanDerWaalsContact CD2-O 3.25Å; H35-L86 HydrophobicContact CB-CD2 4.01Å; H35-T87 PolarHBondContact NE2-OG1 3.05Å; H35-L90 HydrophobicContact CB-CD1 3.66Å; H35-L90 VanDerWaalsContact CG-CD1 3.49Å; H35-K233 PolarHBondContact O-NZ 2.81Å
36	F	95.1	Very high	95.6	Very high	39 Å²	39	38 Å²	38	17%	0.171	18%	0.175	C	C	.	.	S	Bend	trans	-137	1	170.1	60.2	-85.2	0	0	0	113.7	I34 V53 N55 V59 A61 P230 Y269	I34-F36 WeakPolarHBondContact O-CD1 3.36Å; I34-F36 VanDerWaalsContact O-CE1 3.29Å; I34-F36 WeakPolarHBondContact O-CE1 3.48Å; I34-F36 PolarHBondContact O-N 2.96Å; I34-F36 VanDerWaalsContact O-N 3.17Å; F36-V53 HydrophobicContact CD1-CG1 4.08Å; F36-V53 HydrophobicContact CD2-CG1 4.28Å; F36-V53 HydrophobicContact CE1-CB 3.83Å; F36-V53 HydrophobicContact CE1-CG1 3.65Å; F36-V53 HydrophobicContact CE2-CG1 3.91Å; F36-V53 HydrophobicContact CG-CG1 4.36Å; F36-V53 HydrophobicContact CZ-CB 3.96Å; F36-V53 HydrophobicContact CZ-CG1 3.57Å; F36-V53 WeakPolarHBondContact CZ-O 3.34Å; F36-N55 HydrophobicContact CD2-CB 4.17Å; F36-N55 HydrophobicContact CE2-CB 3.6Å; F36-V59 HydrophobicContact CZ-CG1 4.23Å; F36-A61 HydrophobicContact CE1-CB 3.56Å; F36-A61 HydrophobicContact CZ-CB 4.22Å; F36-P230 HydrophobicContact CB-CB 3.65Å; F36-P230 HydrophobicContact CB-CG 3.75Å; F36-P230 HydrophobicContact CD1-CB 3.89Å; F36-P230 HydrophobicContact CD2-CG 4.32Å; F36-P230 HydrophobicContact CG-CB 3.77Å; F36-P230 HydrophobicContact CG-CG 3.95Å; F36-Y269 HydrophobicContact CD1-CE1 4.26Å; F36-Y269 AromaticContact CE1-CE1 3.95Å; F36-Y269 HydrophobicContact CE1-CE1 3.95Å
37	R	95.7	Very high	95.9	Very high	124 Å²	124	43.4 Å²	43.4	47%	0.468	20%	0.204	S	C	.	.	S	Bend	trans	-131.2	160.4	166	-60	-62.5	-121.6	164	-1.3	108.7	H35 H39 V53 E54 N55	H35-R37 PolarHBondContact CD2-O 2.83Å; H35-R37 VanDerWaalsContact CD2-O 3.25Å; R37-H39 VanDerWaalsContact C-N 3.31Å; R37-H39 PolarHBondContact O-N 3.02Å; R37-V53 HydrophobicContact CB-CG1 3.71Å; R37-V53 HydrophobicContact CG-CG1 3.92Å; R37-E54 WeakPolarHBondContact CG-O 3.49Å; R37-N55 HydrophobicContact CG-CB 4.25Å; R37-N55 PolarHBondContact NE-OD1 2.92Å; R37-N55 PolarHBondContact NH2-OD1 2.87Å
38	E	96.1	Very high	96	Very high	107 Å²	107	43.1 Å²	43.1	50%	0.5	20%	0.203	S	C	.	.	S	Bend	trans	-68.4	-31.9	-179.2	-175.8	172	-171	0	0	112.7	N85 L86 T87	E38-N85 WeakPolarHBondContact CG-ND2 3.18Å; E38-N85 CarbonylContact O-C 3.56Å; E38-N85 WeakPolarHBondContact O-CA 3.35Å; E38-N85 PolarHBondContact O-OD1 2.99Å; E38-N85 PolarHBondContact OE1-ND2 2.83Å; E38-L86 PolarHBondContact O-N 2.85Å; E38-T87 PolarHBondContact O-N 2.92Å
39	H	96.7	Very high	96.1	Very high	47 Å²	47	43.2 Å²	43.2	22%	0.218	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	148.4	-176.8	-65.3	-80	0	0	0	112.5	R37 R83 I84 Q137	R37-H39 VanDerWaalsContact C-N 3.31Å; R37-H39 PolarHBondContact O-N 3.02Å; H39-R83 HydrophobicContact CB-CG 4.39Å; H39-I84 VanDerWaalsContact CA-O 3.28Å; H39-I84 WeakPolarHBondContact CA-O 3.22Å; H39-I84 PolarHBondContact ND1-O 3.34Å; H39-Q137 PolarHBondContact CE1-NE2 3.32Å; H39-Q137 VanDerWaalsContact CE1-NE2 3.29Å
40	A	97.3	Very high	96.3	Very high	2 Å²	2	44.4 Å²	44.4	2%	0.017	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	150.3	174.1	0	0	0	0	0	110.8	V51 T52 V53 R83 I84 L86	A40-V51 HydrophobicContact CB-CG1 3.67Å; A40-T52 CarbonylContact C-O 3.52Å; A40-T52 VanDerWaalsContact CA-O 3.3Å; A40-T52 WeakPolarHBondContact CA-O 3.45Å; A40-V53 HydrophobicContact CB-CG2 3.68Å; A40-R83 WeakPolarHBondContact O-CA 3.33Å; A40-R83 WeakPolarHBondContact O-CG 3.3Å; A40-I84 PolarHBondContact N-O 2.91Å; A40-I84 PolarHBondContact O-N 2.71Å; A40-L86 HydrophobicContact CB-CB 3.91Å; A40-L86 HydrophobicContact CB-CD2 3.92Å; A40-L86 HydrophobicContact CB-CG 4.33Å
41	T	96.8	Very high	96.4	Very high	16 Å²	16	44.3 Å²	44.3	10%	0.098	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	122.5	170.7	-59.4	0	0	0	0	108.8	V51 T52 T81 P139 T142	T41-V51 WeakPolarHBondContact O-CA 3.33Å; T41-T52 PolarHBondContact N-O 2.8Å; T41-T52 PolarHBondContact O-N 2.8Å; T41-T81 HydrophobicContact CG2-CG2 3.95Å; T41-P139 HydrophobicContact CG2-CB 4.49Å; T41-T142 HydrophobicContact CG2-CG2 4.31Å
42	C	97.2	Very high	96.4	Very high	6 Å²	6	44.5 Å²	44.5	4%	0.041	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	128.3	173.2	-65.4	0	0	0	0	109	K50 T81 F82	C42-K50 WeakPolarHBondContact CA-O 3.35Å; C42-T81 VanDerWaalsContact O-CA 3.3Å; C42-T81 WeakPolarHBondContact O-CA 3.19Å; C42-T81 WeakPolarHBondContact O-CG2 3.35Å; C42-F82 HydrophobicContact CB-CD1 4.4Å; C42-F82 HydrophobicContact CB-CD2 4Å; C42-F82 HydrophobicContact CB-CE1 4.05Å; C42-F82 HydrophobicContact CB-CE2 3.61Å; C42-F82 HydrophobicContact CB-CG 4.38Å; C42-F82 HydrophobicContact CB-CZ 3.64Å; C42-F82 PolarHBondContact N-O 3.29Å; C42-F82 PolarHBondContact O-N 3.3Å
43	F	96.3	Very high	96.4	Very high	79 Å²	79	40.7 Å²	40.7	35%	0.346	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	109	176.1	178.9	-99.1	0	0	0	108.8	T45 K50 T81	F43-T45 HydrophobicContact CD1-CG2 4.13Å; F43-T45 HydrophobicContact CE1-CG2 3.31Å; F43-T45 HydrophobicContact CZ-CG2 3.59Å; F43-K50 HydrophobicContact CB-CB 4.37Å; F43-K50 PolarHBondContact N-O 3Å; F43-K50 PolarHBondContact O-N 3.09Å; F43-T81 HydrophobicContact CD2-CG2 4.24Å; F43-T81 WeakPolarHBondContact CD2-OG1 3.46Å
44	A	97.3	Very high	96.2	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	136.2	-179.6	0	0	0	0	0	110.8	L17 G48 I49 V75 S79 V80	L17-A44 HydrophobicContact CD1-CB 4.06Å; L17-A44 HydrophobicContact CD2-CB 4.04Å; A44-G48 WeakPolarHBondContact CA-O 3.39Å; A44-I49 HydrophobicContact CB-CG1 4.21Å; A44-V75 HydrophobicContact CB-CG2 4.34Å; A44-S79 CarbonylContact O-C 3.6Å; A44-S79 VanDerWaalsContact O-CA 3.28Å; A44-S79 WeakPolarHBondContact O-CA 3.42Å; A44-V80 HydrophobicContact CB-CB 4.42Å; A44-V80 PolarHBondContact N-O 3.13Å; A44-V80 PolarHBondContact O-N 2.74Å
45	T	97.1	Very high	95.9	Very high	28 Å²	28	44.7 Å²	44.7	17%	0.172	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	176.2	170.9	63.1	0	0	0	0	108.1	F43 N47 G48 F73	F43-T45 HydrophobicContact CD1-CG2 4.13Å; F43-T45 HydrophobicContact CE1-CG2 3.31Å; F43-T45 HydrophobicContact CZ-CG2 3.59Å; T45-N47 PolarHBondContact O-N 3.39Å; T45-N47 PolarHBondContact OG1-N 2.75Å; T45-G48 PolarHBondContact N-O 2.89Å; T45-G48 PolarHBondContact O-N 2.86Å; T45-G48 VanDerWaalsContact O-O 3.12Å; T45-F73 WeakPolarHBondContact O-CE1 3.35Å; T45-F73 WeakPolarHBondContact O-CZ 3.4Å
46	K	96.8	Very high	95	Very high	152 Å²	152	45.9 Å²	45.9	66%	0.661	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-19.6	174.1	-63	-177.9	-179	177.5	0	114.4	A67	K46-A67 WeakPolarHBondContact O-CB 3.4Å
47	N	95.6	Very high	94.4	Very high	120 Å²	120	51.4 Å²	51.4	64%	0.642	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85	-17.3	-180	-63.2	-31.2	0	0	0	113.8	T45 F64 A67	T45-N47 PolarHBondContact O-N 3.39Å; T45-N47 PolarHBondContact OG1-N 2.75Å; N47-F64 HydrophobicContact CB-CZ 4.29Å; N47-A67 PolarHBondContact O-N 2.82Å
48	G	95.5	Very high	93.8	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	144.1	-168.4	-176.9	0	0	0	0	0	113.5	A44 T45 I65	A44-G48 WeakPolarHBondContact CA-O 3.39Å; T45-G48 PolarHBondContact N-O 2.89Å; T45-G48 PolarHBondContact O-N 2.86Å; T45-G48 VanDerWaalsContact O-O 3.12Å; G48-I65 CarbonylContact C-O 3.5Å; G48-I65 WeakPolarHBondContact CA-O 3.49Å
49	I	96.4	Very high	93.6	Very high	11 Å²	11	42.6 Å²	42.6	6%	0.056	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	121.7	-179.8	-50.5	-178.5	0	0	0	109.2	A19 A44 V51 I65 F70 F73 M110	A19-I49 HydrophobicContact CB-CD1 4.43Å; A44-I49 HydrophobicContact CB-CG1 4.21Å; I49-V51 HydrophobicContact CG2-CG2 3.93Å; I49-I65 PolarHBondContact N-O 3.47Å; I49-I65 PolarHBondContact O-N 3.33Å; I49-F70 HydrophobicContact CD1-CE1 4.44Å; I49-F70 HydrophobicContact CD1-CE2 4.46Å; I49-F70 HydrophobicContact CD1-CZ 3.84Å; I49-F70 HydrophobicContact CG1-CE2 4.43Å; I49-F70 HydrophobicContact CG1-CZ 4.23Å; I49-F73 HydrophobicContact CD1-CE2 3.9Å; I49-F73 HydrophobicContact CG1-CE2 3.55Å; I49-F73 HydrophobicContact CG1-CZ 3.89Å; I49-M110 HydrophobicContact CD1-CE 3.83Å
50	K	95.6	Very high	93.4	Very high	70 Å²	70	40.7 Å²	40.7	30%	0.304	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	129.8	165.4	-174.8	-178.3	176.3	-171.7	0	108.8	C42 F43 T52 N62 A63 F64	C42-K50 WeakPolarHBondContact CA-O 3.35Å; F43-K50 HydrophobicContact CB-CB 4.37Å; F43-K50 PolarHBondContact N-O 3Å; F43-K50 PolarHBondContact O-N 3.09Å; K50-T52 WeakPolarHBondContact CE-OG1 3.31Å; K50-N62 VanDerWaalsContact CE-CG 3.42Å; K50-N62 WeakPolarHBondContact CE-OD1 3.46Å; K50-A63 CarbonylContact C-O 3.54Å; K50-A63 VanDerWaalsContact CA-O 3.3Å; K50-A63 WeakPolarHBondContact CA-O 3.33Å; K50-F64 HydrophobicContact CB-CD2 4.06Å
51	V	96.9	Very high	93.4	Very high	4 Å²	4	40.6 Å²	40.6	2%	0.024	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	124.1	173.3	-175	0	0	0	0	108.6	L31 I34 A40 T41 I49 N62 A63	L31-V51 HydrophobicContact CD2-CB 3.94Å; L31-V51 HydrophobicContact CD2-CG1 4Å; L31-V51 HydrophobicContact CD2-CG2 3.78Å; I34-V51 HydrophobicContact CD1-CB 3.9Å; I34-V51 HydrophobicContact CD1-CG1 3.76Å; I34-V51 WeakPolarHBondContact CD1-O 3.38Å; A40-V51 HydrophobicContact CB-CG1 3.67Å; T41-V51 WeakPolarHBondContact O-CA 3.33Å; I49-V51 HydrophobicContact CG2-CG2 3.93Å; V51-N62 WeakPolarHBondContact O-CA 3.38Å; V51-A63 PolarHBondContact N-O 2.77Å; V51-A63 PolarHBondContact O-N 3.26Å
52	T	96.2	Very high	93.3	Very high	6 Å²	6	40.2 Å²	40.2	4%	0.037	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	130.4	-173	-61.4	0	0	0	0	110.6	A40 T41 K50 E54 Q60 A61 N62 T142	A40-T52 CarbonylContact C-O 3.52Å; A40-T52 VanDerWaalsContact CA-O 3.3Å; A40-T52 WeakPolarHBondContact CA-O 3.45Å; T41-T52 PolarHBondContact N-O 2.8Å; T41-T52 PolarHBondContact O-N 2.8Å; K50-T52 WeakPolarHBondContact CE-OG1 3.31Å; T52-E54 HydrophobicContact CG2-CG 4.15Å; T52-Q60 HydrophobicContact CG2-CG 3.54Å; T52-A61 CarbonylContact C-O 3.55Å; T52-A61 WeakPolarHBondContact CA-O 3.28Å; T52-N62 WeakPolarHBondContact CB-OD1 3.45Å; T52-N62 VanDerWaalsContact CG2-OD1 3.26Å; T52-N62 WeakPolarHBondContact CG2-OD1 3.42Å; T52-N62 PolarHBondContact OG1-OD1 3.33Å; T52-T142 HydrophobicContact CG2-CG2 3.83Å
53	V	95.9	Very high	93.2	Very high	1 Å²	1	40 Å²	40	1%	0.006	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	128	174.3	-177.4	0	0	0	0	108.4	I34 F36 R37 A40 Q60 A61 L86	I34-V53 HydrophobicContact CD1-CG2 4.13Å; I34-V53 HydrophobicContact CG1-CG2 4.38Å; I34-V53 WeakPolarHBondContact O-CG2 3.29Å; F36-V53 HydrophobicContact CD1-CG1 4.08Å; F36-V53 HydrophobicContact CD2-CG1 4.28Å; F36-V53 HydrophobicContact CE1-CB 3.83Å; F36-V53 HydrophobicContact CE1-CG1 3.65Å; F36-V53 HydrophobicContact CE2-CG1 3.91Å; F36-V53 HydrophobicContact CG-CG1 4.36Å; F36-V53 HydrophobicContact CZ-CB 3.96Å; F36-V53 HydrophobicContact CZ-CG1 3.57Å; F36-V53 WeakPolarHBondContact CZ-O 3.34Å; R37-V53 HydrophobicContact CB-CG1 3.71Å; R37-V53 HydrophobicContact CG-CG1 3.92Å; A40-V53 HydrophobicContact CB-CG2 3.68Å; V53-Q60 CarbonylContact O-C 3.51Å; V53-Q60 WeakPolarHBondContact O-CA 3.46Å; V53-A61 PolarHBondContact N-O 3Å; V53-A61 PolarHBondContact O-N 2.98Å; V53-L86 HydrophobicContact CG2-CD2 3.65Å
54	E	92.4	Very high	93.1	Very high	49 Å²	49	39.9 Å²	39.9	23%	0.229	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	147	-179.2	-69.7	-170.9	168.4	0	0	112.3	R37 T52 V59 Q60 T142 L143	R37-E54 WeakPolarHBondContact CG-O 3.49Å; T52-E54 HydrophobicContact CG2-CG 4.15Å; E54-V59 CarbonylContact C-O 3.57Å; E54-V59 WeakPolarHBondContact CA-O 3.15Å; E54-Q60 HydrophobicContact CG-CB 3.98Å; E54-Q60 HydrophobicContact CG-CG 3.75Å; E54-Q60 PolarHBondContact OE1-NE2 2.92Å; E54-T142 WeakPolarHBondContact OE1-CA 3.37Å; E54-T142 WeakPolarHBondContact OE1-CB 3.42Å; E54-L143 PolarHBondContact OE1-N 2.83Å
55	N	89.4	Confident	92.9	Very high	35 Å²	35	40 Å²	40	19%	0.187	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	133.6	169.7	-175.5	19	0	0	0	111.5	F36 R37 K57 C58 V59	F36-N55 HydrophobicContact CD2-CB 4.17Å; F36-N55 HydrophobicContact CE2-CB 3.6Å; R37-N55 HydrophobicContact CG-CB 4.25Å; R37-N55 PolarHBondContact NE-OD1 2.92Å; R37-N55 PolarHBondContact NH2-OD1 2.87Å; N55-K57 PolarHBondContact O-N 2.9Å; N55-C58 PolarHBondContact O-N 2.87Å; N55-V59 PolarHBondContact N-O 2.76Å; N55-V59 PolarHBondContact O-N 3.47Å; N55-V59 VanDerWaalsContact O-N 3.15Å
56	A	79.4	Confident	92.8	Very high	68 Å²	68	43.3 Å²	43.3	56%	0.562	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.8	18.2	173.1	0	0	0	0	0	114.9	C58	A56-C58 PolarHBondContact O-N 2.87Å; A56-C58 VanDerWaalsContact O-N 3.07Å; A56-C58 PolarHBondContact O-SG 3.02Å
57	K	81.3	Confident	92.7	Very high	154 Å²	154	37.1 Å²	37.1	67%	0.67	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.5	14.6	-171.8	-65.9	-171.8	179.4	-171.9	0	114.6	N55 L143	N55-K57 PolarHBondContact O-N 2.9Å; K57-L143 VanDerWaalsContact CA-CD1 3.44Å; K57-L143 HydrophobicContact CB-CD1 3.62Å; K57-L143 HydrophobicContact CG-CD1 3.96Å; K57-L143 VanDerWaalsContact O-CD1 3.28Å; K57-L143 WeakPolarHBondContact O-CD1 3.5Å
58	C	84.1	Confident	92.5	Very high	45 Å²	45	34.8 Å²	34.8	30%	0.304	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.2	-24.8	-177	-63.8	0	0	0	0	112.5	N55 A56 L227 C271 C272	N55-C58 PolarHBondContact O-N 2.87Å; A56-C58 PolarHBondContact O-N 2.87Å; A56-C58 VanDerWaalsContact O-N 3.07Å; A56-C58 PolarHBondContact O-SG 3.02Å; C58-L227 HydrophobicContact CB-CD1 3.69Å; C58-C271 WeakPolarHBondContact O-CA 3.03Å; C58-C272 PolarHBondContact O-N 3.22Å
59	V	91.3	Very high	92.3	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.012	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	135.6	176.5	168.7	0	0	0	0	111	F36 E54 N55 L227 Y269 Y270 C271	F36-V59 HydrophobicContact CZ-CG1 4.23Å; E54-V59 CarbonylContact C-O 3.57Å; E54-V59 WeakPolarHBondContact CA-O 3.15Å; N55-V59 PolarHBondContact N-O 2.76Å; N55-V59 PolarHBondContact O-N 3.47Å; N55-V59 VanDerWaalsContact O-N 3.15Å; V59-L227 HydrophobicContact CB-CB 4.48Å; V59-L227 HydrophobicContact CG2-CB 3.59Å; V59-L227 HydrophobicContact CG2-CD1 4.36Å; V59-Y269 HydrophobicContact CG1-CD1 4.2Å; V59-Y270 VanDerWaalsContact CA-O 3.26Å; V59-Y270 WeakPolarHBondContact CA-O 3.36Å; V59-C271 HydrophobicContact CG2-CB 3.87Å; V59-C271 WeakPolarHBondContact CG2-SG 3.45Å
60	Q	93.6	Very high	92.2	Very high	6 Å²	6	35.5 Å²	35.5	3%	0.028	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	134.9	172.7	-178.3	-175.1	123	0	0	109	T52 V53 E54 N62 L143 F145 Y269 Y270	T52-Q60 HydrophobicContact CG2-CG 3.54Å; V53-Q60 CarbonylContact O-C 3.51Å; V53-Q60 WeakPolarHBondContact O-CA 3.46Å; E54-Q60 HydrophobicContact CG-CB 3.98Å; E54-Q60 HydrophobicContact CG-CG 3.75Å; E54-Q60 PolarHBondContact OE1-NE2 2.92Å; Q60-N62 PolarHBondContact OE1-ND2 2.95Å; Q60-N62 PolarHBondContact OE1-OD1 2.84Å; Q60-L143 PolarHBondContact NE2-O 3.04Å; Q60-F145 HydrophobicContact CB-CD2 4.08Å; Q60-F145 HydrophobicContact CB-CE2 3.33Å; Q60-F145 HydrophobicContact CB-CZ 3.94Å; Q60-F145 HydrophobicContact CG-CE2 4.23Å; Q60-F145 VanDerWaalsContact NE2-CE2 3.32Å; Q60-Y269 CarbonylContact O-C 3.5Å; Q60-Y269 WeakPolarHBondContact O-CA 3.44Å; Q60-Y270 PolarHBondContact N-O 3.28Å; Q60-Y270 VanDerWaalsContact N-O 3.09Å; Q60-Y270 PolarHBondContact O-N 3.17Å
61	A	95.8	Very high	92.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	136.9	167	0	0	0	0	0	110.5	I34 F36 T52 V53 E268 Y269	I34-A61 HydrophobicContact CB-CB 3.87Å; I34-A61 HydrophobicContact CG2-CB 3.78Å; F36-A61 HydrophobicContact CE1-CB 3.56Å; F36-A61 HydrophobicContact CZ-CB 4.22Å; T52-A61 CarbonylContact C-O 3.55Å; T52-A61 WeakPolarHBondContact CA-O 3.28Å; V53-A61 PolarHBondContact N-O 3Å; V53-A61 PolarHBondContact O-N 2.98Å; A61-E268 CarbonylContact C-O 3.56Å; A61-E268 VanDerWaalsContact CA-O 3.23Å; A61-E268 WeakPolarHBondContact CA-O 3.28Å; A61-Y269 HydrophobicContact CB-CD1 3.81Å; A61-Y269 HydrophobicContact CB-CD2 4.03Å; A61-Y269 HydrophobicContact CB-CE1 3.52Å; A61-Y269 HydrophobicContact CB-CE2 3.74Å; A61-Y269 HydrophobicContact CB-CG 4.06Å; A61-Y269 VanDerWaalsContact CB-CZ 3.46Å
62	N	95.3	Very high	92	Very high	9 Å²	9	39 Å²	39	5%	0.048	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	127	179.4	-65.6	-52.9	0	0	0	109.4	K50 V51 T52 Q60 V267 E268 Y270	K50-N62 VanDerWaalsContact CE-CG 3.42Å; K50-N62 WeakPolarHBondContact CE-OD1 3.46Å; V51-N62 WeakPolarHBondContact O-CA 3.38Å; T52-N62 WeakPolarHBondContact CB-OD1 3.45Å; T52-N62 VanDerWaalsContact CG2-OD1 3.26Å; T52-N62 WeakPolarHBondContact CG2-OD1 3.42Å; T52-N62 PolarHBondContact OG1-OD1 3.33Å; Q60-N62 PolarHBondContact OE1-ND2 2.95Å; Q60-N62 PolarHBondContact OE1-OD1 2.84Å; N62-V267 CarbonylContact O-C 3.57Å; N62-V267 WeakPolarHBondContact O-CA 3.24Å; N62-E268 HydrophobicContact CB-CB 4.43Å; N62-E268 PolarHBondContact N-O 3.44Å; N62-E268 PolarHBondContact O-N 3.05Å; N62-Y270 WeakPolarHBondContact ND2-CE2 3.42Å
63	A	95.8	Very high	92	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	132.8	161.3	0	0	0	0	0	108.6	I30 I34 K50 V51 I65 V267	I30-A63 HydrophobicContact CG2-CB 3.39Å; I34-A63 HydrophobicContact CD1-CB 3.64Å; I34-A63 HydrophobicContact CG1-CB 4.26Å; I34-A63 HydrophobicContact CG2-CB 4.11Å; K50-A63 CarbonylContact C-O 3.54Å; K50-A63 VanDerWaalsContact CA-O 3.3Å; K50-A63 WeakPolarHBondContact CA-O 3.33Å; V51-A63 PolarHBondContact N-O 2.77Å; V51-A63 PolarHBondContact O-N 3.26Å; A63-I65 HydrophobicContact CB-CD1 4.31Å; A63-V267 HydrophobicContact CB-CG2 4.38Å
64	F	93.8	Very high	92	Very high	78 Å²	78	44.9 Å²	44.9	34%	0.342	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	117.9	170.7	-177.6	-117.8	0	0	0	110.2	N47 K50 Q66 F266	N47-F64 HydrophobicContact CB-CZ 4.29Å; K50-F64 HydrophobicContact CB-CD2 4.06Å; F64-Q66 HydrophobicContact CD1-CG 3.98Å; F64-Q66 HydrophobicContact CE1-CG 3.56Å; F64-Q66 HydrophobicContact CZ-CG 4.38Å; F64-F266 PolarHBondContact N-O 2.92Å
65	I	93.3	Very high	92.2	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	109.9	176.4	-53.1	89	0	0	0	107.3	L27 I30 G48 I49 A63 I69 F70	L27-I65 HydrophobicContact CD1-CD1 4.03Å; L27-I65 HydrophobicContact CD1-CG1 4.08Å; I30-I65 HydrophobicContact CD1-CG1 3.98Å; I30-I65 HydrophobicContact CG2-CD1 4.24Å; I30-I65 HydrophobicContact CG2-CG1 4.27Å; G48-I65 CarbonylContact C-O 3.5Å; G48-I65 WeakPolarHBondContact CA-O 3.49Å; I49-I65 PolarHBondContact N-O 3.47Å; I49-I65 PolarHBondContact O-N 3.33Å; A63-I65 HydrophobicContact CB-CD1 4.31Å; I65-I69 HydrophobicContact CG2-CB 4.11Å; I65-I69 HydrophobicContact CG2-CD1 3.79Å; I65-I69 HydrophobicContact CG2-CG2 4.08Å; I65-F70 HydrophobicContact CB-CE2 4.15Å; I65-F70 HydrophobicContact CB-CZ 4.16Å; I65-F70 HydrophobicContact CG2-CD2 4.43Å; I65-F70 HydrophobicContact CG2-CE2 3.49Å; I65-F70 VanDerWaalsContact CG2-CE2 3.49Å; I65-F70 HydrophobicContact CG2-CZ 3.56Å
66	Q	93.8	Very high	92.3	Very high	98 Å²	98	46.7 Å²	46.7	46%	0.458	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	146.2	-179.1	-68.4	-179.3	5.8	0	0	111.6	F64 G68 I69 F70	F64-Q66 HydrophobicContact CD1-CG 3.98Å; F64-Q66 HydrophobicContact CE1-CG 3.56Å; F64-Q66 HydrophobicContact CZ-CG 4.38Å; Q66-G68 PolarHBondContact O-N 3.25Å; Q66-G68 VanDerWaalsContact O-N 3.14Å; Q66-I69 HydrophobicContact CB-CD1 4.34Å; Q66-I69 WeakPolarHBondContact O-CB 3.17Å; Q66-I69 PolarHBondContact O-N 2.88Å; Q66-F70 WeakPolarHBondContact O-CD2 3.37Å
67	A	94.7	Very high	92.9	Very high	23 Å²	23	48.2 Å²	48.2	19%	0.19	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-53.8	-35.9	178.6	0	0	0	0	0	112.8	K46 N47 I69 F70 F73	K46-A67 WeakPolarHBondContact O-CB 3.4Å; N47-A67 PolarHBondContact O-N 2.82Å; A67-I69 PolarHBondContact O-N 3.48Å; A67-I69 VanDerWaalsContact O-N 3.16Å; A67-F70 PolarHBondContact O-N 2.73Å; A67-F70 VanDerWaalsContact O-N 3.13Å; A67-F73 HydrophobicContact CB-CB 4.39Å; A67-F73 HydrophobicContact CB-CD1 3.47Å; A67-F73 VanDerWaalsContact CB-CD1 3.47Å; A67-F73 HydrophobicContact CB-CE1 3.9Å; A67-F73 HydrophobicContact CB-CG 3.95Å
68	G	92.3	Very high	93.4	Very high	71 Å²	71	49.5 Å²	49.5	73%	0.732	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-68.5	-8.2	179.8	0	0	0	0	0	115.7	Q66 F70	Q66-G68 PolarHBondContact O-N 3.25Å; Q66-G68 VanDerWaalsContact O-N 3.14Å; G68-F70 VanDerWaalsContact C-N 3.35Å
69	I	90.6	Very high	94	Very high	11 Å²	11	49.4 Å²	49.4	6%	0.056	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-77.3	-27.2	173	-67.7	169.5	0	0	0	110.9	L21 I65 Q66 A67 C265	L21-I69 HydrophobicContact CD2-CG2 4.04Å; I65-I69 HydrophobicContact CG2-CB 4.11Å; I65-I69 HydrophobicContact CG2-CD1 3.79Å; I65-I69 HydrophobicContact CG2-CG2 4.08Å; Q66-I69 HydrophobicContact CB-CD1 4.34Å; Q66-I69 WeakPolarHBondContact O-CB 3.17Å; Q66-I69 PolarHBondContact O-N 2.88Å; A67-I69 PolarHBondContact O-N 3.48Å; A67-I69 VanDerWaalsContact O-N 3.16Å; I69-C265 WeakPolarHBondContact CD1-SG 3.27Å
70	F	94.1	Very high	94.2	Very high	14 Å²	14	49.6 Å²	49.6	6%	0.061	26%	0.258	C	S	.	.	S	Bend	trans	-87.1	143.1	-178.1	-58.9	-88.2	0	0	0	110.9	A19 S20 L21 I49 I65 Q66 A67 G68 E72 F73 M110	A19-F70 HydrophobicContact CB-CD1 3.79Å; A19-F70 HydrophobicContact CB-CE1 3.88Å; A19-F70 HydrophobicContact CB-CG 4.41Å; S20-F70 CarbonylContact O-C 3.53Å; S20-F70 WeakPolarHBondContact O-CA 3.48Å; S20-F70 WeakPolarHBondContact O-CB 3.47Å; L21-F70 HydrophobicContact CD1-CD1 4.14Å; L21-F70 HydrophobicContact CD1-CE1 3.89Å; L21-F70 HydrophobicContact CD2-CD1 3.76Å; L21-F70 HydrophobicContact CD2-CE1 4.24Å; L21-F70 HydrophobicContact CD2-CG 4.3Å; L21-F70 HydrophobicContact CG-CD1 3.66Å; L21-F70 HydrophobicContact CG-CE1 3.96Å; I49-F70 HydrophobicContact CD1-CE1 4.44Å; I49-F70 HydrophobicContact CD1-CE2 4.46Å; I49-F70 HydrophobicContact CD1-CZ 3.84Å; I49-F70 HydrophobicContact CG1-CE2 4.43Å; I49-F70 HydrophobicContact CG1-CZ 4.23Å; I65-F70 HydrophobicContact CB-CE2 4.15Å; I65-F70 HydrophobicContact CB-CZ 4.16Å; I65-F70 HydrophobicContact CG2-CD2 4.43Å; I65-F70 HydrophobicContact CG2-CE2 3.49Å; I65-F70 VanDerWaalsContact CG2-CE2 3.49Å; I65-F70 HydrophobicContact CG2-CZ 3.56Å; Q66-F70 WeakPolarHBondContact O-CD2 3.37Å; A67-F70 PolarHBondContact O-N 2.73Å; A67-F70 VanDerWaalsContact O-N 3.13Å; G68-F70 VanDerWaalsContact C-N 3.35Å; F70-E72 VanDerWaalsContact C-N 3.31Å; F70-E72 WeakPolarHBondContact CB-O 3.29Å; F70-F73 HydrophobicContact CB-CB 3.96Å; F70-F73 HydrophobicContact CB-CD2 4.28Å; F70-F73 HydrophobicContact CD1-CD2 4.42Å; F70-F73 HydrophobicContact CD2-CB 4.45Å; F70-F73 AromaticContact CD2-CD2 3.5Å; F70-F73 HydrophobicContact CD2-CD2 3.5Å; F70-F73 VanDerWaalsContact CD2-CD2 3.5Å; F70-F73 HydrophobicContact CD2-CE2 4.08Å; F70-F73 HydrophobicContact CD2-CG 4.17Å; F70-F73 AromaticContact CE2-CD2 3.84Å; F70-F73 HydrophobicContact CE2-CD2 3.84Å; F70-F73 AromaticContact CE2-CE2 3.94Å; F70-F73 HydrophobicContact CE2-CE2 3.94Å; F70-F73 HydrophobicContact CG-CB 4.42Å; F70-F73 AromaticContact CG-CD2 3.82Å; F70-F73 HydrophobicContact CG-CD2 3.82Å; F70-F73 HydrophobicContact CG-CG 4.5Å; F70-F73 HydrophobicContact CZ-CD2 4.45Å; F70-F73 HydrophobicContact CZ-CE2 4.44Å; F70-M110 HydrophobicContact CE1-CE 3.99Å
71	Q	94	Very high	94.3	Very high	107 Å²	107	51.7 Å²	51.7	50%	0.5	27%	0.272	S	S	.	.	S	Bend	trans	-72.1	-30.8	173	-69.3	75	22.5	0	0	111.7	S20 L21 D22	S20-Q71 PolarHBondContact O-N 3.37Å; S20-Q71 PolarHBondContact O-OE1 3.24Å; S20-Q71 VanDerWaalsContact O-OE1 3.05Å; L21-Q71 VanDerWaalsContact C-OE1 3.29Å; D22-Q71 PolarHBondContact OD1-NE2 3.36Å; D22-Q71 PolarHBondContact OD2-NE2 2.92Å
72	E	95.4	Very high	94.4	Very high	41 Å²	41	52 Å²	52	19%	0.192	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	130.9	171.7	178.9	177.5	-144.2	0	0	107.9	V18 A19 S20 F70 K74 R109	V18-E72 HydrophobicContact CG1-CG 4.46Å; A19-E72 CarbonylContact C-O 3.47Å; A19-E72 VanDerWaalsContact CA-O 3.25Å; A19-E72 WeakPolarHBondContact CA-O 3.4Å; S20-E72 PolarHBondContact N-O 3.08Å; S20-E72 PolarHBondContact OG-OE2 3.04Å; F70-E72 VanDerWaalsContact C-N 3.31Å; F70-E72 WeakPolarHBondContact CB-O 3.29Å; E72-K74 WeakPolarHBondContact OE1-CE 3.32Å; E72-K74 IonicContact OE1-NZ 3.54Å; E72-K74 PolarHBondContact OE1-NZ 3.23Å; E72-R109 IonicContact OE2-NE 2.66Å; E72-R109 IonicContact OE2-NH2 3.34Å
73	F	96.4	Very high	94.5	Very high	38 Å²	38	54 Å²	54	17%	0.167	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	116.3	176.7	-168.9	-95.9	0	0	0	110	L17 V18 A19 T45 I49 A67 F70 V75	L17-F73 HydrophobicContact CD1-CE2 4.06Å; L17-F73 HydrophobicContact CD1-CZ 4.23Å; V18-F73 CarbonylContact O-C 3.55Å; V18-F73 WeakPolarHBondContact O-CA 3.09Å; A19-F73 HydrophobicContact CB-CD2 3.75Å; A19-F73 HydrophobicContact CB-CE2 4.1Å; T45-F73 WeakPolarHBondContact O-CE1 3.35Å; T45-F73 WeakPolarHBondContact O-CZ 3.4Å; I49-F73 HydrophobicContact CD1-CE2 3.9Å; I49-F73 HydrophobicContact CG1-CE2 3.55Å; I49-F73 HydrophobicContact CG1-CZ 3.89Å; A67-F73 HydrophobicContact CB-CB 4.39Å; A67-F73 HydrophobicContact CB-CD1 3.47Å; A67-F73 VanDerWaalsContact CB-CD1 3.47Å; A67-F73 HydrophobicContact CB-CE1 3.9Å; A67-F73 HydrophobicContact CB-CG 3.95Å; F70-F73 HydrophobicContact CB-CB 3.96Å; F70-F73 HydrophobicContact CB-CD2 4.28Å; F70-F73 HydrophobicContact CD1-CD2 4.42Å; F70-F73 HydrophobicContact CD2-CB 4.45Å; F70-F73 AromaticContact CD2-CD2 3.5Å; F70-F73 HydrophobicContact CD2-CD2 3.5Å; F70-F73 VanDerWaalsContact CD2-CD2 3.5Å; F70-F73 HydrophobicContact CD2-CE2 4.08Å; F70-F73 HydrophobicContact CD2-CG 4.17Å; F70-F73 AromaticContact CE2-CD2 3.84Å; F70-F73 HydrophobicContact CE2-CD2 3.84Å; F70-F73 AromaticContact CE2-CE2 3.94Å; F70-F73 HydrophobicContact CE2-CE2 3.94Å; F70-F73 HydrophobicContact CG-CB 4.42Å; F70-F73 AromaticContact CG-CD2 3.82Å; F70-F73 HydrophobicContact CG-CD2 3.82Å; F70-F73 HydrophobicContact CG-CG 4.5Å; F70-F73 HydrophobicContact CZ-CD2 4.45Å; F70-F73 HydrophobicContact CZ-CE2 4.44Å; F73-V75 HydrophobicContact CE1-CG2 3.69Å; F73-V75 HydrophobicContact CZ-CG2 3.83Å
74	K	96	Very high	94.6	Very high	93 Å²	93	54 Å²	54	40%	0.404	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	131.1	-178.5	-64.9	170.8	179.1	156.2	0	109.1	D12 L17 V18 E72	D12-K74 IonicContact OD2-NZ 2.65Å; D12-K74 PolarHBondContact OD2-NZ 3Å; L17-K74 WeakPolarHBondContact CA-O 3.48Å; V18-K74 HydrophobicContact CB-CB 4.34Å; V18-K74 PolarHBondContact N-O 2.96Å; V18-K74 PolarHBondContact O-N 3.16Å; E72-K74 WeakPolarHBondContact OE1-CE 3.32Å; E72-K74 IonicContact OE1-NZ 3.54Å; E72-K74 PolarHBondContact OE1-NZ 3.23Å
75	V	96.2	Very high	94.8	Very high	14 Å²	14	51.4 Å²	51.4	9%	0.085	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	116.2	168.6	-175.1	0	0	0	0	106.4	S16 L17 A44 F73 V80	S16-V75 CarbonylContact O-C 3.59Å; S16-V75 WeakPolarHBondContact O-CA 3.32Å; L17-V75 HydrophobicContact CD1-CG2 3.84Å; A44-V75 HydrophobicContact CB-CG2 4.34Å; F73-V75 HydrophobicContact CE1-CG2 3.69Å; F73-V75 HydrophobicContact CZ-CG2 3.83Å; V75-V80 HydrophobicContact CG1-CB 4.44Å; V75-V80 HydrophobicContact CG1-CG2 3.79Å
76	Q	92.2	Very high	95	Very high	108 Å²	108	51.4 Å²	51.4	51%	0.505	27%	0.269	S	S	.	.	S	Bend	trans	-77	-35.8	-175.4	-67.2	-163	31.2	0	0	112.3	D12 D13 Y15 S16	D12-Q76 PolarHBondContact O-NE2 2.87Å; D13-Q76 PolarHBondContact O-NE2 3.16Å; Y15-Q76 WeakPolarHBondContact O-CG 3.2Å; Y15-Q76 PolarHBondContact O-NE2 3.37Å; S16-Q76 PolarHBondContact O-N 2.94Å
77	E	90.5	Very high	95.2	Very high	100 Å²	100	48.8 Å²	48.8	47%	0.467	26%	0.26	S	S	.	.	S	Bend	trans	-86.7	175	178.8	-65.5	170.1	-140	0	0	111.3	S16 S79 V80	S16-E77 WeakPolarHBondContact CB-OE1 3.39Å; S16-E77 PolarHBondContact OG-OE1 3.14Å; E77-S79 VanDerWaalsContact C-N 3.31Å; E77-V80 HydrophobicContact CB-CG2 4.25Å
78	E	93.1	Very high	95.4	Very high	180 Å²	180	50.4 Å²	50.4	84%	0.841	27%	0.268	S	S	*	.	S	Bend	trans	-62.9	-42.2	173.1	-178.4	171.3	-169.4	0	0	111.3
79	S	95.1	Very high	95.7	Very high	44 Å²	44	47.3 Å²	47.3	31%	0.308	24%	0.235	S	C	.	.			trans	-151.7	152.9	172.7	67	0	0	0	0	110.3	A44 E77	A44-S79 CarbonylContact O-C 3.6Å; A44-S79 VanDerWaalsContact O-CA 3.28Å; A44-S79 WeakPolarHBondContact O-CA 3.42Å; E77-S79 VanDerWaalsContact C-N 3.31Å
80	V	95.8	Very high	96	Very high	5 Å²	5	47.3 Å²	47.3	3%	0.03	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	123	176.9	171.3	0	0	0	0	107.8	L17 A44 V75 E77 F82 Y112	L17-V80 HydrophobicContact CB-CG1 4.39Å; A44-V80 HydrophobicContact CB-CB 4.42Å; A44-V80 PolarHBondContact N-O 3.13Å; A44-V80 PolarHBondContact O-N 2.74Å; V75-V80 HydrophobicContact CG1-CB 4.44Å; V75-V80 HydrophobicContact CG1-CG2 3.79Å; E77-V80 HydrophobicContact CB-CG2 4.25Å; V80-F82 HydrophobicContact CG1-CD1 4.03Å; V80-F82 HydrophobicContact CG1-CE1 4.22Å; V80-Y112 HydrophobicContact CG1-CD1 3.5Å; V80-Y112 HydrophobicContact CG1-CE1 3.47Å; V80-Y112 VanDerWaalsContact CG1-CE1 3.47Å
81	T	96.6	Very high	96.1	Very high	51 Å²	51	51.4 Å²	51.4	31%	0.313	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	133.6	-178.2	-44.3	0	0	0	0	110.4	T41 C42 F43 P139	T41-T81 HydrophobicContact CG2-CG2 3.95Å; C42-T81 VanDerWaalsContact O-CA 3.3Å; C42-T81 WeakPolarHBondContact O-CA 3.19Å; C42-T81 WeakPolarHBondContact O-CG2 3.35Å; F43-T81 HydrophobicContact CD2-CG2 4.24Å; F43-T81 WeakPolarHBondContact CD2-OG1 3.46Å; T81-P139 HydrophobicContact CG2-CB 3.78Å; T81-P139 HydrophobicContact CG2-CG 3.71Å
82	F	97.2	Very high	96.3	Very high	7 Å²	7	47.2 Å²	47.2	3%	0.031	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	152.4	174.6	56.9	-89.5	0	0	0	110.1	L17 C42 V80 I84 Y112 L119 T136	L17-F82 HydrophobicContact CD2-CE1 3.99Å; L17-F82 HydrophobicContact CD2-CZ 4.34Å; C42-F82 HydrophobicContact CB-CD1 4.4Å; C42-F82 HydrophobicContact CB-CD2 4Å; C42-F82 HydrophobicContact CB-CE1 4.05Å; C42-F82 HydrophobicContact CB-CE2 3.61Å; C42-F82 HydrophobicContact CB-CG 4.38Å; C42-F82 HydrophobicContact CB-CZ 3.64Å; C42-F82 PolarHBondContact N-O 3.29Å; C42-F82 PolarHBondContact O-N 3.3Å; V80-F82 HydrophobicContact CG1-CD1 4.03Å; V80-F82 HydrophobicContact CG1-CE1 4.22Å; F82-I84 HydrophobicContact CD2-CB 4.4Å; F82-I84 HydrophobicContact CE2-CB 4.44Å; F82-I84 HydrophobicContact CE2-CD1 4.41Å; F82-Y112 HydrophobicContact CB-CE1 4.5Å; F82-Y112 HydrophobicContact CB-CE2 4.48Å; F82-Y112 AromaticContact CD1-CD1 3.95Å; F82-Y112 HydrophobicContact CD1-CD1 3.95Å; F82-Y112 AromaticContact CD1-CE1 3.68Å; F82-Y112 HydrophobicContact CD1-CE1 3.68Å; F82-Y112 HydrophobicContact CD1-CE2 4.33Å; F82-Y112 HydrophobicContact CD1-CG 4.36Å; F82-Y112 AromaticContact CD1-CZ 3.88Å; F82-Y112 HydrophobicContact CE1-CD1 4.06Å; F82-Y112 HydrophobicContact CE1-CE1 4.27Å; F82-Y112 HydrophobicContact CE1-CG 4.25Å; F82-Y112 HydrophobicContact CG-CE1 4.34Å; F82-Y112 HydrophobicContact CG-CE2 4.35Å; F82-L119 HydrophobicContact CE2-CD2 4.28Å; F82-L119 HydrophobicContact CZ-CD1 4.31Å; F82-L119 HydrophobicContact CZ-CD2 4.47Å; F82-T136 HydrophobicContact CB-CG2 4.14Å; F82-T136 HydrophobicContact CD2-CG2 3.71Å; F82-T136 HydrophobicContact CE2-CG2 4.4Å; F82-T136 HydrophobicContact CG-CG2 4.09Å
83	R	97.5	Very high	96.3	Very high	49 Å²	49	45.5 Å²	45.5	19%	0.185	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	144.7	170.8	-173.3	-174.2	-168.7	-173.3	18.8	110.3	H39 A40 T136 Q137 E140	H39-R83 HydrophobicContact CB-CG 4.39Å; A40-R83 WeakPolarHBondContact O-CA 3.33Å; A40-R83 WeakPolarHBondContact O-CG 3.3Å; R83-T136 CarbonylContact O-C 3.57Å; R83-T136 VanDerWaalsContact O-CA 3.3Å; R83-T136 WeakPolarHBondContact O-CA 3.4Å; R83-Q137 HydrophobicContact CB-CB 4.05Å; R83-Q137 HydrophobicContact CG-CB 4.49Å; R83-Q137 PolarHBondContact N-O 3.16Å; R83-Q137 PolarHBondContact O-N 3.32Å; R83-E140 IonicContact CZ-OE1 2.88Å; R83-E140 VanDerWaalsContact CZ-OE1 3.29Å; R83-E140 IonicContact CZ-OE2 3.08Å; R83-E140 IonicContact NH1-OE1 2.85Å; R83-E140 PolarHBondContact NH1-OE1 3.4Å; R83-E140 IonicContact NH1-OE2 2.68Å; R83-E140 VanDerWaalsContact NH2-CD 3.3Å; R83-E140 IonicContact NH2-OE1 2.73Å; R83-E140 PolarHBondContact NH2-OE1 3.33Å; R83-E140 IonicContact NH2-OE2 3.67Å; R83-E140 PolarHBondContact NH2-OE2 2.99Å
84	I	97.7	Very high	96.2	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	154.2	-177.1	-165.1	162.5	0	0	0	111.3	H39 A40 F82 L86 L89 L119 I134	H39-I84 VanDerWaalsContact CA-O 3.28Å; H39-I84 WeakPolarHBondContact CA-O 3.22Å; H39-I84 PolarHBondContact ND1-O 3.34Å; A40-I84 PolarHBondContact N-O 2.91Å; A40-I84 PolarHBondContact O-N 2.71Å; F82-I84 HydrophobicContact CD2-CB 4.4Å; F82-I84 HydrophobicContact CE2-CB 4.44Å; F82-I84 HydrophobicContact CE2-CD1 4.41Å; I84-L86 PolarHBondContact O-N 3.44Å; I84-L89 HydrophobicContact CD1-CD2 4.48Å; I84-L89 HydrophobicContact CG2-CD2 4.47Å; I84-L119 HydrophobicContact CD1-CB 4.03Å; I84-L119 HydrophobicContact CD1-CD2 3.44Å; I84-L119 VanDerWaalsContact CD1-CD2 3.44Å; I84-L119 HydrophobicContact CD1-CG 4.37Å; I84-I134 HydrophobicContact CD1-CB 3.94Å; I84-I134 HydrophobicContact CD1-CD1 4.17Å; I84-I134 HydrophobicContact CD1-CG2 3.69Å; I84-I134 HydrophobicContact CG1-CB 4.32Å; I84-I134 HydrophobicContact CG1-CG2 3.52Å
85	N	98.1	Very high	96	Very high	25 Å²	25	45 Å²	45	13%	0.134	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	102	164.2	-171.3	-43.3	0	0	0	108.6	E38 T87 V88 L89	E38-N85 WeakPolarHBondContact CG-ND2 3.18Å; E38-N85 CarbonylContact O-C 3.56Å; E38-N85 WeakPolarHBondContact O-CA 3.35Å; E38-N85 PolarHBondContact O-OD1 2.99Å; E38-N85 PolarHBondContact OE1-ND2 2.83Å; N85-T87 VanDerWaalsContact C-N 3.31Å; N85-T87 PolarHBondContact O-N 2.86Å; N85-T87 WeakPolarHBondContact OD1-CB 3.33Å; N85-T87 PolarHBondContact OD1-N 2.87Å; N85-T87 VanDerWaalsContact OD1-N 3.1Å; N85-V88 HydrophobicContact CB-CB 4.08Å; N85-V88 HydrophobicContact CB-CG2 4.03Å; N85-V88 VanDerWaalsContact CG-CG2 3.49Å; N85-V88 PolarHBondContact O-N 2.86Å; N85-V88 WeakPolarHBondContact OD1-CG2 3.32Å; N85-V88 PolarHBondContact OD1-N 2.73Å; N85-L89 PolarHBondContact O-N 3.47Å
86	L	98	Very high	95.8	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-66	-33	-178.9	-178.7	59.2	0	0	0	111.7	L31 H35 E38 A40 V53 I84 L89 L90	L31-L86 HydrophobicContact CB-CD1 4.25Å; L31-L86 HydrophobicContact CD1-CD1 4.27Å; L31-L86 HydrophobicContact CD2-CD1 4.42Å; H35-L86 HydrophobicContact CB-CD2 4.01Å; E38-L86 PolarHBondContact O-N 2.85Å; A40-L86 HydrophobicContact CB-CB 3.91Å; A40-L86 HydrophobicContact CB-CD2 3.92Å; A40-L86 HydrophobicContact CB-CG 4.33Å; V53-L86 HydrophobicContact CG2-CD2 3.65Å; I84-L86 PolarHBondContact O-N 3.44Å; L86-L89 HydrophobicContact CD1-CD2 4.15Å; L86-L89 PolarHBondContact O-N 3.13Å; L86-L90 HydrophobicContact CD1-CG 4.33Å; L86-L90 HydrophobicContact CG-CD1 4.3Å; L86-L90 WeakPolarHBondContact O-CB 3.44Å; L86-L90 WeakPolarHBondContact O-CG 2.89Å; L86-L90 PolarHBondContact O-N 2.81Å
87	T	97.9	Very high	95.4	Very high	43 Å²	43	43.9 Å²	43.9	26%	0.264	24%	0.242	S	C	.	.	H	α-helix	trans	-62.2	-50.9	174.7	-54.1	0	0	0	0	110.4	H35 E38 N85 L89 L90 D91	H35-T87 PolarHBondContact NE2-OG1 3.05Å; E38-T87 PolarHBondContact O-N 2.92Å; N85-T87 VanDerWaalsContact C-N 3.31Å; N85-T87 PolarHBondContact O-N 2.86Å; N85-T87 WeakPolarHBondContact OD1-CB 3.33Å; N85-T87 PolarHBondContact OD1-N 2.87Å; N85-T87 VanDerWaalsContact OD1-N 3.1Å; T87-L89 VanDerWaalsContact C-N 3.31Å; T87-L89 PolarHBondContact O-N 2.79Å; T87-L90 PolarHBondContact O-N 3.08Å; T87-L90 VanDerWaalsContact O-N 3.16Å; T87-D91 VanDerWaalsContact O-CG 3.3Å; T87-D91 PolarHBondContact O-N 3.41Å
88	V	98.1	Very high	94.6	Very high	58 Å²	58	42.9 Å²	42.9	35%	0.352	25%	0.246	S	C	.	.	H	α-helix	trans	-61	-41.2	177.3	174.4	0	0	0	0	111.1	N85 D91 C92 I134	N85-V88 HydrophobicContact CB-CB 4.08Å; N85-V88 HydrophobicContact CB-CG2 4.03Å; N85-V88 VanDerWaalsContact CG-CG2 3.49Å; N85-V88 PolarHBondContact O-N 2.86Å; N85-V88 WeakPolarHBondContact OD1-CG2 3.32Å; N85-V88 PolarHBondContact OD1-N 2.73Å; V88-D91 PolarHBondContact O-N 3.47Å; V88-C92 PolarHBondContact O-N 3.4Å; V88-C92 PolarHBondContact O-SG 3.2Å; V88-I134 HydrophobicContact CG1-CD1 4.13Å; V88-I134 HydrophobicContact CG1-CG1 4.12Å; V88-I134 HydrophobicContact CG1-CG2 4.18Å
89	L	98.2	Very high	93.4	Very high	6 Å²	6	39 Å²	39	3%	0.031	24%	0.238	C	C	.	.	H	α-helix	trans	-57.2	-51.5	174.3	175.5	58.9	0	0	0	111	L31 I84 N85 L86 T87 D91 C92 L93 L121 I134	L31-L89 HydrophobicContact CD1-CD2 3.77Å; L31-L89 HydrophobicContact CD1-CG 4.3Å; I84-L89 HydrophobicContact CD1-CD2 4.48Å; I84-L89 HydrophobicContact CG2-CD2 4.47Å; N85-L89 PolarHBondContact O-N 3.47Å; L86-L89 HydrophobicContact CD1-CD2 4.15Å; L86-L89 PolarHBondContact O-N 3.13Å; T87-L89 VanDerWaalsContact C-N 3.31Å; T87-L89 PolarHBondContact O-N 2.79Å; L89-D91 VanDerWaalsContact C-N 3.31Å; L89-D91 PolarHBondContact O-N 3.24Å; L89-C92 WeakPolarHBondContact O-CB 3.38Å; L89-C92 PolarHBondContact O-N 3.18Å; L89-L93 HydrophobicContact CD1-CD1 4.29Å; L89-L93 HydrophobicContact CD1-CD2 4.18Å; L89-L93 HydrophobicContact CD1-CG 4.04Å; L89-L93 HydrophobicContact CG-CD1 4.32Å; L89-L93 HydrophobicContact CG-CG 4.41Å; L89-L93 VanDerWaalsContact O-CG 3.27Å; L89-L93 WeakPolarHBondContact O-CG 3.28Å; L89-L93 PolarHBondContact O-N 3.47Å; L89-L121 HydrophobicContact CD1-CD1 3.58Å; L89-L121 HydrophobicContact CD1-CD2 4.16Å; L89-L121 HydrophobicContact CD1-CG 4.5Å; L89-I134 HydrophobicContact CB-CD1 3.94Å; L89-I134 HydrophobicContact CD1-CD1 3.98Å
90	L	97.6	Very high	91.9	Very high	11 Å²	11	39.9 Å²	39.9	6%	0.058	24%	0.243	C	C	.	.	H	α-helix	trans	-60.1	-39.8	178.8	-75.3	174.8	0	0	0	112.9	L31 K32 H35 L86 T87 L93 S94	L31-L90 HydrophobicContact CB-CD2 3.68Å; K32-L90 HydrophobicContact CG-CD1 4.26Å; K32-L90 HydrophobicContact CG-CD2 3.82Å; H35-L90 HydrophobicContact CB-CD1 3.66Å; H35-L90 VanDerWaalsContact CG-CD1 3.49Å; L86-L90 HydrophobicContact CD1-CG 4.33Å; L86-L90 HydrophobicContact CG-CD1 4.3Å; L86-L90 WeakPolarHBondContact O-CB 3.44Å; L86-L90 WeakPolarHBondContact O-CG 2.89Å; L86-L90 PolarHBondContact O-N 2.81Å; T87-L90 PolarHBondContact O-N 3.08Å; T87-L90 VanDerWaalsContact O-N 3.16Å; L90-L93 PolarHBondContact O-N 2.88Å; L90-S94 PolarHBondContact O-N 3.5Å; L90-S94 PolarHBondContact O-OG 2.91Å
91	D	96.7	Very high	90.7	Very high	99 Å²	99	45.9 Å²	45.9	53%	0.529	27%	0.273	S	S	.	.	H	α-helix	trans	-61.5	-48.4	175.5	-67.5	-21.6	0	0	0	110.5	T87 V88 L89 L93 S94 I95	T87-D91 VanDerWaalsContact O-CG 3.3Å; T87-D91 PolarHBondContact O-N 3.41Å; V88-D91 PolarHBondContact O-N 3.47Å; L89-D91 VanDerWaalsContact C-N 3.31Å; L89-D91 PolarHBondContact O-N 3.24Å; D91-L93 VanDerWaalsContact C-N 3.35Å; D91-L93 PolarHBondContact O-N 2.97Å; D91-S94 CarbonylContact O-C 3.5Å; D91-S94 PolarHBondContact O-N 3.3Å; D91-S94 PolarHBondContact O-OG 3.16Å; D91-I95 PolarHBondContact O-N 3.22Å
92	C	97.2	Very high	89.6	Confident	20 Å²	20	49.5 Å²	49.5	14%	0.135	30%	0.297	C	S	.	.	H	α-helix	trans	-59.1	-42.1	175.6	-67.4	0	0	0	0	112.6	V88 L89 S94 I95 L121 C132 I134	V88-C92 PolarHBondContact O-N 3.4Å; V88-C92 PolarHBondContact O-SG 3.2Å; L89-C92 WeakPolarHBondContact O-CB 3.38Å; L89-C92 PolarHBondContact O-N 3.18Å; C92-S94 PolarHBondContact O-N 3.43Å; C92-S94 VanDerWaalsContact O-N 3.16Å; C92-I95 WeakPolarHBondContact O-CG2 3.4Å; C92-I95 PolarHBondContact O-N 3.21Å; C92-L121 HydrophobicContact CB-CD1 3.73Å; C92-C132 HydrophobicContact CB-CB 4Å; C92-C132 VanDerWaalsContact SG-CB 3.55Å; C92-C132 VanDerWaalsContact SG-SG 3.66Å; C92-I134 HydrophobicContact CB-CD1 4.46Å
93	L	95.9	Very high	88.7	Confident	5 Å²	5	53.3 Å²	53.3	3%	0.026	34%	0.338	C	S	.	.	H	α-helix	trans	-66.2	-13.6	177.8	-64.5	-172	0	0	0	113.4	V24 L27 L31 L89 L90 D91 L108 L121	V24-L93 HydrophobicContact CG2-CB 3.98Å; V24-L93 HydrophobicContact CG2-CD1 4.5Å; V24-L93 HydrophobicContact CG2-CD2 3.68Å; V24-L93 HydrophobicContact CG2-CG 4.23Å; L27-L93 HydrophobicContact CD2-CD1 3.95Å; L27-L93 HydrophobicContact CG-CD1 4.09Å; L31-L93 HydrophobicContact CD1-CD1 3.95Å; L89-L93 HydrophobicContact CD1-CD1 4.29Å; L89-L93 HydrophobicContact CD1-CD2 4.18Å; L89-L93 HydrophobicContact CD1-CG 4.04Å; L89-L93 HydrophobicContact CG-CD1 4.32Å; L89-L93 HydrophobicContact CG-CG 4.41Å; L89-L93 VanDerWaalsContact O-CG 3.27Å; L89-L93 WeakPolarHBondContact O-CG 3.28Å; L89-L93 PolarHBondContact O-N 3.47Å; L90-L93 PolarHBondContact O-N 2.88Å; D91-L93 VanDerWaalsContact C-N 3.35Å; D91-L93 PolarHBondContact O-N 2.97Å; L93-L108 HydrophobicContact CD2-CD1 3.95Å; L93-L108 HydrophobicContact CD2-CD2 3.73Å; L93-L108 HydrophobicContact CD2-CG 4.46Å; L93-L121 HydrophobicContact CD2-CD1 4.39Å
94	S	94	Very high	88.1	Confident	34 Å²	34	53.4 Å²	53.4	24%	0.238	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	14.6	-178.1	71.8	0	0	0	0	114.1	L90 D91 C92 F96 G97	L90-S94 PolarHBondContact O-N 3.5Å; L90-S94 PolarHBondContact O-OG 2.91Å; D91-S94 CarbonylContact O-C 3.5Å; D91-S94 PolarHBondContact O-N 3.3Å; D91-S94 PolarHBondContact O-OG 3.16Å; C92-S94 PolarHBondContact O-N 3.43Å; C92-S94 VanDerWaalsContact O-N 3.16Å; S94-F96 VanDerWaalsContact C-N 3.27Å; S94-F96 PolarHBondContact O-N 2.94Å; S94-G97 WeakPolarHBondContact O-CA 3.15Å; S94-G97 PolarHBondContact O-N 3.39Å
95	I	93.5	Very high	87.7	Confident	86 Å²	86	57.4 Å²	57.4	44%	0.441	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-33.2	-174.4	-165.2	153.7	0	0	0	114	D91 C92 G97 L123 T130	D91-I95 PolarHBondContact O-N 3.22Å; C92-I95 WeakPolarHBondContact O-CG2 3.4Å; C92-I95 PolarHBondContact O-N 3.21Å; I95-G97 PolarHBondContact O-N 3.33Å; I95-L123 HydrophobicContact CG2-CD2 4.42Å; I95-T130 HydrophobicContact CD1-CG2 3.66Å
96	F	91.6	Very high	87.5	Confident	54 Å²	54	56.9 Å²	56.9	24%	0.237	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	5.8	174.2	-66.1	-70.3	0	0	0	113.1	S94 T106 L123 E125 V128	S94-F96 VanDerWaalsContact C-N 3.27Å; S94-F96 PolarHBondContact O-N 2.94Å; F96-T106 HydrophobicContact CD2-CG2 3.69Å; F96-T106 HydrophobicContact CE2-CG2 4.25Å; F96-L123 HydrophobicContact CD2-CB 4.31Å; F96-L123 HydrophobicContact CE2-CB 3.78Å; F96-E125 HydrophobicContact CB-CB 4.29Å; F96-E125 HydrophobicContact CD1-CB 3.91Å; F96-E125 HydrophobicContact CD2-CB 3.87Å; F96-E125 HydrophobicContact CE1-CB 4.15Å; F96-E125 HydrophobicContact CE2-CB 4.1Å; F96-E125 HydrophobicContact CG-CB 3.76Å; F96-E125 HydrophobicContact CZ-CB 4.23Å; F96-V128 HydrophobicContact CE1-CB 4.05Å; F96-V128 HydrophobicContact CE1-CG1 3.88Å; F96-V128 HydrophobicContact CZ-CB 4.34Å; F96-V128 HydrophobicContact CZ-CG1 4.15Å; F96-V128 WeakPolarHBondContact CZ-O 3.35Å
97	G	84	Confident	87.4	Confident	45 Å²	45	58.3 Å²	58.3	46%	0.464	38%	0.375	S	S	.	.			trans	104.7	162.5	-179.3	0	0	0	0	0	113.3	S94 I95	S94-G97 WeakPolarHBondContact O-CA 3.15Å; S94-G97 PolarHBondContact O-N 3.39Å; I95-G97 PolarHBondContact O-N 3.33Å
98	S	72.5	Confident	87.3	Confident	78 Å²	78	56.5 Å²	56.5	55%	0.545	36%	0.363	S	S	.	.	S	Bend	trans	-97.5	-17.1	174.9	-71.7	0	0	0	0	113.5	K32	K32-S98 PolarHBondContact NZ-OG 2.92Å
99	S	69.1	Low	87.3	Confident	98 Å²	98	54.3 Å²	54.3	69%	0.685	35%	0.349	S	S	*	.	S	Bend	trans	-95.4	109.1	176.6	57.3	0	0	0	0	109.3	M101	S99-M101 PolarHBondContact O-N 3.38Å
100	P	62.8	Low	87.2	Confident	64 Å²	64	54.6 Å²	54.6	42%	0.416	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-61.8	131.4	176.8	30.2	-38.2	0	0	0	109.1
101	M	70.1	Confident	87.2	Confident	130 Å²	130	54 Å²	54	64%	0.64	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-66.5	139.6	156.8	-68.3	-62.2	-64.9	0	0	107	S99 G103 T104	S99-M101 PolarHBondContact O-N 3.38Å; M101-G103 PolarHBondContact O-N 2.66Å; M101-T104 HydrophobicContact CB-CG2 3.99Å; M101-T104 WeakPolarHBondContact CB-OG1 3.18Å; M101-T104 PolarHBondContact N-OG1 2.99Å; M101-T104 PolarHBondContact O-N 3.42Å; M101-T104 PolarHBondContact O-OG1 2.89Å; M101-T104 VanDerWaalsContact O-OG1 3.14Å
102	P	73.2	Confident	87.2	Confident	128 Å²	128	49.6 Å²	49.6	83%	0.831	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	121.3	178.6	-26.4	33.9	0	0	0	111
103	G	78.1	Confident	87.1	Confident	87 Å²	87	51.5 Å²	51.5	90%	0.897	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	85	1.5	178.5	0	0	0	0	0	116.2	M101	M101-G103 PolarHBondContact O-N 2.66Å
104	T	85.2	Confident	87	Confident	50 Å²	50	51.5 Å²	51.5	31%	0.307	33%	0.331	S	S	.	.			trans	-98.1	130.9	171	67.2	0	0	0	0	110.7	M101	M101-T104 HydrophobicContact CB-CG2 3.99Å; M101-T104 WeakPolarHBondContact CB-OG1 3.18Å; M101-T104 PolarHBondContact N-OG1 2.99Å; M101-T104 PolarHBondContact O-N 3.42Å; M101-T104 PolarHBondContact O-OG1 2.89Å; M101-T104 VanDerWaalsContact O-OG1 3.14Å
105	L	90.4	Very high	87	Confident	85 Å²	85	58 Å²	58	45%	0.445	35%	0.352	S	S	.	.			trans	-121.2	135.3	172.6	-61.5	177.7	0	0	0	108.2	N23	N23-L105 HydrophobicContact CB-CD2 4.29Å
106	T	93.7	Very high	87	Confident	13 Å²	13	56.9 Å²	56.9	8%	0.08	36%	0.362	C	S	.	.			trans	-89.7	118.5	168.8	-61.6	0	0	0	0	108.5	D22 V24 F96 L123 E124 E125	D22-T106 CarbonylContact O-C 3.41Å; V24-T106 HydrophobicContact CB-CG2 4.34Å; V24-T106 HydrophobicContact CG1-CG2 3.89Å; V24-T106 PolarHBondContact N-O 3.39Å; F96-T106 HydrophobicContact CD2-CG2 3.69Å; F96-T106 HydrophobicContact CE2-CG2 4.25Å; T106-L123 HydrophobicContact CG2-CB 4.15Å; T106-L123 HydrophobicContact CG2-CD2 3.97Å; T106-E124 WeakPolarHBondContact CA-O 3.09Å; T106-E125 PolarHBondContact OG1-OE2 3.14Å
107	A	94.9	Very high	87.3	Confident	30 Å²	30	60.2 Å²	60.2	25%	0.248	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	147.3	169.4	0	0	0	0	0	110.3	L21 D22 L123 E124	L21-A107 CarbonylContact O-C 3.48Å; L21-A107 VanDerWaalsContact O-CA 3.27Å; L21-A107 WeakPolarHBondContact O-CA 3.19Å; D22-A107 WeakPolarHBondContact O-CA 3.49Å; A107-L123 CarbonylContact O-C 3.58Å; A107-L123 VanDerWaalsContact O-CA 3.28Å; A107-L123 WeakPolarHBondContact O-CA 3.36Å; A107-E124 PolarHBondContact N-O 2.94Å; A107-E124 PolarHBondContact O-N 2.94Å
108	L	96.8	Very high	87.9	Confident	5 Å²	5	59 Å²	59	3%	0.026	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	137.5	176.6	170.6	70.6	0	0	0	109.3	S20 L21 V24 L27 L93 M110 L121 F122 L123	S20-L108 CarbonylContact C-O 3.51Å; S20-L108 VanDerWaalsContact CA-O 3.29Å; S20-L108 WeakPolarHBondContact CA-O 3.3Å; L21-L108 HydrophobicContact CB-CB 4.36Å; L21-L108 HydrophobicContact CD1-CD2 4.44Å; L21-L108 PolarHBondContact N-O 2.86Å; L21-L108 PolarHBondContact O-N 3.5Å; V24-L108 HydrophobicContact CB-CB 4.16Å; V24-L108 HydrophobicContact CG2-CB 3.99Å; V24-L108 HydrophobicContact CG2-CD2 4.04Å; V24-L108 HydrophobicContact CG2-CG 4.48Å; L27-L108 HydrophobicContact CD2-CD2 3.61Å; L93-L108 HydrophobicContact CD2-CD1 3.95Å; L93-L108 HydrophobicContact CD2-CD2 3.73Å; L93-L108 HydrophobicContact CD2-CG 4.46Å; L108-M110 HydrophobicContact CD1-CG 4.03Å; L108-M110 HydrophobicContact CD2-CG 3.66Å; L108-M110 HydrophobicContact CD2-SD 3.85Å; L108-M110 HydrophobicContact CG-CG 3.83Å; L108-L121 HydrophobicContact CD1-CB 4.14Å; L108-L121 HydrophobicContact CD1-CD2 4.28Å; L108-F122 CarbonylContact C-O 3.55Å; L108-F122 WeakPolarHBondContact CA-O 3.34Å; L108-L123 HydrophobicContact CD1-CD1 4.4Å; L108-L123 HydrophobicContact CD1-CD2 4.24Å; L108-L123 HydrophobicContact CD1-CG 3.92Å
109	R	97.1	Very high	89.1	Confident	13 Å²	13	55.6 Å²	55.6	5%	0.049	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	128.1	161.7	-174.9	166.4	-164.8	-115.2	5.7	109.7	D12 S20 E72 L121 F122	D12-R109 IonicContact OD1-CZ 3.56Å; D12-R109 IonicContact OD1-NH1 2.73Å; D12-R109 IonicContact OD1-NH2 3.7Å; D12-R109 PolarHBondContact OD1-NH2 3.15Å; D12-R109 IonicContact OD2-NH2 3.61Å; S20-R109 WeakPolarHBondContact OG-CG 3.35Å; E72-R109 IonicContact OE2-NE 2.66Å; E72-R109 IonicContact OE2-NH2 3.34Å; R109-L121 CarbonylContact O-C 3.6Å; R109-L121 WeakPolarHBondContact O-CA 3.45Å; R109-F122 HydrophobicContact CB-CB 4.27Å; R109-F122 PolarHBondContact N-O 2.87Å; R109-F122 PolarHBondContact O-N 2.55Å
110	M	97.2	Very high	90.5	Very high	11 Å²	11	53 Å²	53	5%	0.054	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	129.7	178.3	-56.5	-169.2	-67.2	0	0	108.9	V18 A19 L27 I49 F70 L108 L119 M120 L121	V18-M110 CarbonylContact C-O 3.56Å; V18-M110 WeakPolarHBondContact CA-O 3.39Å; A19-M110 HydrophobicContact CB-CB 4.49Å; A19-M110 HydrophobicContact CB-CE 3.75Å; A19-M110 PolarHBondContact N-O 3.5Å; A19-M110 PolarHBondContact O-N 2.92Å; L27-M110 HydrophobicContact CD2-CE 3.93Å; L27-M110 HydrophobicContact CD2-SD 3.72Å; I49-M110 HydrophobicContact CD1-CE 3.83Å; F70-M110 HydrophobicContact CE1-CE 3.99Å; L108-M110 HydrophobicContact CD1-CG 4.03Å; L108-M110 HydrophobicContact CD2-CG 3.66Å; L108-M110 HydrophobicContact CD2-SD 3.85Å; L108-M110 HydrophobicContact CG-CG 3.83Å; M110-L119 HydrophobicContact CB-CD1 4.42Å; M110-M120 WeakPolarHBondContact CA-O 3.14Å; M110-L121 HydrophobicContact CB-CD2 4.22Å; M110-L121 HydrophobicContact CG-CD2 3.63Å; M110-L121 HydrophobicContact SD-CD2 4.07Å
111	C	96.7	Very high	92.2	Very high	0 Å²	0	50 Å²	50	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	131.6	177.5	-56.5	0	0	0	0	110.1	Y15 L17 M120 F122	Y15-C111 HydrophobicContact CD1-CB 3.56Å; Y15-C111 HydrophobicContact CD2-CB 4.39Å; Y15-C111 HydrophobicContact CE1-CB 3.55Å; Y15-C111 HydrophobicContact CE2-CB 4.4Å; Y15-C111 HydrophobicContact CG-CB 4Å; L17-C111 WeakPolarHBondContact O-CA 3.36Å; C111-M120 HydrophobicContact CB-CB 4.42Å; C111-M120 PolarHBondContact N-O 2.8Å; C111-M120 PolarHBondContact O-N 3.01Å; C111-F122 HydrophobicContact CB-CE2 4.32Å
112	Y	97.3	Very high	93.5	Very high	5 Å²	5	45 Å²	45	2%	0.02	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	122.2	177.4	176.8	-111.1	0	0	0	110	Y15 S16 L17 V80 F82 G114 Y117 T136	Y15-Y112 CarbonylContact C-O 3.59Å; S16-Y112 PolarHBondContact N-O 3.47Å; L17-Y112 PolarHBondContact N-O 2.81Å; L17-Y112 PolarHBondContact O-N 3.01Å; V80-Y112 HydrophobicContact CG1-CD1 3.5Å; V80-Y112 HydrophobicContact CG1-CE1 3.47Å; V80-Y112 VanDerWaalsContact CG1-CE1 3.47Å; F82-Y112 HydrophobicContact CB-CE1 4.5Å; F82-Y112 HydrophobicContact CB-CE2 4.48Å; F82-Y112 AromaticContact CD1-CD1 3.95Å; F82-Y112 HydrophobicContact CD1-CD1 3.95Å; F82-Y112 AromaticContact CD1-CE1 3.68Å; F82-Y112 HydrophobicContact CD1-CE1 3.68Å; F82-Y112 HydrophobicContact CD1-CE2 4.33Å; F82-Y112 HydrophobicContact CD1-CG 4.36Å; F82-Y112 AromaticContact CD1-CZ 3.88Å; F82-Y112 HydrophobicContact CE1-CD1 4.06Å; F82-Y112 HydrophobicContact CE1-CE1 4.27Å; F82-Y112 HydrophobicContact CE1-CG 4.25Å; F82-Y112 HydrophobicContact CG-CE1 4.34Å; F82-Y112 HydrophobicContact CG-CE2 4.35Å; Y112-G114 VanDerWaalsContact C-N 3.29Å; Y112-G114 WeakPolarHBondContact CE2-O 3.42Å; Y112-G114 PolarHBondContact O-N 2.88Å; Y112-G114 VanDerWaalsContact OH-C 3.3Å; Y112-G114 PolarHBondContact OH-O 2.92Å; Y112-G114 VanDerWaalsContact OH-O 3.08Å; Y112-Y117 WeakPolarHBondContact CE2-O 3.36Å; Y112-T136 HydrophobicContact CD2-CG2 4.14Å; Y112-T136 HydrophobicContact CE2-CG2 3.59Å
113	Q	95.3	Very high	94.6	Very high	61 Å²	61	39 Å²	39	29%	0.285	23%	0.227	S	C	.	.			trans	-78.9	-10.6	-174.9	-69.8	-177.2	-40	0	0	114.1	Y15 S16 Y117	Y15-Q113 HydrophobicContact CD1-CB 4.32Å; Y15-Q113 HydrophobicContact CD1-CG 3.33Å; Y15-Q113 HydrophobicContact CE1-CG 3.36Å; Y15-Q113 HydrophobicContact CG-CG 4.34Å; S16-Q113 PolarHBondContact OG-O 2.84Å; Q113-Y117 HydrophobicContact CB-CD1 4.07Å; Q113-Y117 HydrophobicContact CB-CD2 4.07Å; Q113-Y117 HydrophobicContact CB-CG 3.71Å; Q113-Y117 VanDerWaalsContact OE1-CE1 3.32Å
114	G	94	Very high	95.4	Very high	5 Å²	5	36.4 Å²	36.4	5%	0.052	19%	0.192	C	C	.	.	S	Bend	trans	113.9	-172.3	-174.7	0	0	0	0	0	112.2	Y112 G116 Y117	Y112-G114 VanDerWaalsContact C-N 3.29Å; Y112-G114 WeakPolarHBondContact CE2-O 3.42Å; Y112-G114 PolarHBondContact O-N 2.88Å; Y112-G114 VanDerWaalsContact OH-C 3.3Å; Y112-G114 PolarHBondContact OH-O 2.92Å; Y112-G114 VanDerWaalsContact OH-O 3.08Å; G114-G116 PolarHBondContact O-N 2.83Å; G114-Y117 WeakPolarHBondContact O-CB 3.49Å; G114-Y117 PolarHBondContact O-N 2.67Å; G114-Y117 VanDerWaalsContact O-N 3.13Å
115	Y	93.8	Very high	95.8	Very high	169 Å²	169	36.1 Å²	36.1	66%	0.663	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.1	132.1	-172.1	-176.5	-95	0	0	0	113.4	Y117 E138	Y115-Y117 VanDerWaalsContact C-N 3.29Å; Y115-Y117 WeakPolarHBondContact O-CD2 3.3Å; Y115-Y117 PolarHBondContact O-N 2.79Å; Y115-E138 WeakPolarHBondContact CE2-OE2 3.26Å; Y115-E138 PolarHBondContact OH-OE2 2.92Å
116	G	94	Very high	95.7	Very high	64 Å²	64	36.1 Å²	36.1	66%	0.66	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.4	-7.2	-179.9	0	0	0	0	0	115.2	G114	G114-G116 PolarHBondContact O-N 2.83Å
117	Y	96.6	Very high	95.5	Very high	123 Å²	123	38.3 Å²	38.3	48%	0.482	23%	0.233	S	C	.	.	S	Bend	trans	-98.2	154.5	176.8	-68.4	-92.2	0	0	0	111.7	Y112 Q113 G114 Y115 T136	Y112-Y117 WeakPolarHBondContact CE2-O 3.36Å; Q113-Y117 HydrophobicContact CB-CD1 4.07Å; Q113-Y117 HydrophobicContact CB-CD2 4.07Å; Q113-Y117 HydrophobicContact CB-CG 3.71Å; Q113-Y117 VanDerWaalsContact OE1-CE1 3.32Å; G114-Y117 WeakPolarHBondContact O-CB 3.49Å; G114-Y117 PolarHBondContact O-N 2.67Å; G114-Y117 VanDerWaalsContact O-N 3.13Å; Y115-Y117 VanDerWaalsContact C-N 3.29Å; Y115-Y117 WeakPolarHBondContact O-CD2 3.3Å; Y115-Y117 PolarHBondContact O-N 2.79Å; Y117-T136 PolarHBondContact O-OG1 3.4Å
118	P	97.5	Very high	95.4	Very high	21 Å²	21	41.1 Å²	41.1	14%	0.136	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-73.3	160	174.8	34.6	-40.4	0	0	0	112.1	M120 K133 I134	P118-M120 HydrophobicContact CB-SD 4.46Å; P118-M120 HydrophobicContact CG-SD 3.9Å; P118-K133 HydrophobicContact CB-CD 4.11Å; P118-K133 HydrophobicContact CB-CG 3.54Å; P118-K133 HydrophobicContact CG-CD 3.92Å; P118-K133 HydrophobicContact CG-CG 3.82Å; P118-I134 CarbonylContact C-O 3.56Å; P118-I134 VanDerWaalsContact CA-O 3.32Å; P118-I134 WeakPolarHBondContact CA-O 3.4Å; P118-I134 WeakPolarHBondContact CB-O 3.35Å
119	L	98.1	Very high	95.3	Very high	6 Å²	6	43.8 Å²	43.8	3%	0.031	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	122.5	161.2	-177.4	67.4	0	0	0	108.8	F82 I84 M110 L121 I134 T136	F82-L119 HydrophobicContact CE2-CD2 4.28Å; F82-L119 HydrophobicContact CZ-CD1 4.31Å; F82-L119 HydrophobicContact CZ-CD2 4.47Å; I84-L119 HydrophobicContact CD1-CB 4.03Å; I84-L119 HydrophobicContact CD1-CD2 3.44Å; I84-L119 VanDerWaalsContact CD1-CD2 3.44Å; I84-L119 HydrophobicContact CD1-CG 4.37Å; M110-L119 HydrophobicContact CB-CD1 4.42Å; L119-L121 HydrophobicContact CD2-CD2 3.86Å; L119-L121 HydrophobicContact CG-CD2 3.96Å; L119-I134 PolarHBondContact N-O 3.47Å; L119-I134 PolarHBondContact O-N 2.88Å; L119-T136 HydrophobicContact CB-CG2 4.33Å
120	M	97.8	Very high	95.2	Very high	43 Å²	43	44.9 Å²	44.9	21%	0.212	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	129.3	175	-60.1	-57.5	-61.3	0	0	109.4	M110 C111 P118 F122 V131 K133	M110-M120 WeakPolarHBondContact CA-O 3.14Å; C111-M120 HydrophobicContact CB-CB 4.42Å; C111-M120 PolarHBondContact N-O 2.8Å; C111-M120 PolarHBondContact O-N 3.01Å; P118-M120 HydrophobicContact CB-SD 4.46Å; P118-M120 HydrophobicContact CG-SD 3.9Å; M120-F122 HydrophobicContact CB-CE2 3.85Å; M120-F122 HydrophobicContact CB-CZ 4.31Å; M120-V131 HydrophobicContact CE-CG1 3.68Å; M120-K133 HydrophobicContact CE-CB 4.18Å; M120-K133 HydrophobicContact SD-CB 3.85Å; M120-K133 HydrophobicContact SD-CD 4.26Å; M120-K133 HydrophobicContact SD-CG 3.81Å
121	L	97.8	Very high	95.2	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	127.8	174.7	-50	175.3	0	0	0	108.5	L89 C92 L93 L108 R109 M110 L119 L123 V131 C132 I134	L89-L121 HydrophobicContact CD1-CD1 3.58Å; L89-L121 HydrophobicContact CD1-CD2 4.16Å; L89-L121 HydrophobicContact CD1-CG 4.5Å; C92-L121 HydrophobicContact CB-CD1 3.73Å; L93-L121 HydrophobicContact CD2-CD1 4.39Å; L108-L121 HydrophobicContact CD1-CB 4.14Å; L108-L121 HydrophobicContact CD1-CD2 4.28Å; R109-L121 CarbonylContact O-C 3.6Å; R109-L121 WeakPolarHBondContact O-CA 3.45Å; M110-L121 HydrophobicContact CB-CD2 4.22Å; M110-L121 HydrophobicContact CG-CD2 3.63Å; M110-L121 HydrophobicContact SD-CD2 4.07Å; L119-L121 HydrophobicContact CD2-CD2 3.86Å; L119-L121 HydrophobicContact CG-CD2 3.96Å; L121-L123 HydrophobicContact CB-CD1 4.03Å; L121-V131 CarbonylContact O-C 3.49Å; L121-V131 VanDerWaalsContact O-CA 3.31Å; L121-V131 WeakPolarHBondContact O-CA 3.46Å; L121-C132 HydrophobicContact CB-CB 4.17Å; L121-C132 HydrophobicContact CD1-CB 4.32Å; L121-C132 PolarHBondContact N-O 3.49Å; L121-C132 PolarHBondContact O-N 3.04Å; L121-I134 HydrophobicContact CD1-CD1 3.63Å; L121-I134 HydrophobicContact CD1-CG1 4.38Å; L121-I134 HydrophobicContact CG-CD1 4.44Å
122	F	97.2	Very high	95.2	Very high	27 Å²	27	48.8 Å²	48.8	12%	0.118	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	116.3	172.4	-54.3	-100.2	0	0	0	107.9	L4 I8 L108 R109 C111 M120 V131	L4-F122 HydrophobicContact CD1-CB 4.28Å; L4-F122 HydrophobicContact CD2-CB 3.31Å; L4-F122 HydrophobicContact CD2-CD1 3.88Å; L4-F122 HydrophobicContact CD2-CG 3.72Å; L4-F122 HydrophobicContact CG-CB 4.4Å; I8-F122 HydrophobicContact CD1-CD1 3.98Å; I8-F122 HydrophobicContact CD1-CE1 3.77Å; I8-F122 HydrophobicContact CD1-CE2 4.33Å; I8-F122 HydrophobicContact CD1-CG 4.37Å; I8-F122 HydrophobicContact CD1-CZ 3.96Å; L108-F122 CarbonylContact C-O 3.55Å; L108-F122 WeakPolarHBondContact CA-O 3.34Å; R109-F122 HydrophobicContact CB-CB 4.27Å; R109-F122 PolarHBondContact N-O 2.87Å; R109-F122 PolarHBondContact O-N 2.55Å; C111-F122 HydrophobicContact CB-CE2 4.32Å; M120-F122 HydrophobicContact CB-CE2 3.85Å; M120-F122 HydrophobicContact CB-CZ 4.31Å; F122-V131 HydrophobicContact CD1-CB 4.43Å; F122-V131 HydrophobicContact CD1-CG1 4.07Å; F122-V131 HydrophobicContact CD1-CG2 3.62Å; F122-V131 HydrophobicContact CE1-CG1 3.94Å; F122-V131 HydrophobicContact CE1-CG2 3.98Å; F122-V131 HydrophobicContact CZ-CG1 4.48Å
123	L	96.7	Very high	95.2	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	137.8	179.2	-61.3	103.4	0	0	0	110	V24 I95 F96 T106 A107 L108 L121 V129 T130	V24-L123 HydrophobicContact CG2-CD2 4.26Å; I95-L123 HydrophobicContact CG2-CD2 4.42Å; F96-L123 HydrophobicContact CD2-CB 4.31Å; F96-L123 HydrophobicContact CE2-CB 3.78Å; T106-L123 HydrophobicContact CG2-CB 4.15Å; T106-L123 HydrophobicContact CG2-CD2 3.97Å; A107-L123 CarbonylContact O-C 3.58Å; A107-L123 VanDerWaalsContact O-CA 3.28Å; A107-L123 WeakPolarHBondContact O-CA 3.36Å; L108-L123 HydrophobicContact CD1-CD1 4.4Å; L108-L123 HydrophobicContact CD1-CD2 4.24Å; L108-L123 HydrophobicContact CD1-CG 3.92Å; L121-L123 HydrophobicContact CB-CD1 4.03Å; L123-V129 CarbonylContact O-C 3.56Å; L123-V129 WeakPolarHBondContact O-CA 3.35Å; L123-T130 PolarHBondContact N-O 3.28Å; L123-T130 PolarHBondContact O-N 3.39Å
124	E	95.1	Very high	95.4	Very high	33 Å²	33	52.3 Å²	52.3	15%	0.154	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	124.7	178.3	-175.6	178.9	167.1	0	0	110.8	P2 L4 T106 A107 V128 V129	P2-E124 VanDerWaalsContact CB-OE2 3.28Å; P2-E124 WeakPolarHBondContact CB-OE2 3.19Å; L4-E124 HydrophobicContact CD1-CB 3.66Å; L4-E124 HydrophobicContact CD1-CG 4.41Å; L4-E124 WeakPolarHBondContact CD1-OE2 3.21Å; T106-E124 WeakPolarHBondContact CA-O 3.09Å; A107-E124 PolarHBondContact N-O 2.94Å; A107-E124 PolarHBondContact O-N 2.94Å; E124-V128 WeakPolarHBondContact CA-O 3.5Å; E124-V129 HydrophobicContact CB-CG2 4.3Å; E124-V129 HydrophobicContact CG-CG2 4Å
125	E	93.6	Very high	95.6	Very high	45 Å²	45	57.6 Å²	57.6	21%	0.21	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	127.6	170.6	-174.9	171.9	99.2	0	0	109.8	F96 T106 G127 V128	F96-E125 HydrophobicContact CB-CB 4.29Å; F96-E125 HydrophobicContact CD1-CB 3.91Å; F96-E125 HydrophobicContact CD2-CB 3.87Å; F96-E125 HydrophobicContact CE1-CB 4.15Å; F96-E125 HydrophobicContact CE2-CB 4.1Å; F96-E125 HydrophobicContact CG-CB 3.76Å; F96-E125 HydrophobicContact CZ-CB 4.23Å; T106-E125 PolarHBondContact OG1-OE2 3.14Å; E125-G127 PolarHBondContact O-N 3Å; E125-G127 VanDerWaalsContact O-N 3.08Å; E125-V128 PolarHBondContact N-O 3.44Å; E125-V128 WeakPolarHBondContact O-CB 3.41Å; E125-V128 PolarHBondContact O-N 3.35Å
126	G	89.4	Confident	95.8	Very high	85 Å²	85	50.8 Å²	50.8	88%	0.876	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	26.4	176.4	0	0	0	0	0	114.8	V128	G126-V128 VanDerWaalsContact C-N 3.29Å; G126-V128 PolarHBondContact O-N 3.34Å
127	G	88.4	Confident	95.9	Very high	59 Å²	59	51.6 Å²	51.6	61%	0.608	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.1	-1.3	-175.8	0	0	0	0	0	114.9	E125	E125-G127 PolarHBondContact O-N 3Å; E125-G127 VanDerWaalsContact O-N 3.08Å
128	V	92.5	Very high	95.8	Very high	88 Å²	88	51.1 Å²	51.1	53%	0.533	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	124.9	170.2	-178.2	0	0	0	0	108.6	F96 E124 E125 G126	F96-V128 HydrophobicContact CE1-CB 4.05Å; F96-V128 HydrophobicContact CE1-CG1 3.88Å; F96-V128 HydrophobicContact CZ-CB 4.34Å; F96-V128 HydrophobicContact CZ-CG1 4.15Å; F96-V128 WeakPolarHBondContact CZ-O 3.35Å; E124-V128 WeakPolarHBondContact CA-O 3.5Å; E125-V128 PolarHBondContact N-O 3.44Å; E125-V128 WeakPolarHBondContact O-CB 3.41Å; E125-V128 PolarHBondContact O-N 3.35Å; G126-V128 VanDerWaalsContact C-N 3.29Å; G126-V128 PolarHBondContact O-N 3.34Å
129	V	94.2	Very high	95.4	Very high	61 Å²	61	51.9 Å²	51.9	37%	0.37	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	133.1	179.8	179.9	0	0	0	0	110	L4 L123 E124	L4-V129 HydrophobicContact CD1-CG1 3.9Å; L4-V129 HydrophobicContact CD1-CG2 4.11Å; L4-V129 HydrophobicContact CG-CG1 4.47Å; L123-V129 CarbonylContact O-C 3.56Å; L123-V129 WeakPolarHBondContact O-CA 3.35Å; E124-V129 HydrophobicContact CB-CG2 4.3Å; E124-V129 HydrophobicContact CG-CG2 4Å
130	T	95.9	Very high	94.8	Very high	37 Å²	37	57 Å²	57	23%	0.227	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	139.2	172.8	-57.8	0	0	0	0	110.6	I95 L123	I95-T130 HydrophobicContact CD1-CG2 3.66Å; L123-T130 PolarHBondContact N-O 3.28Å; L123-T130 PolarHBondContact O-N 3.39Å
131	V	97.1	Very high	94.1	Very high	78 Å²	78	64.2 Å²	64.2	47%	0.473	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	123.2	177.3	-173.5	0	0	0	0	109.5	M120 L121 F122	M120-V131 HydrophobicContact CE-CG1 3.68Å; L121-V131 CarbonylContact O-C 3.49Å; L121-V131 VanDerWaalsContact O-CA 3.31Å; L121-V131 WeakPolarHBondContact O-CA 3.46Å; F122-V131 HydrophobicContact CD1-CB 4.43Å; F122-V131 HydrophobicContact CD1-CG1 4.07Å; F122-V131 HydrophobicContact CD1-CG2 3.62Å; F122-V131 HydrophobicContact CE1-CG1 3.94Å; F122-V131 HydrophobicContact CE1-CG2 3.98Å; F122-V131 HydrophobicContact CZ-CG1 4.48Å
132	C	97.6	Very high	93.4	Very high	15 Å²	15	67 Å²	67	10%	0.101	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	140.4	174.1	-54.8	0	0	0	0	109.9	C92 L121	C92-C132 HydrophobicContact CB-CB 4Å; C92-C132 VanDerWaalsContact SG-CB 3.55Å; C92-C132 VanDerWaalsContact SG-SG 3.66Å; L121-C132 HydrophobicContact CB-CB 4.17Å; L121-C132 HydrophobicContact CD1-CB 4.32Å; L121-C132 PolarHBondContact N-O 3.49Å; L121-C132 PolarHBondContact O-N 3.04Å
133	K	97.5	Very high	92.5	Very high	133 Å²	133	68.6 Å²	68.6	58%	0.578	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117	119.1	174.8	174.8	176.5	162.8	161.8	0	108.4	P118 M120	P118-K133 HydrophobicContact CB-CD 4.11Å; P118-K133 HydrophobicContact CB-CG 3.54Å; P118-K133 HydrophobicContact CG-CD 3.92Å; P118-K133 HydrophobicContact CG-CG 3.82Å; M120-K133 HydrophobicContact CE-CB 4.18Å; M120-K133 HydrophobicContact SD-CB 3.85Å; M120-K133 HydrophobicContact SD-CD 4.26Å; M120-K133 HydrophobicContact SD-CG 3.81Å
134	I	98.1	Very high	91.6	Very high	7 Å²	7	75.2 Å²	75.2	4%	0.036	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	121.3	178.4	-48.5	179.6	0	0	0	108.7	I84 V88 L89 C92 P118 L119 L121 T136	I84-I134 HydrophobicContact CD1-CB 3.94Å; I84-I134 HydrophobicContact CD1-CD1 4.17Å; I84-I134 HydrophobicContact CD1-CG2 3.69Å; I84-I134 HydrophobicContact CG1-CB 4.32Å; I84-I134 HydrophobicContact CG1-CG2 3.52Å; V88-I134 HydrophobicContact CG1-CD1 4.13Å; V88-I134 HydrophobicContact CG1-CG1 4.12Å; V88-I134 HydrophobicContact CG1-CG2 4.18Å; L89-I134 HydrophobicContact CB-CD1 3.94Å; L89-I134 HydrophobicContact CD1-CD1 3.98Å; C92-I134 HydrophobicContact CB-CD1 4.46Å; P118-I134 CarbonylContact C-O 3.56Å; P118-I134 VanDerWaalsContact CA-O 3.32Å; P118-I134 WeakPolarHBondContact CA-O 3.4Å; P118-I134 WeakPolarHBondContact CB-O 3.35Å; L119-I134 PolarHBondContact N-O 3.47Å; L119-I134 PolarHBondContact O-N 2.88Å; L121-I134 HydrophobicContact CD1-CD1 3.63Å; L121-I134 HydrophobicContact CD1-CG1 4.38Å; L121-I134 HydrophobicContact CG-CD1 4.44Å; I134-T136 PolarHBondContact O-N 3.05Å
135	N	98	Very high	90.4	Very high	115 Å²	115	74.4 Å²	74.4	62%	0.615	42%	0.422	S	S	*	.			trans	-66.8	132.6	177.2	-66.7	-23.3	0	0	0	110
136	T	98	Very high	89.1	Confident	26 Å²	26	76.8 Å²	76.8	16%	0.16	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	162.6	172.9	59.1	0	0	0	0	110.4	F82 R83 Y112 Y117 L119 I134	F82-T136 HydrophobicContact CB-CG2 4.14Å; F82-T136 HydrophobicContact CD2-CG2 3.71Å; F82-T136 HydrophobicContact CE2-CG2 4.4Å; F82-T136 HydrophobicContact CG-CG2 4.09Å; R83-T136 CarbonylContact O-C 3.57Å; R83-T136 VanDerWaalsContact O-CA 3.3Å; R83-T136 WeakPolarHBondContact O-CA 3.4Å; Y112-T136 HydrophobicContact CD2-CG2 4.14Å; Y112-T136 HydrophobicContact CE2-CG2 3.59Å; Y117-T136 PolarHBondContact O-OG1 3.4Å; L119-T136 HydrophobicContact CB-CG2 4.33Å; I134-T136 PolarHBondContact O-N 3.05Å
137	Q	96.8	Very high	88	Confident	82 Å²	82	74.2 Å²	74.2	38%	0.383	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	163	178.1	-62.5	174.4	-4.2	0	0	109.4	H39 R83	H39-Q137 PolarHBondContact CE1-NE2 3.32Å; H39-Q137 VanDerWaalsContact CE1-NE2 3.29Å; R83-Q137 HydrophobicContact CB-CB 4.05Å; R83-Q137 HydrophobicContact CG-CB 4.49Å; R83-Q137 PolarHBondContact N-O 3.16Å; R83-Q137 PolarHBondContact O-N 3.32Å
138	E	94.2	Very high	86.7	Confident	113 Å²	113	73.8 Å²	73.8	53%	0.528	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-52.6	130.1	169.6	-166.4	66	-135.8	0	0	109.8	Y115 E140	Y115-E138 WeakPolarHBondContact CE2-OE2 3.26Å; Y115-E138 PolarHBondContact OH-OE2 2.92Å; E138-E140 PolarHBondContact O-N 2.94Å
139	P	89.1	Confident	85.4	Confident	37 Å²	37	74.5 Å²	74.5	24%	0.24	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-58.3	134.5	169.9	-21.8	32.9	0	0	0	111.3	T41 T81	T41-P139 HydrophobicContact CG2-CB 4.49Å; T81-P139 HydrophobicContact CG2-CB 3.78Å; T81-P139 HydrophobicContact CG2-CG 3.71Å
140	E	85.5	Confident	83.8	Confident	112 Å²	112	76.9 Å²	76.9	52%	0.523	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-86.6	145.5	163.6	-70.5	175.6	177.3	0	0	108.8	R83 E138 T142	R83-E140 IonicContact CZ-OE1 2.88Å; R83-E140 VanDerWaalsContact CZ-OE1 3.29Å; R83-E140 IonicContact CZ-OE2 3.08Å; R83-E140 IonicContact NH1-OE1 2.85Å; R83-E140 PolarHBondContact NH1-OE1 3.4Å; R83-E140 IonicContact NH1-OE2 2.68Å; R83-E140 VanDerWaalsContact NH2-CD 3.3Å; R83-E140 IonicContact NH2-OE1 2.73Å; R83-E140 PolarHBondContact NH2-OE1 3.33Å; R83-E140 IonicContact NH2-OE2 3.67Å; R83-E140 PolarHBondContact NH2-OE2 2.99Å; E138-E140 PolarHBondContact O-N 2.94Å; E140-T142 PolarHBondContact O-N 3.02Å; E140-T142 VanDerWaalsContact O-N 3.13Å
141	E	83.9	Confident	82.9	Confident	195 Å²	195	78.6 Å²	78.6	91%	0.911	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-58.9	117.4	169.7	-71.7	-178.3	175.5	0	0	109.4
142	T	83	Confident	82.3	Confident	59 Å²	59	76.8 Å²	76.8	36%	0.362	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-79.8	144	172.7	56	0	0	0	0	109.5	T41 T52 E54 E140 D144	T41-T142 HydrophobicContact CG2-CG2 4.31Å; T52-T142 HydrophobicContact CG2-CG2 3.83Å; E54-T142 WeakPolarHBondContact OE1-CA 3.37Å; E54-T142 WeakPolarHBondContact OE1-CB 3.42Å; E140-T142 PolarHBondContact O-N 3.02Å; E140-T142 VanDerWaalsContact O-N 3.13Å; T142-D144 PolarHBondContact O-N 2.87Å
143	L	77.8	Confident	81.7	Confident	60 Å²	60	77.9 Å²	77.9	31%	0.314	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-62.1	132	172.9	-69.6	169.4	0	0	0	110.6	E54 K57 Q60 F145	E54-L143 PolarHBondContact OE1-N 2.83Å; K57-L143 VanDerWaalsContact CA-CD1 3.44Å; K57-L143 HydrophobicContact CB-CD1 3.62Å; K57-L143 HydrophobicContact CG-CD1 3.96Å; K57-L143 VanDerWaalsContact O-CD1 3.28Å; K57-L143 WeakPolarHBondContact O-CD1 3.5Å; Q60-L143 PolarHBondContact NE2-O 3.04Å; L143-F145 HydrophobicContact CB-CD2 4.21Å; L143-F145 HydrophobicContact CB-CE2 3.87Å; L143-F145 HydrophobicContact CD1-CE2 4.26Å; L143-F145 HydrophobicContact CD1-CZ 4.3Å
144	D	77.8	Confident	81.5	Confident	140 Å²	140	71.5 Å²	71.5	75%	0.749	39%	0.386	S	S	*	.			trans	-87	111.9	159.9	-166.4	-8.9	0	0	0	108	T142 D146	T142-D144 PolarHBondContact O-N 2.87Å; D144-D146 PolarHBondContact O-N 3.47Å; D144-D146 PolarHBondContact OD1-N 2.95Å
145	F	69.6	Low	81.3	Confident	15 Å²	15	74.9 Å²	74.9	7%	0.066	40%	0.4	C	S	.	.			trans	-70.8	-9.7	175.5	-79.4	-98.7	0	0	0	112.1	Q60 L143 F147 R248 F250 Y270	Q60-F145 HydrophobicContact CB-CD2 4.08Å; Q60-F145 HydrophobicContact CB-CE2 3.33Å; Q60-F145 HydrophobicContact CB-CZ 3.94Å; Q60-F145 HydrophobicContact CG-CE2 4.23Å; Q60-F145 VanDerWaalsContact NE2-CE2 3.32Å; L143-F145 HydrophobicContact CB-CD2 4.21Å; L143-F145 HydrophobicContact CB-CE2 3.87Å; L143-F145 HydrophobicContact CD1-CE2 4.26Å; L143-F145 HydrophobicContact CD1-CZ 4.3Å; F145-F147 PolarHBondContact O-N 3.1Å; F145-F147 VanDerWaalsContact O-N 3.13Å; F145-R248 PolarHBondContact O-NH2 3.22Å; F145-F250 AromaticContact CD1-CD1 3.64Å; F145-F250 HydrophobicContact CD1-CD1 3.64Å; F145-F250 AromaticContact CD1-CE1 3.51Å; F145-F250 HydrophobicContact CD1-CE1 3.51Å; F145-F250 HydrophobicContact CE1-CD1 4.11Å; F145-F250 AromaticContact CE1-CE1 3.81Å; F145-F250 HydrophobicContact CE1-CE1 3.81Å; F145-Y270 HydrophobicContact CB-CD1 4.33Å; F145-Y270 HydrophobicContact CB-CG 4.29Å; F145-Y270 HydrophobicContact CD2-CG 4.34Å; F145-Y270 HydrophobicContact CG-CG 4.11Å
146	D	66.1	Low	81.2	Confident	96 Å²	96	69.4 Å²	69.4	51%	0.513	37%	0.371	S	S	.	.			trans	44.5	45.5	-175.3	-171.2	22.4	0	0	0	110.7	D144 C148	D144-D146 PolarHBondContact O-N 3.47Å; D144-D146 PolarHBondContact OD1-N 2.95Å; D146-C148 PolarHBondContact O-N 2.77Å
147	F	66.1	Low	81.2	Confident	30 Å²	30	70 Å²	70	13%	0.132	37%	0.373	C	S	.	.			trans	-77.7	69.5	177.6	-159.6	-86.5	0	0	0	108.4	F145 S149 V152 R244 D246 F250 Y270	F145-F147 PolarHBondContact O-N 3.1Å; F145-F147 VanDerWaalsContact O-N 3.13Å; F147-S149 PolarHBondContact O-N 2.96Å; F147-V152 HydrophobicContact CE1-CG2 3.72Å; F147-V152 HydrophobicContact CZ-CG2 4.16Å; F147-R244 HydrophobicContact CE1-CB 3.97Å; F147-R244 HydrophobicContact CZ-CB 3.73Å; F147-D246 HydrophobicContact CE2-CB 4Å; F147-F250 HydrophobicContact CD2-CB 4.26Å; F147-F250 HydrophobicContact CE2-CB 4.29Å; F147-Y270 HydrophobicContact CB-CD1 4.09Å; F147-Y270 HydrophobicContact CB-CE1 3.53Å; F147-Y270 HydrophobicContact CD1-CE1 4.22Å; F147-Y270 HydrophobicContact CD2-CD1 4.33Å; F147-Y270 HydrophobicContact CD2-CE1 4.27Å; F147-Y270 HydrophobicContact CG-CD1 4.24Å; F147-Y270 AromaticContact CG-CE1 3.74Å; F147-Y270 HydrophobicContact CG-CE1 3.74Å
148	C	61.5	Low	81.1	Confident	51 Å²	51	66.1 Å²	66.1	35%	0.345	36%	0.355	S	S	.	.			trans	-69.6	126.4	179.6	-166.6	0	0	0	0	109.3	D146 T150 N151	D146-C148 PolarHBondContact O-N 2.77Å; C148-T150 PolarHBondContact O-N 2.99Å; C148-T150 PolarHBondContact SG-OG1 3.02Å; C148-N151 PolarHBondContact O-N 3.07Å
149	S	65	Low	81.2	Confident	103 Å²	103	64.1 Å²	64.1	72%	0.72	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-53.9	-19.8	179.8	61.5	0	0	0	0	114.3	F147 N151	F147-S149 PolarHBondContact O-N 2.96Å; S149-N151 VanDerWaalsContact C-N 3.35Å
150	T	61.4	Low	81.5	Confident	110 Å²	110	62.3 Å²	62.3	68%	0.675	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-74	-20	177.7	59.3	0	0	0	0	114.1	C148	C148-T150 PolarHBondContact O-N 2.99Å; C148-T150 PolarHBondContact SG-OG1 3.02Å
151	N	77.6	Confident	81.8	Confident	74 Å²	74	62.3 Å²	62.3	40%	0.396	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-102.6	10.4	-175.9	-65.9	-14.2	0	0	0	113.2	C148 S149 I153 D246	C148-N151 PolarHBondContact O-N 3.07Å; S149-N151 VanDerWaalsContact C-N 3.35Å; N151-I153 PolarHBondContact O-N 2.84Å; N151-D246 WeakPolarHBondContact O-CA 3.29Å
152	V	83.1	Confident	81.8	Confident	40 Å²	40	53.3 Å²	53.3	24%	0.242	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	114.9	178.1	179.1	0	0	0	0	109.4	F147 N154 K155 R244	F147-V152 HydrophobicContact CE1-CG2 3.72Å; F147-V152 HydrophobicContact CZ-CG2 4.16Å; V152-N154 WeakPolarHBondContact CG1-O 3.29Å; V152-K155 HydrophobicContact CG1-CB 4.12Å; V152-R244 HydrophobicContact CG1-CB 4.08Å; V152-R244 HydrophobicContact CG1-CG 4.23Å
153	I	86	Confident	82.1	Confident	37 Å²	37	50.5 Å²	50.5	19%	0.19	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	-48.5	177.1	-65.8	-162.8	0	0	0	110.4	N151 Q217 Q219 T245 N247	N151-I153 PolarHBondContact O-N 2.84Å; I153-Q217 HydrophobicContact CG2-CB 3.87Å; I153-Q219 HydrophobicContact CG2-CG 4.24Å; I153-T245 PolarHBondContact N-O 2.88Å; I153-N247 VanDerWaalsContact CD1-CA 3.42Å; I153-N247 HydrophobicContact CD1-CB 3.63Å; I153-N247 HydrophobicContact CG1-CB 4.19Å
154	N	92.4	Very high	82.6	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	138.8	-177	-65	-40.6	0	0	0	110.3	V152 M181 H214 C215 N216 Q217 Q219 R244 T245	V152-N154 WeakPolarHBondContact CG1-O 3.29Å; N154-M181 HydrophobicContact CB-CB 3.93Å; N154-M181 HydrophobicContact CB-CE 3.69Å; N154-M181 HydrophobicContact CB-CG 4.49Å; N154-M181 HydrophobicContact CB-SD 3.79Å; N154-H214 CarbonylContact C-O 3.57Å; N154-H214 WeakPolarHBondContact CA-O 3.39Å; N154-C215 HydrophobicContact CB-CB 4.35Å; N154-C215 WeakPolarHBondContact OD1-CA 3.4Å; N154-C215 WeakPolarHBondContact OD1-CB 3.37Å; N154-N216 PolarHBondContact OD1-N 3.09Å; N154-Q217 PolarHBondContact ND2-O 2.81Å; N154-Q217 PolarHBondContact OD1-O 2.73Å; N154-Q217 VanDerWaalsContact OD1-O 3.11Å; N154-Q219 PolarHBondContact ND2-OE1 3.17Å; N154-R244 WeakPolarHBondContact O-CA 3.34Å; N154-T245 PolarHBondContact O-N 2.92Å; N154-T245 VanDerWaalsContact O-N 3.08Å
155	K	95.1	Very high	82.9	Confident	77 Å²	77	50.4 Å²	50.4	34%	0.335	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	129.2	177.6	174.1	178.1	178.7	-176.8	0	110.1	V152 H214 I243 R244	V152-K155 HydrophobicContact CG1-CB 4.12Å; K155-H214 HydrophobicContact CB-CB 4.34Å; K155-H214 PolarHBondContact N-O 3.17Å; K155-H214 CarbonylContact O-C 3.52Å; K155-H214 WeakPolarHBondContact O-CA 3.26Å; K155-H214 WeakPolarHBondContact O-CB 3.29Å; K155-H214 PolarHBondContact O-N 2.95Å; K155-I243 WeakPolarHBondContact CA-O 3.05Å; K155-R244 HydrophobicContact CB-CG 4.14Å; K155-R244 HydrophobicContact CD-CG 4.42Å; K155-R244 HydrophobicContact CG-CG 3.95Å
156	I	95.7	Very high	83.5	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	152.7	168.1	63.8	178	0	0	0	110.5	L158 M181 F188 M210 A212 F213 S242 I243	I156-L158 HydrophobicContact CD1-CD1 4.07Å; I156-L158 HydrophobicContact CD1-CG 4.44Å; I156-M181 HydrophobicContact CB-CE 4.2Å; I156-M181 HydrophobicContact CD1-CE 4.12Å; I156-M181 HydrophobicContact CG1-CE 3.8Å; I156-M181 HydrophobicContact CG2-CE 3.65Å; I156-F188 HydrophobicContact CD1-CB 4.09Å; I156-F188 HydrophobicContact CD1-CD1 3.5Å; I156-F188 HydrophobicContact CD1-CD2 3.37Å; I156-F188 HydrophobicContact CD1-CE1 3.65Å; I156-F188 HydrophobicContact CD1-CE2 3.45Å; I156-F188 VanDerWaalsContact CD1-CE2 3.45Å; I156-F188 HydrophobicContact CD1-CG 3.38Å; I156-F188 HydrophobicContact CD1-CZ 3.61Å; I156-M210 HydrophobicContact CB-SD 4.08Å; I156-M210 HydrophobicContact CG2-SD 4.37Å; I156-A212 CarbonylContact C-O 3.59Å; I156-A212 VanDerWaalsContact CA-O 3.26Å; I156-A212 WeakPolarHBondContact CA-O 3.34Å; I156-F213 HydrophobicContact CG2-CD2 3.52Å; I156-F213 HydrophobicContact CG2-CE2 3.79Å; I156-F213 HydrophobicContact CG2-CG 4.37Å; I156-S242 CarbonylContact O-C 3.59Å; I156-S242 WeakPolarHBondContact O-CA 3.44Å; I156-I243 HydrophobicContact CD1-CB 4.07Å; I156-I243 HydrophobicContact CD1-CD1 4.11Å; I156-I243 HydrophobicContact CD1-CG1 4.4Å; I156-I243 HydrophobicContact CG1-CB 3.63Å; I156-I243 HydrophobicContact CG1-CD1 4.45Å; I156-I243 HydrophobicContact CG1-CG1 4.21Å; I156-I243 HydrophobicContact CG1-CG2 4.43Å; I156-I243 PolarHBondContact N-O 3.22Å; I156-I243 PolarHBondContact O-N 3.33Å
157	I	96.4	Very high	84.4	Confident	39 Å²	39	46.5 Å²	46.5	20%	0.2	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	120.8	169.3	-57.3	177.4	0	0	0	107.4	E211 A212 V241	I157-E211 HydrophobicContact CB-CB 4.33Å; I157-E211 HydrophobicContact CG2-CB 4.1Å; I157-E211 PolarHBondContact O-N 2.89Å; I157-A212 HydrophobicContact CB-CB 3.88Å; I157-A212 HydrophobicContact CD1-CB 3.95Å; I157-A212 HydrophobicContact CG1-CB 3.95Å; I157-A212 PolarHBondContact N-O 2.87Å; I157-A212 PolarHBondContact O-N 2.83Å; I157-V241 WeakPolarHBondContact CA-O 3.48Å
158	L	95.7	Very high	85.1	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	149.4	178.7	-71.6	168.6	0	0	0	110.4	I156 S160 L163 F188 Y203 L209 M210 K240 V241 I243	I156-L158 HydrophobicContact CD1-CD1 4.07Å; I156-L158 HydrophobicContact CD1-CG 4.44Å; L158-S160 PolarHBondContact O-N 3.1Å; L158-L163 HydrophobicContact CD1-CD1 4.37Å; L158-F188 HydrophobicContact CD1-CD1 3.89Å; L158-F188 HydrophobicContact CD1-CE1 3.58Å; L158-F188 HydrophobicContact CD1-CZ 4.5Å; L158-Y203 HydrophobicContact CD2-CD1 4.25Å; L158-L209 CarbonylContact C-O 3.59Å; L158-L209 WeakPolarHBondContact CA-O 3.4Å; L158-M210 HydrophobicContact CD2-CB 4.34Å; L158-M210 HydrophobicContact CD2-CE 3.57Å; L158-M210 HydrophobicContact CD2-SD 3.69Å; L158-M210 HydrophobicContact CG-CE 4.38Å; L158-M210 HydrophobicContact CG-SD 4.26Å; L158-K240 WeakPolarHBondContact O-CA 3.49Å; L158-V241 HydrophobicContact CB-CG1 3.95Å; L158-V241 PolarHBondContact N-O 3.25Å; L158-V241 PolarHBondContact O-N 3.4Å; L158-I243 HydrophobicContact CD1-CD1 4.41Å
159	Q	95.8	Very high	86	Confident	70 Å²	70	53.6 Å²	53.6	33%	0.327	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	129.7	160.3	-61.5	-171.4	30.2	0	0	108.8	E161 G162 D208 L209 E211	Q159-E161 PolarHBondContact O-N 3.18Å; Q159-E161 VanDerWaalsContact O-N 3.14Å; Q159-G162 PolarHBondContact O-N 3.34Å; Q159-D208 PolarHBondContact NE2-O 2.86Å; Q159-L209 HydrophobicContact CB-CD2 4.3Å; Q159-L209 PolarHBondContact N-O 2.92Å; Q159-E211 HydrophobicContact CG-CG 4.29Å
160	S	95.1	Very high	86.8	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.7	-26.9	-174.7	-67.3	0	0	0	0	112.9	L158 G162 L163 R164 S238 C239 K240	L158-S160 PolarHBondContact O-N 3.1Å; S160-G162 PolarHBondContact O-N 3.5Å; S160-L163 PolarHBondContact O-N 3.29Å; S160-R164 WeakPolarHBondContact O-CG 3.26Å; S160-R164 PolarHBondContact O-N 2.88Å; S160-S238 WeakPolarHBondContact CB-O 3.18Å; S160-S238 PolarHBondContact OG-O 2.93Å; S160-S238 PolarHBondContact OG-OG 2.71Å; S160-C239 PolarHBondContact N-O 2.82Å; S160-C239 VanDerWaalsContact OG-C 3.23Å; S160-K240 WeakPolarHBondContact OG-CA 3.35Å; S160-K240 PolarHBondContact OG-N 3.33Å; S160-K240 VanDerWaalsContact OG-N 3.1Å
161	E	91.9	Very high	87.9	Confident	112 Å²	112	45.8 Å²	45.8	52%	0.523	23%	0.23	S	C	.	.	H	α-helix	trans	-56	-49.6	177.3	-171.4	169.4	-175.5	0	0	112.7	Q159 L163 R164	Q159-E161 PolarHBondContact O-N 3.18Å; Q159-E161 VanDerWaalsContact O-N 3.14Å; E161-L163 PolarHBondContact O-N 3.27Å; E161-R164 WeakPolarHBondContact O-CB 3.4Å; E161-R164 PolarHBondContact O-N 2.85Å
162	G	84.9	Confident	88.1	Confident	5 Å²	5	46.7 Å²	46.7	5%	0.052	23%	0.233	C	C	.	.	H	α-helix	trans	-65.1	-26.8	179.7	0	0	0	0	0	114.2	Q159 S160 Y203	Q159-G162 PolarHBondContact O-N 3.34Å; S160-G162 PolarHBondContact O-N 3.5Å; G162-Y203 PolarHBondContact O-OH 2.8Å
163	L	88.6	Confident	88.3	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-86.9	-26.9	177.7	-164.7	66.9	0	0	0	112.2	L158 S160 E161 A166 F167 F188 L190 Y203 L235 V241 I243	L158-L163 HydrophobicContact CD1-CD1 4.37Å; S160-L163 PolarHBondContact O-N 3.29Å; E161-L163 PolarHBondContact O-N 3.27Å; L163-A166 PolarHBondContact O-N 2.8Å; L163-F167 HydrophobicContact CD1-CD2 3.93Å; L163-F167 HydrophobicContact CD1-CE2 3.78Å; L163-F167 HydrophobicContact CD2-CD2 4.28Å; L163-F167 HydrophobicContact CD2-CE2 3.87Å; L163-F167 HydrophobicContact CG-CD2 3.66Å; L163-F167 HydrophobicContact CG-CE2 3.69Å; L163-F167 WeakPolarHBondContact O-CD2 3.45Å; L163-F167 PolarHBondContact O-N 2.84Å; L163-F188 HydrophobicContact CD1-CE1 4.45Å; L163-L190 HydrophobicContact CD1-CD1 3.72Å; L163-Y203 HydrophobicContact CD1-CE2 4.49Å; L163-L235 HydrophobicContact CB-CD1 4.03Å; L163-L235 HydrophobicContact CB-CD2 4.21Å; L163-L235 HydrophobicContact CD2-CD1 4.06Å; L163-L235 HydrophobicContact CD2-CD2 4.21Å; L163-L235 HydrophobicContact CG-CD1 4.33Å; L163-L235 HydrophobicContact CG-CD2 3.99Å; L163-V241 HydrophobicContact CD2-CG1 3.64Å; L163-V241 HydrophobicContact CD2-CG2 4.43Å; L163-I243 HydrophobicContact CD2-CD1 3.96Å
164	R	89.4	Confident	88.6	Confident	81 Å²	81	46.9 Å²	46.9	31%	0.306	24%	0.236	S	C	.	.	H	α-helix	trans	-60.2	-46.9	176.7	-82.5	-174.4	-72.8	-106.8	8	111.5	S160 E161 F167 S168 L235 S238	S160-R164 WeakPolarHBondContact O-CG 3.26Å; S160-R164 PolarHBondContact O-N 2.88Å; E161-R164 WeakPolarHBondContact O-CB 3.4Å; E161-R164 PolarHBondContact O-N 2.85Å; R164-F167 PolarHBondContact O-N 2.89Å; R164-S168 WeakPolarHBondContact O-CB 3.35Å; R164-S168 PolarHBondContact O-N 2.96Å; R164-L235 HydrophobicContact CG-CD1 4.36Å; R164-L235 HydrophobicContact CG-CD2 4.25Å; R164-L235 HydrophobicContact CG-CG 3.78Å; R164-L235 PolarHBondContact NH1-O 2.86Å; R164-S238 PolarHBondContact NH1-O 3.27Å
165	E	83.8	Confident	88.6	Confident	117 Å²	117	54.2 Å²	54.2	55%	0.547	27%	0.271	S	S	.	.	H	α-helix	trans	-59.4	-50.2	177.8	-65.4	-179.3	170.5	0	0	110.2	F167 S168 E169	E165-F167 PolarHBondContact O-N 2.86Å; E165-S168 WeakPolarHBondContact O-CB 3.43Å; E165-S168 PolarHBondContact O-N 2.83Å; E165-S168 PolarHBondContact O-OG 3.49Å; E165-E169 WeakPolarHBondContact O-CG 3.48Å; E165-E169 PolarHBondContact O-N 2.76Å; E165-E169 VanDerWaalsContact O-N 3.08Å
166	A	81.9	Confident	88.4	Confident	4 Å²	4	51.6 Å²	51.6	3%	0.033	26%	0.261	C	S	.	.	H	α-helix	trans	-57.5	-47.2	177.1	0	0	0	0	0	113.8	L163 S168 E169 L170 L190 L201 Y203	L163-A166 PolarHBondContact O-N 2.8Å; A166-S168 PolarHBondContact O-N 3Å; A166-E169 PolarHBondContact O-N 3.14Å; A166-E169 VanDerWaalsContact O-N 3.13Å; A166-L170 WeakPolarHBondContact O-CG 3.47Å; A166-L170 PolarHBondContact O-N 2.76Å; A166-L170 VanDerWaalsContact O-N 3.13Å; A166-L190 HydrophobicContact CB-CD1 4.29Å; A166-L201 HydrophobicContact CB-CD1 3.47Å; A166-L201 VanDerWaalsContact CB-CD1 3.47Å; A166-Y203 HydrophobicContact CB-CE2 4.49Å; A166-Y203 WeakPolarHBondContact CB-OH 3.34Å
167	F	83.9	Confident	88.4	Confident	25 Å²	25	51.6 Å²	51.6	11%	0.11	26%	0.261	C	S	.	.	H	α-helix	trans	-65.9	-26.4	178.1	-91.9	-101.7	0	0	0	113.2	L163 R164 E165 E169 L170 L177 L190 T232 L235	L163-F167 HydrophobicContact CD1-CD2 3.93Å; L163-F167 HydrophobicContact CD1-CE2 3.78Å; L163-F167 HydrophobicContact CD2-CD2 4.28Å; L163-F167 HydrophobicContact CD2-CE2 3.87Å; L163-F167 HydrophobicContact CG-CD2 3.66Å; L163-F167 HydrophobicContact CG-CE2 3.69Å; L163-F167 WeakPolarHBondContact O-CD2 3.45Å; L163-F167 PolarHBondContact O-N 2.84Å; R164-F167 PolarHBondContact O-N 2.89Å; E165-F167 PolarHBondContact O-N 2.86Å; F167-E169 VanDerWaalsContact C-N 3.34Å; F167-L170 HydrophobicContact CB-CD1 4.33Å; F167-L170 HydrophobicContact CD1-CD1 3.61Å; F167-L170 HydrophobicContact CD2-CD1 4.45Å; F167-L170 HydrophobicContact CE1-CD1 4.02Å; F167-L170 HydrophobicContact CG-CD1 3.9Å; F167-L177 HydrophobicContact CE1-CD2 4.44Å; F167-L177 HydrophobicContact CZ-CD2 4.19Å; F167-L190 HydrophobicContact CE2-CD1 4.16Å; F167-T232 HydrophobicContact CB-CG2 3.9Å; F167-T232 HydrophobicContact CD1-CG2 3.35Å; F167-T232 HydrophobicContact CE1-CG2 4.18Å; F167-T232 HydrophobicContact CG-CG2 3.94Å; F167-L235 HydrophobicContact CB-CD2 4.06Å; F167-L235 HydrophobicContact CD2-CD2 3.9Å; F167-L235 HydrophobicContact CG-CD2 3.99Å
168	S	82.1	Confident	88.3	Confident	98 Å²	98	51.1 Å²	51.1	69%	0.685	26%	0.258	S	S	*	.	H	α-helix	trans	-75.5	-24.7	174.4	75.4	0	0	0	0	113.2	R164 E165 A166	R164-S168 WeakPolarHBondContact O-CB 3.35Å; R164-S168 PolarHBondContact O-N 2.96Å; E165-S168 WeakPolarHBondContact O-CB 3.43Å; E165-S168 PolarHBondContact O-N 2.83Å; E165-S168 PolarHBondContact O-OG 3.49Å; A166-S168 PolarHBondContact O-N 3Å
169	E	80.9	Confident	88.3	Confident	131 Å²	131	51.4 Å²	51.4	61%	0.612	26%	0.259	S	S	*	.	H	α-helix	trans	-95.9	-4.6	180	-67.5	-178.2	176.8	0	0	113.9	E165 A166 F167 D171	E165-E169 WeakPolarHBondContact O-CG 3.48Å; E165-E169 PolarHBondContact O-N 2.76Å; E165-E169 VanDerWaalsContact O-N 3.08Å; A166-E169 PolarHBondContact O-N 3.14Å; A166-E169 VanDerWaalsContact O-N 3.13Å; F167-E169 VanDerWaalsContact C-N 3.34Å; E169-D171 PolarHBondContact O-N 3.07Å
170	L	81.1	Confident	88.3	Confident	13 Å²	13	48.7 Å²	48.7	7%	0.068	25%	0.248	C	C	.	.	S	Bend	trans	-57.7	133.8	178.5	-68.4	174.9	0	0	0	110.8	A166 F167 M172 L177 T192 I225	A166-L170 WeakPolarHBondContact O-CG 3.47Å; A166-L170 PolarHBondContact O-N 2.76Å; A166-L170 VanDerWaalsContact O-N 3.13Å; F167-L170 HydrophobicContact CB-CD1 4.33Å; F167-L170 HydrophobicContact CD1-CD1 3.61Å; F167-L170 HydrophobicContact CD2-CD1 4.45Å; F167-L170 HydrophobicContact CE1-CD1 4.02Å; F167-L170 HydrophobicContact CG-CD1 3.9Å; L170-M172 PolarHBondContact O-N 2.63Å; L170-L177 HydrophobicContact CD1-CD1 4.41Å; L170-L177 HydrophobicContact CD1-CD2 4.47Å; L170-L177 HydrophobicContact CD2-CD1 3.85Å; L170-T192 HydrophobicContact CB-CG2 4.28Å; L170-T192 HydrophobicContact CD2-CG2 3.66Å; L170-T192 HydrophobicContact CG-CG2 4.48Å; L170-I225 HydrophobicContact CB-CD1 4.09Å; L170-I225 HydrophobicContact CD1-CD1 4.09Å
171	D	83.6	Confident	88.4	Confident	36 Å²	36	48.8 Å²	48.8	19%	0.193	25%	0.248	C	C	.	.			trans	-66.7	103.3	175	-172.9	-15.1	0	0	0	109.6	E169 T173 S174 G194	E169-D171 PolarHBondContact O-N 3.07Å; D171-T173 VanDerWaalsContact CG-OG1 3.23Å; D171-T173 PolarHBondContact O-N 3.17Å; D171-T173 VanDerWaalsContact O-N 3.15Å; D171-T173 WeakPolarHBondContact OD1-CA 3.23Å; D171-T173 VanDerWaalsContact OD1-CB 3.28Å; D171-T173 WeakPolarHBondContact OD1-CB 3.34Å; D171-T173 PolarHBondContact OD1-N 2.75Å; D171-T173 PolarHBondContact OD1-OG1 3.47Å; D171-T173 PolarHBondContact OD2-OG1 3.37Å; D171-S174 WeakPolarHBondContact O-CB 3.35Å; D171-S174 PolarHBondContact O-N 2.64Å; D171-G194 VanDerWaalsContact OD2-CA 3.29Å; D171-G194 WeakPolarHBondContact OD2-CA 3.3Å
172	M	82.1	Confident	88.6	Confident	94 Å²	94	43.8 Å²	43.8	46%	0.463	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-6.2	-179.6	-63.8	-59.1	-34.6	0	0	113.7	L170 S174 K229	L170-M172 PolarHBondContact O-N 2.63Å; M172-S174 VanDerWaalsContact C-N 3.35Å; M172-K229 HydrophobicContact CE-CD 3.73Å
173	T	88.5	Confident	89.2	Confident	73 Å²	73	45.7 Å²	45.7	45%	0.448	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-13.3	170.7	72.7	0	0	0	0	112.7	D171 G194 N195	D171-T173 VanDerWaalsContact CG-OG1 3.23Å; D171-T173 PolarHBondContact O-N 3.17Å; D171-T173 VanDerWaalsContact O-N 3.15Å; D171-T173 WeakPolarHBondContact OD1-CA 3.23Å; D171-T173 VanDerWaalsContact OD1-CB 3.28Å; D171-T173 WeakPolarHBondContact OD1-CB 3.34Å; D171-T173 PolarHBondContact OD1-N 2.75Å; D171-T173 PolarHBondContact OD1-OG1 3.47Å; D171-T173 PolarHBondContact OD2-OG1 3.37Å; T173-G194 WeakPolarHBondContact OG1-CA 3.28Å; T173-N195 PolarHBondContact OG1-N 2.67Å; T173-N195 VanDerWaalsContact OG1-N 3.11Å
174	S	91.7	Very high	89.5	Confident	7 Å²	7	50.9 Å²	50.9	5%	0.049	27%	0.265	C	S	.	.			trans	-74.4	144.9	172.9	-164.2	0	0	0	0	111.2	D171 M172 V176 F193 I225	D171-S174 WeakPolarHBondContact O-CB 3.35Å; D171-S174 PolarHBondContact O-N 2.64Å; M172-S174 VanDerWaalsContact C-N 3.35Å; S174-V176 PolarHBondContact OG-N 3.13Å; S174-V176 PolarHBondContact OG-O 3.4Å; S174-V176 VanDerWaalsContact OG-O 3.05Å; S174-F193 WeakPolarHBondContact CA-O 3.36Å; S174-F193 VanDerWaalsContact CB-O 3.28Å; S174-F193 WeakPolarHBondContact CB-O 3.37Å; S174-F193 PolarHBondContact OG-N 2.61Å; S174-F193 PolarHBondContact OG-O 3.13Å; S174-I225 WeakPolarHBondContact O-CG2 3.11Å
175	E	91.3	Very high	89.8	Confident	155 Å²	155	55.1 Å²	55.1	72%	0.724	29%	0.286	S	S	*	.	S	Bend	trans	-84.9	-22.1	172.1	-62.9	-173.2	165.8	0	0	112.1	K224 I225	E175-K224 WeakPolarHBondContact O-CA 3.43Å; E175-I225 PolarHBondContact O-N 3.36Å
176	V	92.8	Very high	90.3	Very high	22 Å²	22	50.9 Å²	50.9	13%	0.133	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	134.1	-167.2	176.2	0	0	0	0	111.2	S174 R222 Y223	S174-V176 PolarHBondContact OG-N 3.13Å; S174-V176 PolarHBondContact OG-O 3.4Å; S174-V176 VanDerWaalsContact OG-O 3.05Å; V176-R222 HydrophobicContact CG1-CB 3.51Å; V176-R222 HydrophobicContact CG1-CG 3.61Å; V176-Y223 CarbonylContact C-O 3.51Å; V176-Y223 WeakPolarHBondContact CA-O 3.28Å
177	L	93.8	Very high	91	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	115.6	161.6	178.1	63.3	0	0	0	108.4	F167 L170 I179 L190 T192 Y223 I225 L228	F167-L177 HydrophobicContact CE1-CD2 4.44Å; F167-L177 HydrophobicContact CZ-CD2 4.19Å; L170-L177 HydrophobicContact CD1-CD1 4.41Å; L170-L177 HydrophobicContact CD1-CD2 4.47Å; L170-L177 HydrophobicContact CD2-CD1 3.85Å; L177-I179 HydrophobicContact CD2-CG1 4.49Å; L177-I179 HydrophobicContact CG-CG1 4.3Å; L177-L190 HydrophobicContact CD1-CB 4.2Å; L177-L190 HydrophobicContact CD1-CD2 4.44Å; L177-T192 HydrophobicContact CD1-CG2 4.02Å; L177-Y223 PolarHBondContact N-O 2.97Å; L177-Y223 PolarHBondContact O-N 2.92Å; L177-I225 HydrophobicContact CB-CB 4.33Å; L177-I225 HydrophobicContact CB-CG1 4.27Å; L177-L228 HydrophobicContact CD2-CD1 4.08Å
178	Q	95.3	Very high	91.6	Very high	29 Å²	29	51.2 Å²	51.2	14%	0.136	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	126.8	171.9	179.5	-179.7	-62.9	0	0	109.8	S191 F193 V220 N221 R222	Q178-S191 PolarHBondContact N-O 3.27Å; Q178-S191 PolarHBondContact O-N 3.03Å; Q178-F193 HydrophobicContact CB-CE2 3.8Å; Q178-F193 HydrophobicContact CB-CZ 4.34Å; Q178-V220 HydrophobicContact CG-CG1 3.49Å; Q178-V220 VanDerWaalsContact CG-CG1 3.49Å; Q178-N221 CarbonylContact C-O 3.59Å; Q178-N221 WeakPolarHBondContact CA-O 3.49Å; Q178-R222 HydrophobicContact CB-CG 4Å; Q178-R222 HydrophobicContact CG-CG 4.1Å
179	I	95.7	Very high	92.2	Very high	6 Å²	6	49.9 Å²	49.9	3%	0.031	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	120.5	175.3	-58.4	-175.1	0	0	0	108.4	L177 M181 F188 L190 V220 N221 Y223 L251	L177-I179 HydrophobicContact CD2-CG1 4.49Å; L177-I179 HydrophobicContact CG-CG1 4.3Å; I179-M181 HydrophobicContact CG2-CG 4.11Å; I179-F188 HydrophobicContact CG2-CD2 4.29Å; I179-F188 HydrophobicContact CG2-CE2 3.61Å; I179-L190 HydrophobicContact CD1-CD2 4.32Å; I179-L190 HydrophobicContact CG1-CD2 3.83Å; I179-V220 WeakPolarHBondContact O-CA 3.43Å; I179-N221 PolarHBondContact N-O 2.82Å; I179-N221 PolarHBondContact O-N 2.68Å; I179-Y223 HydrophobicContact CB-CE2 4.05Å; I179-Y223 HydrophobicContact CD1-CD2 3.91Å; I179-Y223 HydrophobicContact CD1-CE2 3.76Å; I179-Y223 HydrophobicContact CG1-CD2 4Å; I179-Y223 HydrophobicContact CG1-CE2 3.93Å; I179-L251 HydrophobicContact CD1-CD1 3.96Å; I179-L251 HydrophobicContact CD1-CD2 3.65Å; I179-L251 HydrophobicContact CD1-CG 4.48Å
180	T	96.5	Very high	92.9	Very high	14 Å²	14	43.8 Å²	43.8	9%	0.086	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	126.7	172.5	-61	0	0	0	0	109.1	F188 R189 Q219 V220	T180-F188 WeakPolarHBondContact O-CA 3.38Å; T180-R189 PolarHBondContact N-O 3.22Å; T180-R189 PolarHBondContact O-N 3.48Å; T180-Q219 WeakPolarHBondContact CA-O 3.12Å; T180-V220 HydrophobicContact CG2-CG2 3.98Å
181	M	96.9	Very high	93.5	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.01	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	121.3	173.3	-64.2	177.9	87	0	0	108.2	N154 I156 I179 Y187 F188 T218 Q219 T245	N154-M181 HydrophobicContact CB-CB 3.93Å; N154-M181 HydrophobicContact CB-CE 3.69Å; N154-M181 HydrophobicContact CB-CG 4.49Å; N154-M181 HydrophobicContact CB-SD 3.79Å; I156-M181 HydrophobicContact CB-CE 4.2Å; I156-M181 HydrophobicContact CD1-CE 4.12Å; I156-M181 HydrophobicContact CG1-CE 3.8Å; I156-M181 HydrophobicContact CG2-CE 3.65Å; I179-M181 HydrophobicContact CG2-CG 4.11Å; M181-Y187 CarbonylContact C-O 3.42Å; M181-Y187 WeakPolarHBondContact CA-O 3.45Å; M181-F188 HydrophobicContact CG-CD2 3.93Å; M181-F188 HydrophobicContact CG-CE2 4.35Å; M181-T218 CarbonylContact O-C 3.59Å; M181-T218 WeakPolarHBondContact O-CA 3.26Å; M181-Q219 PolarHBondContact N-O 2.77Å; M181-Q219 PolarHBondContact O-N 2.89Å; M181-T245 HydrophobicContact SD-CG2 3.88Å
182	S	96.4	Very high	94	Very high	7 Å²	7	41.6 Å²	41.6	5%	0.049	21%	0.208	C	C	.	.			trans	-144.7	142.3	-170.4	176.8	0	0	0	0	111.9	D184 Y187 F213 T218	S182-D184 VanDerWaalsContact CB-O 3.25Å; S182-D184 WeakPolarHBondContact CB-O 3.35Å; S182-D184 PolarHBondContact O-N 3.28Å; S182-D184 PolarHBondContact OG-N 3.19Å; S182-D184 VanDerWaalsContact OG-N 3.07Å; S182-D184 PolarHBondContact OG-O 2.92Å; S182-Y187 PolarHBondContact N-O 3.22Å; S182-Y187 WeakPolarHBondContact O-CA 3.49Å; S182-F213 VanDerWaalsContact O-CZ 3.26Å; S182-F213 WeakPolarHBondContact O-CZ 3.37Å; S182-T218 PolarHBondContact OG-OG1 3.47Å; S182-T218 VanDerWaalsContact OG-OG1 3.12Å
183	P	95.8	Very high	94.5	Very high	45 Å²	45	40.8 Å²	40.8	29%	0.292	20%	0.202	S	C	.	.	S	Bend	trans	-62.8	-24.2	168.3	26.8	-34.1	0	0	0	112.6	Y187	P183-Y187 WeakPolarHBondContact O-CD1 3.37Å; P183-Y187 WeakPolarHBondContact O-CE1 3.42Å
184	D	95.4	Very high	94.6	Very high	110 Å²	110	38.1 Å²	38.1	59%	0.588	19%	0.189	S	C	*	.	S	Bend	trans	-103	161.6	179.4	-62.4	-53.7	0	0	0	112.1	S182 Y187	S182-D184 VanDerWaalsContact CB-O 3.25Å; S182-D184 WeakPolarHBondContact CB-O 3.35Å; S182-D184 PolarHBondContact O-N 3.28Å; S182-D184 PolarHBondContact OG-N 3.19Å; S182-D184 VanDerWaalsContact OG-N 3.07Å; S182-D184 PolarHBondContact OG-O 2.92Å; D184-Y187 WeakPolarHBondContact O-CA 3.31Å; D184-Y187 PolarHBondContact O-N 3.26Å
185	K	95.5	Very high	94.5	Very high	170 Å²	170	45 Å²	45	74%	0.739	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.7	138.1	175.7	-73	-176.2	178	-176.3	0	110.7	Y187	K185-Y187 VanDerWaalsContact C-N 3.32Å; K185-Y187 HydrophobicContact CB-CE2 4.45Å; K185-Y187 HydrophobicContact CG-CD2 4.22Å; K185-Y187 HydrophobicContact CG-CE1 4.48Å; K185-Y187 HydrophobicContact CG-CE2 3.51Å
186	P	94.7	Very high	94.3	Very high	28 Å²	28	42.6 Å²	42.6	18%	0.182	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	cis	-85.3	10.7	10.6	36.5	-39	0	0	0	114.8	F188 R189 D202	P186-F188 PolarHBondContact O-N 3.22Å; P186-R189 HydrophobicContact CB-CB 4.41Å; P186-R189 HydrophobicContact CG-CB 3.76Å; P186-D202 HydrophobicContact CB-CB 4.33Å
187	Y	96.1	Very high	94.2	Very high	36 Å²	36	43.5 Å²	43.5	14%	0.141	25%	0.246	C	C	.	.	S	Bend	trans	68.5	-87.7	-174.8	-48.3	-69.4	0	0	0	112.5	M181 S182 P183 D184 K185 K205 F213	M181-Y187 CarbonylContact C-O 3.42Å; M181-Y187 WeakPolarHBondContact CA-O 3.45Å; S182-Y187 PolarHBondContact N-O 3.22Å; S182-Y187 WeakPolarHBondContact O-CA 3.49Å; P183-Y187 WeakPolarHBondContact O-CD1 3.37Å; P183-Y187 WeakPolarHBondContact O-CE1 3.42Å; D184-Y187 WeakPolarHBondContact O-CA 3.31Å; D184-Y187 PolarHBondContact O-N 3.26Å; K185-Y187 VanDerWaalsContact C-N 3.32Å; K185-Y187 HydrophobicContact CB-CE2 4.45Å; K185-Y187 HydrophobicContact CG-CD2 4.22Å; K185-Y187 HydrophobicContact CG-CE1 4.48Å; K185-Y187 HydrophobicContact CG-CE2 3.51Å; Y187-K205 HydrophobicContact CD1-CB 4.38Å; Y187-K205 HydrophobicContact CD1-CD 4.02Å; Y187-K205 HydrophobicContact CD1-CG 4.28Å; Y187-K205 HydrophobicContact CD2-CB 4.38Å; Y187-K205 HydrophobicContact CD2-CG 4.24Å; Y187-K205 HydrophobicContact CE1-CD 3.74Å; Y187-K205 HydrophobicContact CE1-CG 4.2Å; Y187-K205 HydrophobicContact CE2-CD 4.49Å; Y187-K205 HydrophobicContact CE2-CG 4.11Å; Y187-K205 HydrophobicContact CG-CB 4.16Å; Y187-K205 HydrophobicContact CG-CG 4.29Å; Y187-F213 HydrophobicContact CD1-CE1 4.38Å; Y187-F213 HydrophobicContact CD1-CZ 4.2Å; Y187-F213 HydrophobicContact CG-CZ 4.34Å
188	F	96.6	Very high	94.1	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	121.7	174.7	177.6	-121.9	0	0	0	109.7	I156 L158 L163 I179 T180 M181 P186 L190 Y203 F213 I243	I156-F188 HydrophobicContact CD1-CB 4.09Å; I156-F188 HydrophobicContact CD1-CD1 3.5Å; I156-F188 HydrophobicContact CD1-CD2 3.37Å; I156-F188 HydrophobicContact CD1-CE1 3.65Å; I156-F188 HydrophobicContact CD1-CE2 3.45Å; I156-F188 VanDerWaalsContact CD1-CE2 3.45Å; I156-F188 HydrophobicContact CD1-CG 3.38Å; I156-F188 HydrophobicContact CD1-CZ 3.61Å; L158-F188 HydrophobicContact CD1-CD1 3.89Å; L158-F188 HydrophobicContact CD1-CE1 3.58Å; L158-F188 HydrophobicContact CD1-CZ 4.5Å; L163-F188 HydrophobicContact CD1-CE1 4.45Å; I179-F188 HydrophobicContact CG2-CD2 4.29Å; I179-F188 HydrophobicContact CG2-CE2 3.61Å; T180-F188 WeakPolarHBondContact O-CA 3.38Å; M181-F188 HydrophobicContact CG-CD2 3.93Å; M181-F188 HydrophobicContact CG-CE2 4.35Å; P186-F188 PolarHBondContact O-N 3.22Å; F188-L190 HydrophobicContact CE1-CD2 4.28Å; F188-L190 HydrophobicContact CE1-CG 4.22Å; F188-L190 HydrophobicContact CE2-CD2 4.1Å; F188-L190 HydrophobicContact CZ-CD2 3.6Å; F188-L190 HydrophobicContact CZ-CG 4.05Å; F188-Y203 AromaticContact CD1-CD2 3.43Å; F188-Y203 HydrophobicContact CD1-CD2 3.43Å; F188-Y203 VanDerWaalsContact CD1-CD2 3.43Å; F188-Y203 HydrophobicContact CD1-CE2 4.21Å; F188-Y203 AromaticContact CD1-CG 3.75Å; F188-Y203 HydrophobicContact CD1-CG 3.75Å; F188-Y203 AromaticContact CE1-CD2 3.76Å; F188-Y203 HydrophobicContact CE1-CD2 3.76Å; F188-Y203 HydrophobicContact CE1-CE2 4.07Å; F188-Y203 HydrophobicContact CE1-CG 4.34Å; F188-Y203 HydrophobicContact CG-CD2 4.48Å; F188-Y203 PolarHBondContact O-N 2.88Å; F188-F213 HydrophobicContact CB-CE2 4.5Å; F188-I243 HydrophobicContact CE1-CD1 4.28Å; F188-I243 HydrophobicContact CE2-CD1 4.41Å; F188-I243 HydrophobicContact CZ-CD1 3.68Å
189	R	95.5	Very high	94	Very high	70 Å²	70	47.9 Å²	47.9	26%	0.264	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	133.3	178.7	167.7	-178.8	-70.8	178.3	0.5	110.8	T180 P186 S191 L201 D202	T180-R189 PolarHBondContact N-O 3.22Å; T180-R189 PolarHBondContact O-N 3.48Å; P186-R189 HydrophobicContact CB-CB 4.41Å; P186-R189 HydrophobicContact CG-CB 3.76Å; R189-S191 WeakPolarHBondContact CD-OG 3.34Å; R189-S191 WeakPolarHBondContact CG-OG 3.4Å; R189-L201 VanDerWaalsContact CA-O 3.29Å; R189-L201 WeakPolarHBondContact CA-O 3.37Å; R189-D202 WeakPolarHBondContact CB-OD1 3.38Å; R189-D202 WeakPolarHBondContact CG-OD1 3.35Å; R189-D202 IonicContact CZ-OD1 3.36Å; R189-D202 IonicContact CZ-OD2 3.66Å; R189-D202 IonicContact NE-OD1 2.64Å; R189-D202 PolarHBondContact NE-OD1 3.15Å; R189-D202 IonicContact NE-OD2 3.72Å; R189-D202 IonicContact NH2-OD1 3.22Å; R189-D202 PolarHBondContact NH2-OD1 2.89Å; R189-D202 IonicContact NH2-OD2 2.74Å; R189-D202 PolarHBondContact NH2-OD2 3.2Å
190	L	94.8	Very high	93.8	Very high	3 Å²	3	51.6 Å²	51.6	2%	0.016	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	130.5	164.8	-60	-179.4	0	0	0	108.5	L163 A166 F167 L177 I179 F188 H200 L201 Y203	L163-L190 HydrophobicContact CD1-CD1 3.72Å; A166-L190 HydrophobicContact CB-CD1 4.29Å; F167-L190 HydrophobicContact CE2-CD1 4.16Å; L177-L190 HydrophobicContact CD1-CB 4.2Å; L177-L190 HydrophobicContact CD1-CD2 4.44Å; I179-L190 HydrophobicContact CD1-CD2 4.32Å; I179-L190 HydrophobicContact CG1-CD2 3.83Å; F188-L190 HydrophobicContact CE1-CD2 4.28Å; F188-L190 HydrophobicContact CE1-CG 4.22Å; F188-L190 HydrophobicContact CE2-CD2 4.1Å; F188-L190 HydrophobicContact CZ-CD2 3.6Å; F188-L190 HydrophobicContact CZ-CG 4.05Å; L190-H200 WeakPolarHBondContact O-CA 3.18Å; L190-L201 HydrophobicContact CB-CB 4.38Å; L190-L201 PolarHBondContact N-O 2.7Å; L190-L201 PolarHBondContact O-N 3.11Å; L190-Y203 HydrophobicContact CD1-CE2 4.28Å; L190-Y203 HydrophobicContact CG-CE2 4.5Å
191	S	94.2	Very high	93.7	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.007	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	137.4	177.8	-47.7	0	0	0	0	111.9	Q178 R189 S199 H200	Q178-S191 PolarHBondContact N-O 3.27Å; Q178-S191 PolarHBondContact O-N 3.03Å; R189-S191 WeakPolarHBondContact CD-OG 3.34Å; R189-S191 WeakPolarHBondContact CG-OG 3.4Å; S191-S199 VanDerWaalsContact CA-O 3.24Å; S191-S199 WeakPolarHBondContact CA-O 3.37Å; S191-H200 VanDerWaalsContact CB-ND1 3.3Å; S191-H200 WeakPolarHBondContact CB-ND1 3.3Å; S191-H200 PolarHBondContact OG-ND1 3.45Å
192	T	94.1	Very high	93.5	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.012	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	148	171.6	54	0	0	0	0	109.7	L170 L177 S198 S199 I225	L170-T192 HydrophobicContact CB-CG2 4.28Å; L170-T192 HydrophobicContact CD2-CG2 3.66Å; L170-T192 HydrophobicContact CG-CG2 4.48Å; L177-T192 HydrophobicContact CD1-CG2 4.02Å; T192-S198 CarbonylContact O-C 3.59Å; T192-S198 VanDerWaalsContact O-CA 3.29Å; T192-S198 WeakPolarHBondContact O-CA 3.42Å; T192-S199 PolarHBondContact N-O 3.15Å; T192-S199 PolarHBondContact O-N 3.08Å; T192-I225 HydrophobicContact CG2-CD1 4.14Å
193	F	93	Very high	93.4	Very high	76 Å²	76	56.6 Å²	56.6	33%	0.333	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	89.5	-178.4	-50.1	-86.1	0	0	0	108	S174 Q178	S174-F193 WeakPolarHBondContact CA-O 3.36Å; S174-F193 VanDerWaalsContact CB-O 3.28Å; S174-F193 WeakPolarHBondContact CB-O 3.37Å; S174-F193 PolarHBondContact OG-N 2.61Å; S174-F193 PolarHBondContact OG-O 3.13Å; Q178-F193 HydrophobicContact CB-CE2 3.8Å; Q178-F193 HydrophobicContact CB-CZ 4.34Å
194	G	90.5	Very high	93.3	Very high	17 Å²	17	57.2 Å²	57.2	18%	0.175	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	-170.1	-178.7	0	0	0	0	0	112.2	D171 T173 A196 G197	D171-G194 VanDerWaalsContact OD2-CA 3.29Å; D171-G194 WeakPolarHBondContact OD2-CA 3.3Å; T173-G194 WeakPolarHBondContact OG1-CA 3.28Å; G194-A196 VanDerWaalsContact C-N 3.25Å; G194-A196 PolarHBondContact O-N 3.07Å; G194-G197 PolarHBondContact N-O 3.32Å; G194-G197 PolarHBondContact O-N 2.89Å
195	N	90.3	Very high	93.2	Very high	152 Å²	152	57 Å²	57	81%	0.813	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-27.4	-172.9	-67.5	-27.3	0	0	0	113.3	T173 G197	T173-N195 PolarHBondContact OG1-N 2.67Å; T173-N195 VanDerWaalsContact OG1-N 3.11Å; N195-G197 VanDerWaalsContact C-N 3.3Å
196	A	86.7	Confident	93	Very high	105 Å²	105	55 Å²	55	87%	0.868	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-2.6	-179.9	0	0	0	0	0	113.4	G194	G194-A196 VanDerWaalsContact C-N 3.25Å; G194-A196 PolarHBondContact O-N 3.07Å
197	G	90.8	Very high	92.9	Very high	41 Å²	41	55.1 Å²	55.1	42%	0.423	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	120.7	-164.7	-175.3	0	0	0	0	0	112.4	G194 N195	G194-G197 PolarHBondContact N-O 3.32Å; G194-G197 PolarHBondContact O-N 2.89Å; N195-G197 VanDerWaalsContact C-N 3.3Å
198	S	92.1	Very high	92.8	Very high	72 Å²	72	60.7 Å²	60.7	50%	0.503	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	138.5	176.2	62.9	0	0	0	0	111.7	T192 H200	T192-S198 CarbonylContact O-C 3.59Å; T192-S198 VanDerWaalsContact O-CA 3.29Å; T192-S198 WeakPolarHBondContact O-CA 3.42Å; S198-H200 PolarHBondContact OG-NE2 3.13Å; S198-H200 VanDerWaalsContact OG-NE2 3.1Å
199	S	91.6	Very high	92.6	Very high	49 Å²	49	63 Å²	63	34%	0.343	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	141.2	169.6	-176.5	0	0	0	0	109.2	S191 T192	S191-S199 VanDerWaalsContact CA-O 3.24Å; S191-S199 WeakPolarHBondContact CA-O 3.37Å; T192-S199 PolarHBondContact N-O 3.15Å; T192-S199 PolarHBondContact O-N 3.08Å
200	H	93.1	Very high	92.5	Very high	83 Å²	83	60.7 Å²	60.7	38%	0.384	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	128.5	-178.4	-56.4	-69.6	0	0	0	109.9	L190 S191 S198	L190-H200 WeakPolarHBondContact O-CA 3.18Å; S191-H200 VanDerWaalsContact CB-ND1 3.3Å; S191-H200 WeakPolarHBondContact CB-ND1 3.3Å; S191-H200 PolarHBondContact OG-ND1 3.45Å; S198-H200 PolarHBondContact OG-NE2 3.13Å; S198-H200 VanDerWaalsContact OG-NE2 3.1Å
201	L	92.9	Very high	92.5	Very high	38 Å²	38	64.8 Å²	64.8	20%	0.199	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	116.5	176.6	-65.1	170.3	0	0	0	108.9	A166 R189 L190 Y203	A166-L201 HydrophobicContact CB-CD1 3.47Å; A166-L201 VanDerWaalsContact CB-CD1 3.47Å; R189-L201 VanDerWaalsContact CA-O 3.29Å; R189-L201 WeakPolarHBondContact CA-O 3.37Å; L190-L201 HydrophobicContact CB-CB 4.38Å; L190-L201 PolarHBondContact N-O 2.7Å; L190-L201 PolarHBondContact O-N 3.11Å; L201-Y203 HydrophobicContact CB-CE2 4.47Å
202	D	94.1	Very high	92.6	Very high	75 Å²	75	65.7 Å²	65.7	40%	0.401	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	134.3	-174	-71.5	-16.1	0	0	0	111.4	P186 R189	P186-D202 HydrophobicContact CB-CB 4.33Å; R189-D202 WeakPolarHBondContact CB-OD1 3.38Å; R189-D202 WeakPolarHBondContact CG-OD1 3.35Å; R189-D202 IonicContact CZ-OD1 3.36Å; R189-D202 IonicContact CZ-OD2 3.66Å; R189-D202 IonicContact NE-OD1 2.64Å; R189-D202 PolarHBondContact NE-OD1 3.15Å; R189-D202 IonicContact NE-OD2 3.72Å; R189-D202 IonicContact NH2-OD1 3.22Å; R189-D202 PolarHBondContact NH2-OD1 2.89Å; R189-D202 IonicContact NH2-OD2 2.74Å; R189-D202 PolarHBondContact NH2-OD2 3.2Å
203	Y	93.8	Very high	92.7	Very high	16 Å²	16	67.7 Å²	67.7	6%	0.063	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	100.2	175.6	-66.7	-93.1	0	0	0	109.4	L158 G162 L163 A166 F188 L190 L201	L158-Y203 HydrophobicContact CD2-CD1 4.25Å; G162-Y203 PolarHBondContact O-OH 2.8Å; L163-Y203 HydrophobicContact CD1-CE2 4.49Å; A166-Y203 HydrophobicContact CB-CE2 4.49Å; A166-Y203 WeakPolarHBondContact CB-OH 3.34Å; F188-Y203 AromaticContact CD1-CD2 3.43Å; F188-Y203 HydrophobicContact CD1-CD2 3.43Å; F188-Y203 VanDerWaalsContact CD1-CD2 3.43Å; F188-Y203 HydrophobicContact CD1-CE2 4.21Å; F188-Y203 AromaticContact CD1-CG 3.75Å; F188-Y203 HydrophobicContact CD1-CG 3.75Å; F188-Y203 AromaticContact CE1-CD2 3.76Å; F188-Y203 HydrophobicContact CE1-CD2 3.76Å; F188-Y203 HydrophobicContact CE1-CE2 4.07Å; F188-Y203 HydrophobicContact CE1-CG 4.34Å; F188-Y203 HydrophobicContact CG-CD2 4.48Å; F188-Y203 PolarHBondContact O-N 2.88Å; L190-Y203 HydrophobicContact CD1-CE2 4.28Å; L190-Y203 HydrophobicContact CG-CE2 4.5Å; L201-Y203 HydrophobicContact CB-CE2 4.47Å
204	P	94	Very high	92.8	Very high	57 Å²	57	69.2 Å²	69.2	37%	0.37	40%	0.398	S	S	.	.			trans	-57.6	144.9	172.7	-23.5	33.9	0	0	0	111.6	D206 S207	P204-D206 WeakPolarHBondContact CB-OD1 3.47Å; P204-D206 PolarHBondContact O-N 2.83Å; P204-S207 WeakPolarHBondContact O-CB 3.41Å; P204-S207 PolarHBondContact O-N 2.87Å; P204-S207 VanDerWaalsContact O-N 3.07Å
205	K	92.3	Very high	93	Very high	105 Å²	105	68.9 Å²	68.9	46%	0.457	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-19.9	178.4	66.9	176.6	-179.2	179.9	0	113.8	Y187 F213	Y187-K205 HydrophobicContact CD1-CB 4.38Å; Y187-K205 HydrophobicContact CD1-CD 4.02Å; Y187-K205 HydrophobicContact CD1-CG 4.28Å; Y187-K205 HydrophobicContact CD2-CB 4.38Å; Y187-K205 HydrophobicContact CD2-CG 4.24Å; Y187-K205 HydrophobicContact CE1-CD 3.74Å; Y187-K205 HydrophobicContact CE1-CG 4.2Å; Y187-K205 HydrophobicContact CE2-CD 4.49Å; Y187-K205 HydrophobicContact CE2-CG 4.11Å; Y187-K205 HydrophobicContact CG-CB 4.16Å; Y187-K205 HydrophobicContact CG-CG 4.29Å; K205-F213 HydrophobicContact CB-CB 4.2Å; K205-F213 HydrophobicContact CB-CD1 3.93Å; K205-F213 HydrophobicContact CB-CD2 4.03Å; K205-F213 HydrophobicContact CB-CE1 4.33Å; K205-F213 HydrophobicContact CB-CE2 4.43Å; K205-F213 HydrophobicContact CB-CG 3.77Å; K205-F213 HydrophobicContact CD-CD1 4.5Å
206	D	92.3	Very high	92.9	Very high	128 Å²	128	68.4 Å²	68.4	68%	0.684	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	6	177.8	58.4	-38.8	0	0	0	113.2	P204	P204-D206 WeakPolarHBondContact CB-OD1 3.47Å; P204-D206 PolarHBondContact O-N 2.83Å
207	S	92.6	Very high	93.1	Very high	32 Å²	32	68.7 Å²	68.7	22%	0.224	37%	0.373	C	S	.	.	S	Bend	trans	-61.2	141.7	172.5	177.5	0	0	0	0	111.3	P204 L209 M210	P204-S207 WeakPolarHBondContact O-CB 3.41Å; P204-S207 PolarHBondContact O-N 2.87Å; P204-S207 VanDerWaalsContact O-N 3.07Å; S207-L209 PolarHBondContact O-N 3.27Å; S207-L209 VanDerWaalsContact O-N 3.08Å; S207-L209 PolarHBondContact OG-N 2.81Å; S207-M210 WeakPolarHBondContact O-CB 3.49Å; S207-M210 PolarHBondContact O-N 2.82Å
208	D	92.6	Very high	93.4	Very high	152 Å²	152	70.2 Å²	70.2	81%	0.813	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-21.6	174.3	-67.3	-33.6	0	0	0	112.9	Q159 M210	Q159-D208 PolarHBondContact NE2-O 2.86Å; D208-M210 VanDerWaalsContact C-N 3.32Å
209	L	92.5	Very high	93.5	Very high	49 Å²	49	67.8 Å²	67.8	26%	0.257	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-15.9	176.6	-60.4	167.3	0	0	0	112.7	L158 Q159 S207	L158-L209 CarbonylContact C-O 3.59Å; L158-L209 WeakPolarHBondContact CA-O 3.4Å; Q159-L209 HydrophobicContact CB-CD2 4.3Å; Q159-L209 PolarHBondContact N-O 2.92Å; S207-L209 PolarHBondContact O-N 3.27Å; S207-L209 VanDerWaalsContact O-N 3.08Å; S207-L209 PolarHBondContact OG-N 2.81Å
210	M	94.9	Very high	93.7	Very high	22 Å²	22	68.9 Å²	68.9	11%	0.108	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	110.9	-177.3	-170	68.9	69.9	0	0	110.8	I156 L158 S207 D208 F213	I156-M210 HydrophobicContact CB-SD 4.08Å; I156-M210 HydrophobicContact CG2-SD 4.37Å; L158-M210 HydrophobicContact CD2-CB 4.34Å; L158-M210 HydrophobicContact CD2-CE 3.57Å; L158-M210 HydrophobicContact CD2-SD 3.69Å; L158-M210 HydrophobicContact CG-CE 4.38Å; L158-M210 HydrophobicContact CG-SD 4.26Å; S207-M210 WeakPolarHBondContact O-CB 3.49Å; S207-M210 PolarHBondContact O-N 2.82Å; D208-M210 VanDerWaalsContact C-N 3.32Å; M210-F213 HydrophobicContact CE-CD2 3.87Å; M210-F213 HydrophobicContact CG-CB 4.08Å; M210-F213 HydrophobicContact SD-CB 4.22Å; M210-F213 HydrophobicContact SD-CD2 4.04Å
211	E	95.1	Very high	93.8	Very high	89 Å²	89	66.2 Å²	66.2	42%	0.416	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	-31.8	177	-66.6	-164	-167.9	0	0	113	I157 Q159 K240	I157-E211 HydrophobicContact CB-CB 4.33Å; I157-E211 HydrophobicContact CG2-CB 4.1Å; I157-E211 PolarHBondContact O-N 2.89Å; Q159-E211 HydrophobicContact CG-CG 4.29Å; E211-K240 VanDerWaalsContact OE1-CD 3.28Å; E211-K240 WeakPolarHBondContact OE1-CD 3.38Å; E211-K240 WeakPolarHBondContact OE1-CE 3.45Å; E211-K240 IonicContact OE1-NZ 2.69Å; E211-K240 PolarHBondContact OE1-NZ 2.87Å; E211-K240 WeakPolarHBondContact OE2-CD 3.3Å; E211-K240 WeakPolarHBondContact OE2-CE 3.39Å; E211-K240 IonicContact OE2-NZ 4Å; E211-K240 PolarHBondContact OE2-NZ 3.34Å
212	A	95.7	Very high	93.9	Very high	20 Å²	20	67.9 Å²	67.9	17%	0.165	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	133.7	178.4	0	0	0	0	0	110.3	I156 I157	I156-A212 CarbonylContact C-O 3.59Å; I156-A212 VanDerWaalsContact CA-O 3.26Å; I156-A212 WeakPolarHBondContact CA-O 3.34Å; I157-A212 HydrophobicContact CB-CB 3.88Å; I157-A212 HydrophobicContact CD1-CB 3.95Å; I157-A212 HydrophobicContact CG1-CB 3.95Å; I157-A212 PolarHBondContact N-O 2.87Å; I157-A212 PolarHBondContact O-N 2.83Å
213	F	96.2	Very high	93.9	Very high	43 Å²	43	64.3 Å²	64.3	19%	0.189	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	110.5	177.6	-171.6	-89.6	0	0	0	110.1	I156 S182 Y187 F188 K205 M210 C215	I156-F213 HydrophobicContact CG2-CD2 3.52Å; I156-F213 HydrophobicContact CG2-CE2 3.79Å; I156-F213 HydrophobicContact CG2-CG 4.37Å; S182-F213 VanDerWaalsContact O-CZ 3.26Å; S182-F213 WeakPolarHBondContact O-CZ 3.37Å; Y187-F213 HydrophobicContact CD1-CE1 4.38Å; Y187-F213 HydrophobicContact CD1-CZ 4.2Å; Y187-F213 HydrophobicContact CG-CZ 4.34Å; F188-F213 HydrophobicContact CB-CE2 4.5Å; K205-F213 HydrophobicContact CB-CB 4.2Å; K205-F213 HydrophobicContact CB-CD1 3.93Å; K205-F213 HydrophobicContact CB-CD2 4.03Å; K205-F213 HydrophobicContact CB-CE1 4.33Å; K205-F213 HydrophobicContact CB-CE2 4.43Å; K205-F213 HydrophobicContact CB-CG 3.77Å; K205-F213 HydrophobicContact CD-CD1 4.5Å; M210-F213 HydrophobicContact CE-CD2 3.87Å; M210-F213 HydrophobicContact CG-CB 4.08Å; M210-F213 HydrophobicContact SD-CB 4.22Å; M210-F213 HydrophobicContact SD-CD2 4.04Å; F213-C215 HydrophobicContact CD1-CB 4.49Å; F213-C215 HydrophobicContact CE1-CB 3.65Å; F213-C215 HydrophobicContact CE2-CB 4.44Å; F213-C215 HydrophobicContact CZ-CB 3.61Å; F213-C215 WeakPolarHBondContact CZ-SG 3.31Å
214	H	94.9	Very high	93.9	Very high	109 Å²	109	67.6 Å²	67.6	51%	0.505	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	80.4	-180	-57.8	87.6	0	0	0	108.6	N154 K155	N154-H214 CarbonylContact C-O 3.57Å; N154-H214 WeakPolarHBondContact CA-O 3.39Å; K155-H214 HydrophobicContact CB-CB 4.34Å; K155-H214 PolarHBondContact N-O 3.17Å; K155-H214 CarbonylContact O-C 3.52Å; K155-H214 WeakPolarHBondContact O-CA 3.26Å; K155-H214 WeakPolarHBondContact O-CB 3.29Å; K155-H214 PolarHBondContact O-N 2.95Å
215	C	93.7	Very high	93.7	Very high	9 Å²	9	65.3 Å²	65.3	6%	0.061	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	115.9	174.6	-59.4	0	0	0	0	109	N154 F213	N154-C215 HydrophobicContact CB-CB 4.35Å; N154-C215 WeakPolarHBondContact OD1-CA 3.4Å; N154-C215 WeakPolarHBondContact OD1-CB 3.37Å; F213-C215 HydrophobicContact CD1-CB 4.49Å; F213-C215 HydrophobicContact CE1-CB 3.65Å; F213-C215 HydrophobicContact CE2-CB 4.44Å; F213-C215 HydrophobicContact CZ-CB 3.61Å; F213-C215 WeakPolarHBondContact CZ-SG 3.31Å
216	N	88.6	Confident	93.6	Very high	142 Å²	142	64.1 Å²	64.1	76%	0.759	34%	0.337	S	S	*	.			trans	-103.4	-17.6	-176.9	-64.7	-30.9	0	0	0	112.5	N154	N154-N216 PolarHBondContact OD1-N 3.09Å
217	Q	92.1	Very high	93.6	Very high	111 Å²	111	59.3 Å²	59.3	52%	0.519	31%	0.311	S	S	.	.	S	Bend	trans	-143.2	140.4	-176.7	-178.6	178.9	3.9	0	0	109.6	I153 N154 Q219	I153-Q217 HydrophobicContact CG2-CB 3.87Å; N154-Q217 PolarHBondContact ND2-O 2.81Å; N154-Q217 PolarHBondContact OD1-O 2.73Å; N154-Q217 VanDerWaalsContact OD1-O 3.11Å; Q217-Q219 PolarHBondContact O-N 2.68Å
218	T	95.4	Very high	93.5	Very high	74 Å²	74	58 Å²	58	45%	0.454	30%	0.302	S	S	.	.			trans	-66.9	121.4	172.8	-54.2	0	0	0	0	110.5	M181 S182	M181-T218 CarbonylContact O-C 3.59Å; M181-T218 WeakPolarHBondContact O-CA 3.26Å; S182-T218 PolarHBondContact OG-OG1 3.47Å; S182-T218 VanDerWaalsContact OG-OG1 3.12Å
219	Q	94.6	Very high	93.4	Very high	20 Å²	20	55.9 Å²	55.9	9%	0.093	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	139.9	168.6	-70	-171	-61.5	0	0	110	I153 N154 T180 M181 Q217 T245 D246	I153-Q219 HydrophobicContact CG2-CG 4.24Å; N154-Q219 PolarHBondContact ND2-OE1 3.17Å; T180-Q219 WeakPolarHBondContact CA-O 3.12Å; M181-Q219 PolarHBondContact N-O 2.77Å; M181-Q219 PolarHBondContact O-N 2.89Å; Q217-Q219 PolarHBondContact O-N 2.68Å; Q219-T245 PolarHBondContact OE1-OG1 2.95Å; Q219-D246 PolarHBondContact NE2-O 3.13Å
220	V	95.8	Very high	93.4	Very high	73 Å²	73	54.7 Å²	54.7	44%	0.442	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	110.4	173.3	-176.2	0	0	0	0	107	Q178 I179 T180	Q178-V220 HydrophobicContact CG-CG1 3.49Å; Q178-V220 VanDerWaalsContact CG-CG1 3.49Å; I179-V220 WeakPolarHBondContact O-CA 3.43Å; T180-V220 HydrophobicContact CG2-CG2 3.98Å
221	N	95.5	Very high	93.4	Very high	26 Å²	26	53.6 Å²	53.6	14%	0.139	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	144.3	-178.7	-60.3	-48.8	0	0	0	109.5	Q178 I179 Y223	Q178-N221 CarbonylContact C-O 3.59Å; Q178-N221 WeakPolarHBondContact CA-O 3.49Å; I179-N221 PolarHBondContact N-O 2.82Å; I179-N221 PolarHBondContact O-N 2.68Å; N221-Y223 HydrophobicContact CB-CE2 3.68Å; N221-Y223 WeakPolarHBondContact CB-OH 2.92Å
222	R	95.3	Very high	93.3	Very high	73 Å²	73	51.3 Å²	51.3	28%	0.275	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	140.9	178.9	-78.1	-179.5	169	-175.7	-1.6	109.2	V176 Q178 P273 D274	V176-R222 HydrophobicContact CG1-CB 3.51Å; V176-R222 HydrophobicContact CG1-CG 3.61Å; Q178-R222 HydrophobicContact CB-CG 4Å; Q178-R222 HydrophobicContact CG-CG 4.1Å; R222-P273 CarbonylContact O-C 3.6Å; R222-P273 VanDerWaalsContact O-CA 3.29Å; R222-P273 WeakPolarHBondContact O-CA 3.4Å; R222-D274 HydrophobicContact CB-CB 4.47Å; R222-D274 PolarHBondContact O-N 2.94Å
223	Y	94.1	Very high	93.2	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	142.8	179.8	-55	-81.4	0	0	0	109.6	V176 L177 I179 N221 I225 L228 G249 L251 C271 C272 P273	V176-Y223 CarbonylContact C-O 3.51Å; V176-Y223 WeakPolarHBondContact CA-O 3.28Å; L177-Y223 PolarHBondContact N-O 2.97Å; L177-Y223 PolarHBondContact O-N 2.92Å; I179-Y223 HydrophobicContact CB-CE2 4.05Å; I179-Y223 HydrophobicContact CD1-CD2 3.91Å; I179-Y223 HydrophobicContact CD1-CE2 3.76Å; I179-Y223 HydrophobicContact CG1-CD2 4Å; I179-Y223 HydrophobicContact CG1-CE2 3.93Å; N221-Y223 HydrophobicContact CB-CE2 3.68Å; N221-Y223 WeakPolarHBondContact CB-OH 2.92Å; Y223-I225 PolarHBondContact O-N 2.85Å; Y223-I225 VanDerWaalsContact O-N 3.08Å; Y223-L228 VanDerWaalsContact CB-CD1 3.46Å; Y223-L228 HydrophobicContact CD2-CD1 4.25Å; Y223-L228 HydrophobicContact CG-CD1 3.9Å; Y223-G249 VanDerWaalsContact CE1-O 3.27Å; Y223-G249 WeakPolarHBondContact CE1-O 3.46Å; Y223-G249 VanDerWaalsContact CZ-O 3.32Å; Y223-G249 PolarHBondContact OH-O 3.08Å; Y223-L251 HydrophobicContact CD1-CB 4.2Å; Y223-L251 HydrophobicContact CD1-CD2 4.43Å; Y223-L251 HydrophobicContact CD2-CD2 4.16Å; Y223-L251 HydrophobicContact CE1-CB 3.51Å; Y223-L251 HydrophobicContact CE1-CD2 4.35Å; Y223-L251 HydrophobicContact CE2-CB 4.27Å; Y223-L251 HydrophobicContact CE2-CD2 4.04Å; Y223-L251 HydrophobicContact CG-CD2 4.36Å; Y223-C271 HydrophobicContact CD1-CB 4.27Å; Y223-C272 WeakPolarHBondContact CD1-O 3.48Å; Y223-P273 HydrophobicContact CE1-CB 4.2Å
224	K	92.9	Very high	93.1	Very high	86 Å²	86	52.7 Å²	52.7	37%	0.374	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	114.4	173.3	-67.5	-173.5	179.5	-176.5	0	109.8	E175 S226 L227 L228 D274	E175-K224 WeakPolarHBondContact O-CA 3.43Å; K224-S226 PolarHBondContact O-N 2.73Å; K224-L227 HydrophobicContact CB-CB 4.31Å; K224-L227 HydrophobicContact CB-CD1 4Å; K224-L227 HydrophobicContact CB-CG 3.92Å; K224-L227 HydrophobicContact CD-CD1 4.28Å; K224-L227 PolarHBondContact O-N 3.26Å; K224-L228 PolarHBondContact O-N 3.37Å; K224-D274 VanDerWaalsContact CE-CG 3.48Å; K224-D274 WeakPolarHBondContact CE-OD1 3.38Å; K224-D274 WeakPolarHBondContact CE-OD2 3.29Å; K224-D274 HydrophobicContact CG-CB 4.42Å; K224-D274 WeakPolarHBondContact CG-OD2 3.44Å; K224-D274 IonicContact NZ-OD1 3.76Å
225	I	91.2	Very high	93.1	Very high	9 Å²	9	47.6 Å²	47.6	5%	0.046	25%	0.246	C	C	.	.	H	α-helix	trans	-61.4	-33.2	-175.6	-163.3	172.1	0	0	0	111.1	L170 S174 E175 L177 T192 Y223 L227 L228 K229	L170-I225 HydrophobicContact CB-CD1 4.09Å; L170-I225 HydrophobicContact CD1-CD1 4.09Å; S174-I225 WeakPolarHBondContact O-CG2 3.11Å; E175-I225 PolarHBondContact O-N 3.36Å; L177-I225 HydrophobicContact CB-CB 4.33Å; L177-I225 HydrophobicContact CB-CG1 4.27Å; T192-I225 HydrophobicContact CG2-CD1 4.14Å; Y223-I225 PolarHBondContact O-N 2.85Å; Y223-I225 VanDerWaalsContact O-N 3.08Å; I225-L227 PolarHBondContact O-N 3.28Å; I225-L228 PolarHBondContact O-N 2.65Å; I225-K229 WeakPolarHBondContact O-CB 3.38Å; I225-K229 PolarHBondContact O-N 3.39Å
226	S	90.4	Very high	93.1	Very high	80 Å²	80	51.7 Å²	51.7	56%	0.559	27%	0.271	S	S	*	.	H	α-helix	trans	-60.9	-30.4	176.8	60	0	0	0	0	113.1	K224	K224-S226 PolarHBondContact O-N 2.73Å
227	L	91.4	Very high	93.4	Very high	27 Å²	27	48 Å²	48	14%	0.141	25%	0.25	C	S	.	.	H	α-helix	trans	-85	-30.1	177.9	-60.7	-176.3	0	0	0	112.6	C58 V59 K224 I225 P230	C58-L227 HydrophobicContact CB-CD1 3.69Å; V59-L227 HydrophobicContact CB-CB 4.48Å; V59-L227 HydrophobicContact CG2-CB 3.59Å; V59-L227 HydrophobicContact CG2-CD1 4.36Å; K224-L227 HydrophobicContact CB-CB 4.31Å; K224-L227 HydrophobicContact CB-CD1 4Å; K224-L227 HydrophobicContact CB-CG 3.92Å; K224-L227 HydrophobicContact CD-CD1 4.28Å; K224-L227 PolarHBondContact O-N 3.26Å; I225-L227 PolarHBondContact O-N 3.28Å; L227-P230 WeakPolarHBondContact O-CD 3.37Å
228	L	90.6	Very high	93.5	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.016	23%	0.227	C	C	.	.	H	α-helix	trans	-84	-25.8	176.6	-77	-179.1	0	0	0	114.1	L177 Y223 K224 I225 P230 S231 L251 L253 C271	L177-L228 HydrophobicContact CD2-CD1 4.08Å; Y223-L228 VanDerWaalsContact CB-CD1 3.46Å; Y223-L228 HydrophobicContact CD2-CD1 4.25Å; Y223-L228 HydrophobicContact CG-CD1 3.9Å; K224-L228 PolarHBondContact O-N 3.37Å; I225-L228 PolarHBondContact O-N 2.65Å; L228-P230 VanDerWaalsContact C-N 3.28Å; L228-P230 VanDerWaalsContact O-N 3.14Å; L228-S231 VanDerWaalsContact O-CB 3.3Å; L228-S231 WeakPolarHBondContact O-CB 3.35Å; L228-S231 PolarHBondContact O-N 2.93Å; L228-S231 PolarHBondContact O-OG 3.08Å; L228-L251 HydrophobicContact CD1-CD2 3.85Å; L228-L251 HydrophobicContact CD2-CD2 3.98Å; L228-L253 HydrophobicContact CD2-CD1 4.16Å; L228-C271 HydrophobicContact CD2-CB 3.56Å; L228-C271 HydrophobicContact CG-CB 4.34Å
229	K	90.5	Very high	93.5	Very high	108 Å²	108	41.7 Å²	41.7	47%	0.47	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-47.5	-42.9	-178.7	-171.3	-177.5	-166.4	175.2	0	113.4	M172 I225 S231 T232	M172-K229 HydrophobicContact CE-CD 3.73Å; I225-K229 WeakPolarHBondContact O-CB 3.38Å; I225-K229 PolarHBondContact O-N 3.39Å; K229-S231 PolarHBondContact O-N 3.39Å; K229-S231 VanDerWaalsContact O-N 3.15Å; K229-T232 WeakPolarHBondContact O-CB 3.46Å; K229-T232 WeakPolarHBondContact O-CG2 3.39Å; K229-T232 PolarHBondContact O-N 3.05Å; K229-T232 VanDerWaalsContact O-N 3.11Å; K229-T232 PolarHBondContact O-OG1 2.84Å
230	P	93	Very high	93.6	Very high	24 Å²	24	44.1 Å²	44.1	16%	0.156	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-53.9	-31.3	175.7	-31.4	39.7	0	0	0	115.8	F36 L227 L228 T232 K233 Y269	F36-P230 HydrophobicContact CB-CB 3.65Å; F36-P230 HydrophobicContact CB-CG 3.75Å; F36-P230 HydrophobicContact CD1-CB 3.89Å; F36-P230 HydrophobicContact CD2-CG 4.32Å; F36-P230 HydrophobicContact CG-CB 3.77Å; F36-P230 HydrophobicContact CG-CG 3.95Å; L227-P230 WeakPolarHBondContact O-CD 3.37Å; L228-P230 VanDerWaalsContact C-N 3.28Å; L228-P230 VanDerWaalsContact O-N 3.14Å; P230-T232 PolarHBondContact O-N 3Å; P230-T232 VanDerWaalsContact O-N 3.13Å; P230-K233 WeakPolarHBondContact O-CB 3.41Å; P230-K233 WeakPolarHBondContact O-CG 3.26Å; P230-K233 PolarHBondContact O-N 3.03Å; P230-Y269 HydrophobicContact CB-CE1 4.16Å; P230-Y269 PolarHBondContact O-OH 2.85Å
231	S	93.6	Very high	93.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-64.4	-17.4	-179.2	74.6	0	0	0	0	113.4	L228 K229 K233 A234 L235 Y255	L228-S231 VanDerWaalsContact O-CB 3.3Å; L228-S231 WeakPolarHBondContact O-CB 3.35Å; L228-S231 PolarHBondContact O-N 2.93Å; L228-S231 PolarHBondContact O-OG 3.08Å; K229-S231 PolarHBondContact O-N 3.39Å; K229-S231 VanDerWaalsContact O-N 3.15Å; S231-K233 PolarHBondContact O-N 3.26Å; S231-A234 WeakPolarHBondContact O-CB 3.42Å; S231-A234 PolarHBondContact O-N 3.22Å; S231-L235 PolarHBondContact O-N 3.32Å; S231-Y255 WeakPolarHBondContact CB-OH 3.25Å; S231-Y255 PolarHBondContact OG-OH 2.92Å
232	T	92.8	Very high	93.6	Very high	40 Å²	40	39.8 Å²	39.8	25%	0.245	21%	0.206	C	C	.	.	H	α-helix	trans	-58.9	-28.1	170.9	56.2	0	0	0	0	112.9	F167 K229 P230 A234 L235 V236	F167-T232 HydrophobicContact CB-CG2 3.9Å; F167-T232 HydrophobicContact CD1-CG2 3.35Å; F167-T232 HydrophobicContact CE1-CG2 4.18Å; F167-T232 HydrophobicContact CG-CG2 3.94Å; K229-T232 WeakPolarHBondContact O-CB 3.46Å; K229-T232 WeakPolarHBondContact O-CG2 3.39Å; K229-T232 PolarHBondContact O-N 3.05Å; K229-T232 VanDerWaalsContact O-N 3.11Å; K229-T232 PolarHBondContact O-OG1 2.84Å; P230-T232 PolarHBondContact O-N 3Å; P230-T232 VanDerWaalsContact O-N 3.13Å; T232-A234 VanDerWaalsContact C-N 3.34Å; T232-A234 PolarHBondContact O-N 3.33Å; T232-L235 WeakPolarHBondContact O-CB 3.18Å; T232-L235 PolarHBondContact O-N 2.82Å; T232-V236 VanDerWaalsContact O-CG2 3.31Å; T232-V236 WeakPolarHBondContact O-CG2 3.39Å; T232-V236 PolarHBondContact O-N 3.43Å
233	K	93.9	Very high	93.7	Very high	92 Å²	92	36.5 Å²	36.5	40%	0.4	19%	0.194	S	C	.	.	H	α-helix	trans	-61.3	-43.6	174.2	-63.4	-177.9	-179.7	-170.7	0	111.3	H35 P230 S231 L237	H35-K233 PolarHBondContact O-NZ 2.81Å; P230-K233 WeakPolarHBondContact O-CB 3.41Å; P230-K233 WeakPolarHBondContact O-CG 3.26Å; P230-K233 PolarHBondContact O-N 3.03Å; S231-K233 PolarHBondContact O-N 3.26Å; K233-L237 WeakPolarHBondContact O-CG 3.41Å; K233-L237 PolarHBondContact O-N 2.62Å
234	A	95.6	Very high	93.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-71.2	-35.7	174.2	0	0	0	0	0	112	A33 S231 T232 V236 L237 S238 Y255 V267 Y269	A33-A234 HydrophobicContact CB-CB 4.05Å; S231-A234 WeakPolarHBondContact O-CB 3.42Å; S231-A234 PolarHBondContact O-N 3.22Å; T232-A234 VanDerWaalsContact C-N 3.34Å; T232-A234 PolarHBondContact O-N 3.33Å; A234-V236 PolarHBondContact O-N 2.92Å; A234-L237 PolarHBondContact O-N 2.94Å; A234-S238 VanDerWaalsContact O-CB 3.26Å; A234-S238 WeakPolarHBondContact O-CB 3.33Å; A234-S238 PolarHBondContact O-N 3.06Å; A234-S238 PolarHBondContact O-OG 3.18Å; A234-Y255 HydrophobicContact CB-CD1 4.3Å; A234-Y255 HydrophobicContact CB-CD2 3.44Å; A234-Y255 VanDerWaalsContact CB-CD2 3.44Å; A234-Y255 HydrophobicContact CB-CE2 3.91Å; A234-Y255 HydrophobicContact CB-CG 3.65Å; A234-V267 HydrophobicContact CB-CB 4.23Å; A234-V267 HydrophobicContact CB-CG1 3.75Å; A234-Y269 HydrophobicContact CB-CE2 4.01Å
235	L	95.1	Very high	93.7	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.01	18%	0.182	C	C	.	.	H	α-helix	trans	-61.1	-42.2	175.2	-177.3	57.2	0	0	0	112.5	L163 R164 F167 S231 T232 L237 S238 Y255	L163-L235 HydrophobicContact CB-CD1 4.03Å; L163-L235 HydrophobicContact CB-CD2 4.21Å; L163-L235 HydrophobicContact CD2-CD1 4.06Å; L163-L235 HydrophobicContact CD2-CD2 4.21Å; L163-L235 HydrophobicContact CG-CD1 4.33Å; L163-L235 HydrophobicContact CG-CD2 3.99Å; R164-L235 HydrophobicContact CG-CD1 4.36Å; R164-L235 HydrophobicContact CG-CD2 4.25Å; R164-L235 HydrophobicContact CG-CG 3.78Å; R164-L235 PolarHBondContact NH1-O 2.86Å; F167-L235 HydrophobicContact CB-CD2 4.06Å; F167-L235 HydrophobicContact CD2-CD2 3.9Å; F167-L235 HydrophobicContact CG-CD2 3.99Å; S231-L235 PolarHBondContact O-N 3.32Å; T232-L235 WeakPolarHBondContact O-CB 3.18Å; T232-L235 PolarHBondContact O-N 2.82Å; L235-L237 VanDerWaalsContact C-N 3.28Å; L235-L237 PolarHBondContact O-N 3.15Å; L235-S238 WeakPolarHBondContact CA-OG 3.27Å; L235-S238 PolarHBondContact O-N 3.07Å; L235-S238 PolarHBondContact O-OG 2.83Å; L235-S238 VanDerWaalsContact O-OG 3.05Å; L235-Y255 HydrophobicContact CB-CD1 4.28Å; L235-Y255 HydrophobicContact CB-CE1 3.69Å; L235-Y255 HydrophobicContact CD1-CD1 4.37Å; L235-Y255 HydrophobicContact CD1-CE1 3.93Å; L235-Y255 HydrophobicContact CG-CE1 4.36Å
236	V	93.6	Very high	93.7	Very high	96 Å²	96	33.6 Å²	33.6	58%	0.582	18%	0.181	S	C	*	.	H	α-helix	trans	-61	-38.7	177.3	169.4	0	0	0	0	111.7	T232 A234	T232-V236 VanDerWaalsContact O-CG2 3.31Å; T232-V236 WeakPolarHBondContact O-CG2 3.39Å; T232-V236 PolarHBondContact O-N 3.43Å; A234-V236 PolarHBondContact O-N 2.92Å
237	L	93.5	Very high	93.6	Very high	63 Å²	63	34.5 Å²	34.5	33%	0.33	18%	0.179	S	C	.	.	H	α-helix	trans	-85	-14.6	-177.3	-63.6	171.4	0	0	0	113.9	T29 A33 K233 A234 L235 I257	T29-L237 HydrophobicContact CG2-CD1 3.8Å; T29-L237 HydrophobicContact CG2-CD2 3.81Å; T29-L237 HydrophobicContact CG2-CG 4.3Å; T29-L237 WeakPolarHBondContact O-CD1 3.45Å; A33-L237 HydrophobicContact CB-CD1 3.8Å; K233-L237 WeakPolarHBondContact O-CG 3.41Å; K233-L237 PolarHBondContact O-N 2.62Å; A234-L237 PolarHBondContact O-N 2.94Å; L235-L237 VanDerWaalsContact C-N 3.28Å; L235-L237 PolarHBondContact O-N 3.15Å; L237-I257 HydrophobicContact CB-CD1 3.93Å; L237-I257 HydrophobicContact CB-CG1 4.17Å; L237-I257 HydrophobicContact CB-CG2 4.36Å; L237-I257 HydrophobicContact CD1-CD1 4.49Å
238	S	95.3	Very high	93.4	Very high	5 Å²	5	38.9 Å²	38.9	4%	0.035	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	156	-173.9	59.9	0	0	0	0	113.2	S160 R164 A234 L235 M256	S160-S238 WeakPolarHBondContact CB-O 3.18Å; S160-S238 PolarHBondContact OG-O 2.93Å; S160-S238 PolarHBondContact OG-OG 2.71Å; R164-S238 PolarHBondContact NH1-O 3.27Å; A234-S238 VanDerWaalsContact O-CB 3.26Å; A234-S238 WeakPolarHBondContact O-CB 3.33Å; A234-S238 PolarHBondContact O-N 3.06Å; A234-S238 PolarHBondContact O-OG 3.18Å; L235-S238 WeakPolarHBondContact CA-OG 3.27Å; L235-S238 PolarHBondContact O-N 3.07Å; L235-S238 PolarHBondContact O-OG 2.83Å; L235-S238 VanDerWaalsContact O-OG 3.05Å; S238-M256 CarbonylContact C-O 3.59Å; S238-M256 WeakPolarHBondContact CA-O 3.33Å; S238-M256 WeakPolarHBondContact CB-O 3.44Å
239	C	95	Very high	93.4	Very high	49 Å²	49	38.8 Å²	38.8	33%	0.331	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	-29.2	169.4	58.4	0	0	0	0	112.3	S160 M256	S160-C239 PolarHBondContact N-O 2.82Å; S160-C239 VanDerWaalsContact OG-C 3.23Å; C239-M256 PolarHBondContact N-O 3.11Å; C239-M256 PolarHBondContact SG-O 3.3Å; C239-M256 VanDerWaalsContact SG-O 3.39Å
240	K	96.4	Very high	93.5	Very high	71 Å²	71	35.3 Å²	35.3	31%	0.309	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	152.5	178.4	-55.3	-177.3	-172.2	-158.9	0	111.1	L158 S160 E211 M256	L158-K240 WeakPolarHBondContact O-CA 3.49Å; S160-K240 WeakPolarHBondContact OG-CA 3.35Å; S160-K240 PolarHBondContact OG-N 3.33Å; S160-K240 VanDerWaalsContact OG-N 3.1Å; E211-K240 VanDerWaalsContact OE1-CD 3.28Å; E211-K240 WeakPolarHBondContact OE1-CD 3.38Å; E211-K240 WeakPolarHBondContact OE1-CE 3.45Å; E211-K240 IonicContact OE1-NZ 2.69Å; E211-K240 PolarHBondContact OE1-NZ 2.87Å; E211-K240 WeakPolarHBondContact OE2-CD 3.3Å; E211-K240 WeakPolarHBondContact OE2-CE 3.39Å; E211-K240 IonicContact OE2-NZ 4Å; E211-K240 PolarHBondContact OE2-NZ 3.34Å; K240-M256 HydrophobicContact CB-CB 4.16Å; K240-M256 HydrophobicContact CB-SD 4.44Å; K240-M256 HydrophobicContact CD-SD 4.06Å; K240-M256 HydrophobicContact CG-SD 4.41Å; K240-M256 PolarHBondContact O-N 2.81Å
241	V	96.5	Very high	93.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	126.4	173.5	59.3	0	0	0	0	110	I157 L158 L163 I243 Q254 Y255	I157-V241 WeakPolarHBondContact CA-O 3.48Å; L158-V241 HydrophobicContact CB-CG1 3.95Å; L158-V241 PolarHBondContact N-O 3.25Å; L158-V241 PolarHBondContact O-N 3.4Å; L163-V241 HydrophobicContact CD2-CG1 3.64Å; L163-V241 HydrophobicContact CD2-CG2 4.43Å; V241-I243 HydrophobicContact CG2-CG1 3.94Å; V241-Q254 CarbonylContact C-O 3.49Å; V241-Q254 WeakPolarHBondContact CA-O 3.31Å; V241-Y255 HydrophobicContact CB-CD1 3.92Å; V241-Y255 HydrophobicContact CB-CE1 4.03Å; V241-Y255 HydrophobicContact CG2-CD1 3.68Å; V241-Y255 HydrophobicContact CG2-CE1 3.47Å; V241-Y255 VanDerWaalsContact CG2-CE1 3.47Å; V241-Y255 HydrophobicContact CG2-CG 4.47Å
242	S	96	Very high	93.5	Very high	8 Å²	8	34.2 Å²	34.2	6%	0.056	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	121.9	166.6	177.7	0	0	0	0	108.5	I156 R244 L253 Q254	I156-S242 CarbonylContact O-C 3.59Å; I156-S242 WeakPolarHBondContact O-CA 3.44Å; S242-R244 PolarHBondContact OG-NH1 2.83Å; S242-R244 VanDerWaalsContact OG-NH1 3.14Å; S242-L253 WeakPolarHBondContact O-CA 3.39Å; S242-Q254 PolarHBondContact N-O 3.23Å; S242-Q254 PolarHBondContact O-N 3.22Å
243	I	95.6	Very high	93.7	Very high	3 Å²	3	32.5 Å²	32.5	2%	0.015	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	125.8	176.1	-51.5	-174.2	0	0	0	107.6	K155 I156 L158 L163 F188 V241 L251 L253	K155-I243 WeakPolarHBondContact CA-O 3.05Å; I156-I243 HydrophobicContact CD1-CB 4.07Å; I156-I243 HydrophobicContact CD1-CD1 4.11Å; I156-I243 HydrophobicContact CD1-CG1 4.4Å; I156-I243 HydrophobicContact CG1-CB 3.63Å; I156-I243 HydrophobicContact CG1-CD1 4.45Å; I156-I243 HydrophobicContact CG1-CG1 4.21Å; I156-I243 HydrophobicContact CG1-CG2 4.43Å; I156-I243 PolarHBondContact N-O 3.22Å; I156-I243 PolarHBondContact O-N 3.33Å; L158-I243 HydrophobicContact CD1-CD1 4.41Å; L163-I243 HydrophobicContact CD2-CD1 3.96Å; F188-I243 HydrophobicContact CE1-CD1 4.28Å; F188-I243 HydrophobicContact CE2-CD1 4.41Å; F188-I243 HydrophobicContact CZ-CD1 3.68Å; V241-I243 HydrophobicContact CG2-CG1 3.94Å; I243-L251 HydrophobicContact CG2-CD1 3.76Å; I243-L253 HydrophobicContact CB-CD2 4.03Å; I243-L253 HydrophobicContact CD1-CD2 4.1Å; I243-L253 HydrophobicContact CG1-CD2 3.67Å; I243-L253 HydrophobicContact CG2-CD2 3.72Å
244	R	94.7	Very high	93.7	Very high	30 Å²	30	30.4 Å²	30.4	11%	0.113	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	142.5	-178.5	-61	-178.8	-64.6	-103	9.1	110.7	F147 V152 N154 K155 S242 S252	F147-R244 HydrophobicContact CE1-CB 3.97Å; F147-R244 HydrophobicContact CZ-CB 3.73Å; V152-R244 HydrophobicContact CG1-CB 4.08Å; V152-R244 HydrophobicContact CG1-CG 4.23Å; N154-R244 WeakPolarHBondContact O-CA 3.34Å; K155-R244 HydrophobicContact CB-CG 4.14Å; K155-R244 HydrophobicContact CD-CG 4.42Å; K155-R244 HydrophobicContact CG-CG 3.95Å; S242-R244 PolarHBondContact OG-NH1 2.83Å; S242-R244 VanDerWaalsContact OG-NH1 3.14Å; R244-S252 PolarHBondContact N-O 2.75Å; R244-S252 PolarHBondContact NH2-OG 2.93Å; R244-S252 PolarHBondContact O-N 2.88Å
245	T	93.5	Very high	93.8	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.006	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	141.3	170.4	56.2	0	0	0	0	110.9	I153 N154 M181 Q219 F250 L251	I153-T245 PolarHBondContact N-O 2.88Å; N154-T245 PolarHBondContact O-N 2.92Å; N154-T245 VanDerWaalsContact O-N 3.08Å; M181-T245 HydrophobicContact SD-CG2 3.88Å; Q219-T245 PolarHBondContact OE1-OG1 2.95Å; T245-F250 VanDerWaalsContact CA-O 3.3Å; T245-F250 WeakPolarHBondContact CA-O 3.33Å; T245-L251 HydrophobicContact CG2-CD1 3.98Å
246	D	90.1	Very high	93.8	Very high	4 Å²	4	32.2 Å²	32.2	2%	0.021	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-178.3	171	80.8	-5.1	0	0	0	111.8	F147 N151 Q219 R248 G249 F250	F147-D246 HydrophobicContact CE2-CB 4Å; N151-D246 WeakPolarHBondContact O-CA 3.29Å; Q219-D246 PolarHBondContact NE2-O 3.13Å; D246-R248 PolarHBondContact O-N 3.13Å; D246-R248 WeakPolarHBondContact OD1-CA 3.42Å; D246-R248 WeakPolarHBondContact OD1-CB 3.11Å; D246-R248 PolarHBondContact OD1-N 2.74Å; D246-R248 IonicContact OD2-CZ 3.34Å; D246-R248 IonicContact OD2-NE 2.95Å; D246-R248 PolarHBondContact OD2-NE 2.64Å; D246-R248 IonicContact OD2-NH2 2.89Å; D246-R248 PolarHBondContact OD2-NH2 2.92Å; D246-G249 PolarHBondContact O-N 2.94Å; D246-G249 PolarHBondContact OD1-N 2.86Å; D246-F250 PolarHBondContact N-O 3.36Å; D246-F250 PolarHBondContact OD1-N 3.19Å
247	N	88.4	Confident	93.8	Very high	99 Å²	99	27.9 Å²	27.9	53%	0.529	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-19.3	177.7	66	-28.6	0	0	0	115.2	I153	I153-N247 VanDerWaalsContact CD1-CA 3.42Å; I153-N247 HydrophobicContact CD1-CB 3.63Å; I153-N247 HydrophobicContact CG1-CB 4.19Å
248	R	88.2	Confident	93.7	Very high	119 Å²	119	32.1 Å²	32.1	45%	0.449	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-7.6	177.5	-61.2	171.6	-63.5	177.2	3.5	112	F145 D246 F250	F145-R248 PolarHBondContact O-NH2 3.22Å; D246-R248 PolarHBondContact O-N 3.13Å; D246-R248 WeakPolarHBondContact OD1-CA 3.42Å; D246-R248 WeakPolarHBondContact OD1-CB 3.11Å; D246-R248 PolarHBondContact OD1-N 2.74Å; D246-R248 IonicContact OD2-CZ 3.34Å; D246-R248 IonicContact OD2-NE 2.95Å; D246-R248 PolarHBondContact OD2-NE 2.64Å; D246-R248 IonicContact OD2-NH2 2.89Å; D246-R248 PolarHBondContact OD2-NH2 2.92Å; R248-F250 HydrophobicContact CB-CD2 3.88Å; R248-F250 HydrophobicContact CB-CE2 4.24Å
249	G	90.7	Very high	93.2	Very high	0 Å²	0	33 Å²	33	0%	0	15%	0.151	C	C	.	.			trans	86.8	12.2	-175.8	0	0	0	0	0	114.1	Y223 D246 L251	Y223-G249 VanDerWaalsContact CE1-O 3.27Å; Y223-G249 WeakPolarHBondContact CE1-O 3.46Å; Y223-G249 VanDerWaalsContact CZ-O 3.32Å; Y223-G249 PolarHBondContact OH-O 3.08Å; D246-G249 PolarHBondContact O-N 2.94Å; D246-G249 PolarHBondContact OD1-N 2.86Å; G249-L251 PolarHBondContact O-N 3.22Å
250	F	91.8	Very high	92.4	Very high	35 Å²	35	37.2 Å²	37.2	15%	0.154	17%	0.165	C	C	.	.			trans	-62.8	134.6	169.7	-81.9	-89.9	0	0	0	110.3	F145 F147 T245 D246 R248 C272	F145-F250 AromaticContact CD1-CD1 3.64Å; F145-F250 HydrophobicContact CD1-CD1 3.64Å; F145-F250 AromaticContact CD1-CE1 3.51Å; F145-F250 HydrophobicContact CD1-CE1 3.51Å; F145-F250 HydrophobicContact CE1-CD1 4.11Å; F145-F250 AromaticContact CE1-CE1 3.81Å; F145-F250 HydrophobicContact CE1-CE1 3.81Å; F147-F250 HydrophobicContact CD2-CB 4.26Å; F147-F250 HydrophobicContact CE2-CB 4.29Å; T245-F250 VanDerWaalsContact CA-O 3.3Å; T245-F250 WeakPolarHBondContact CA-O 3.33Å; D246-F250 PolarHBondContact N-O 3.36Å; D246-F250 PolarHBondContact OD1-N 3.19Å; R248-F250 HydrophobicContact CB-CD2 3.88Å; R248-F250 HydrophobicContact CB-CE2 4.24Å; F250-C272 HydrophobicContact CD1-CB 4.49Å; F250-C272 HydrophobicContact CE1-CB 4.03Å; F250-C272 WeakPolarHBondContact CE1-SG 3.36Å
251	L	93.5	Very high	91.7	Very high	1 Å²	1	38 Å²	38	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	133.3	177.3	-173.3	63.4	0	0	0	110.4	I179 Y223 L228 I243 T245 G249 L253 Y270 C271	I179-L251 HydrophobicContact CD1-CD1 3.96Å; I179-L251 HydrophobicContact CD1-CD2 3.65Å; I179-L251 HydrophobicContact CD1-CG 4.48Å; Y223-L251 HydrophobicContact CD1-CB 4.2Å; Y223-L251 HydrophobicContact CD1-CD2 4.43Å; Y223-L251 HydrophobicContact CD2-CD2 4.16Å; Y223-L251 HydrophobicContact CE1-CB 3.51Å; Y223-L251 HydrophobicContact CE1-CD2 4.35Å; Y223-L251 HydrophobicContact CE2-CB 4.27Å; Y223-L251 HydrophobicContact CE2-CD2 4.04Å; Y223-L251 HydrophobicContact CG-CD2 4.36Å; L228-L251 HydrophobicContact CD1-CD2 3.85Å; L228-L251 HydrophobicContact CD2-CD2 3.98Å; I243-L251 HydrophobicContact CG2-CD1 3.76Å; T245-L251 HydrophobicContact CG2-CD1 3.98Å; G249-L251 PolarHBondContact O-N 3.22Å; L251-L253 HydrophobicContact CD1-CD2 4.02Å; L251-L253 HydrophobicContact CD2-CD1 4.08Å; L251-L253 HydrophobicContact CD2-CD2 4.07Å; L251-L253 HydrophobicContact CD2-CG 4.02Å; L251-L253 HydrophobicContact CG-CD2 4Å; L251-L253 HydrophobicContact CG-CG 4Å; L251-Y270 CarbonylContact O-C 3.57Å; L251-Y270 VanDerWaalsContact O-CA 3.31Å; L251-Y270 WeakPolarHBondContact O-CA 3.38Å; L251-C271 HydrophobicContact CB-CB 4.24Å; L251-C271 PolarHBondContact N-O 3.28Å; L251-C271 PolarHBondContact O-N 2.87Å
252	S	94.3	Very high	91.2	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	118.9	167.3	179.7	0	0	0	0	109.3	R244 Y269 Y270	R244-S252 PolarHBondContact N-O 2.75Å; R244-S252 PolarHBondContact NH2-OG 2.93Å; R244-S252 PolarHBondContact O-N 2.88Å; S252-Y269 CarbonylContact C-O 3.56Å; S252-Y269 WeakPolarHBondContact CA-O 3.49Å; S252-Y270 WeakPolarHBondContact OG-CE1 3.44Å
253	L	95.2	Very high	90.8	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.021	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	107	174.2	-54.6	174.4	0	0	0	108.3	L228 S242 I243 L251 Y255 E268 Y269	L228-L253 HydrophobicContact CD2-CD1 4.16Å; S242-L253 WeakPolarHBondContact O-CA 3.39Å; I243-L253 HydrophobicContact CB-CD2 4.03Å; I243-L253 HydrophobicContact CD1-CD2 4.1Å; I243-L253 HydrophobicContact CG1-CD2 3.67Å; I243-L253 HydrophobicContact CG2-CD2 3.72Å; L251-L253 HydrophobicContact CD1-CD2 4.02Å; L251-L253 HydrophobicContact CD2-CD1 4.08Å; L251-L253 HydrophobicContact CD2-CD2 4.07Å; L251-L253 HydrophobicContact CD2-CG 4.02Å; L251-L253 HydrophobicContact CG-CD2 4Å; L251-L253 HydrophobicContact CG-CG 4Å; L253-Y255 HydrophobicContact CB-CD2 4.48Å; L253-Y255 HydrophobicContact CB-CE2 3.67Å; L253-Y255 WeakPolarHBondContact CD1-OH 3.4Å; L253-E268 CarbonylContact O-C 3.53Å; L253-E268 WeakPolarHBondContact O-CA 3.36Å; L253-Y269 PolarHBondContact N-O 2.83Å; L253-Y269 PolarHBondContact O-N 2.81Å
254	Q	95.4	Very high	90.5	Very high	48 Å²	48	45.5 Å²	45.5	22%	0.224	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	114.1	177.3	179.1	-173.5	67	0	0	109.5	V241 S242 F266 V267 E268	V241-Q254 CarbonylContact C-O 3.49Å; V241-Q254 WeakPolarHBondContact CA-O 3.31Å; S242-Q254 PolarHBondContact N-O 3.23Å; S242-Q254 PolarHBondContact O-N 3.22Å; Q254-F266 HydrophobicContact CG-CB 4.42Å; Q254-F266 HydrophobicContact CG-CD1 3.97Å; Q254-V267 CarbonylContact C-O 3.47Å; Q254-V267 WeakPolarHBondContact CA-O 3.29Å; Q254-E268 HydrophobicContact CB-CG 3.99Å; Q254-E268 HydrophobicContact CG-CG 3.82Å; Q254-E268 PolarHBondContact NE2-OE1 3.37Å
255	Y	96.6	Very high	90.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	125.8	-178.3	-61.9	-79.3	0	0	0	110.3	S231 A234 L235 V241 L253 F266 V267 Y269	S231-Y255 WeakPolarHBondContact CB-OH 3.25Å; S231-Y255 PolarHBondContact OG-OH 2.92Å; A234-Y255 HydrophobicContact CB-CD1 4.3Å; A234-Y255 HydrophobicContact CB-CD2 3.44Å; A234-Y255 VanDerWaalsContact CB-CD2 3.44Å; A234-Y255 HydrophobicContact CB-CE2 3.91Å; A234-Y255 HydrophobicContact CB-CG 3.65Å; L235-Y255 HydrophobicContact CB-CD1 4.28Å; L235-Y255 HydrophobicContact CB-CE1 3.69Å; L235-Y255 HydrophobicContact CD1-CD1 4.37Å; L235-Y255 HydrophobicContact CD1-CE1 3.93Å; L235-Y255 HydrophobicContact CG-CE1 4.36Å; V241-Y255 HydrophobicContact CB-CD1 3.92Å; V241-Y255 HydrophobicContact CB-CE1 4.03Å; V241-Y255 HydrophobicContact CG2-CD1 3.68Å; V241-Y255 HydrophobicContact CG2-CE1 3.47Å; V241-Y255 VanDerWaalsContact CG2-CE1 3.47Å; V241-Y255 HydrophobicContact CG2-CG 4.47Å; L253-Y255 HydrophobicContact CB-CD2 4.48Å; L253-Y255 HydrophobicContact CB-CE2 3.67Å; L253-Y255 WeakPolarHBondContact CD1-OH 3.4Å; Y255-F266 WeakPolarHBondContact O-CA 3.3Å; Y255-V267 PolarHBondContact N-O 2.76Å; Y255-V267 PolarHBondContact O-N 2.84Å; Y255-Y269 HydrophobicContact CD2-CD2 4.13Å; Y255-Y269 AromaticContact CE2-CD2 3.8Å; Y255-Y269 HydrophobicContact CE2-CD2 3.8Å; Y255-Y269 HydrophobicContact CE2-CE2 4.5Å; Y255-Y269 HydrophobicContact CE2-CG 4.44Å
256	M	95.6	Very high	90.3	Very high	40 Å²	40	47.7 Å²	47.7	20%	0.197	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	108	174.6	-172.6	-175.3	-165.8	0	0	109.1	S238 C239 K240 I264 F266	S238-M256 CarbonylContact C-O 3.59Å; S238-M256 WeakPolarHBondContact CA-O 3.33Å; S238-M256 WeakPolarHBondContact CB-O 3.44Å; C239-M256 PolarHBondContact N-O 3.11Å; C239-M256 PolarHBondContact SG-O 3.3Å; C239-M256 VanDerWaalsContact SG-O 3.39Å; K240-M256 HydrophobicContact CB-CB 4.16Å; K240-M256 HydrophobicContact CB-SD 4.44Å; K240-M256 HydrophobicContact CD-SD 4.06Å; K240-M256 HydrophobicContact CG-SD 4.41Å; K240-M256 PolarHBondContact O-N 2.81Å; M256-I264 HydrophobicContact CE-CB 4.32Å; M256-I264 HydrophobicContact CE-CD1 3.45Å; M256-I264 VanDerWaalsContact CE-CD1 3.45Å; M256-I264 HydrophobicContact CE-CG1 3.85Å; M256-I264 HydrophobicContact CE-CG2 3.53Å; M256-I264 HydrophobicContact CG-CG2 3.78Å; M256-F266 HydrophobicContact CB-CD1 4.3Å; M256-F266 HydrophobicContact CB-CE1 3.97Å; M256-F266 HydrophobicContact CG-CD1 4.49Å; M256-F266 HydrophobicContact CG-CE1 3.84Å; M256-F266 HydrophobicContact CG-CZ 4.38Å
257	I	94.2	Very high	90.5	Very high	5 Å²	5	47.5 Å²	47.5	3%	0.026	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	125.7	178.7	-61.2	177.9	0	0	0	108.1	A33 L237 I264 C265 V267	A33-I257 HydrophobicContact CB-CD1 3.98Å; L237-I257 HydrophobicContact CB-CD1 3.93Å; L237-I257 HydrophobicContact CB-CG1 4.17Å; L237-I257 HydrophobicContact CB-CG2 4.36Å; L237-I257 HydrophobicContact CD1-CD1 4.49Å; I257-I264 WeakPolarHBondContact O-CA 3.46Å; I257-C265 PolarHBondContact N-O 2.9Å; I257-C265 PolarHBondContact O-N 3.02Å; I257-V267 HydrophobicContact CD1-CB 4.27Å; I257-V267 HydrophobicContact CD1-CG2 3.67Å
258	R	91	Very high	90.8	Very high	152 Å²	152	44.9 Å²	44.9	57%	0.574	21%	0.214	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-104.1	121.3	171.5	-176.8	-179.7	-72.3	163.7	-1.9	108.2	Q263	R258-Q263 WeakPolarHBondContact CA-O 3.33Å
259	N	83.7	Confident	91.2	Very high	25 Å²	25	39.3 Å²	39.3	13%	0.134	19%	0.193	C	C	.	.			trans	-77.9	175.7	175.5	69.9	0.2	0	0	0	111.6	N26 D261 G262 Q263	N26-N259 WeakPolarHBondContact OD1-CB 3.35Å; N26-N259 PolarHBondContact OD1-ND2 2.96Å; N259-D261 PolarHBondContact O-N 2.97Å; N259-D261 PolarHBondContact OD1-N 2.76Å; N259-G262 PolarHBondContact O-N 3.15Å; N259-G262 PolarHBondContact OD1-N 2.86Å; N259-Q263 PolarHBondContact N-O 3.08Å; N259-Q263 PolarHBondContact ND2-OE1 2.99Å; N259-Q263 WeakPolarHBondContact OD1-CA 3.29Å; N259-Q263 WeakPolarHBondContact OD1-CB 3.28Å; N259-Q263 PolarHBondContact OD1-N 2.97Å; N259-Q263 PolarHBondContact OD1-O 3.07Å; N259-Q263 VanDerWaalsContact OD1-O 3.13Å
260	E	79.1	Confident	91.3	Very high	136 Å²	136	40.6 Å²	40.6	64%	0.636	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-30.8	179.4	-65.5	-178.6	-178.9	0	0	112.5	R25 G262	R25-E260 IonicContact CZ-OE1 3.27Å; R25-E260 IonicContact CZ-OE2 3.29Å; R25-E260 IonicContact NH1-OE1 3.56Å; R25-E260 PolarHBondContact NH1-OE1 2.92Å; R25-E260 IonicContact NH1-OE2 2.86Å; R25-E260 PolarHBondContact NH1-OE2 2.85Å; R25-E260 IonicContact NH2-OE1 3.94Å; R25-E260 IonicContact NH2-OE2 2.87Å; R25-E260 PolarHBondContact NH2-OE2 3.05Å; E260-G262 PolarHBondContact O-N 3.12Å
261	D	82.3	Confident	91.4	Very high	89 Å²	89	39 Å²	39	48%	0.476	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	1.8	177.7	-55.5	-43.6	0	0	0	112.8	N26 N259 Q263	N26-D261 PolarHBondContact ND2-OD2 2.82Å; N26-D261 PolarHBondContact OD1-OD2 3.04Å; N259-D261 PolarHBondContact O-N 2.97Å; N259-D261 PolarHBondContact OD1-N 2.76Å; D261-Q263 HydrophobicContact CB-CG 4.43Å; D261-Q263 PolarHBondContact O-N 2.62Å
262	G	85.7	Confident	91.3	Very high	41 Å²	41	40.4 Å²	40.4	42%	0.423	20%	0.2	S	C	.	.	S	Bend	trans	78.4	-1.7	179.4	0	0	0	0	0	115.1	N259 E260	N259-G262 PolarHBondContact O-N 3.15Å; N259-G262 PolarHBondContact OD1-N 2.86Å; E260-G262 PolarHBondContact O-N 3.12Å
263	Q	86.5	Confident	91.2	Very high	61 Å²	61	42.1 Å²	42.1	29%	0.285	21%	0.212	S	C	.	.			trans	-66.5	148.2	172.7	-54.7	170.2	-37.3	0	0	110.4	R258 N259 D261	R258-Q263 WeakPolarHBondContact CA-O 3.33Å; N259-Q263 PolarHBondContact N-O 3.08Å; N259-Q263 PolarHBondContact ND2-OE1 2.99Å; N259-Q263 WeakPolarHBondContact OD1-CA 3.29Å; N259-Q263 WeakPolarHBondContact OD1-CB 3.28Å; N259-Q263 PolarHBondContact OD1-N 2.97Å; N259-Q263 PolarHBondContact OD1-O 3.07Å; N259-Q263 VanDerWaalsContact OD1-O 3.13Å; D261-Q263 HydrophobicContact CB-CG 4.43Å; D261-Q263 PolarHBondContact O-N 2.62Å
264	I	89.4	Confident	90.9	Very high	65 Å²	65	43.2 Å²	43.2	33%	0.333	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	128.7	-176.3	-65.2	159.2	0	0	0	108.8	M256 I257 F266	M256-I264 HydrophobicContact CE-CB 4.32Å; M256-I264 HydrophobicContact CE-CD1 3.45Å; M256-I264 VanDerWaalsContact CE-CD1 3.45Å; M256-I264 HydrophobicContact CE-CG1 3.85Å; M256-I264 HydrophobicContact CE-CG2 3.53Å; M256-I264 HydrophobicContact CG-CG2 3.78Å; I257-I264 WeakPolarHBondContact O-CA 3.46Å; I264-F266 HydrophobicContact CG2-CE1 4.37Å; I264-F266 HydrophobicContact CG2-CE2 3.88Å; I264-F266 HydrophobicContact CG2-CZ 3.78Å
265	C	91.1	Very high	89.7	Confident	5 Å²	5	49.8 Å²	49.8	3%	0.034	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	156.3	172.8	-62.2	0	0	0	0	110	I30 I69 I257	I30-C265 HydrophobicContact CD1-CB 3.49Å; I30-C265 VanDerWaalsContact CD1-CB 3.49Å; I30-C265 WeakPolarHBondContact CD1-SG 3.34Å; I30-C265 HydrophobicContact CG1-CB 4.09Å; I69-C265 WeakPolarHBondContact CD1-SG 3.27Å; I257-C265 PolarHBondContact N-O 2.9Å; I257-C265 PolarHBondContact O-N 3.02Å
266	F	92.9	Very high	87.9	Confident	73 Å²	73	56.5 Å²	56.5	32%	0.32	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	136	177.3	-63.4	-80.8	0	0	0	110.5	F64 Q254 Y255 M256 I264	F64-F266 PolarHBondContact N-O 2.92Å; Q254-F266 HydrophobicContact CG-CB 4.42Å; Q254-F266 HydrophobicContact CG-CD1 3.97Å; Y255-F266 WeakPolarHBondContact O-CA 3.3Å; M256-F266 HydrophobicContact CB-CD1 4.3Å; M256-F266 HydrophobicContact CB-CE1 3.97Å; M256-F266 HydrophobicContact CG-CD1 4.49Å; M256-F266 HydrophobicContact CG-CE1 3.84Å; M256-F266 HydrophobicContact CG-CZ 4.38Å; I264-F266 HydrophobicContact CG2-CE1 4.37Å; I264-F266 HydrophobicContact CG2-CE2 3.88Å; I264-F266 HydrophobicContact CG2-CZ 3.78Å
267	V	95.9	Very high	85.8	Confident	0 Å²	0	59 Å²	59	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	126	169.4	169.5	0	0	0	0	107.7	I30 A33 I34 N62 A63 A234 Q254 Y255 I257 Y269	I30-V267 HydrophobicContact CG2-CG2 4.07Å; A33-V267 HydrophobicContact CB-CG1 4.41Å; A33-V267 HydrophobicContact CB-CG2 4Å; I34-V267 HydrophobicContact CG2-CB 4.46Å; I34-V267 HydrophobicContact CG2-CG1 3.4Å; I34-V267 VanDerWaalsContact CG2-CG1 3.4Å; I34-V267 HydrophobicContact CG2-CG2 4.28Å; N62-V267 CarbonylContact O-C 3.57Å; N62-V267 WeakPolarHBondContact O-CA 3.24Å; A63-V267 HydrophobicContact CB-CG2 4.38Å; A234-V267 HydrophobicContact CB-CB 4.23Å; A234-V267 HydrophobicContact CB-CG1 3.75Å; Q254-V267 CarbonylContact C-O 3.47Å; Q254-V267 WeakPolarHBondContact CA-O 3.29Å; Y255-V267 PolarHBondContact N-O 2.76Å; Y255-V267 PolarHBondContact O-N 2.84Å; I257-V267 HydrophobicContact CD1-CB 4.27Å; I257-V267 HydrophobicContact CD1-CG2 3.67Å; V267-Y269 HydrophobicContact CG1-CD2 4Å; V267-Y269 HydrophobicContact CG1-CE2 3.76Å
268	E	94.7	Very high	83.4	Confident	44 Å²	44	63.4 Å²	63.4	21%	0.206	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	131.3	-178.6	-67.4	-173.9	163.3	0	0	110.6	A61 N62 L253 Q254 Y270	A61-E268 CarbonylContact C-O 3.56Å; A61-E268 VanDerWaalsContact CA-O 3.23Å; A61-E268 WeakPolarHBondContact CA-O 3.28Å; N62-E268 HydrophobicContact CB-CB 4.43Å; N62-E268 PolarHBondContact N-O 3.44Å; N62-E268 PolarHBondContact O-N 3.05Å; L253-E268 CarbonylContact O-C 3.53Å; L253-E268 WeakPolarHBondContact O-CA 3.36Å; Q254-E268 HydrophobicContact CB-CG 3.99Å; Q254-E268 HydrophobicContact CG-CG 3.82Å; Q254-E268 PolarHBondContact NE2-OE1 3.37Å; E268-Y270 HydrophobicContact CB-CE2 4.03Å; E268-Y270 PolarHBondContact OE2-OH 3.11Å
269	Y	95.2	Very high	81.2	Confident	1 Å²	1	65.6 Å²	65.6	0%	0.004	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	131.2	168.8	-84.4	-102.8	0	0	0	109.4	A33 I34 F36 V59 Q60 A61 P230 A234 S252 L253 Y255 V267	A33-Y269 PolarHBondContact O-OH 3.24Å; I34-Y269 HydrophobicContact CG2-CE2 4.46Å; F36-Y269 HydrophobicContact CD1-CE1 4.26Å; F36-Y269 AromaticContact CE1-CE1 3.95Å; F36-Y269 HydrophobicContact CE1-CE1 3.95Å; V59-Y269 HydrophobicContact CG1-CD1 4.2Å; Q60-Y269 CarbonylContact O-C 3.5Å; Q60-Y269 WeakPolarHBondContact O-CA 3.44Å; A61-Y269 HydrophobicContact CB-CD1 3.81Å; A61-Y269 HydrophobicContact CB-CD2 4.03Å; A61-Y269 HydrophobicContact CB-CE1 3.52Å; A61-Y269 HydrophobicContact CB-CE2 3.74Å; A61-Y269 HydrophobicContact CB-CG 4.06Å; A61-Y269 VanDerWaalsContact CB-CZ 3.46Å; P230-Y269 HydrophobicContact CB-CE1 4.16Å; P230-Y269 PolarHBondContact O-OH 2.85Å; A234-Y269 HydrophobicContact CB-CE2 4.01Å; S252-Y269 CarbonylContact C-O 3.56Å; S252-Y269 WeakPolarHBondContact CA-O 3.49Å; L253-Y269 PolarHBondContact N-O 2.83Å; L253-Y269 PolarHBondContact O-N 2.81Å; Y255-Y269 HydrophobicContact CD2-CD2 4.13Å; Y255-Y269 AromaticContact CE2-CD2 3.8Å; Y255-Y269 HydrophobicContact CE2-CD2 3.8Å; Y255-Y269 HydrophobicContact CE2-CE2 4.5Å; Y255-Y269 HydrophobicContact CE2-CG 4.44Å; V267-Y269 HydrophobicContact CG1-CD2 4Å; V267-Y269 HydrophobicContact CG1-CE2 3.76Å
270	Y	94.1	Very high	79.2	Confident	28 Å²	28	69 Å²	69	11%	0.11	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	137.8	169.7	-63.5	-77.2	0	0	0	109.2	V59 Q60 N62 F145 F147 L251 S252 E268	V59-Y270 VanDerWaalsContact CA-O 3.26Å; V59-Y270 WeakPolarHBondContact CA-O 3.36Å; Q60-Y270 PolarHBondContact N-O 3.28Å; Q60-Y270 VanDerWaalsContact N-O 3.09Å; Q60-Y270 PolarHBondContact O-N 3.17Å; N62-Y270 WeakPolarHBondContact ND2-CE2 3.42Å; F145-Y270 HydrophobicContact CB-CD1 4.33Å; F145-Y270 HydrophobicContact CB-CG 4.29Å; F145-Y270 HydrophobicContact CD2-CG 4.34Å; F145-Y270 HydrophobicContact CG-CG 4.11Å; F147-Y270 HydrophobicContact CB-CD1 4.09Å; F147-Y270 HydrophobicContact CB-CE1 3.53Å; F147-Y270 HydrophobicContact CD1-CE1 4.22Å; F147-Y270 HydrophobicContact CD2-CD1 4.33Å; F147-Y270 HydrophobicContact CD2-CE1 4.27Å; F147-Y270 HydrophobicContact CG-CD1 4.24Å; F147-Y270 AromaticContact CG-CE1 3.74Å; F147-Y270 HydrophobicContact CG-CE1 3.74Å; L251-Y270 CarbonylContact O-C 3.57Å; L251-Y270 VanDerWaalsContact O-CA 3.31Å; L251-Y270 WeakPolarHBondContact O-CA 3.38Å; S252-Y270 WeakPolarHBondContact OG-CE1 3.44Å; E268-Y270 HydrophobicContact CB-CE2 4.03Å; E268-Y270 PolarHBondContact OE2-OH 3.11Å
271	C	93.2	Very high	77.1	Confident	2 Å²	2	71 Å²	71	1%	0.014	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	129.9	176.8	-169.9	0	0	0	0	111.1	C58 V59 Y223 L228 L251	C58-C271 WeakPolarHBondContact O-CA 3.03Å; V59-C271 HydrophobicContact CG2-CB 3.87Å; V59-C271 WeakPolarHBondContact CG2-SG 3.45Å; Y223-C271 HydrophobicContact CD1-CB 4.27Å; L228-C271 HydrophobicContact CD2-CB 3.56Å; L228-C271 HydrophobicContact CG-CB 4.34Å; L251-C271 HydrophobicContact CB-CB 4.24Å; L251-C271 PolarHBondContact N-O 3.28Å; L251-C271 PolarHBondContact O-N 2.87Å
272	C	91.4	Very high	75.2	Confident	29 Å²	29	75.4 Å²	75.4	20%	0.196	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-67.3	145.4	168.7	-55.7	0	0	0	0	110.3	C58 Y223 F250	C58-C272 PolarHBondContact O-N 3.22Å; Y223-C272 WeakPolarHBondContact CD1-O 3.48Å; F250-C272 HydrophobicContact CD1-CB 4.49Å; F250-C272 HydrophobicContact CE1-CB 4.03Å; F250-C272 WeakPolarHBondContact CE1-SG 3.36Å
273	P	92.2	Very high	74.7	Confident	36 Å²	36	77.1 Å²	77.1	23%	0.234	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-63.8	155.4	166.3	31	-35	0	0	0	110.7	R222 Y223	R222-P273 CarbonylContact O-C 3.6Å; R222-P273 VanDerWaalsContact O-CA 3.29Å; R222-P273 WeakPolarHBondContact O-CA 3.4Å; Y223-P273 HydrophobicContact CE1-CB 4.2Å
274	D	88.5	Confident	74	Confident	27 Å²	27	77.9 Å²	77.9	14%	0.144	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-82.4	122.8	172	-158.8	10.7	0	0	0	109.4	R222 K224 E276	R222-D274 HydrophobicContact CB-CB 4.47Å; R222-D274 PolarHBondContact O-N 2.94Å; K224-D274 VanDerWaalsContact CE-CG 3.48Å; K224-D274 WeakPolarHBondContact CE-OD1 3.38Å; K224-D274 WeakPolarHBondContact CE-OD2 3.29Å; K224-D274 HydrophobicContact CG-CB 4.42Å; K224-D274 WeakPolarHBondContact CG-OD2 3.44Å; K224-D274 IonicContact NZ-OD1 3.76Å; D274-E276 VanDerWaalsContact C-N 3.26Å; D274-E276 PolarHBondContact O-N 3.06Å
275	E	70.2	Confident	73.2	Confident	187 Å²	187	78.7 Å²	78.7	87%	0.874	43%	0.427	S	S	*	.			trans	-78.6	-4.4	-173.7	-69.7	-174.5	170.1	0	0	113.6	V277	E275-V277 VanDerWaalsContact C-N 3.26Å; E275-V277 PolarHBondContact O-N 3.1Å
276	E	58.6	Low	72.1	Confident	140 Å²	140	83 Å²	83	65%	0.654	45%	0.45	S	S	*	.			trans	-75.4	74.7	177.8	-67.3	-175.5	-162.7	0	0	111.7	D274	D274-E276 VanDerWaalsContact C-N 3.26Å; D274-E276 PolarHBondContact O-N 3.06Å
277	V	52.1	Low	70.8	Confident	94 Å²	94	83.6 Å²	83.6	57%	0.57	46%	0.458	S	S	*	.			trans	-113.2	107	167.6	-176.6	0	0	0	0	109.2	E275	E275-V277 VanDerWaalsContact C-N 3.26Å; E275-V277 PolarHBondContact O-N 3.1Å
278	P	43.6	Very low	69.2	Low	97 Å²	97	89.2 Å²	89.2	63%	0.63	49%	0.489	S	S	*	.			trans	-71.4	122	150.9	-5.6	22.1	0	0	0	107.9	S280	P278-S280 PolarHBondContact O-N 2.77Å
279	E	44.6	Very low	67.4	Low	198 Å²	198	92.4 Å²	92.4	93%	0.925	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	25.3	-179.5	-72.5	-174.4	147.6	0	0	115.5
280	S	42.3	Very low	65.2	Low	95 Å²	95	99.5 Å²	99.5	66%	0.664	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.9	9.7	-169.9	63.4	0	0	0	0	116.9	P278	P278-S280 PolarHBondContact O-N 2.77Å
281	E	35.7	Very low	62.8	Low	178 Å²	178	105.4 Å²	105.4	83%	0.832	58%	0.584	S	S	*	*			trans	-129.2	76	175.7	-66.6	-168.6	174.7	0	0	112.4
282	S	41.3	Very low	60	Low	182 Å²	182	114.8 Å²	114.8	100%	1.273	64%	0.636	S	S	*	*			trans	-125.6	0	156.7	63.6	0	0	0	0	108.5

Retrieved 282 of 282 residues in 447 ms (Link to these results)

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