A0A5K4FCL1_SCHMA Loading...

tRNA-5-taurinomethyluridine 2-sulfurtransferase

AlphaFold DB , UniProt , Accession A0A5K4FCL1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 466 aa.

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(Predicted Aligned Error values between residue pairs)

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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	36.9	Very low	29.4	Very low	243 Å²	243	183.6 Å²	183.6	100%	1.197	89%	0.888	S	S	*	*				0	78.5	0	-84.4	-178.3	174.2	0	0	109.9
2	L	32.3	Very low	29.5	Very low	180 Å²	180	172.9 Å²	172.9	94%	0.942	86%	0.862	S	S	*	*			trans	-148.1	106.5	166.2	-76.7	174.5	0	0	0	106.1
3	K	28.8	Very low	29.8	Very low	203 Å²	203	168.3 Å²	168.3	88%	0.883	85%	0.852	S	S	*	*	P	Polyproline II helix	trans	-80.1	136.2	174.4	-80.2	-175.7	175	-178.8	0	108.7
4	P	32.8	Very low	29.7	Very low	123 Å²	123	167.7 Å²	167.7	80%	0.799	85%	0.852	S	S	*	*	P	Polyproline II helix	trans	-77.2	131	172	31.5	-28.5	0	0	0	109	N6	P4-N6 PolarHBondContact O-N 2.79Å
5	R	33.4	Very low	29.6	Very low	235 Å²	235	166.3 Å²	166.3	89%	0.887	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-74.8	121.2	173.1	-77.8	-179.7	172.5	-179.5	-2.5	108.9	L7	R5-L7 PolarHBondContact O-N 3.03Å
6	N	27.9	Very low	29.6	Very low	147 Å²	147	165.1 Å²	165.1	79%	0.786	84%	0.843	S	S	*	*			trans	-60.9	113.9	164.5	-87	-27.6	0	0	0	109.6	P4	P4-N6 PolarHBondContact O-N 2.79Å
7	L	28.1	Very low	29.5	Very low	173 Å²	173	161.8 Å²	161.8	91%	0.906	84%	0.836	S	S	*	*			trans	-86.9	99.8	153.1	-100.8	95.9	0	0	0	107.1	R5	R5-L7 PolarHBondContact O-N 3.03Å
8	F	26.3	Very low	29.7	Very low	184 Å²	184	159.7 Å²	159.7	81%	0.807	83%	0.825	S	S	*	*			trans	-127.3	148.4	162.5	-100.8	-86.9	0	0	0	108.4
9	S	25.5	Very low	29.9	Very low	101 Å²	101	155.8 Å²	155.8	71%	0.706	81%	0.81	S	S	*	*			trans	78.9	81.7	169.9	80.1	0	0	0	0	118.2
10	W	24.6	Very low	30.3	Very low	261 Å²	261	158.8 Å²	158.8	99%	0.989	81%	0.811	S	S	*	*			trans	-149.1	71	137.2	-87.4	95	0	0	0	109
11	I	27.4	Very low	31.5	Very low	170 Å²	170	153.4 Å²	153.4	87%	0.872	79%	0.786	S	S	*	*			trans	-136.6	85.1	158.3	-55.4	179.6	0	0	0	105.9
12	G	29.8	Very low	32.8	Very low	55 Å²	55	150.8 Å²	150.8	57%	0.567	77%	0.768	S	S	*	*			trans	-74.3	143.9	156.3	0	0	0	0	0	108.1	N14	G12-N14 PolarHBondContact O-N 3.28Å
13	P	33.1	Very low	35.1	Very low	113 Å²	113	145.7 Å²	145.7	73%	0.734	75%	0.747	S	S	*	*			trans	-67.7	108.8	171.2	29	-28.6	0	0	0	106.6	L15	P13-L15 PolarHBondContact O-N 3.35Å
14	N	29.1	Very low	38.1	Very low	160 Å²	160	137.2 Å²	137.2	86%	0.856	71%	0.711	S	S	*	*			trans	-62.2	91.6	159.3	-93.6	-23.6	0	0	0	106.1	G12 N16	G12-N14 PolarHBondContact O-N 3.28Å; N14-N16 PolarHBondContact O-N 3.38Å
15	L	28.8	Very low	41	Very low	146 Å²	146	137.1 Å²	137.1	76%	0.764	70%	0.7	S	S	*	*			trans	-46.3	113.2	155.8	-86.4	132.5	0	0	0	105.9	P13 C17	P13-L15 PolarHBondContact O-N 3.35Å; L15-C17 PolarHBondContact O-N 3.1Å
16	N	29.3	Very low	43.9	Very low	148 Å²	148	126 Å²	126	79%	0.791	66%	0.658	S	S	*	*			trans	-56.5	85.3	161.3	-81.2	-31.5	0	0	0	107.1	N14 I18	N14-N16 PolarHBondContact O-N 3.38Å; N16-I18 HydrophobicContact CB-CG1 4.4Å; N16-I18 PolarHBondContact O-N 2.87Å
17	C	28.1	Very low	47.3	Very low	108 Å²	108	119 Å²	119	73%	0.73	62%	0.621	S	S	*	*			trans	-66.4	82.1	155.4	-84.9	0	0	0	0	105.5	L15 T19	L15-C17 PolarHBondContact O-N 3.1Å; C17-T19 PolarHBondContact O-N 3.09Å
18	I	33.3	Very low	50.6	Low	125 Å²	125	110.8 Å²	110.8	64%	0.641	58%	0.578	S	S	*	*			trans	-63.5	91.2	153.9	-60.3	174.2	0	0	0	103.4	N16 Y20	N16-I18 HydrophobicContact CB-CG1 4.4Å; N16-I18 PolarHBondContact O-N 2.87Å; I18-Y20 PolarHBondContact O-N 3.42Å
19	T	33.5	Very low	54	Low	86 Å²	86	102 Å²	102	53%	0.528	54%	0.54	S	S	.	.			trans	-62.8	108	169.2	45.7	0	0	0	0	105.8	C17 V21 D176	C17-T19 PolarHBondContact O-N 3.09Å; T19-V21 VanDerWaalsContact C-N 3.32Å; T19-V21 PolarHBondContact O-N 3.06Å; T19-D176 WeakPolarHBondContact CB-OD2 3.39Å; T19-D176 PolarHBondContact OG1-OD2 3.36Å
20	Y	36.9	Very low	57.5	Low	215 Å²	215	97.8 Å²	97.8	84%	0.843	51%	0.51	S	S	*	.			trans	-63.4	100.3	171.6	-86.4	-92.4	0	0	0	106.9	I18 K22	I18-Y20 PolarHBondContact O-N 3.42Å; Y20-K22 PolarHBondContact O-N 2.56Å; Y20-K22 VanDerWaalsContact O-N 3.14Å
21	V	55	Low	60.9	Low	45 Å²	45	85.5 Å²	85.5	27%	0.273	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-53.5	123.4	168.8	178.1	0	0	0	0	106.5	T19 S23 R174	T19-V21 VanDerWaalsContact C-N 3.32Å; T19-V21 PolarHBondContact O-N 3.06Å; V21-S23 PolarHBondContact O-N 2.99Å; V21-R174 HydrophobicContact CG1-CB 4.17Å; V21-R174 HydrophobicContact CG1-CG 3.83Å; V21-R174 WeakPolarHBondContact CG2-O 3.16Å
22	K	65	Low	64	Low	188 Å²	188	80.9 Å²	80.9	82%	0.817	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-49.8	118.8	-178.3	-132	179.1	-174.1	178.4	0	108.3	Y20 I24	Y20-K22 PolarHBondContact O-N 2.56Å; Y20-K22 VanDerWaalsContact O-N 3.14Å; K22-I24 PolarHBondContact O-N 3.1Å
23	S	80.4	Confident	66.8	Low	73 Å²	73	78.3 Å²	78.3	51%	0.51	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-56.4	123.3	-178.7	169.4	0	0	0	0	109.7	V21 H25	V21-S23 PolarHBondContact O-N 2.99Å; S23-H25 WeakPolarHBondContact CB-CE1 3.48Å; S23-H25 PolarHBondContact O-N 3.43Å; S23-H25 PolarHBondContact O-ND1 3.46Å; S23-H25 PolarHBondContact OG-CE1 3.26Å; S23-H25 PolarHBondContact OG-ND1 3.13Å; S23-H25 PolarHBondContact OG-NE2 3.14Å
24	I	91.5	Very high	69.7	Low	26 Å²	26	73.9 Å²	73.9	13%	0.133	40%	0.396	C	S	.	.			trans	-79.1	113.8	176.6	-61	175.2	0	0	0	107.2	K22 V27 F49 D155 A156 L171 M208	K22-I24 PolarHBondContact O-N 3.1Å; I24-V27 HydrophobicContact CG2-CG2 4.14Å; I24-F49 HydrophobicContact CB-CE1 4.45Å; I24-F49 HydrophobicContact CG2-CD1 4.43Å; I24-F49 HydrophobicContact CG2-CE1 4.11Å; I24-D155 HydrophobicContact CB-CB 4.4Å; I24-D155 HydrophobicContact CG2-CB 3.92Å; I24-A156 HydrophobicContact CG2-CB 3.96Å; I24-L171 HydrophobicContact CD1-CB 3.71Å; I24-L171 HydrophobicContact CD1-CD1 3.63Å; I24-L171 HydrophobicContact CD1-CG 4.32Å; I24-M208 HydrophobicContact CB-CE 4.48Å; I24-M208 HydrophobicContact CD1-CE 4.02Å; I24-M208 HydrophobicContact CG2-CE 3.68Å
25	H	93.4	Very high	72.8	Confident	121 Å²	121	66.9 Å²	66.9	56%	0.56	36%	0.358	S	S	*	.			trans	-108.8	-43.8	180	-65.8	90.9	0	0	0	111.5	S23 Q50 D155	S23-H25 WeakPolarHBondContact CB-CE1 3.48Å; S23-H25 PolarHBondContact O-N 3.43Å; S23-H25 PolarHBondContact O-ND1 3.46Å; S23-H25 PolarHBondContact OG-CE1 3.26Å; S23-H25 PolarHBondContact OG-ND1 3.13Å; S23-H25 PolarHBondContact OG-NE2 3.14Å; H25-Q50 PolarHBondContact O-N 3.14Å; H25-D155 PolarHBondContact N-OD2 2.94Å
26	S	96.1	Very high	76	Confident	1 Å²	1	61.4 Å²	61.4	1%	0.007	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	136.5	-176.9	63.3	0	0	0	0	112.8	Q50 K136 A154 D155 A156	S26-Q50 VanDerWaalsContact CA-O 3.29Å; S26-Q50 WeakPolarHBondContact CA-O 3.32Å; S26-K136 WeakPolarHBondContact OG-CE 3.4Å; S26-K136 PolarHBondContact OG-NZ 3.06Å; S26-A154 WeakPolarHBondContact OG-CA 3.42Å; S26-D155 PolarHBondContact N-OD2 3.46Å; S26-D155 WeakPolarHBondContact O-CB 3.43Å; S26-D155 PolarHBondContact O-N 3.2Å; S26-D155 PolarHBondContact OG-OD2 3.45Å; S26-A156 PolarHBondContact O-N 2.88Å
27	V	98	Very high	79.2	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	124.2	-176.1	-174.9	0	0	0	0	109.7	I24 C29 L44 F49 Q50 V51 K52 A156 A158 M208	I24-V27 HydrophobicContact CG2-CG2 4.14Å; V27-C29 PolarHBondContact O-N 3.48Å; V27-L44 HydrophobicContact CG1-CD1 4Å; V27-L44 HydrophobicContact CG1-CD2 4.31Å; V27-F49 HydrophobicContact CG2-CB 4.02Å; V27-F49 HydrophobicContact CG2-CD1 3.78Å; V27-F49 HydrophobicContact CG2-CE1 4.42Å; V27-F49 HydrophobicContact CG2-CG 3.92Å; V27-Q50 PolarHBondContact N-O 3.39Å; V27-V51 WeakPolarHBondContact O-CA 3.26Å; V27-K52 PolarHBondContact O-N 2.99Å; V27-A156 WeakPolarHBondContact CA-O 3.46Å; V27-A156 HydrophobicContact CG2-CB 4.45Å; V27-A158 HydrophobicContact CG1-CB 3.72Å; V27-M208 HydrophobicContact CG1-SD 4.11Å; V27-M208 HydrophobicContact CG2-CE 4.05Å; V27-M208 HydrophobicContact CG2-SD 3.92Å
28	A	98	Very high	82.5	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.008	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	105.4	170.3	0	0	0	0	0	109.1	K52 V54 V134 A154 A156 I157 A158	A28-K52 CarbonylContact C-O 3.46Å; A28-K52 WeakPolarHBondContact CA-O 3.13Å; A28-V54 HydrophobicContact CB-CG2 3.96Å; A28-V134 HydrophobicContact CB-CB 3.97Å; A28-V134 HydrophobicContact CB-CG1 4.35Å; A28-V134 HydrophobicContact CB-CG2 3.74Å; A28-A154 HydrophobicContact CB-CB 3.73Å; A28-A156 PolarHBondContact N-O 3.43Å; A28-I157 HydrophobicContact CB-CG2 4.45Å; A28-I157 CarbonylContact O-C 3.16Å; A28-I157 WeakPolarHBondContact O-CA 3.21Å; A28-A158 PolarHBondContact O-N 3.16Å
29	C	98.5	Very high	85.6	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	120.7	177.4	-170.1	0	0	0	0	109.6	V27 I31 A41 L44 V51 K52 V54 A158	V27-C29 PolarHBondContact O-N 3.48Å; C29-I31 HydrophobicContact CB-CG1 4.47Å; C29-I31 WeakPolarHBondContact O-CG1 3.27Å; C29-I31 PolarHBondContact O-N 2.93Å; C29-A41 HydrophobicContact CB-CB 4.4Å; C29-L44 HydrophobicContact CB-CD1 4.15Å; C29-V51 HydrophobicContact CB-CG1 3.9Å; C29-K52 PolarHBondContact N-O 3.26Å; C29-V54 PolarHBondContact O-N 3.37Å; C29-A158 WeakPolarHBondContact CA-O 3.41Å; C29-A158 HydrophobicContact CB-CB 4.29Å
30	A	97.8	Very high	88.7	Confident	11 Å²	11	39.5 Å²	39.5	9%	0.091	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	118.5	170.8	0	0	0	0	0	109.6	S37 V54 M56 L130 A158 T159	A30-S37 WeakPolarHBondContact O-CB 3.48Å; A30-V54 CarbonylContact C-O 3.57Å; A30-V54 WeakPolarHBondContact CA-O 3.39Å; A30-M56 HydrophobicContact CB-CE 4.03Å; A30-L130 HydrophobicContact CB-CD2 3.96Å; A30-A158 PolarHBondContact N-O 3.27Å; A30-T159 HydrophobicContact CB-CG2 4.19Å
31	I	96.3	Very high	91.7	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.015	16%	0.164	C	C	.	.			trans	-116.9	118.3	-178.4	-54.8	-168.6	0	0	0	109.3	C29 A41 V54 F55 A77 V80 I86	C29-I31 HydrophobicContact CB-CG1 4.47Å; C29-I31 WeakPolarHBondContact O-CG1 3.27Å; C29-I31 PolarHBondContact O-N 2.93Å; I31-A41 HydrophobicContact CD1-CB 3.82Å; I31-V54 PolarHBondContact N-O 3.41Å; I31-F55 VanDerWaalsContact O-CD2 3.3Å; I31-F55 WeakPolarHBondContact O-CD2 3.33Å; I31-A77 HydrophobicContact CB-CB 4.39Å; I31-A77 HydrophobicContact CG2-CB 3.76Å; I31-V80 HydrophobicContact CD1-CG1 4.21Å; I31-V80 HydrophobicContact CG2-CG1 4.37Å; I31-I86 HydrophobicContact CD1-CD1 4.14Å
32	S	92	Very high	93.7	Very high	73 Å²	73	29.6 Å²	29.6	51%	0.51	16%	0.161	S	C	.	.			trans	-101.8	6.1	-177.4	72.3	0	0	0	0	113.6	G34 S37	S32-G34 PolarHBondContact O-N 2.91Å; S32-G34 PolarHBondContact OG-N 3.19Å; S32-S37 PolarHBondContact N-OG 2.83Å
33	G	89.6	Confident	95.3	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.01	13%	0.127	C	C	.	.	S	Bend	trans	78.4	2.5	-168.8	0	0	0	0	0	114.2
34	G	92.4	Very high	96.2	Very high	21 Å²	21	18.2 Å²	18.2	22%	0.216	10%	0.103	C	C	.	.	S	Bend	trans	-89.7	157.8	176.3	0	0	0	0	0	113.5	S32 D36 S37 A38	S32-G34 PolarHBondContact O-N 2.91Å; S32-G34 PolarHBondContact OG-N 3.19Å; G34-D36 VanDerWaalsContact C-N 3.3Å; G34-D36 PolarHBondContact O-N 3.4Å; G34-S37 PolarHBondContact O-N 3.37Å; G34-S37 PolarHBondContact O-OG 3.42Å; G34-A38 PolarHBondContact O-N 3.19Å; G34-A38 VanDerWaalsContact O-N 3.15Å
35	V	95.2	Very high	96.5	Very high	12 Å²	12	21.6 Å²	21.6	7%	0.073	12%	0.117	C	C	.	.	H	α-helix	trans	-59.2	-38.1	-179.6	68.7	0	0	0	0	113	A38 V39 A223 I231	V35-A38 PolarHBondContact O-N 2.94Å; V35-V39 HydrophobicContact CG2-CG2 4.28Å; V35-V39 WeakPolarHBondContact O-CG2 3.48Å; V35-V39 PolarHBondContact O-N 3.02Å; V35-A223 HydrophobicContact CG2-CB 3.43Å; V35-A223 VanDerWaalsContact CG2-CB 3.43Å; V35-I231 HydrophobicContact CB-CG2 4.15Å
36	D	96.2	Very high	96.7	Very high	31 Å²	31	22.9 Å²	22.9	17%	0.166	12%	0.121	C	C	.	.	H	α-helix	trans	-66.7	-46.8	-175.8	-54	-53.1	0	0	0	111.3	G34 A38 V39 S40 G160 Y162 K216	G34-D36 VanDerWaalsContact C-N 3.3Å; G34-D36 PolarHBondContact O-N 3.4Å; D36-A38 VanDerWaalsContact C-N 3.31Å; D36-A38 PolarHBondContact O-N 3.04Å; D36-V39 PolarHBondContact O-N 3.32Å; D36-S40 WeakPolarHBondContact O-CB 3.41Å; D36-S40 PolarHBondContact O-N 3.46Å; D36-S40 PolarHBondContact O-OG 2.99Å; D36-G160 WeakPolarHBondContact CB-O 3.24Å; D36-Y162 HydrophobicContact CB-CE2 4.25Å; D36-Y162 WeakPolarHBondContact OD1-CE2 3.38Å; D36-Y162 PolarHBondContact OD1-OH 2.86Å; D36-K216 IonicContact OD1-NZ 3.95Å; D36-K216 PolarHBondContact OD1-NZ 3.33Å; D36-K216 IonicContact OD2-NZ 3.38Å; D36-K216 PolarHBondContact OD2-NZ 3.3Å
37	S	97	Very high	96.8	Very high	6 Å²	6	28.9 Å²	28.9	4%	0.042	15%	0.146	C	C	.	.	H	α-helix	trans	-66	-34.1	175.6	53.1	0	0	0	0	113	A30 S32 G34 S40 A41	A30-S37 WeakPolarHBondContact O-CB 3.48Å; S32-S37 PolarHBondContact N-OG 2.83Å; G34-S37 PolarHBondContact O-N 3.37Å; G34-S37 PolarHBondContact O-OG 3.42Å; S37-S40 PolarHBondContact O-N 3.24Å; S37-A41 PolarHBondContact O-N 2.89Å
38	A	97.3	Very high	96.8	Very high	1 Å²	1	32 Å²	32	1%	0.008	18%	0.179	C	C	.	.	H	α-helix	trans	-67.5	-44	178.1	0	0	0	0	0	111.7	G34 V35 D36 A41 Y42 V80 L228 I231	G34-A38 PolarHBondContact O-N 3.19Å; G34-A38 VanDerWaalsContact O-N 3.15Å; V35-A38 PolarHBondContact O-N 2.94Å; D36-A38 VanDerWaalsContact C-N 3.31Å; D36-A38 PolarHBondContact O-N 3.04Å; A38-A41 PolarHBondContact O-N 3.08Å; A38-Y42 PolarHBondContact O-N 2.91Å; A38-V80 HydrophobicContact CB-CB 4.38Å; A38-V80 HydrophobicContact CB-CG1 3.66Å; A38-V80 HydrophobicContact CB-CG2 3.72Å; A38-L228 HydrophobicContact CB-CD1 3.94Å; A38-I231 HydrophobicContact CB-CG2 4.34Å
39	V	97.9	Very high	96.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-67.6	-39.1	175	173.5	0	0	0	0	110.9	V35 D36 A41 Y42 L43 V211 V219 I222 A223	V35-V39 HydrophobicContact CG2-CG2 4.28Å; V35-V39 WeakPolarHBondContact O-CG2 3.48Å; V35-V39 PolarHBondContact O-N 3.02Å; D36-V39 PolarHBondContact O-N 3.32Å; V39-A41 VanDerWaalsContact C-N 3.35Å; V39-A41 PolarHBondContact O-N 2.86Å; V39-Y42 PolarHBondContact O-N 3.37Å; V39-L43 HydrophobicContact CG1-CD1 3.87Å; V39-L43 HydrophobicContact CG1-CG 4.11Å; V39-L43 WeakPolarHBondContact O-CB 3.37Å; V39-L43 VanDerWaalsContact O-CG 3.27Å; V39-L43 WeakPolarHBondContact O-CG 3.3Å; V39-L43 PolarHBondContact O-N 2.58Å; V39-V211 HydrophobicContact CG1-CG1 4.19Å; V39-V219 HydrophobicContact CB-CG1 3.88Å; V39-V219 HydrophobicContact CG1-CG1 4.06Å; V39-V219 HydrophobicContact CG2-CG1 3.86Å; V39-V219 WeakPolarHBondContact CG2-O 3.15Å; V39-I222 HydrophobicContact CG1-CB 4.21Å; V39-I222 HydrophobicContact CG1-CD1 4.31Å; V39-I222 HydrophobicContact CG1-CG2 3.86Å; V39-I222 HydrophobicContact CG2-CG2 4.35Å; V39-A223 HydrophobicContact CG2-CB 3.76Å
40	S	98.6	Very high	96.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-55.6	-48.7	171.9	-79.7	0	0	0	0	112	D36 S37 Y42 L43 L44 T159	D36-S40 WeakPolarHBondContact O-CB 3.41Å; D36-S40 PolarHBondContact O-N 3.46Å; D36-S40 PolarHBondContact O-OG 2.99Å; S37-S40 PolarHBondContact O-N 3.24Å; S40-Y42 PolarHBondContact O-N 2.93Å; S40-L43 PolarHBondContact O-N 3.2Å; S40-L44 WeakPolarHBondContact O-CD1 3.43Å; S40-L44 VanDerWaalsContact O-CG 3.29Å; S40-L44 WeakPolarHBondContact O-CG 3.44Å; S40-L44 PolarHBondContact O-N 3.14Å; S40-T159 PolarHBondContact OG-O 3.34Å
41	A	98.7	Very high	96.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61.1	-42.7	177.5	0	0	0	0	0	112.1	C29 I31 S37 A38 V39 L44 K45 V51 L84 I86	C29-A41 HydrophobicContact CB-CB 4.4Å; I31-A41 HydrophobicContact CD1-CB 3.82Å; S37-A41 PolarHBondContact O-N 2.89Å; A38-A41 PolarHBondContact O-N 3.08Å; V39-A41 VanDerWaalsContact C-N 3.35Å; V39-A41 PolarHBondContact O-N 2.86Å; A41-L44 PolarHBondContact O-N 3.32Å; A41-K45 PolarHBondContact O-N 3.26Å; A41-V51 HydrophobicContact CB-CG1 4.46Å; A41-L84 HydrophobicContact CB-CD1 3.8Å; A41-I86 HydrophobicContact CB-CD1 4.12Å
42	Y	98.5	Very high	96.8	Very high	53 Å²	53	40 Å²	40	21%	0.208	21%	0.214	C	C	.	.	H	α-helix	trans	-60.2	-48.5	174.8	166.6	-102.1	0	0	0	112.3	A38 V39 S40 L44 K45 K46 L84 I222 I226	A38-Y42 PolarHBondContact O-N 2.91Å; V39-Y42 PolarHBondContact O-N 3.37Å; S40-Y42 PolarHBondContact O-N 2.93Å; Y42-L44 VanDerWaalsContact C-N 3.3Å; Y42-L44 PolarHBondContact O-N 3.35Å; Y42-K45 PolarHBondContact O-N 3Å; Y42-K46 HydrophobicContact CE1-CD 4.03Å; Y42-K46 WeakPolarHBondContact O-CB 3.48Å; Y42-K46 PolarHBondContact O-N 2.95Å; Y42-L84 HydrophobicContact CD2-CD2 4.08Å; Y42-I222 HydrophobicContact CD1-CG2 3.79Å; Y42-I222 HydrophobicContact CE1-CG2 3.81Å; Y42-I226 HydrophobicContact CD1-CD1 3.98Å; Y42-I226 HydrophobicContact CD1-CG2 4.26Å; Y42-I226 HydrophobicContact CD2-CD1 3.78Å; Y42-I226 HydrophobicContact CD2-CG2 4.11Å; Y42-I226 HydrophobicContact CE1-CG2 3.8Å; Y42-I226 HydrophobicContact CE2-CB 4.38Å; Y42-I226 HydrophobicContact CE2-CD1 4.38Å; Y42-I226 HydrophobicContact CE2-CG2 3.62Å; Y42-I226 HydrophobicContact CG-CD1 3.55Å; Y42-I226 HydrophobicContact CG-CG2 4.4Å; Y42-I226 VanDerWaalsContact CZ-CG2 3.45Å
43	L	98.7	Very high	97.1	Very high	21 Å²	21	36.5 Å²	36.5	11%	0.11	19%	0.189	C	C	.	.	H	α-helix	trans	-62.3	-39	-178.4	-70.8	173.1	0	0	0	111.8	V39 S40 K46 K47 P210 V211 L214	V39-L43 HydrophobicContact CG1-CD1 3.87Å; V39-L43 HydrophobicContact CG1-CG 4.11Å; V39-L43 WeakPolarHBondContact O-CB 3.37Å; V39-L43 VanDerWaalsContact O-CG 3.27Å; V39-L43 WeakPolarHBondContact O-CG 3.3Å; V39-L43 PolarHBondContact O-N 2.58Å; S40-L43 PolarHBondContact O-N 3.2Å; L43-K46 PolarHBondContact O-N 3.13Å; L43-K47 PolarHBondContact O-N 3.33Å; L43-K47 VanDerWaalsContact O-N 3.13Å; L43-P210 HydrophobicContact CB-CB 4.14Å; L43-P210 HydrophobicContact CD1-CB 4.16Å; L43-P210 WeakPolarHBondContact CD1-O 3.44Å; L43-V211 HydrophobicContact CD1-CG1 4.38Å; L43-L214 HydrophobicContact CD1-CD1 3.84Å
44	L	98.7	Very high	97.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-63.1	-48.3	173.6	-69.1	162.8	0	0	0	111.4	V27 C29 S40 A41 Y42 K46 K47 G48 F49 V51 A158 Y170 M208 P210	V27-L44 HydrophobicContact CG1-CD1 4Å; V27-L44 HydrophobicContact CG1-CD2 4.31Å; C29-L44 HydrophobicContact CB-CD1 4.15Å; S40-L44 WeakPolarHBondContact O-CD1 3.43Å; S40-L44 VanDerWaalsContact O-CG 3.29Å; S40-L44 WeakPolarHBondContact O-CG 3.44Å; S40-L44 PolarHBondContact O-N 3.14Å; A41-L44 PolarHBondContact O-N 3.32Å; Y42-L44 VanDerWaalsContact C-N 3.3Å; Y42-L44 PolarHBondContact O-N 3.35Å; L44-K46 VanDerWaalsContact C-N 3.32Å; L44-K46 PolarHBondContact O-N 2.92Å; L44-K47 PolarHBondContact O-N 3.39Å; L44-K47 VanDerWaalsContact O-N 3.14Å; L44-G48 PolarHBondContact O-N 2.9Å; L44-F49 HydrophobicContact CB-CD2 4.29Å; L44-F49 HydrophobicContact CD2-CD2 3.81Å; L44-F49 HydrophobicContact CD2-CE2 4.14Å; L44-F49 WeakPolarHBondContact O-CD2 3.36Å; L44-F49 PolarHBondContact O-N 2.9Å; L44-V51 HydrophobicContact CB-CG2 3.52Å; L44-A158 HydrophobicContact CD1-CB 3.39Å; L44-Y170 HydrophobicContact CD2-CD1 3.94Å; L44-Y170 HydrophobicContact CD2-CE1 4.17Å; L44-M208 HydrophobicContact CD2-SD 3.57Å; L44-M208 VanDerWaalsContact CD2-SD 3.57Å; L44-P210 HydrophobicContact CD1-CG 3.99Å; L44-P210 HydrophobicContact CD2-CG 3.95Å; L44-P210 HydrophobicContact CG-CG 3.76Å
45	K	98.3	Very high	97.6	Very high	97 Å²	97	36 Å²	36	42%	0.422	18%	0.181	S	C	.	.	H	α-helix	trans	-59.9	-44	177.5	-175.3	179	-179.7	-178.3	0	111.2	A41 Y42 K47 G48 V51 L84 I86	A41-K45 PolarHBondContact O-N 3.26Å; Y42-K45 PolarHBondContact O-N 3Å; K45-K47 PolarHBondContact O-N 3.45Å; K45-G48 PolarHBondContact O-N 2.97Å; K45-V51 HydrophobicContact CB-CG2 4.17Å; K45-L84 VanDerWaalsContact CD-O 3.29Å; K45-L84 WeakPolarHBondContact CD-O 2.97Å; K45-L84 WeakPolarHBondContact CE-O 3.04Å; K45-L84 PolarHBondContact NZ-O 3.49Å; K45-I86 HydrophobicContact CD-CG2 4.13Å
46	K	97.9	Very high	97.5	Very high	148 Å²	148	36.9 Å²	36.9	64%	0.643	19%	0.185	S	C	*	.	H	α-helix	trans	-59.6	-32	177.9	-172.4	-179.4	-173.2	170.6	0	112.5	Y42 L43 L44 G48	Y42-K46 HydrophobicContact CE1-CD 4.03Å; Y42-K46 WeakPolarHBondContact O-CB 3.48Å; Y42-K46 PolarHBondContact O-N 2.95Å; L43-K46 PolarHBondContact O-N 3.13Å; L44-K46 VanDerWaalsContact C-N 3.32Å; L44-K46 PolarHBondContact O-N 2.92Å; K46-G48 VanDerWaalsContact C-N 3.27Å
47	K	97.2	Very high	97.3	Very high	127 Å²	127	36.4 Å²	36.4	55%	0.552	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-2.7	174.5	-78	-169.4	177.5	-70	0	114.5	L43 L44 K45 F49 Y170	L43-K47 PolarHBondContact O-N 3.33Å; L43-K47 VanDerWaalsContact O-N 3.13Å; L44-K47 PolarHBondContact O-N 3.39Å; L44-K47 VanDerWaalsContact O-N 3.14Å; K45-K47 PolarHBondContact O-N 3.45Å; K47-F49 HydrophobicContact CB-CD2 3.94Å; K47-F49 HydrophobicContact CB-CE2 3.91Å; K47-F49 HydrophobicContact CD-CE2 4.32Å; K47-Y170 HydrophobicContact CD-CD1 3.57Å; K47-Y170 HydrophobicContact CD-CD2 3.95Å; K47-Y170 HydrophobicContact CD-CE1 3.57Å; K47-Y170 HydrophobicContact CD-CE2 3.96Å; K47-Y170 HydrophobicContact CD-CG 3.74Å; K47-Y170 VanDerWaalsContact CE-CD2 3.44Å
48	G	97.3	Very high	97	Very high	66 Å²	66	37 Å²	37	68%	0.68	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.3	10.3	176.2	0	0	0	0	0	115	L44 K45 K46	L44-G48 PolarHBondContact O-N 2.9Å; K45-G48 PolarHBondContact O-N 2.97Å; K46-G48 VanDerWaalsContact C-N 3.27Å
49	F	98.1	Very high	96.4	Very high	38 Å²	38	38.1 Å²	38.1	17%	0.167	19%	0.19	C	C	.	.			trans	-70	146.4	172.9	-66.3	-73.1	0	0	0	111.2	I24 V27 L44 K47 V51 Y170 M208	I24-F49 HydrophobicContact CB-CE1 4.45Å; I24-F49 HydrophobicContact CG2-CD1 4.43Å; I24-F49 HydrophobicContact CG2-CE1 4.11Å; V27-F49 HydrophobicContact CG2-CB 4.02Å; V27-F49 HydrophobicContact CG2-CD1 3.78Å; V27-F49 HydrophobicContact CG2-CE1 4.42Å; V27-F49 HydrophobicContact CG2-CG 3.92Å; L44-F49 HydrophobicContact CB-CD2 4.29Å; L44-F49 HydrophobicContact CD2-CD2 3.81Å; L44-F49 HydrophobicContact CD2-CE2 4.14Å; L44-F49 WeakPolarHBondContact O-CD2 3.36Å; L44-F49 PolarHBondContact O-N 2.9Å; K47-F49 HydrophobicContact CB-CD2 3.94Å; K47-F49 HydrophobicContact CB-CE2 3.91Å; K47-F49 HydrophobicContact CD-CE2 4.32Å; F49-V51 HydrophobicContact CB-CG2 4.22Å; F49-V51 PolarHBondContact O-N 2.84Å; F49-V51 VanDerWaalsContact O-N 3.08Å; F49-Y170 HydrophobicContact CE2-CD1 4.03Å; F49-M208 HydrophobicContact CE1-CE 4.02Å; F49-M208 HydrophobicContact CZ-CE 3.96Å; F49-M208 HydrophobicContact CZ-SD 4.47Å
50	Q	97.6	Very high	95.4	Very high	120 Å²	120	41 Å²	41	56%	0.561	21%	0.205	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-77.5	91.9	166.7	-171.6	-172.1	35.3	0	0	109	H25 S26 V27	H25-Q50 PolarHBondContact O-N 3.14Å; S26-Q50 VanDerWaalsContact CA-O 3.29Å; S26-Q50 WeakPolarHBondContact CA-O 3.32Å; V27-Q50 PolarHBondContact N-O 3.39Å
51	V	98.4	Very high	93.9	Very high	5 Å²	5	42.1 Å²	42.1	3%	0.03	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	137.5	-176.3	-170.3	0	0	0	0	110.9	V27 C29 A41 L44 K45 F49 I86 P87	V27-V51 WeakPolarHBondContact O-CA 3.26Å; C29-V51 HydrophobicContact CB-CG1 3.9Å; A41-V51 HydrophobicContact CB-CG1 4.46Å; L44-V51 HydrophobicContact CB-CG2 3.52Å; K45-V51 HydrophobicContact CB-CG2 4.17Å; F49-V51 HydrophobicContact CB-CG2 4.22Å; F49-V51 PolarHBondContact O-N 2.84Å; F49-V51 VanDerWaalsContact O-N 3.08Å; V51-I86 HydrophobicContact CB-CD1 4.47Å; V51-I86 HydrophobicContact CB-CG2 4.07Å; V51-I86 HydrophobicContact CG1-CD1 3.92Å; V51-P87 WeakPolarHBondContact O-CD 3.31Å
52	K	98	Very high	92.1	Very high	20 Å²	20	49.1 Å²	49.1	9%	0.087	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	121.4	170.1	-58.8	175.6	-174.8	-178	0	107.8	V27 A28 C29 F89 N151 A153	V27-K52 PolarHBondContact O-N 2.99Å; A28-K52 CarbonylContact C-O 3.46Å; A28-K52 WeakPolarHBondContact CA-O 3.13Å; C29-K52 PolarHBondContact N-O 3.26Å; K52-F89 HydrophobicContact CB-CD2 4.18Å; K52-F89 HydrophobicContact CB-CE2 4.01Å; K52-F89 HydrophobicContact CD-CE2 4.15Å; K52-F89 HydrophobicContact CG-CE2 4.16Å; K52-N151 WeakPolarHBondContact CD-O 3.43Å; K52-N151 VanDerWaalsContact CE-O 3.27Å; K52-N151 WeakPolarHBondContact CE-O 3.41Å; K52-N151 PolarHBondContact NZ-O 3.2Å; K52-A153 PolarHBondContact NZ-O 2.99Å
53	G	98.2	Very high	90	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	132.7	175.1	0	0	0	0	0	110.6	P87 F89	G53-P87 PolarHBondContact N-O 3.14Å; G53-F89 PolarHBondContact O-N 2.82Å
54	V	97.4	Very high	88	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.006	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	116.8	178.7	-168.2	0	0	0	0	109.6	A28 C29 A30 I31 F89 K91 L130 L152	A28-V54 HydrophobicContact CB-CG2 3.96Å; C29-V54 PolarHBondContact O-N 3.37Å; A30-V54 CarbonylContact C-O 3.57Å; A30-V54 WeakPolarHBondContact CA-O 3.39Å; I31-V54 PolarHBondContact N-O 3.41Å; V54-F89 CarbonylContact C-O 3.42Å; V54-F89 WeakPolarHBondContact CA-O 3.29Å; V54-K91 HydrophobicContact CG1-CG 4.25Å; V54-L130 HydrophobicContact CG1-CD1 3.95Å; V54-L152 HydrophobicContact CG2-CD1 3.57Å
55	F	95.5	Very high	85.8	Confident	9 Å²	9	64.2 Å²	64.2	4%	0.039	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	137.9	170	-175.4	-94.9	0	0	0	109.8	I31 L70 D73 R74 A77 F88 F89 E90 K91	I31-F55 VanDerWaalsContact O-CD2 3.3Å; I31-F55 WeakPolarHBondContact O-CD2 3.33Å; F55-L70 HydrophobicContact CZ-CG 4.45Å; F55-D73 HydrophobicContact CE2-CB 4.13Å; F55-D73 HydrophobicContact CZ-CB 4.33Å; F55-R74 HydrophobicContact CD1-CB 4.21Å; F55-R74 HydrophobicContact CD1-CG 4.14Å; F55-R74 HydrophobicContact CE1-CB 3.77Å; F55-R74 HydrophobicContact CE1-CG 4.13Å; F55-R74 HydrophobicContact CE2-CB 4.17Å; F55-R74 HydrophobicContact CZ-CB 3.74Å; F55-A77 HydrophobicContact CB-CB 4.5Å; F55-A77 HydrophobicContact CD2-CB 3.63Å; F55-A77 HydrophobicContact CE2-CB 4.31Å; F55-A77 HydrophobicContact CG-CB 4.42Å; F55-F88 HydrophobicContact CB-CE2 3.59Å; F55-F88 HydrophobicContact CB-CZ 3.55Å; F55-F88 HydrophobicContact CG-CE2 4.49Å; F55-F88 HydrophobicContact CG-CZ 4.23Å; F55-F89 PolarHBondContact N-O 3.11Å; F55-E90 HydrophobicContact CB-CG 4.48Å; F55-E90 CarbonylContact O-C 3.52Å; F55-E90 WeakPolarHBondContact O-CA 3.21Å; F55-K91 PolarHBondContact O-N 3.12Å
56	M	93.1	Very high	83.7	Confident	31 Å²	31	62.9 Å²	62.9	15%	0.153	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	123.4	-179.7	-67.2	174.6	-71.2	0	0	110.2	A30 K91 F93 K126 L130	A30-M56 HydrophobicContact CB-CE 4.03Å; M56-K91 CarbonylContact C-O 3.59Å; M56-K91 VanDerWaalsContact CA-O 3.32Å; M56-K91 WeakPolarHBondContact CA-O 3.5Å; M56-F93 HydrophobicContact CB-CD2 4.38Å; M56-F93 HydrophobicContact CG-CD2 4.12Å; M56-F93 HydrophobicContact CG-CE2 3.95Å; M56-F93 HydrophobicContact SD-CD2 4.23Å; M56-F93 HydrophobicContact SD-CE2 4.01Å; M56-K126 HydrophobicContact CE-CG 4.12Å; M56-L130 HydrophobicContact CE-CD2 4.26Å; M56-L130 HydrophobicContact CG-CD1 4.39Å; M56-L130 HydrophobicContact SD-CB 4.07Å; M56-L130 HydrophobicContact SD-CD1 4.05Å; M56-L130 HydrophobicContact SD-CD2 3.98Å; M56-L130 HydrophobicContact SD-CG 4.25Å
57	T	91.3	Very high	81.6	Confident	21 Å²	21	63 Å²	63	13%	0.129	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	108.4	170.2	-59.2	0	0	0	0	108.5	L70 K91 N92 F93 V94	T57-L70 HydrophobicContact CG2-CD2 3.87Å; T57-K91 PolarHBondContact N-O 2.78Å; T57-N92 WeakPolarHBondContact O-CA 3.44Å; T57-F93 PolarHBondContact O-N 3.03Å; T57-V94 HydrophobicContact CG2-CG2 3.96Å; T57-V94 PolarHBondContact O-N 2.89Å
58	N	89.9	Confident	79.9	Confident	19 Å²	19	59.8 Å²	59.8	10%	0.102	32%	0.32	C	S	.	.			trans	-111.6	-6.1	-175.9	-60.6	-18.7	0	0	0	113.1	Y97	N58-Y97 HydrophobicContact CB-CD2 3.74Å; N58-Y97 HydrophobicContact CB-CE2 4.42Å; N58-Y97 HydrophobicContact CB-CG 3.98Å; N58-Y97 WeakPolarHBondContact O-CB 3.49Å; N58-Y97 WeakPolarHBondContact O-CD1 3.42Å; N58-Y97 VanDerWaalsContact O-CG 3.27Å
59	W	85.9	Confident	78.4	Confident	24 Å²	24	59.8 Å²	59.8	9%	0.091	31%	0.309	C	S	.	.	S	Bend	trans	-144.2	136.7	178.8	-165.9	-97.4	0	0	0	109.2	E64 Y97 W98 F102 F242 F251	W59-E64 PolarHBondContact NE1-OE2 3.2Å; W59-Y97 AromaticContact CE3-CD1 3.94Å; W59-Y97 HydrophobicContact CE3-CD1 3.94Å; W59-Y97 HydrophobicContact CE3-CE1 4.01Å; W59-Y97 HydrophobicContact CZ3-CD1 4.27Å; W59-Y97 HydrophobicContact CZ3-CE1 4.26Å; W59-W98 AromaticContact CH2-CE3 3.96Å; W59-W98 HydrophobicContact CH2-CE3 3.96Å; W59-W98 AromaticContact CH2-CZ3 3.66Å; W59-W98 HydrophobicContact CH2-CZ3 3.66Å; W59-W98 HydrophobicContact CZ2-CZ3 4.4Å; W59-W98 AromaticContact CZ3-CE3 3.92Å; W59-W98 HydrophobicContact CZ3-CE3 3.92Å; W59-W98 HydrophobicContact CZ3-CZ3 4.12Å; W59-F102 AromaticContact CH2-CD1 3.92Å; W59-F102 HydrophobicContact CH2-CD1 3.92Å; W59-F102 AromaticContact CH2-CD2 3.74Å; W59-F102 HydrophobicContact CH2-CD2 3.74Å; W59-F102 AromaticContact CH2-CE1 3.82Å; W59-F102 HydrophobicContact CH2-CE1 3.82Å; W59-F102 AromaticContact CH2-CE2 3.65Å; W59-F102 HydrophobicContact CH2-CE2 3.65Å; W59-F102 AromaticContact CH2-CG 3.88Å; W59-F102 HydrophobicContact CH2-CG 3.88Å; W59-F102 AromaticContact CH2-CZ 3.68Å; W59-F102 HydrophobicContact CH2-CZ 3.68Å; W59-F102 HydrophobicContact CZ3-CB 4.14Å; W59-F102 HydrophobicContact CZ3-CD1 4.08Å; W59-F102 AromaticContact CZ3-CD2 3.68Å; W59-F102 HydrophobicContact CZ3-CD2 3.68Å; W59-F102 HydrophobicContact CZ3-CE1 4.44Å; W59-F102 HydrophobicContact CZ3-CE2 4.09Å; W59-F102 AromaticContact CZ3-CG 3.69Å; W59-F102 HydrophobicContact CZ3-CG 3.69Å; W59-F102 HydrophobicContact CZ3-CZ 4.44Å; W59-F242 HydrophobicContact CB-CB 4.1Å; W59-F242 HydrophobicContact CD2-CB 3.5Å; W59-F242 VanDerWaalsContact CD2-CB 3.5Å; W59-F242 HydrophobicContact CD2-CG 4.42Å; W59-F242 HydrophobicContact CE3-CB 3.72Å; W59-F242 HydrophobicContact CE3-CG 4.26Å; W59-F242 HydrophobicContact CG-CB 3.67Å; W59-F242 HydrophobicContact CZ3-CB 4.36Å; W59-F242 HydrophobicContact CZ3-CG 4.48Å; W59-F251 HydrophobicContact CH2-CZ 4.26Å; W59-F251 HydrophobicContact CZ2-CE2 4.12Å; W59-F251 HydrophobicContact CZ2-CZ 4.09Å
60	D	77	Confident	77.2	Confident	62 Å²	62	59.9 Å²	59.9	33%	0.332	31%	0.311	S	S	.	.			trans	-95.8	116.8	173.9	-162.7	-20.9	0	0	0	109.7	L62 V94	D60-L62 VanDerWaalsContact OD1-CB 3.28Å; D60-L62 WeakPolarHBondContact OD1-CB 3.46Å; D60-L62 PolarHBondContact OD1-N 3.18Å; D60-V94 HydrophobicContact CB-CG1 4.23Å
61	S	67.3	Low	76.3	Confident	23 Å²	23	57 Å²	57	16%	0.161	30%	0.3	C	S	.	.	S	Bend	trans	-83.9	-13.2	178.1	48.6	0	0	0	0	113.6	D63 E64	S61-D63 VanDerWaalsContact C-N 3.29Å; S61-D63 PolarHBondContact O-N 3.03Å; S61-E64 PolarHBondContact O-N 3.15Å
62	L	59.2	Low	75.7	Confident	147 Å²	147	62.2 Å²	62.2	77%	0.77	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-67.7	-31.4	-177.5	-68.4	168.8	0	0	0	112	D60 E64	D60-L62 VanDerWaalsContact OD1-CB 3.28Å; D60-L62 WeakPolarHBondContact OD1-CB 3.46Å; D60-L62 PolarHBondContact OD1-N 3.18Å; L62-E64 PolarHBondContact O-N 3.04Å
63	D	55.5	Low	75.3	Confident	141 Å²	141	62.9 Å²	62.9	75%	0.754	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-68.9	-17.2	178.4	-73.5	-24.3	0	0	0	113.2	S61	S61-D63 VanDerWaalsContact C-N 3.29Å; S61-D63 PolarHBondContact O-N 3.03Å
64	E	57.1	Low	75	Confident	41 Å²	41	67.8 Å²	67.8	19%	0.192	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-111.8	1.6	-169.6	-60.6	-170	113.2	0	0	114.7	W59 S61 L62 I66 R246 Y255	W59-E64 PolarHBondContact NE1-OE2 3.2Å; S61-E64 PolarHBondContact O-N 3.15Å; L62-E64 PolarHBondContact O-N 3.04Å; E64-I66 HydrophobicContact CB-CD1 3.52Å; E64-I66 HydrophobicContact CB-CG1 3.95Å; E64-I66 WeakPolarHBondContact O-CG1 3.32Å; E64-R246 IonicContact OE1-CZ 3.16Å; E64-R246 IonicContact OE1-NH1 3.03Å; E64-R246 PolarHBondContact OE1-NH1 3.24Å; E64-R246 IonicContact OE1-NH2 2.72Å; E64-R246 IonicContact OE2-CZ 2.65Å; E64-R246 IonicContact OE2-NH1 3.36Å; E64-R246 PolarHBondContact OE2-NH1 3Å; E64-R246 IonicContact OE2-NH2 2.85Å; E64-R246 PolarHBondContact OE2-NH2 3.48Å; E64-R246 VanDerWaalsContact OE2-NH2 3.15Å; E64-Y255 PolarHBondContact OE1-OH 2.71Å
65	K	52.7	Low	74.8	Confident	208 Å²	208	73 Å²	73	90%	0.904	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	45.7	-175.2	-59.3	-178.5	179.7	176.2	0	113.6
66	I	53.4	Low	74.7	Confident	69 Å²	69	72.8 Å²	72.8	35%	0.354	37%	0.369	S	S	.	.			trans	-114.3	144.9	-173.4	-63.3	168.7	0	0	0	113	E64 C68	E64-I66 HydrophobicContact CB-CD1 3.52Å; E64-I66 HydrophobicContact CB-CG1 3.95Å; E64-I66 WeakPolarHBondContact O-CG1 3.32Å; I66-C68 PolarHBondContact O-N 3.26Å
67	D	53.3	Low	74.8	Confident	151 Å²	151	71.3 Å²	71.3	81%	0.807	36%	0.361	S	S	*	.			trans	-56.8	94.1	175.2	-159.7	13.9	0	0	0	113.1	S69	D67-S69 PolarHBondContact O-N 2.84Å
68	C	61.4	Low	75.1	Confident	59 Å²	59	73.2 Å²	73.2	40%	0.399	37%	0.369	S	S	.	.			trans	35.6	13.3	141.2	-152.7	0	0	0	0	121.3	I66 L70 D71 K72	I66-C68 PolarHBondContact O-N 3.26Å; C68-L70 VanDerWaalsContact C-N 3.35Å; C68-L70 PolarHBondContact O-N 3.07Å; C68-D71 PolarHBondContact O-N 3.5Å; C68-D71 WeakPolarHBondContact SG-CB 3.49Å; C68-D71 PolarHBondContact SG-OD2 3.12Å; C68-K72 PolarHBondContact O-N 3.26Å; C68-K72 VanDerWaalsContact O-N 3.12Å
69	S	67.1	Low	75.4	Confident	66 Å²	66	75.1 Å²	75.1	46%	0.462	38%	0.377	S	S	.	.	H	α-helix	trans	-63.6	-37.7	-175.6	63.6	0	0	0	0	113.4	D67 K72 D73	D67-S69 PolarHBondContact O-N 2.84Å; S69-K72 PolarHBondContact O-N 3.13Å; S69-D73 PolarHBondContact O-N 2.94Å
70	L	71	Confident	76	Confident	40 Å²	40	74 Å²	74	21%	0.209	37%	0.372	C	S	.	.	H	α-helix	trans	-63.2	-41.4	175.8	-168.7	109.5	0	0	0	111.4	F55 T57 C68 K72 D73 R74	F55-L70 HydrophobicContact CZ-CG 4.45Å; T57-L70 HydrophobicContact CG2-CD2 3.87Å; C68-L70 VanDerWaalsContact C-N 3.35Å; C68-L70 PolarHBondContact O-N 3.07Å; L70-K72 VanDerWaalsContact C-N 3.28Å; L70-K72 PolarHBondContact O-N 2.96Å; L70-D73 PolarHBondContact O-N 3.39Å; L70-R74 WeakPolarHBondContact O-CB 3.43Å; L70-R74 PolarHBondContact O-N 3.39Å
71	D	79.7	Confident	77	Confident	61 Å²	61	71 Å²	71	33%	0.326	36%	0.356	S	S	.	.	H	α-helix	trans	-63.9	-36.7	176.3	-67.2	-40.8	0	0	0	111.4	C68 R74 Q75	C68-D71 PolarHBondContact O-N 3.5Å; C68-D71 WeakPolarHBondContact SG-CB 3.49Å; C68-D71 PolarHBondContact SG-OD2 3.12Å; D71-R74 PolarHBondContact O-N 2.85Å; D71-Q75 WeakPolarHBondContact O-CB 3.32Å; D71-Q75 WeakPolarHBondContact O-CG 3.3Å; D71-Q75 PolarHBondContact O-N 2.85Å
72	K	86.2	Confident	78.4	Confident	114 Å²	114	74.8 Å²	74.8	50%	0.496	38%	0.375	S	S	.	.	H	α-helix	trans	-67	-41.8	175.3	-164.2	-176.9	176.9	172.1	0	111.9	C68 S69 L70 R74 Q75 D76	C68-K72 PolarHBondContact O-N 3.26Å; C68-K72 VanDerWaalsContact O-N 3.12Å; S69-K72 PolarHBondContact O-N 3.13Å; L70-K72 VanDerWaalsContact C-N 3.28Å; L70-K72 PolarHBondContact O-N 2.96Å; K72-R74 VanDerWaalsContact C-N 3.33Å; K72-Q75 PolarHBondContact O-N 2.95Å; K72-D76 WeakPolarHBondContact O-CB 3.42Å; K72-D76 VanDerWaalsContact O-CG 3.3Å; K72-D76 PolarHBondContact O-N 2.64Å
73	D	89.1	Confident	80.2	Confident	33 Å²	33	73.2 Å²	73.2	18%	0.176	36%	0.359	C	S	.	.	H	α-helix	trans	-64.2	-40.7	176.4	-72.7	0.3	0	0	0	111.1	F55 S69 L70 D76 A77 R234	F55-D73 HydrophobicContact CE2-CB 4.13Å; F55-D73 HydrophobicContact CZ-CB 4.33Å; S69-D73 PolarHBondContact O-N 2.94Å; L70-D73 PolarHBondContact O-N 3.39Å; D73-D76 PolarHBondContact O-N 2.93Å; D73-A77 WeakPolarHBondContact O-CB 3.34Å; D73-A77 PolarHBondContact O-N 2.89Å; D73-R234 IonicContact OD1-CZ 2.81Å; D73-R234 IonicContact OD1-NH1 3.12Å; D73-R234 PolarHBondContact OD1-NH1 3.35Å; D73-R234 IonicContact OD1-NH2 2.86Å; D73-R234 PolarHBondContact OD1-NH2 3.42Å
74	R	91.8	Very high	82.3	Confident	104 Å²	104	67 Å²	67	39%	0.392	33%	0.326	S	S	.	.	H	α-helix	trans	-61.5	-47.8	172.7	-178.2	-174.8	166.6	-165.3	2.1	111.8	F55 L70 D71 K72 D76 A77 Q78 F88 E90	F55-R74 HydrophobicContact CD1-CB 4.21Å; F55-R74 HydrophobicContact CD1-CG 4.14Å; F55-R74 HydrophobicContact CE1-CB 3.77Å; F55-R74 HydrophobicContact CE1-CG 4.13Å; F55-R74 HydrophobicContact CE2-CB 4.17Å; F55-R74 HydrophobicContact CZ-CB 3.74Å; L70-R74 WeakPolarHBondContact O-CB 3.43Å; L70-R74 PolarHBondContact O-N 3.39Å; D71-R74 PolarHBondContact O-N 2.85Å; K72-R74 VanDerWaalsContact C-N 3.33Å; R74-D76 VanDerWaalsContact C-N 3.33Å; R74-D76 PolarHBondContact O-N 2.72Å; R74-A77 WeakPolarHBondContact O-CB 3.47Å; R74-A77 PolarHBondContact O-N 3.43Å; R74-Q78 WeakPolarHBondContact O-CB 3.47Å; R74-Q78 PolarHBondContact O-N 3.45Å; R74-F88 HydrophobicContact CG-CZ 4.27Å; R74-E90 IonicContact CZ-OE1 2.93Å; R74-E90 IonicContact CZ-OE2 2.71Å; R74-E90 VanDerWaalsContact NE-CD 3.25Å; R74-E90 IonicContact NE-OE1 2.81Å; R74-E90 PolarHBondContact NE-OE1 2.93Å; R74-E90 IonicContact NE-OE2 3.11Å; R74-E90 PolarHBondContact NE-OE2 2.88Å; R74-E90 IonicContact NH2-OE1 2.81Å; R74-E90 PolarHBondContact NH2-OE1 2.81Å; R74-E90 IonicContact NH2-OE2 2.66Å
75	Q	93.3	Very high	84.2	Confident	110 Å²	110	67.8 Å²	67.8	51%	0.514	35%	0.346	S	S	.	.	H	α-helix	trans	-61.1	-41.5	176.8	-75	167.5	29.4	0	0	111.9	D71 K72 Q78 F79	D71-Q75 WeakPolarHBondContact O-CB 3.32Å; D71-Q75 WeakPolarHBondContact O-CG 3.3Å; D71-Q75 PolarHBondContact O-N 2.85Å; K72-Q75 PolarHBondContact O-N 2.95Å; Q75-Q78 PolarHBondContact O-N 2.93Å; Q75-F79 VanDerWaalsContact O-CB 3.31Å; Q75-F79 WeakPolarHBondContact O-CB 3.37Å; Q75-F79 PolarHBondContact O-N 2.98Å
76	D	94.2	Very high	86.4	Confident	4 Å²	4	58.5 Å²	58.5	2%	0.021	31%	0.306	C	S	.	.	H	α-helix	trans	-68.3	-35.7	176.9	-73.9	-27.1	0	0	0	111.2	K72 D73 R74 F79 V80 R230 I231 R234	K72-D76 WeakPolarHBondContact O-CB 3.42Å; K72-D76 VanDerWaalsContact O-CG 3.3Å; K72-D76 PolarHBondContact O-N 2.64Å; D73-D76 PolarHBondContact O-N 2.93Å; R74-D76 VanDerWaalsContact C-N 3.33Å; R74-D76 PolarHBondContact O-N 2.72Å; D76-F79 PolarHBondContact O-N 3.33Å; D76-V80 VanDerWaalsContact O-CG2 3.3Å; D76-V80 WeakPolarHBondContact O-CG2 3.46Å; D76-V80 PolarHBondContact O-N 3.33Å; D76-R230 IonicContact OD1-CZ 2.64Å; D76-R230 IonicContact OD1-NE 2.72Å; D76-R230 PolarHBondContact OD1-NE 2.84Å; D76-R230 VanDerWaalsContact OD1-NE 3.14Å; D76-R230 IonicContact OD1-NH2 3.32Å; D76-R230 PolarHBondContact OD1-NH2 3.44Å; D76-I231 HydrophobicContact CB-CD1 3.7Å; D76-R234 IonicContact OD2-CZ 3.04Å; D76-R234 IonicContact OD2-NE 2.68Å; D76-R234 PolarHBondContact OD2-NE 3.23Å; D76-R234 IonicContact OD2-NH2 2.7Å; D76-R234 PolarHBondContact OD2-NH2 2.93Å
77	A	95.5	Very high	88.5	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-67.2	-43.3	173.7	0	0	0	0	0	112.7	I31 F55 D73 R74 V80 C81 F88	I31-A77 HydrophobicContact CB-CB 4.39Å; I31-A77 HydrophobicContact CG2-CB 3.76Å; F55-A77 HydrophobicContact CB-CB 4.5Å; F55-A77 HydrophobicContact CD2-CB 3.63Å; F55-A77 HydrophobicContact CE2-CB 4.31Å; F55-A77 HydrophobicContact CG-CB 4.42Å; D73-A77 WeakPolarHBondContact O-CB 3.34Å; D73-A77 PolarHBondContact O-N 2.89Å; R74-A77 WeakPolarHBondContact O-CB 3.47Å; R74-A77 PolarHBondContact O-N 3.43Å; A77-V80 PolarHBondContact O-N 3.44Å; A77-C81 PolarHBondContact O-N 2.88Å; A77-C81 VanDerWaalsContact O-N 3.09Å; A77-C81 PolarHBondContact O-SG 3.15Å; A77-F88 HydrophobicContact CB-CE2 3.87Å
78	Q	96.7	Very high	90.6	Very high	62 Å²	62	52.8 Å²	52.8	29%	0.29	28%	0.278	S	S	.	.	H	α-helix	trans	-60.4	-48	172.8	179.8	68.1	72.3	0	0	110.5	R74 Q75 V80 C81 D82 F88	R74-Q78 WeakPolarHBondContact O-CB 3.47Å; R74-Q78 PolarHBondContact O-N 3.45Å; Q75-Q78 PolarHBondContact O-N 2.93Å; Q78-V80 VanDerWaalsContact C-N 3.3Å; Q78-V80 PolarHBondContact O-N 3.36Å; Q78-C81 WeakPolarHBondContact O-CB 3.29Å; Q78-C81 PolarHBondContact O-N 3.38Å; Q78-D82 PolarHBondContact NE2-OD1 3.25Å; Q78-D82 VanDerWaalsContact O-CG 3.28Å; Q78-D82 PolarHBondContact O-N 3.11Å; Q78-F88 HydrophobicContact CB-CE1 4.41Å; Q78-F88 HydrophobicContact CB-CE2 4.43Å; Q78-F88 HydrophobicContact CB-CZ 4.34Å
79	F	96.6	Very high	92.2	Very high	59 Å²	59	52.1 Å²	52.1	26%	0.259	27%	0.269	S	S	.	.	H	α-helix	trans	-55.1	-44.1	176.7	167.4	-98.5	0	0	0	112.3	Q75 D76 C81 D82 Y83 L228 R230 I231	Q75-F79 VanDerWaalsContact O-CB 3.31Å; Q75-F79 WeakPolarHBondContact O-CB 3.37Å; Q75-F79 PolarHBondContact O-N 2.98Å; D76-F79 PolarHBondContact O-N 3.33Å; F79-C81 VanDerWaalsContact C-N 3.33Å; F79-C81 PolarHBondContact O-N 3.28Å; F79-D82 PolarHBondContact O-N 3.47Å; F79-Y83 HydrophobicContact CZ-CD2 4.37Å; F79-Y83 WeakPolarHBondContact O-CB 3.29Å; F79-Y83 PolarHBondContact O-N 3.5Å; F79-L228 HydrophobicContact CE1-CD2 3.84Å; F79-L228 HydrophobicContact CZ-CD2 4.47Å; F79-R230 HydrophobicContact CE1-CB 4.21Å; F79-R230 HydrophobicContact CZ-CB 4.46Å; F79-I231 HydrophobicContact CD1-CD1 4.08Å; F79-I231 HydrophobicContact CD1-CG1 4.06Å; F79-I231 HydrophobicContact CE1-CG1 4.11Å
80	V	97.3	Very high	93.5	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-61.1	-43.7	175.9	166.7	0	0	0	0	111.1	I31 A38 D76 A77 Q78 L84 I231	I31-V80 HydrophobicContact CD1-CG1 4.21Å; I31-V80 HydrophobicContact CG2-CG1 4.37Å; A38-V80 HydrophobicContact CB-CB 4.38Å; A38-V80 HydrophobicContact CB-CG1 3.66Å; A38-V80 HydrophobicContact CB-CG2 3.72Å; D76-V80 VanDerWaalsContact O-CG2 3.3Å; D76-V80 WeakPolarHBondContact O-CG2 3.46Å; D76-V80 PolarHBondContact O-N 3.33Å; A77-V80 PolarHBondContact O-N 3.44Å; Q78-V80 VanDerWaalsContact C-N 3.3Å; Q78-V80 PolarHBondContact O-N 3.36Å; V80-L84 HydrophobicContact CG1-CD1 3.84Å; V80-L84 HydrophobicContact CG1-CG 4.46Å; V80-L84 VanDerWaalsContact O-CB 3.31Å; V80-L84 WeakPolarHBondContact O-CB 3.45Å; V80-L84 VanDerWaalsContact O-CG 3.26Å; V80-L84 WeakPolarHBondContact O-CG 3.47Å; V80-L84 PolarHBondContact O-N 3.46Å; V80-I231 HydrophobicContact CG2-CD1 4.09Å; V80-I231 HydrophobicContact CG2-CG1 3.71Å
81	C	98.2	Very high	94.5	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-64.5	-45.3	179.6	-66.8	0	0	0	0	111.9	A77 Q78 F79 L84 G85 I86 F88	A77-C81 PolarHBondContact O-N 2.88Å; A77-C81 VanDerWaalsContact O-N 3.09Å; A77-C81 PolarHBondContact O-SG 3.15Å; Q78-C81 WeakPolarHBondContact O-CB 3.29Å; Q78-C81 PolarHBondContact O-N 3.38Å; F79-C81 VanDerWaalsContact C-N 3.33Å; F79-C81 PolarHBondContact O-N 3.28Å; C81-L84 CarbonylContact O-C 3.52Å; C81-L84 PolarHBondContact O-N 2.88Å; C81-G85 PolarHBondContact O-N 3.01Å; C81-I86 HydrophobicContact CB-CG1 3.89Å; C81-I86 PolarHBondContact O-N 3.3Å; C81-F88 HydrophobicContact CB-CB 3.9Å; C81-F88 HydrophobicContact CB-CD2 4.23Å
82	D	97.9	Very high	95.1	Very high	102 Å²	102	54.9 Å²	54.9	55%	0.545	27%	0.274	S	S	.	.	H	α-helix	trans	-62.3	-47.1	178	-63.4	-20.2	0	0	0	110.9	Q78 F79 L84 G85	Q78-D82 PolarHBondContact NE2-OD1 3.25Å; Q78-D82 VanDerWaalsContact O-CG 3.28Å; Q78-D82 PolarHBondContact O-N 3.11Å; F79-D82 PolarHBondContact O-N 3.47Å; D82-L84 VanDerWaalsContact C-N 3.3Å; D82-L84 PolarHBondContact O-N 3.27Å; D82-G85 PolarHBondContact O-N 3.09Å
83	Y	97.4	Very high	95.4	Very high	114 Å²	114	50 Å²	50	45%	0.447	25%	0.252	S	S	.	.	H	α-helix	trans	-60	-42	178.1	-173.8	-91.2	0	0	0	112	F79 G85 I226 L228	F79-Y83 HydrophobicContact CZ-CD2 4.37Å; F79-Y83 WeakPolarHBondContact O-CB 3.29Å; F79-Y83 PolarHBondContact O-N 3.5Å; Y83-G85 PolarHBondContact O-N 3.03Å; Y83-I226 WeakPolarHBondContact CE1-O 3.21Å; Y83-I226 PolarHBondContact OH-O 3.45Å; Y83-L228 HydrophobicContact CD1-CD2 3.41Å; Y83-L228 VanDerWaalsContact CD1-CD2 3.41Å; Y83-L228 HydrophobicContact CD1-CG 3.93Å; Y83-L228 HydrophobicContact CD2-CD2 4.37Å; Y83-L228 HydrophobicContact CE1-CD2 3.93Å; Y83-L228 HydrophobicContact CE1-CG 4.06Å; Y83-L228 HydrophobicContact CG-CD2 3.66Å
84	L	97.8	Very high	95.6	Very high	9 Å²	9	49.9 Å²	49.9	5%	0.047	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-2.2	176.6	-65.1	178.1	0	0	0	112.6	A41 Y42 K45 V80 C81 D82 I86	A41-L84 HydrophobicContact CB-CD1 3.8Å; Y42-L84 HydrophobicContact CD2-CD2 4.08Å; K45-L84 VanDerWaalsContact CD-O 3.29Å; K45-L84 WeakPolarHBondContact CD-O 2.97Å; K45-L84 WeakPolarHBondContact CE-O 3.04Å; K45-L84 PolarHBondContact NZ-O 3.49Å; V80-L84 HydrophobicContact CG1-CD1 3.84Å; V80-L84 HydrophobicContact CG1-CG 4.46Å; V80-L84 VanDerWaalsContact O-CB 3.31Å; V80-L84 WeakPolarHBondContact O-CB 3.45Å; V80-L84 VanDerWaalsContact O-CG 3.26Å; V80-L84 WeakPolarHBondContact O-CG 3.47Å; V80-L84 PolarHBondContact O-N 3.46Å; C81-L84 CarbonylContact O-C 3.52Å; C81-L84 PolarHBondContact O-N 2.88Å; D82-L84 VanDerWaalsContact C-N 3.3Å; D82-L84 PolarHBondContact O-N 3.27Å; L84-I86 VanDerWaalsContact C-N 3.3Å; L84-I86 HydrophobicContact CB-CD1 4.38Å; L84-I86 HydrophobicContact CB-CG1 4.14Å; L84-I86 HydrophobicContact CB-CG2 4.35Å; L84-I86 HydrophobicContact CD1-CD1 4.38Å; L84-I86 PolarHBondContact O-N 3.36Å
85	G	97.9	Very high	95.6	Very high	59 Å²	59	52.4 Å²	52.4	61%	0.608	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	44.7	-176.1	0	0	0	0	0	112.9	C81 D82 Y83	C81-G85 PolarHBondContact O-N 3.01Å; D82-G85 PolarHBondContact O-N 3.09Å; Y83-G85 PolarHBondContact O-N 3.03Å
86	I	97.9	Very high	95.6	Very high	13 Å²	13	49.9 Å²	49.9	7%	0.067	26%	0.255	C	S	.	.			trans	-117.8	147.9	176.1	61.3	173.8	0	0	0	109.9	I31 A41 K45 V51 C81 L84	I31-I86 HydrophobicContact CD1-CD1 4.14Å; A41-I86 HydrophobicContact CB-CD1 4.12Å; K45-I86 HydrophobicContact CD-CG2 4.13Å; V51-I86 HydrophobicContact CB-CD1 4.47Å; V51-I86 HydrophobicContact CB-CG2 4.07Å; V51-I86 HydrophobicContact CG1-CD1 3.92Å; C81-I86 HydrophobicContact CB-CG1 3.89Å; C81-I86 PolarHBondContact O-N 3.3Å; L84-I86 VanDerWaalsContact C-N 3.3Å; L84-I86 HydrophobicContact CB-CD1 4.38Å; L84-I86 HydrophobicContact CB-CG1 4.14Å; L84-I86 HydrophobicContact CB-CG2 4.35Å; L84-I86 HydrophobicContact CD1-CD1 4.38Å; L84-I86 PolarHBondContact O-N 3.36Å
87	P	97.7	Very high	95.5	Very high	68 Å²	68	49.9 Å²	49.9	44%	0.442	25%	0.254	S	S	.	.			trans	-62.4	141.2	177.4	-22.3	34	0	0	0	112	V51 G53 F89	V51-P87 WeakPolarHBondContact O-CD 3.31Å; G53-P87 PolarHBondContact N-O 3.14Å; P87-F89 HydrophobicContact CB-CD2 4.37Å; P87-F89 HydrophobicContact CB-CE2 3.63Å; P87-F89 HydrophobicContact CB-CZ 4.17Å
88	F	97.1	Very high	95.4	Very high	32 Å²	32	54.2 Å²	54.2	14%	0.14	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	133.4	174.7	179.9	-102.7	0	0	0	110.7	F55 R74 A77 Q78 C81 E90	F55-F88 HydrophobicContact CB-CE2 3.59Å; F55-F88 HydrophobicContact CB-CZ 3.55Å; F55-F88 HydrophobicContact CG-CE2 4.49Å; F55-F88 HydrophobicContact CG-CZ 4.23Å; R74-F88 HydrophobicContact CG-CZ 4.27Å; A77-F88 HydrophobicContact CB-CE2 3.87Å; Q78-F88 HydrophobicContact CB-CE1 4.41Å; Q78-F88 HydrophobicContact CB-CE2 4.43Å; Q78-F88 HydrophobicContact CB-CZ 4.34Å; C81-F88 HydrophobicContact CB-CB 3.9Å; C81-F88 HydrophobicContact CB-CD2 4.23Å; F88-E90 HydrophobicContact CD1-CG 4.29Å; F88-E90 HydrophobicContact CE1-CG 3.47Å; F88-E90 VanDerWaalsContact CE1-CG 3.47Å; F88-E90 WeakPolarHBondContact CE1-OE1 3.41Å; F88-E90 HydrophobicContact CZ-CG 3.87Å
89	F	96.4	Very high	95.2	Very high	45 Å²	45	54.2 Å²	54.2	20%	0.197	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	155.4	176.2	-62.2	-87.3	0	0	0	110.4	K52 G53 V54 F55 P87 N151 L152	K52-F89 HydrophobicContact CB-CD2 4.18Å; K52-F89 HydrophobicContact CB-CE2 4.01Å; K52-F89 HydrophobicContact CD-CE2 4.15Å; K52-F89 HydrophobicContact CG-CE2 4.16Å; G53-F89 PolarHBondContact O-N 2.82Å; V54-F89 CarbonylContact C-O 3.42Å; V54-F89 WeakPolarHBondContact CA-O 3.29Å; F55-F89 PolarHBondContact N-O 3.11Å; P87-F89 HydrophobicContact CB-CD2 4.37Å; P87-F89 HydrophobicContact CB-CE2 3.63Å; P87-F89 HydrophobicContact CB-CZ 4.17Å; F89-N151 HydrophobicContact CE1-CB 4.04Å; F89-N151 HydrophobicContact CZ-CB 4.04Å; F89-L152 HydrophobicContact CB-CD1 3.83Å; F89-L152 HydrophobicContact CD1-CB 4.32Å; F89-L152 HydrophobicContact CD1-CD1 4.4Å; F89-L152 HydrophobicContact CD2-CD1 3.7Å; F89-L152 HydrophobicContact CE1-CB 4.45Å; F89-L152 HydrophobicContact CE2-CD1 4.32Å; F89-L152 HydrophobicContact CG-CB 4.48Å; F89-L152 HydrophobicContact CG-CD1 3.74Å
90	E	94.2	Very high	95	Very high	75 Å²	75	53.6 Å²	53.6	35%	0.35	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	143.4	177.1	-62.7	-175.4	-131	0	0	110.4	F55 R74 F88	F55-E90 HydrophobicContact CB-CG 4.48Å; F55-E90 CarbonylContact O-C 3.52Å; F55-E90 WeakPolarHBondContact O-CA 3.21Å; R74-E90 IonicContact CZ-OE1 2.93Å; R74-E90 IonicContact CZ-OE2 2.71Å; R74-E90 VanDerWaalsContact NE-CD 3.25Å; R74-E90 IonicContact NE-OE1 2.81Å; R74-E90 PolarHBondContact NE-OE1 2.93Å; R74-E90 IonicContact NE-OE2 3.11Å; R74-E90 PolarHBondContact NE-OE2 2.88Å; R74-E90 IonicContact NH2-OE1 2.81Å; R74-E90 PolarHBondContact NH2-OE1 2.81Å; R74-E90 IonicContact NH2-OE2 2.66Å; F88-E90 HydrophobicContact CD1-CG 4.29Å; F88-E90 HydrophobicContact CE1-CG 3.47Å; F88-E90 VanDerWaalsContact CE1-CG 3.47Å; F88-E90 WeakPolarHBondContact CE1-OE1 3.41Å; F88-E90 HydrophobicContact CZ-CG 3.87Å
91	K	92.7	Very high	94.8	Very high	48 Å²	48	53.6 Å²	53.6	21%	0.209	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	132.2	169.1	-75.8	-67.7	179.9	179.3	0	109.7	V54 F55 M56 T57 F93 A133 L152	V54-K91 HydrophobicContact CG1-CG 4.25Å; F55-K91 PolarHBondContact O-N 3.12Å; M56-K91 CarbonylContact C-O 3.59Å; M56-K91 VanDerWaalsContact CA-O 3.32Å; M56-K91 WeakPolarHBondContact CA-O 3.5Å; T57-K91 PolarHBondContact N-O 2.78Å; K91-F93 HydrophobicContact CB-CD2 4.45Å; K91-F93 HydrophobicContact CB-CE2 3.81Å; K91-F93 HydrophobicContact CB-CZ 3.86Å; K91-F93 HydrophobicContact CG-CZ 4.31Å; K91-A133 HydrophobicContact CD-CB 4.33Å; K91-L152 HydrophobicContact CD-CD2 4.25Å; K91-L152 HydrophobicContact CG-CD2 4.14Å
92	N	91.8	Very high	94.6	Very high	102 Å²	102	53.7 Å²	53.7	55%	0.545	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	123.5	174.6	-172.8	-46.9	0	0	0	108.5	T57 V94	T57-N92 WeakPolarHBondContact O-CA 3.44Å; N92-V94 WeakPolarHBondContact OD1-CB 3.3Å; N92-V94 VanDerWaalsContact OD1-CG2 3.27Å; N92-V94 WeakPolarHBondContact OD1-CG2 3.45Å; N92-V94 PolarHBondContact OD1-N 3.04Å
93	F	92.6	Very high	94.4	Very high	11 Å²	11	51.8 Å²	51.8	5%	0.048	26%	0.259	C	S	.	.			trans	-126.3	27.7	173.3	-58.9	-56.6	0	0	0	111.1	M56 T57 K91 K95 E96 Y97 V125 L129 L130 A133	M56-F93 HydrophobicContact CB-CD2 4.38Å; M56-F93 HydrophobicContact CG-CD2 4.12Å; M56-F93 HydrophobicContact CG-CE2 3.95Å; M56-F93 HydrophobicContact SD-CD2 4.23Å; M56-F93 HydrophobicContact SD-CE2 4.01Å; T57-F93 PolarHBondContact O-N 3.03Å; K91-F93 HydrophobicContact CB-CD2 4.45Å; K91-F93 HydrophobicContact CB-CE2 3.81Å; K91-F93 HydrophobicContact CB-CZ 3.86Å; K91-F93 HydrophobicContact CG-CZ 4.31Å; F93-K95 VanDerWaalsContact C-N 3.34Å; F93-K95 PolarHBondContact O-N 3.03Å; F93-E96 VanDerWaalsContact CA-OE2 3.26Å; F93-E96 WeakPolarHBondContact CA-OE2 3.43Å; F93-E96 PolarHBondContact O-N 2.79Å; F93-Y97 WeakPolarHBondContact O-CB 3.33Å; F93-Y97 PolarHBondContact O-N 2.71Å; F93-V125 HydrophobicContact CB-CG1 4.08Å; F93-V125 HydrophobicContact CD2-CG1 3.79Å; F93-V125 HydrophobicContact CG-CG1 4.2Å; F93-L129 HydrophobicContact CD1-CB 4.02Å; F93-L129 HydrophobicContact CD1-CD1 4.22Å; F93-L129 HydrophobicContact CE1-CB 3.81Å; F93-L129 HydrophobicContact CE2-CB 4.41Å; F93-L129 HydrophobicContact CG-CB 4.42Å; F93-L129 HydrophobicContact CG-CD1 4.43Å; F93-L129 HydrophobicContact CZ-CB 4.01Å; F93-L130 HydrophobicContact CE2-CB 4.44Å; F93-A133 HydrophobicContact CE1-CB 4.46Å; F93-A133 HydrophobicContact CZ-CB 4.03Å
94	V	91.8	Very high	94.2	Very high	31 Å²	31	46.7 Å²	46.7	19%	0.188	24%	0.24	C	C	.	.	H	α-helix	trans	-58.9	-46.8	-176.8	173.2	0	0	0	0	110.8	T57 D60 N92 E96 Y97 W98	T57-V94 HydrophobicContact CG2-CG2 3.96Å; T57-V94 PolarHBondContact O-N 2.89Å; D60-V94 HydrophobicContact CB-CG1 4.23Å; N92-V94 WeakPolarHBondContact OD1-CB 3.3Å; N92-V94 VanDerWaalsContact OD1-CG2 3.27Å; N92-V94 WeakPolarHBondContact OD1-CG2 3.45Å; N92-V94 PolarHBondContact OD1-N 3.04Å; V94-E96 PolarHBondContact O-N 3.42Å; V94-Y97 PolarHBondContact O-N 2.89Å; V94-W98 WeakPolarHBondContact O-CB 3.48Å; V94-W98 PolarHBondContact O-N 3.17Å
95	K	92.5	Very high	93.9	Very high	156 Å²	156	46.4 Å²	46.4	68%	0.678	24%	0.238	S	C	*	.	H	α-helix	trans	-62.9	-45.3	-179.3	-178	-177.5	177.3	-175.4	0	111.5	F93 W98 N99	F93-K95 VanDerWaalsContact C-N 3.34Å; F93-K95 PolarHBondContact O-N 3.03Å; K95-W98 WeakPolarHBondContact O-CB 3.31Å; K95-W98 PolarHBondContact O-N 3.45Å; K95-N99 PolarHBondContact O-N 2.68Å; K95-N99 VanDerWaalsContact O-N 3.13Å; K95-N99 PolarHBondContact O-ND2 2.7Å; K95-N99 VanDerWaalsContact O-ND2 3.11Å
96	E	93	Very high	93.7	Very high	57 Å²	57	44.5 Å²	44.5	27%	0.266	21%	0.214	S	C	.	.	H	α-helix	trans	-70.4	-41	-179.5	-62.7	86.1	166.7	0	0	111.6	F93 V94 W98 N99 Y100 L129	F93-E96 VanDerWaalsContact CA-OE2 3.26Å; F93-E96 WeakPolarHBondContact CA-OE2 3.43Å; F93-E96 PolarHBondContact O-N 2.79Å; V94-E96 PolarHBondContact O-N 3.42Å; E96-W98 VanDerWaalsContact C-N 3.3Å; E96-W98 PolarHBondContact O-N 2.82Å; E96-N99 PolarHBondContact O-N 3.47Å; E96-Y100 HydrophobicContact CB-CD2 3.99Å; E96-Y100 HydrophobicContact CB-CE2 4.2Å; E96-Y100 HydrophobicContact CG-CE2 4.37Å; E96-Y100 WeakPolarHBondContact O-CB 3.23Å; E96-Y100 WeakPolarHBondContact O-CD2 3.22Å; E96-Y100 PolarHBondContact O-N 3Å; E96-L129 HydrophobicContact CB-CD1 3.32Å; E96-L129 HydrophobicContact CG-CD1 3.7Å; E96-L129 HydrophobicContact CG-CD2 4.07Å
97	Y	93.2	Very high	93.4	Very high	4 Å²	4	48.9 Å²	48.9	2%	0.016	23%	0.233	C	C	.	.	H	α-helix	trans	-58.6	-45.6	174.2	-171.9	-86.2	0	0	0	110.9	N58 W59 F93 V94 N99 V101 F102 C121 V125 F242	N58-Y97 HydrophobicContact CB-CD2 3.74Å; N58-Y97 HydrophobicContact CB-CE2 4.42Å; N58-Y97 HydrophobicContact CB-CG 3.98Å; N58-Y97 WeakPolarHBondContact O-CB 3.49Å; N58-Y97 WeakPolarHBondContact O-CD1 3.42Å; N58-Y97 VanDerWaalsContact O-CG 3.27Å; W59-Y97 AromaticContact CE3-CD1 3.94Å; W59-Y97 HydrophobicContact CE3-CD1 3.94Å; W59-Y97 HydrophobicContact CE3-CE1 4.01Å; W59-Y97 HydrophobicContact CZ3-CD1 4.27Å; W59-Y97 HydrophobicContact CZ3-CE1 4.26Å; F93-Y97 WeakPolarHBondContact O-CB 3.33Å; F93-Y97 PolarHBondContact O-N 2.71Å; V94-Y97 PolarHBondContact O-N 2.89Å; Y97-N99 VanDerWaalsContact C-N 3.35Å; Y97-N99 PolarHBondContact O-N 3.19Å; Y97-V101 HydrophobicContact CD1-CB 4.39Å; Y97-V101 HydrophobicContact CD2-CB 4.16Å; Y97-V101 HydrophobicContact CD2-CG2 4.05Å; Y97-V101 HydrophobicContact CE1-CB 4.21Å; Y97-V101 HydrophobicContact CE1-CG1 4.14Å; Y97-V101 HydrophobicContact CE2-CB 3.97Å; Y97-V101 HydrophobicContact CE2-CG1 3.83Å; Y97-V101 HydrophobicContact CE2-CG2 4.06Å; Y97-V101 HydrophobicContact CG-CB 4.34Å; Y97-V101 WeakPolarHBondContact O-CA 3.26Å; Y97-V101 VanDerWaalsContact O-CB 3.3Å; Y97-V101 WeakPolarHBondContact O-CB 3.44Å; Y97-V101 PolarHBondContact O-N 2.79Å; Y97-F102 HydrophobicContact CD1-CB 4.49Å; Y97-F102 HydrophobicContact CE1-CB 4.45Å; Y97-F102 PolarHBondContact O-N 3.14Å; Y97-C121 HydrophobicContact CE2-CB 4.08Å; Y97-V125 HydrophobicContact CD2-CG2 4.08Å; Y97-F242 AromaticContact CE1-CD1 3.78Å; Y97-F242 HydrophobicContact CE1-CD1 3.78Å; Y97-F242 HydrophobicContact CE1-CE1 4.24Å; Y97-F242 HydrophobicContact CE1-CG 4.4Å; Y97-F242 AromaticContact CZ-CD1 3.72Å; Y97-F242 WeakPolarHBondContact OH-CD1 3.46Å; Y97-F242 WeakPolarHBondContact OH-CE1 3.49Å
98	W	92.3	Very high	93.2	Very high	92 Å²	92	46 Å²	46	35%	0.348	21%	0.214	S	C	.	.	I	π-helix	trans	-55.2	-51.2	176.1	-175	-88.1	0	0	0	111.4	W59 V94 K95 E96 F102 L103 Y255	W59-W98 AromaticContact CH2-CE3 3.96Å; W59-W98 HydrophobicContact CH2-CE3 3.96Å; W59-W98 AromaticContact CH2-CZ3 3.66Å; W59-W98 HydrophobicContact CH2-CZ3 3.66Å; W59-W98 HydrophobicContact CZ2-CZ3 4.4Å; W59-W98 AromaticContact CZ3-CE3 3.92Å; W59-W98 HydrophobicContact CZ3-CE3 3.92Å; W59-W98 HydrophobicContact CZ3-CZ3 4.12Å; V94-W98 WeakPolarHBondContact O-CB 3.48Å; V94-W98 PolarHBondContact O-N 3.17Å; K95-W98 WeakPolarHBondContact O-CB 3.31Å; K95-W98 PolarHBondContact O-N 3.45Å; E96-W98 VanDerWaalsContact C-N 3.3Å; E96-W98 PolarHBondContact O-N 2.82Å; W98-F102 AromaticContact CD2-CD1 3.92Å; W98-F102 HydrophobicContact CD2-CD1 3.92Å; W98-F102 AromaticContact CE3-CD1 3.6Å; W98-F102 HydrophobicContact CE3-CD1 3.6Å; W98-F102 HydrophobicContact CE3-CE1 4.15Å; W98-F102 HydrophobicContact CE3-CG 4.32Å; W98-F102 AromaticContact CH2-CD1 3.81Å; W98-F102 HydrophobicContact CH2-CD1 3.81Å; W98-F102 AromaticContact CH2-CE1 3.63Å; W98-F102 HydrophobicContact CH2-CE1 3.63Å; W98-F102 HydrophobicContact CZ2-CD1 4.09Å; W98-F102 HydrophobicContact CZ2-CE1 4.2Å; W98-F102 AromaticContact CZ3-CD1 3.55Å; W98-F102 HydrophobicContact CZ3-CD1 3.55Å; W98-F102 AromaticContact CZ3-CE1 3.6Å; W98-F102 HydrophobicContact CZ3-CE1 3.6Å; W98-F102 WeakPolarHBondContact O-CB 3.44Å; W98-F102 PolarHBondContact O-N 2.89Å; W98-L103 WeakPolarHBondContact O-CG 3.14Å; W98-L103 PolarHBondContact O-N 3.01Å; W98-Y255 HydrophobicContact CH2-CD1 4.18Å; W98-Y255 AromaticContact CH2-CE1 3.61Å; W98-Y255 HydrophobicContact CH2-CE1 3.61Å; W98-Y255 HydrophobicContact CZ3-CE1 4.17Å
99	N	92.8	Very high	93	Very high	62 Å²	62	45 Å²	45	33%	0.332	21%	0.21	S	C	.	.	I	π-helix	trans	-72.8	-45.2	-174.6	-68.9	-34.7	0	0	0	113.9	K95 E96 Y97 P104	K95-N99 PolarHBondContact O-N 2.68Å; K95-N99 VanDerWaalsContact O-N 3.13Å; K95-N99 PolarHBondContact O-ND2 2.7Å; K95-N99 VanDerWaalsContact O-ND2 3.11Å; E96-N99 PolarHBondContact O-N 3.47Å; Y97-N99 VanDerWaalsContact C-N 3.35Å; Y97-N99 PolarHBondContact O-N 3.19Å; N99-P104 VanDerWaalsContact O-CD 3.28Å; N99-P104 WeakPolarHBondContact O-CD 3.43Å
100	Y	92.8	Very high	92.6	Very high	46 Å²	46	48.2 Å²	48.2	18%	0.18	23%	0.225	C	C	.	.	I	π-helix	trans	-95.9	-14.9	-170.2	-59.5	-66.4	0	0	0	114.1	E96 F124 D394 I397	E96-Y100 HydrophobicContact CB-CD2 3.99Å; E96-Y100 HydrophobicContact CB-CE2 4.2Å; E96-Y100 HydrophobicContact CG-CE2 4.37Å; E96-Y100 WeakPolarHBondContact O-CB 3.23Å; E96-Y100 WeakPolarHBondContact O-CD2 3.22Å; E96-Y100 PolarHBondContact O-N 3Å; Y100-F124 WeakPolarHBondContact O-CD2 3.42Å; Y100-D394 HydrophobicContact CD1-CB 4.44Å; Y100-I397 HydrophobicContact CD1-CB 4.35Å; Y100-I397 HydrophobicContact CD1-CG2 4.13Å; Y100-I397 HydrophobicContact CD2-CD1 3.86Å; Y100-I397 HydrophobicContact CE1-CB 3.87Å; Y100-I397 HydrophobicContact CE1-CG2 4.13Å; Y100-I397 HydrophobicContact CE2-CB 4.21Å; Y100-I397 HydrophobicContact CE2-CD1 3.52Å; Y100-I397 HydrophobicContact CE2-CG1 4.36Å; Y100-I397 HydrophobicContact CG-CG2 4.42Å
101	V	93.6	Very high	92.2	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.22	C	C	.	.	I	π-helix	trans	-120	-52.7	-179.5	-175.4	0	0	0	0	111	Y97 L105 P117 L120 V125	Y97-V101 HydrophobicContact CD1-CB 4.39Å; Y97-V101 HydrophobicContact CD2-CB 4.16Å; Y97-V101 HydrophobicContact CD2-CG2 4.05Å; Y97-V101 HydrophobicContact CE1-CB 4.21Å; Y97-V101 HydrophobicContact CE1-CG1 4.14Å; Y97-V101 HydrophobicContact CE2-CB 3.97Å; Y97-V101 HydrophobicContact CE2-CG1 3.83Å; Y97-V101 HydrophobicContact CE2-CG2 4.06Å; Y97-V101 HydrophobicContact CG-CB 4.34Å; Y97-V101 WeakPolarHBondContact O-CA 3.26Å; Y97-V101 VanDerWaalsContact O-CB 3.3Å; Y97-V101 WeakPolarHBondContact O-CB 3.44Å; Y97-V101 PolarHBondContact O-N 2.79Å; V101-L105 WeakPolarHBondContact O-CB 3.28Å; V101-L105 PolarHBondContact O-N 3.18Å; V101-P117 HydrophobicContact CG1-CB 3.71Å; V101-P117 WeakPolarHBondContact CG1-O 3.44Å; V101-L120 HydrophobicContact CB-CB 4.43Å; V101-L120 HydrophobicContact CG1-CB 4.16Å; V101-L120 HydrophobicContact CG2-CB 4.03Å; V101-V125 HydrophobicContact CG2-CG2 4.25Å
102	F	93.2	Very high	92	Very high	1 Å²	1	45.3 Å²	45.3	0%	0.004	22%	0.215	C	C	.	.	I	π-helix	trans	-76.1	-47.2	-171.4	-168.1	-110.9	0	0	0	113.5	W59 Y97 W98 L105 I106 F242 F251 Y255	W59-F102 AromaticContact CH2-CD1 3.92Å; W59-F102 HydrophobicContact CH2-CD1 3.92Å; W59-F102 AromaticContact CH2-CD2 3.74Å; W59-F102 HydrophobicContact CH2-CD2 3.74Å; W59-F102 AromaticContact CH2-CE1 3.82Å; W59-F102 HydrophobicContact CH2-CE1 3.82Å; W59-F102 AromaticContact CH2-CE2 3.65Å; W59-F102 HydrophobicContact CH2-CE2 3.65Å; W59-F102 AromaticContact CH2-CG 3.88Å; W59-F102 HydrophobicContact CH2-CG 3.88Å; W59-F102 AromaticContact CH2-CZ 3.68Å; W59-F102 HydrophobicContact CH2-CZ 3.68Å; W59-F102 HydrophobicContact CZ3-CB 4.14Å; W59-F102 HydrophobicContact CZ3-CD1 4.08Å; W59-F102 AromaticContact CZ3-CD2 3.68Å; W59-F102 HydrophobicContact CZ3-CD2 3.68Å; W59-F102 HydrophobicContact CZ3-CE1 4.44Å; W59-F102 HydrophobicContact CZ3-CE2 4.09Å; W59-F102 AromaticContact CZ3-CG 3.69Å; W59-F102 HydrophobicContact CZ3-CG 3.69Å; W59-F102 HydrophobicContact CZ3-CZ 4.44Å; Y97-F102 HydrophobicContact CD1-CB 4.49Å; Y97-F102 HydrophobicContact CE1-CB 4.45Å; Y97-F102 PolarHBondContact O-N 3.14Å; W98-F102 AromaticContact CD2-CD1 3.92Å; W98-F102 HydrophobicContact CD2-CD1 3.92Å; W98-F102 AromaticContact CE3-CD1 3.6Å; W98-F102 HydrophobicContact CE3-CD1 3.6Å; W98-F102 HydrophobicContact CE3-CE1 4.15Å; W98-F102 HydrophobicContact CE3-CG 4.32Å; W98-F102 AromaticContact CH2-CD1 3.81Å; W98-F102 HydrophobicContact CH2-CD1 3.81Å; W98-F102 AromaticContact CH2-CE1 3.63Å; W98-F102 HydrophobicContact CH2-CE1 3.63Å; W98-F102 HydrophobicContact CZ2-CD1 4.09Å; W98-F102 HydrophobicContact CZ2-CE1 4.2Å; W98-F102 AromaticContact CZ3-CD1 3.55Å; W98-F102 HydrophobicContact CZ3-CD1 3.55Å; W98-F102 AromaticContact CZ3-CE1 3.6Å; W98-F102 HydrophobicContact CZ3-CE1 3.6Å; W98-F102 WeakPolarHBondContact O-CB 3.44Å; W98-F102 PolarHBondContact O-N 2.89Å; F102-L105 HydrophobicContact CD2-CD2 3.93Å; F102-L105 HydrophobicContact CE2-CD2 3.96Å; F102-L105 WeakPolarHBondContact O-CA 3.32Å; F102-L105 VanDerWaalsContact O-CB 3.23Å; F102-L105 WeakPolarHBondContact O-CB 3.36Å; F102-L105 PolarHBondContact O-N 3.14Å; F102-L105 VanDerWaalsContact O-N 3.08Å; F102-I106 HydrophobicContact CD1-CG1 4.14Å; F102-I106 HydrophobicContact CE1-CD1 4.02Å; F102-I106 HydrophobicContact CE1-CG1 3.76Å; F102-I106 HydrophobicContact CE2-CD1 4.08Å; F102-I106 HydrophobicContact CE2-CG1 4.39Å; F102-I106 HydrophobicContact CZ-CD1 3.64Å; F102-I106 HydrophobicContact CZ-CG1 3.9Å; F102-I106 WeakPolarHBondContact O-CG1 3.06Å; F102-I106 PolarHBondContact O-N 3.26Å; F102-F242 HydrophobicContact CD2-CD2 4.48Å; F102-F242 HydrophobicContact CD2-CE2 4.13Å; F102-F242 HydrophobicContact CD2-CZ 4.33Å; F102-F242 HydrophobicContact CE2-CD2 4.27Å; F102-F242 AromaticContact CE2-CE2 3.89Å; F102-F242 HydrophobicContact CE2-CE2 3.89Å; F102-F242 HydrophobicContact CE2-CZ 4.46Å; F102-F251 AromaticContact CE2-CE1 3.76Å; F102-F251 HydrophobicContact CE2-CE1 3.76Å; F102-F251 AromaticContact CE2-CZ 3.56Å; F102-F251 HydrophobicContact CE2-CZ 3.56Å; F102-F251 HydrophobicContact CZ-CE1 4.1Å; F102-F251 AromaticContact CZ-CZ 3.74Å; F102-F251 HydrophobicContact CZ-CZ 3.74Å; F102-Y255 AromaticContact CE1-CD1 3.89Å; F102-Y255 HydrophobicContact CE1-CD1 3.89Å; F102-Y255 HydrophobicContact CE1-CD2 4.26Å; F102-Y255 AromaticContact CE1-CE1 3.9Å; F102-Y255 HydrophobicContact CE1-CE1 3.9Å; F102-Y255 HydrophobicContact CE1-CE2 4.23Å; F102-Y255 HydrophobicContact CE1-CG 4.05Å; F102-Y255 HydrophobicContact CZ-CD1 4.16Å; F102-Y255 AromaticContact CZ-CD2 3.67Å; F102-Y255 HydrophobicContact CZ-CD2 3.67Å; F102-Y255 HydrophobicContact CZ-CE1 4.16Å; F102-Y255 AromaticContact CZ-CE2 3.63Å; F102-Y255 HydrophobicContact CZ-CE2 3.63Å; F102-Y255 AromaticContact CZ-CG 3.9Å; F102-Y255 HydrophobicContact CZ-CG 3.9Å; F102-Y255 AromaticContact CZ-CZ 3.85Å
103	L	93	Very high	92.1	Very high	63 Å²	63	40.6 Å²	40.6	33%	0.33	19%	0.19	S	C	.	.	H	α-helix	trans	-59.8	-43.3	176.4	-71.3	-179.6	0	0	0	112.6	W98 L105 I106 K107	W98-L103 WeakPolarHBondContact O-CG 3.14Å; W98-L103 PolarHBondContact O-N 3.01Å; L103-L105 VanDerWaalsContact C-N 3.3Å; L103-L105 PolarHBondContact O-N 3.4Å; L103-I106 PolarHBondContact O-N 2.99Å; L103-K107 WeakPolarHBondContact O-CG 3.49Å; L103-K107 PolarHBondContact O-N 2.98Å
104	P	93.4	Very high	92	Very high	6 Å²	6	41 Å²	41	4%	0.039	19%	0.194	C	C	.	.	H	α-helix	trans	-59.2	-37.7	171.6	-30	38	0	0	0	114.1	N99 S108 L120 V392	N99-P104 VanDerWaalsContact O-CD 3.28Å; N99-P104 WeakPolarHBondContact O-CD 3.43Å; P104-S108 WeakPolarHBondContact O-CB 3.48Å; P104-S108 PolarHBondContact O-N 3.11Å; P104-S108 PolarHBondContact O-OG 2.85Å; P104-L120 HydrophobicContact CB-CD1 4.05Å; P104-V392 VanDerWaalsContact CA-CG1 3.48Å; P104-V392 HydrophobicContact CB-CG1 3.91Å; P104-V392 VanDerWaalsContact O-CG1 3.3Å; P104-V392 WeakPolarHBondContact O-CG1 3.41Å
105	L	92.8	Very high	92	Very high	3 Å²	3	40.1 Å²	40.1	2%	0.016	19%	0.188	C	C	.	.	H	α-helix	trans	-60.3	-51.7	174.6	-179.2	94	0	0	0	110.8	V101 F102 L103 K107 S108 Y109 P115 P117 M240 F242	V101-L105 WeakPolarHBondContact O-CB 3.28Å; V101-L105 PolarHBondContact O-N 3.18Å; F102-L105 HydrophobicContact CD2-CD2 3.93Å; F102-L105 HydrophobicContact CE2-CD2 3.96Å; F102-L105 WeakPolarHBondContact O-CA 3.32Å; F102-L105 VanDerWaalsContact O-CB 3.23Å; F102-L105 WeakPolarHBondContact O-CB 3.36Å; F102-L105 PolarHBondContact O-N 3.14Å; F102-L105 VanDerWaalsContact O-N 3.08Å; L103-L105 VanDerWaalsContact C-N 3.3Å; L103-L105 PolarHBondContact O-N 3.4Å; L105-K107 PolarHBondContact O-N 3.07Å; L105-S108 WeakPolarHBondContact O-CB 3.34Å; L105-S108 PolarHBondContact O-N 2.78Å; L105-Y109 HydrophobicContact CD1-CD2 4.4Å; L105-Y109 HydrophobicContact CD1-CE2 3.71Å; L105-Y109 HydrophobicContact CD2-CD2 4.46Å; L105-Y109 HydrophobicContact CD2-CE2 4.07Å; L105-Y109 HydrophobicContact CG-CD2 3.88Å; L105-Y109 HydrophobicContact CG-CE2 3.61Å; L105-Y109 VanDerWaalsContact O-CD2 3.3Å; L105-Y109 WeakPolarHBondContact O-CD2 3.4Å; L105-Y109 PolarHBondContact O-N 3.09Å; L105-P115 HydrophobicContact CD1-CB 3.8Å; L105-P115 HydrophobicContact CD1-CG 3.35Å; L105-P115 HydrophobicContact CG-CG 3.9Å; L105-P117 HydrophobicContact CD1-CB 3.88Å; L105-P117 HydrophobicContact CD1-CG 3.77Å; L105-M240 HydrophobicContact CD1-SD 4.43Å; L105-F242 HydrophobicContact CD2-CE2 4.12Å; L105-F242 HydrophobicContact CD2-CZ 3.65Å
106	I	92.6	Very high	92	Very high	20 Å²	20	33.1 Å²	33.1	10%	0.103	16%	0.159	C	C	.	.	H	α-helix	trans	-59.4	-49.1	-179.5	-64.6	-52.5	0	0	0	111.3	F102 L103 S108 Y109 E110 I252 Y255 L256	F102-I106 HydrophobicContact CD1-CG1 4.14Å; F102-I106 HydrophobicContact CE1-CD1 4.02Å; F102-I106 HydrophobicContact CE1-CG1 3.76Å; F102-I106 HydrophobicContact CE2-CD1 4.08Å; F102-I106 HydrophobicContact CE2-CG1 4.39Å; F102-I106 HydrophobicContact CZ-CD1 3.64Å; F102-I106 HydrophobicContact CZ-CG1 3.9Å; F102-I106 WeakPolarHBondContact O-CG1 3.06Å; F102-I106 PolarHBondContact O-N 3.26Å; L103-I106 PolarHBondContact O-N 2.99Å; I106-S108 PolarHBondContact O-N 3.17Å; I106-Y109 PolarHBondContact O-N 3.01Å; I106-Y109 VanDerWaalsContact O-N 3.14Å; I106-E110 PolarHBondContact O-N 2.81Å; I106-I252 HydrophobicContact CD1-CD1 3.37Å; I106-Y255 HydrophobicContact CD1-CG 4.25Å; I106-L256 HydrophobicContact CG2-CD1 4.45Å; I106-L256 HydrophobicContact CG2-CD2 3.6Å; I106-L256 HydrophobicContact CG2-CG 3.96Å
107	K	92.4	Very high	92	Very high	105 Å²	105	30.7 Å²	30.7	46%	0.457	15%	0.147	S	C	.	.	H	α-helix	trans	-58.8	-36.1	177.2	-73.6	175	178.7	179.4	0	112.7	L103 L105 Q111 V392	L103-K107 WeakPolarHBondContact O-CG 3.49Å; L103-K107 PolarHBondContact O-N 2.98Å; L105-K107 PolarHBondContact O-N 3.07Å; K107-Q111 WeakPolarHBondContact O-CG 3.46Å; K107-Q111 PolarHBondContact O-N 2.76Å; K107-V392 HydrophobicContact CB-CG1 3.48Å; K107-V392 VanDerWaalsContact CB-CG1 3.48Å; K107-V392 HydrophobicContact CB-CG2 4.21Å; K107-V392 HydrophobicContact CD-CG1 3.92Å; K107-V392 HydrophobicContact CG-CG1 4.35Å
108	S	92.6	Very high	92	Very high	6 Å²	6	32.4 Å²	32.4	4%	0.042	16%	0.157	C	C	.	.	H	α-helix	trans	-68.6	-42.9	176.7	-59.3	0	0	0	0	111.8	P104 L105 I106 E110 Q111 G112 A113	P104-S108 WeakPolarHBondContact O-CB 3.48Å; P104-S108 PolarHBondContact O-N 3.11Å; P104-S108 PolarHBondContact O-OG 2.85Å; L105-S108 WeakPolarHBondContact O-CB 3.34Å; L105-S108 PolarHBondContact O-N 2.78Å; I106-S108 PolarHBondContact O-N 3.17Å; S108-E110 VanDerWaalsContact C-N 3.35Å; S108-Q111 PolarHBondContact O-N 3.38Å; S108-G112 PolarHBondContact O-N 3.2Å; S108-A113 VanDerWaalsContact O-CB 3.31Å; S108-A113 WeakPolarHBondContact O-CB 3.47Å; S108-A113 PolarHBondContact O-N 3.37Å
109	Y	92.3	Very high	92.1	Very high	13 Å²	13	28 Å²	28	5%	0.051	14%	0.141	C	C	.	.	H	α-helix	trans	-64.7	-38	175.8	-81.6	-61.7	0	0	0	112.7	L105 I106 Q111 G112 A113 P115 F248 I252	L105-Y109 HydrophobicContact CD1-CD2 4.4Å; L105-Y109 HydrophobicContact CD1-CE2 3.71Å; L105-Y109 HydrophobicContact CD2-CD2 4.46Å; L105-Y109 HydrophobicContact CD2-CE2 4.07Å; L105-Y109 HydrophobicContact CG-CD2 3.88Å; L105-Y109 HydrophobicContact CG-CE2 3.61Å; L105-Y109 VanDerWaalsContact O-CD2 3.3Å; L105-Y109 WeakPolarHBondContact O-CD2 3.4Å; L105-Y109 PolarHBondContact O-N 3.09Å; I106-Y109 PolarHBondContact O-N 3.01Å; I106-Y109 VanDerWaalsContact O-N 3.14Å; Y109-Q111 PolarHBondContact O-N 3.48Å; Y109-G112 PolarHBondContact O-N 2.85Å; Y109-A113 WeakPolarHBondContact CD1-O 3.41Å; Y109-P115 HydrophobicContact CD1-CG 4.45Å; Y109-P115 HydrophobicContact CD2-CG 3.7Å; Y109-P115 HydrophobicContact CE1-CG 4.21Å; Y109-P115 HydrophobicContact CE2-CG 3.4Å; Y109-P115 HydrophobicContact CG-CG 4.21Å; Y109-F248 HydrophobicContact CD1-CE1 4.49Å; Y109-F248 HydrophobicContact CD1-CZ 4.34Å; Y109-F248 HydrophobicContact CD2-CZ 4.01Å; Y109-F248 AromaticContact CE1-CE1 3.71Å; Y109-F248 HydrophobicContact CE1-CE1 3.71Å; Y109-F248 AromaticContact CE1-CZ 3.67Å; Y109-F248 HydrophobicContact CE1-CZ 3.67Å; Y109-F248 HydrophobicContact CE2-CE1 4.17Å; Y109-F248 AromaticContact CE2-CE2 3.97Å; Y109-F248 HydrophobicContact CE2-CE2 3.97Å; Y109-F248 AromaticContact CE2-CZ 3.28Å; Y109-F248 HydrophobicContact CE2-CZ 3.28Å; Y109-F248 AromaticContact CZ-CE1 3.53Å; Y109-F248 AromaticContact CZ-CZ 3.09Å; Y109-F248 WeakPolarHBondContact OH-CE1 3.36Å; Y109-F248 WeakPolarHBondContact OH-CZ 3.5Å; Y109-I252 HydrophobicContact CD2-CD1 3.78Å; Y109-I252 HydrophobicContact CD2-CG1 4.4Å; Y109-I252 HydrophobicContact CE2-CD1 4.33Å; Y109-I252 HydrophobicContact CG-CD1 4.32Å
110	E	88.2	Confident	92.2	Very high	112 Å²	112	25.6 Å²	25.6	52%	0.523	13%	0.127	S	C	.	.	H	α-helix	trans	-58.2	-33.1	174.6	-171.8	177.7	-163.9	0	0	112.1	I106 S108 G112 L256	I106-E110 PolarHBondContact O-N 2.81Å; S108-E110 VanDerWaalsContact C-N 3.35Å; E110-G112 VanDerWaalsContact C-N 3.26Å; E110-G112 PolarHBondContact O-N 2.92Å; E110-L256 HydrophobicContact CB-CD2 4.06Å; E110-L256 HydrophobicContact CG-CD2 4.46Å
111	Q	87.6	Confident	92.3	Very high	51 Å²	51	23.7 Å²	23.7	24%	0.238	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	3.7	176.2	-64.6	176.3	14.1	0	0	113.5	K107 S108 Y109 A113 C303 T388 L389	K107-Q111 WeakPolarHBondContact O-CG 3.46Å; K107-Q111 PolarHBondContact O-N 2.76Å; S108-Q111 PolarHBondContact O-N 3.38Å; Y109-Q111 PolarHBondContact O-N 3.48Å; Q111-A113 VanDerWaalsContact C-N 3.28Å; Q111-A113 PolarHBondContact O-N 3.4Å; Q111-C303 PolarHBondContact O-SG 3Å; Q111-C303 VanDerWaalsContact O-SG 3.37Å; Q111-T388 PolarHBondContact OE1-OG1 3.39Å; Q111-L389 HydrophobicContact CB-CD2 4.29Å
112	G	88.3	Confident	92.4	Very high	11 Å²	11	23.8 Å²	23.8	11%	0.113	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.4	17.4	-177.4	0	0	0	0	0	114	S108 Y109 E110 M301	S108-G112 PolarHBondContact O-N 3.2Å; Y109-G112 PolarHBondContact O-N 2.85Å; E110-G112 VanDerWaalsContact C-N 3.26Å; E110-G112 PolarHBondContact O-N 2.92Å; G112-M301 VanDerWaalsContact O-CE 3.28Å; G112-M301 WeakPolarHBondContact O-CE 3.33Å
113	A	92	Very high	92.4	Very high	3 Å²	3	24.3 Å²	24.3	3%	0.025	12%	0.123	C	C	.	.			trans	-87.3	165.4	175.1	0	0	0	0	0	111.4	S108 Y109 Q111 P115 L389 P420	S108-A113 VanDerWaalsContact O-CB 3.31Å; S108-A113 WeakPolarHBondContact O-CB 3.47Å; S108-A113 PolarHBondContact O-N 3.37Å; Y109-A113 WeakPolarHBondContact CD1-O 3.41Å; Q111-A113 VanDerWaalsContact C-N 3.28Å; Q111-A113 PolarHBondContact O-N 3.4Å; A113-P115 VanDerWaalsContact O-CD 3.28Å; A113-P115 WeakPolarHBondContact O-CD 3.41Å; A113-L389 HydrophobicContact CB-CD1 3.96Å; A113-L389 HydrophobicContact CB-CD2 3.58Å; A113-L389 HydrophobicContact CB-CG 4.45Å; A113-P420 HydrophobicContact CB-CB 4.4Å
114	T	91.1	Very high	92.5	Very high	19 Å²	19	21.3 Å²	21.3	12%	0.117	11%	0.108	C	C	.	.			trans	-112.5	88.2	175.2	-51.2	0	0	0	0	108.9	T282 P420 G421 Q422	T114-T282 VanDerWaalsContact OG1-CB 3.31Å; T114-T282 WeakPolarHBondContact OG1-CB 3.07Å; T114-T282 PolarHBondContact OG1-OG1 2.87Å; T114-P420 PolarHBondContact N-O 3.22Å; T114-G421 CarbonylContact O-C 3.56Å; T114-Q422 WeakPolarHBondContact O-CG 3.4Å; T114-Q422 PolarHBondContact O-N 2.64Å; T114-Q422 PolarHBondContact O-NE2 2.82Å
115	P	92.2	Very high	92.5	Very high	12 Å²	12	21 Å²	21	8%	0.078	11%	0.106	C	C	.	.			trans	-69.3	163.5	-177.8	30.3	-38.4	0	0	0	113.5	L105 Y109 A113 G421 Q422	L105-P115 HydrophobicContact CD1-CB 3.8Å; L105-P115 HydrophobicContact CD1-CG 3.35Å; L105-P115 HydrophobicContact CG-CG 3.9Å; Y109-P115 HydrophobicContact CD1-CG 4.45Å; Y109-P115 HydrophobicContact CD2-CG 3.7Å; Y109-P115 HydrophobicContact CE1-CG 4.21Å; Y109-P115 HydrophobicContact CE2-CG 3.4Å; Y109-P115 HydrophobicContact CG-CG 4.21Å; A113-P115 VanDerWaalsContact O-CD 3.28Å; A113-P115 WeakPolarHBondContact O-CD 3.41Å; P115-G421 WeakPolarHBondContact CA-O 3.46Å; P115-Q422 PolarHBondContact O-NE2 2.93Å
116	N	91.9	Very high	92.5	Very high	10 Å²	10	23.3 Å²	23.3	5%	0.053	12%	0.115	C	C	.	.			trans	-123.2	97.1	174.1	-175	-30.8	0	0	0	110.3	D118 I119 W195	N116-D118 VanDerWaalsContact C-N 3.31Å; N116-D118 PolarHBondContact O-N 2.97Å; N116-D118 PolarHBondContact OD1-N 3.19Å; N116-I119 HydrophobicContact CB-CG1 4.33Å; N116-I119 PolarHBondContact OD1-N 2.74Å; N116-W195 WeakPolarHBondContact ND2-CZ3 3.31Å; N116-W195 VanDerWaalsContact OD1-CZ3 3.27Å; N116-W195 WeakPolarHBondContact OD1-CZ3 3.13Å
117	P	92.9	Very high	92.6	Very high	5 Å²	5	22.5 Å²	22.5	3%	0.032	11%	0.111	C	C	.	.	H	α-helix	trans	-73.5	-21.6	-175.8	27.4	-32.2	0	0	0	113.5	V101 L105 I119 L120 C121 M240 F242	V101-P117 HydrophobicContact CG1-CB 3.71Å; V101-P117 WeakPolarHBondContact CG1-O 3.44Å; L105-P117 HydrophobicContact CD1-CB 3.88Å; L105-P117 HydrophobicContact CD1-CG 3.77Å; P117-I119 VanDerWaalsContact C-N 3.31Å; P117-I119 PolarHBondContact O-N 2.93Å; P117-L120 PolarHBondContact O-N 3.45Å; P117-C121 WeakPolarHBondContact O-CB 3.33Å; P117-C121 PolarHBondContact O-N 2.85Å; P117-M240 HydrophobicContact CG-CB 4.34Å; P117-M240 HydrophobicContact CG-CG 3.75Å; P117-M240 HydrophobicContact CG-SD 3.53Å; P117-M240 VanDerWaalsContact CG-SD 3.53Å; P117-F242 HydrophobicContact CB-CE1 4.17Å; P117-F242 HydrophobicContact CG-CE1 4.1Å; P117-F242 HydrophobicContact CG-CZ 4.3Å
118	D	93.7	Very high	92.6	Very high	41 Å²	41	17.9 Å²	17.9	22%	0.219	9%	0.091	C	C	.	.	H	α-helix	trans	-69.2	-33.4	-176.6	-69.8	-46.3	0	0	0	111.6	N116 C121 N122 W195	N116-D118 VanDerWaalsContact C-N 3.31Å; N116-D118 PolarHBondContact O-N 2.97Å; N116-D118 PolarHBondContact OD1-N 3.19Å; D118-C121 PolarHBondContact O-N 3Å; D118-N122 PolarHBondContact O-N 2.75Å; D118-N122 PolarHBondContact O-ND2 2.8Å; D118-W195 HydrophobicContact CB-CD2 4.4Å; D118-W195 HydrophobicContact CB-CE3 3.6Å; D118-W195 HydrophobicContact CB-CZ3 3.81Å
119	I	95	Very high	92.6	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-59.2	-49.7	171.2	-63.7	-81.5	0	0	0	110.1	N116 P117 N122 R123 F194 W195 T198 W423	N116-I119 HydrophobicContact CB-CG1 4.33Å; N116-I119 PolarHBondContact OD1-N 2.74Å; P117-I119 VanDerWaalsContact C-N 3.31Å; P117-I119 PolarHBondContact O-N 2.93Å; I119-N122 PolarHBondContact O-N 2.81Å; I119-R123 WeakPolarHBondContact O-CB 3.49Å; I119-R123 PolarHBondContact O-N 2.75Å; I119-F194 HydrophobicContact CD1-CD1 4.45Å; I119-F194 HydrophobicContact CD1-CE1 4.36Å; I119-F194 WeakPolarHBondContact CD1-O 3.27Å; I119-W195 HydrophobicContact CG1-CE3 4.41Å; I119-T198 HydrophobicContact CG2-CG2 3.71Å; I119-T198 WeakPolarHBondContact CG2-OG1 3.47Å; I119-W423 HydrophobicContact CB-CD2 4.46Å; I119-W423 HydrophobicContact CB-CG 4.24Å; I119-W423 HydrophobicContact CD1-CB 4.25Å; I119-W423 HydrophobicContact CG1-CB 4.02Å; I119-W423 HydrophobicContact CG1-CG 3.99Å; I119-W423 HydrophobicContact CG2-CD2 3.71Å; I119-W423 HydrophobicContact CG2-CE3 4.09Å; I119-W423 HydrophobicContact CG2-CG 3.99Å; I119-W423 HydrophobicContact CG2-CZ2 4.25Å
120	L	94.4	Very high	92.7	Very high	10 Å²	10	17.9 Å²	17.9	5%	0.052	9%	0.092	C	C	.	.	H	α-helix	trans	-68.6	-37.7	-179.2	-58.1	-173.2	0	0	0	112.1	V101 P104 P117 N122 R123 F124 I393 W423	V101-L120 HydrophobicContact CB-CB 4.43Å; V101-L120 HydrophobicContact CG1-CB 4.16Å; V101-L120 HydrophobicContact CG2-CB 4.03Å; P104-L120 HydrophobicContact CB-CD1 4.05Å; P117-L120 PolarHBondContact O-N 3.45Å; L120-N122 PolarHBondContact O-N 3.49Å; L120-R123 PolarHBondContact O-N 3.45Å; L120-F124 HydrophobicContact CB-CD2 4.06Å; L120-F124 HydrophobicContact CB-CE2 4.21Å; L120-F124 HydrophobicContact CD2-CD2 4.5Å; L120-F124 HydrophobicContact CD2-CE2 3.85Å; L120-F124 HydrophobicContact CG-CE2 4.45Å; L120-F124 WeakPolarHBondContact O-CB 3.44Å; L120-F124 WeakPolarHBondContact O-CD2 3.46Å; L120-F124 PolarHBondContact O-N 2.86Å; L120-I393 HydrophobicContact CD2-CD1 4.22Å; L120-I393 HydrophobicContact CD2-CG2 4.44Å; L120-W423 HydrophobicContact CD2-CZ2 3.92Å
121	C	94.8	Very high	92.9	Very high	6 Å²	6	12.6 Å²	12.6	4%	0.041	7%	0.067	C	C	.	.	I	π-helix	trans	-59.5	-45.1	174	179.2	0	0	0	0	111.5	Y97 P117 D118 V125 K126	Y97-C121 HydrophobicContact CE2-CB 4.08Å; P117-C121 WeakPolarHBondContact O-CB 3.33Å; P117-C121 PolarHBondContact O-N 2.85Å; D118-C121 PolarHBondContact O-N 3Å; C121-V125 WeakPolarHBondContact O-CA 3.34Å; C121-V125 VanDerWaalsContact O-CB 3.26Å; C121-V125 WeakPolarHBondContact O-CB 3.41Å; C121-V125 PolarHBondContact O-N 2.84Å; C121-K126 PolarHBondContact O-N 2.65Å
122	N	95.5	Very high	93.1	Very high	3 Å²	3	13.6 Å²	13.6	2%	0.016	7%	0.069	C	C	.	.	I	π-helix	trans	-65.5	-46.8	174.7	-73.7	-58.5	0	0	0	111.2	D118 I119 L120 K126 F127 H161 W195	D118-N122 PolarHBondContact O-N 2.75Å; D118-N122 PolarHBondContact O-ND2 2.8Å; I119-N122 PolarHBondContact O-N 2.81Å; L120-N122 PolarHBondContact O-N 3.49Å; N122-K126 WeakPolarHBondContact OD1-CD 3.27Å; N122-K126 PolarHBondContact OD1-NZ 2.73Å; N122-F127 HydrophobicContact CB-CD2 4.08Å; N122-F127 HydrophobicContact CB-CE2 4.32Å; N122-F127 WeakPolarHBondContact O-CB 3.36Å; N122-F127 WeakPolarHBondContact O-CD2 3.38Å; N122-F127 PolarHBondContact O-N 2.72Å; N122-H161 PolarHBondContact OD1-CE1 2.7Å; N122-H161 PolarHBondContact OD1-NE2 2.98Å; N122-W195 WeakPolarHBondContact CB-O 3.42Å; N122-W195 PolarHBondContact ND2-O 2.93Å
123	R	94.4	Very high	93.2	Very high	12 Å²	12	13.8 Å²	13.8	5%	0.045	7%	0.069	C	C	.	.	I	π-helix	trans	-58.6	-52.7	-178.8	-172.5	176.1	179.7	173.4	-4.5	113.1	I119 L120 N128 T198 E398	I119-R123 WeakPolarHBondContact O-CB 3.49Å; I119-R123 PolarHBondContact O-N 2.75Å; L120-R123 PolarHBondContact O-N 3.45Å; R123-N128 VanDerWaalsContact O-CB 3.25Å; R123-N128 WeakPolarHBondContact O-CB 3.45Å; R123-T198 WeakPolarHBondContact CB-OG1 3.37Å; R123-E398 WeakPolarHBondContact CG-OE1 3.23Å; R123-E398 IonicContact CZ-OE2 2.77Å; R123-E398 VanDerWaalsContact NE-CD 3.32Å; R123-E398 IonicContact NE-OE1 3.75Å; R123-E398 PolarHBondContact NE-OE1 3.42Å; R123-E398 VanDerWaalsContact NE-OE1 3.15Å; R123-E398 IonicContact NE-OE2 3.06Å; R123-E398 PolarHBondContact NE-OE2 3.24Å; R123-E398 IonicContact NH2-OE2 3.2Å; R123-E398 PolarHBondContact NH2-OE2 3.31Å
124	F	94	Very high	93.2	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.068	C	C	.	.	I	π-helix	trans	-98.3	-31.2	-168.6	-57.9	-47	0	0	0	113.2	Y100 L120 N128 L129 I393 I397 E398	Y100-F124 WeakPolarHBondContact O-CD2 3.42Å; L120-F124 HydrophobicContact CB-CD2 4.06Å; L120-F124 HydrophobicContact CB-CE2 4.21Å; L120-F124 HydrophobicContact CD2-CD2 4.5Å; L120-F124 HydrophobicContact CD2-CE2 3.85Å; L120-F124 HydrophobicContact CG-CE2 4.45Å; L120-F124 WeakPolarHBondContact O-CB 3.44Å; L120-F124 WeakPolarHBondContact O-CD2 3.46Å; L120-F124 PolarHBondContact O-N 2.86Å; F124-N128 WeakPolarHBondContact O-CB 3.35Å; F124-L129 WeakPolarHBondContact O-CD1 3.49Å; F124-L129 VanDerWaalsContact O-CG 3.24Å; F124-L129 WeakPolarHBondContact O-CG 3.47Å; F124-L129 PolarHBondContact O-N 2.86Å; F124-I393 HydrophobicContact CE2-CG2 3.95Å; F124-I393 HydrophobicContact CZ-CG2 3.7Å; F124-I397 HydrophobicContact CB-CG2 4.47Å; F124-I397 HydrophobicContact CD1-CG2 3.49Å; F124-I397 VanDerWaalsContact CD1-CG2 3.49Å; F124-I397 HydrophobicContact CE1-CG2 3.92Å; F124-I397 HydrophobicContact CG-CG2 4.16Å; F124-E398 HydrophobicContact CD1-CG 4.12Å; F124-E398 HydrophobicContact CE1-CG 3.95Å
125	V	93.3	Very high	93.3	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.062	C	C	.	.	I	π-helix	trans	-99.9	-66.3	-174.6	-170.8	0	0	0	0	111.2	F93 Y97 V101 C121 F127 L129 L130	F93-V125 HydrophobicContact CB-CG1 4.08Å; F93-V125 HydrophobicContact CD2-CG1 3.79Å; F93-V125 HydrophobicContact CG-CG1 4.2Å; Y97-V125 HydrophobicContact CD2-CG2 4.08Å; V101-V125 HydrophobicContact CG2-CG2 4.25Å; C121-V125 WeakPolarHBondContact O-CA 3.34Å; C121-V125 VanDerWaalsContact O-CB 3.26Å; C121-V125 WeakPolarHBondContact O-CB 3.41Å; C121-V125 PolarHBondContact O-N 2.84Å; V125-F127 PolarHBondContact O-N 2.88Å; V125-L129 HydrophobicContact CG2-CD1 4.31Å; V125-L129 PolarHBondContact O-N 2.8Å; V125-L130 PolarHBondContact O-N 2.85Å
126	K	94.1	Very high	93.1	Very high	50 Å²	50	16.9 Å²	16.9	22%	0.217	8%	0.079	C	C	.	.	I	π-helix	trans	-69.5	-35.1	-170.9	-57.6	-167.3	-160.6	156.6	0	113.8	M56 C121 N122 L130 H161	M56-K126 HydrophobicContact CE-CG 4.12Å; C121-K126 PolarHBondContact O-N 2.65Å; N122-K126 WeakPolarHBondContact OD1-CD 3.27Å; N122-K126 PolarHBondContact OD1-NZ 2.73Å; K126-L130 WeakPolarHBondContact O-CB 3.47Å; K126-H161 PolarHBondContact NZ-NE2 3.34Å
127	F	94.6	Very high	92.5	Very high	3 Å²	3	20 Å²	20	1%	0.013	10%	0.102	C	C	.	.	I	π-helix	trans	-113.3	7.3	-176.8	-63.4	-78	0	0	0	113.7	N122 V125 T131 I157 T159 H161 L196 I199 E203 C207 F209	N122-F127 HydrophobicContact CB-CD2 4.08Å; N122-F127 HydrophobicContact CB-CE2 4.32Å; N122-F127 WeakPolarHBondContact O-CB 3.36Å; N122-F127 WeakPolarHBondContact O-CD2 3.38Å; N122-F127 PolarHBondContact O-N 2.72Å; V125-F127 PolarHBondContact O-N 2.88Å; F127-T131 WeakPolarHBondContact O-CG2 3.5Å; F127-I157 HydrophobicContact CD1-CD1 3.98Å; F127-I157 HydrophobicContact CE1-CD1 4.21Å; F127-T159 HydrophobicContact CE1-CG2 4.12Å; F127-T159 HydrophobicContact CZ-CG2 3.92Å; F127-H161 AromaticContact CE2-CE1 3.93Å; F127-H161 AromaticContact CZ-ND1 3.8Å; F127-L196 HydrophobicContact CE2-CD1 4.42Å; F127-L196 HydrophobicContact CE2-CD2 3.75Å; F127-L196 HydrophobicContact CE2-CG 3.86Å; F127-L196 HydrophobicContact CZ-CD2 3.73Å; F127-L196 HydrophobicContact CZ-CG 4.35Å; F127-I199 HydrophobicContact CB-CG2 4.05Å; F127-I199 HydrophobicContact CD2-CG2 3.72Å; F127-I199 HydrophobicContact CE2-CG2 4.39Å; F127-I199 HydrophobicContact CG-CG2 3.91Å; F127-E203 WeakPolarHBondContact O-CG 3.44Å; F127-C207 HydrophobicContact CE1-CB 4.37Å; F127-F209 AromaticContact CE1-CE1 3.81Å; F127-F209 HydrophobicContact CE1-CE1 3.81Å; F127-F209 AromaticContact CE1-CZ 4Å; F127-F209 HydrophobicContact CE1-CZ 4Å; F127-F209 AromaticContact CZ-CE1 3.78Å; F127-F209 HydrophobicContact CZ-CE1 3.78Å; F127-F209 HydrophobicContact CZ-CZ 4.24Å
128	N	92.5	Very high	91.8	Very high	8 Å²	8	22.5 Å²	22.5	4%	0.043	11%	0.112	C	C	.	.	I	π-helix	trans	-124.5	-70.2	170.8	177.4	-46.5	0	0	0	110.2	R123 F124 L130 T131 R132 I397	R123-N128 VanDerWaalsContact O-CB 3.25Å; R123-N128 WeakPolarHBondContact O-CB 3.45Å; F124-N128 WeakPolarHBondContact O-CB 3.35Å; N128-L130 PolarHBondContact O-N 3.21Å; N128-T131 PolarHBondContact O-N 3.4Å; N128-T131 VanDerWaalsContact O-N 3.13Å; N128-T131 PolarHBondContact O-OG1 2.85Å; N128-R132 PolarHBondContact O-N 3.05Å; N128-R132 PolarHBondContact OD1-NH1 3.49Å; N128-I397 PolarHBondContact ND2-O 2.86Å
129	L	92.8	Very high	90.2	Very high	19 Å²	19	22.4 Å²	22.4	10%	0.099	11%	0.112	C	C	.	.	I	π-helix	trans	-59	-46.4	-178.3	-74	164.8	0	0	0	113.5	F93 E96 F124 V125 T131 R132 A133 I397	F93-L129 HydrophobicContact CD1-CB 4.02Å; F93-L129 HydrophobicContact CD1-CD1 4.22Å; F93-L129 HydrophobicContact CE1-CB 3.81Å; F93-L129 HydrophobicContact CE2-CB 4.41Å; F93-L129 HydrophobicContact CG-CB 4.42Å; F93-L129 HydrophobicContact CG-CD1 4.43Å; F93-L129 HydrophobicContact CZ-CB 4.01Å; E96-L129 HydrophobicContact CB-CD1 3.32Å; E96-L129 HydrophobicContact CG-CD1 3.7Å; E96-L129 HydrophobicContact CG-CD2 4.07Å; F124-L129 WeakPolarHBondContact O-CD1 3.49Å; F124-L129 VanDerWaalsContact O-CG 3.24Å; F124-L129 WeakPolarHBondContact O-CG 3.47Å; F124-L129 PolarHBondContact O-N 2.86Å; V125-L129 HydrophobicContact CG2-CD1 4.31Å; V125-L129 PolarHBondContact O-N 2.8Å; L129-T131 VanDerWaalsContact C-N 3.31Å; L129-T131 PolarHBondContact O-N 3.38Å; L129-R132 PolarHBondContact O-N 3.19Å; L129-A133 WeakPolarHBondContact O-CB 3.27Å; L129-A133 PolarHBondContact O-N 2.85Å; L129-I397 HydrophobicContact CD1-CD1 4.06Å; L129-I397 HydrophobicContact CD2-CD1 3.66Å; L129-I397 HydrophobicContact CG-CD1 3.77Å
130	L	93.5	Very high	88	Confident	1 Å²	1	31.1 Å²	31.1	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-59.1	-44.4	176.9	178.8	66	0	0	0	111.1	A30 V54 M56 F93 V125 K126 N128 R132 A133 V134 I157	A30-L130 HydrophobicContact CB-CD2 3.96Å; V54-L130 HydrophobicContact CG1-CD1 3.95Å; M56-L130 HydrophobicContact CE-CD2 4.26Å; M56-L130 HydrophobicContact CG-CD1 4.39Å; M56-L130 HydrophobicContact SD-CB 4.07Å; M56-L130 HydrophobicContact SD-CD1 4.05Å; M56-L130 HydrophobicContact SD-CD2 3.98Å; M56-L130 HydrophobicContact SD-CG 4.25Å; F93-L130 HydrophobicContact CE2-CB 4.44Å; V125-L130 PolarHBondContact O-N 2.85Å; K126-L130 WeakPolarHBondContact O-CB 3.47Å; N128-L130 PolarHBondContact O-N 3.21Å; L130-R132 VanDerWaalsContact C-N 3.34Å; L130-R132 PolarHBondContact O-N 3.03Å; L130-A133 PolarHBondContact O-N 2.89Å; L130-V134 HydrophobicContact CD1-CG1 3.86Å; L130-V134 WeakPolarHBondContact O-CG1 3.4Å; L130-V134 VanDerWaalsContact O-CG2 3.23Å; L130-V134 WeakPolarHBondContact O-CG2 3.48Å; L130-V134 PolarHBondContact O-N 3.45Å; L130-V134 VanDerWaalsContact O-N 3.1Å; L130-I157 HydrophobicContact CD2-CD1 4.46Å
131	T	92.6	Very high	85.5	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-62.5	-42	179.3	71.4	0	0	0	0	111.6	F127 N128 L129 A133 V134 L135 K138 I157 E203	F127-T131 WeakPolarHBondContact O-CG2 3.5Å; N128-T131 PolarHBondContact O-N 3.4Å; N128-T131 VanDerWaalsContact O-N 3.13Å; N128-T131 PolarHBondContact O-OG1 2.85Å; L129-T131 VanDerWaalsContact C-N 3.31Å; L129-T131 PolarHBondContact O-N 3.38Å; T131-A133 VanDerWaalsContact C-N 3.34Å; T131-A133 PolarHBondContact O-N 2.84Å; T131-V134 PolarHBondContact O-N 3Å; T131-L135 WeakPolarHBondContact O-CB 3.43Å; T131-L135 VanDerWaalsContact O-CG 3.24Å; T131-L135 WeakPolarHBondContact O-CG 3.23Å; T131-L135 PolarHBondContact O-N 2.91Å; T131-K138 PolarHBondContact OG1-NZ 3.44Å; T131-K138 VanDerWaalsContact OG1-NZ 3.08Å; T131-I157 HydrophobicContact CG2-CD1 3.6Å; T131-I157 HydrophobicContact CG2-CG1 4.33Å; T131-E203 WeakPolarHBondContact CB-OE2 3.36Å; T131-E203 WeakPolarHBondContact CG2-OE2 3.33Å; T131-E203 PolarHBondContact OG1-OE2 3.43Å
132	R	90.7	Very high	83.1	Confident	72 Å²	72	38.3 Å²	38.3	27%	0.272	21%	0.206	S	C	.	.	H	α-helix	trans	-63.4	-41	176.7	-75.9	-179.6	171.1	151.2	-11.4	111.5	N128 L129 L130 V134 K138 N139 I397 D399	N128-R132 PolarHBondContact O-N 3.05Å; N128-R132 PolarHBondContact OD1-NH1 3.49Å; L129-R132 PolarHBondContact O-N 3.19Å; L130-R132 VanDerWaalsContact C-N 3.34Å; L130-R132 PolarHBondContact O-N 3.03Å; R132-V134 PolarHBondContact O-N 2.84Å; R132-K138 HydrophobicContact CG-CD 4.14Å; R132-N139 PolarHBondContact O-OD1 3.2Å; R132-N139 VanDerWaalsContact O-OD1 3.14Å; R132-I397 PolarHBondContact NH1-O 2.87Å; R132-I397 PolarHBondContact NH2-O 3.1Å; R132-D399 IonicContact CZ-OD2 3.38Å; R132-D399 IonicContact NH2-OD2 3.05Å; R132-D399 PolarHBondContact NH2-OD2 2.77Å
133	A	90.7	Very high	80.6	Confident	15 Å²	15	45.9 Å²	45.9	12%	0.124	25%	0.246	C	C	.	.	H	α-helix	trans	-72.9	-23.2	-177.3	0	0	0	0	0	114.3	K91 F93 L129 L130 T131 N139	K91-A133 HydrophobicContact CD-CB 4.33Å; F93-A133 HydrophobicContact CE1-CB 4.46Å; F93-A133 HydrophobicContact CZ-CB 4.03Å; L129-A133 WeakPolarHBondContact O-CB 3.27Å; L129-A133 PolarHBondContact O-N 2.85Å; L130-A133 PolarHBondContact O-N 2.89Å; T131-A133 VanDerWaalsContact C-N 3.34Å; T131-A133 PolarHBondContact O-N 2.84Å; A133-N139 PolarHBondContact O-ND2 3.06Å; A133-N139 PolarHBondContact O-OD1 3.05Å
134	V	93.2	Very high	78.2	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-121.2	-23.7	-171.5	-48.1	0	0	0	0	114.6	A28 L130 T131 R132 K136 L152 A153 A154 I157	A28-V134 HydrophobicContact CB-CB 3.97Å; A28-V134 HydrophobicContact CB-CG1 4.35Å; A28-V134 HydrophobicContact CB-CG2 3.74Å; L130-V134 HydrophobicContact CD1-CG1 3.86Å; L130-V134 WeakPolarHBondContact O-CG1 3.4Å; L130-V134 VanDerWaalsContact O-CG2 3.23Å; L130-V134 WeakPolarHBondContact O-CG2 3.48Å; L130-V134 PolarHBondContact O-N 3.45Å; L130-V134 VanDerWaalsContact O-N 3.1Å; T131-V134 PolarHBondContact O-N 3Å; R132-V134 PolarHBondContact O-N 2.84Å; V134-K136 PolarHBondContact O-N 2.82Å; V134-L152 HydrophobicContact CB-CG 4.31Å; V134-L152 HydrophobicContact CG1-CD1 4.15Å; V134-L152 HydrophobicContact CG1-CD2 3.81Å; V134-L152 HydrophobicContact CG1-CG 3.83Å; V134-A153 CarbonylContact O-C 3.5Å; V134-A153 VanDerWaalsContact O-CA 3.28Å; V134-A153 WeakPolarHBondContact O-CA 3.34Å; V134-A154 PolarHBondContact O-N 2.79Å; V134-I157 HydrophobicContact CG2-CG2 3.29Å
135	L	91.8	Very high	75.9	Confident	0 Å²	0	58 Å²	58	0%	0	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-76.5	126.8	-176.1	-68.1	179.3	0	0	0	111.6	T131 S137 K138 N139 A154 I157 Y206	T131-L135 WeakPolarHBondContact O-CB 3.43Å; T131-L135 VanDerWaalsContact O-CG 3.24Å; T131-L135 WeakPolarHBondContact O-CG 3.23Å; T131-L135 PolarHBondContact O-N 2.91Å; L135-S137 PolarHBondContact O-N 2.82Å; L135-S137 VanDerWaalsContact O-N 3.16Å; L135-K138 HydrophobicContact CB-CB 4.31Å; L135-K138 HydrophobicContact CB-CG 4.29Å; L135-K138 HydrophobicContact CD1-CD 4.26Å; L135-K138 PolarHBondContact O-N 2.79Å; L135-N139 WeakPolarHBondContact O-CB 3.48Å; L135-N139 PolarHBondContact O-N 2.89Å; L135-A154 WeakPolarHBondContact CA-O 3.22Å; L135-I157 HydrophobicContact CD2-CG2 4.12Å; L135-I157 HydrophobicContact CG-CG2 4.47Å; L135-Y206 HydrophobicContact CD1-CD1 4.14Å; L135-Y206 HydrophobicContact CD1-CD2 4Å; L135-Y206 HydrophobicContact CD1-CG 3.69Å; L135-Y206 HydrophobicContact CD2-CD1 4.42Å; L135-Y206 HydrophobicContact CD2-CG 4.44Å
136	K	88.4	Confident	73.9	Confident	100 Å²	100	63.4 Å²	63.4	44%	0.435	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-34.4	174.9	-70.5	175	-160.8	159.2	0	112.7	S26 V134 K138 A153 A154 D155	S26-K136 WeakPolarHBondContact OG-CE 3.4Å; S26-K136 PolarHBondContact OG-NZ 3.06Å; V134-K136 PolarHBondContact O-N 2.82Å; K136-K138 PolarHBondContact O-N 2.89Å; K136-A153 WeakPolarHBondContact CE-O 3.31Å; K136-A153 HydrophobicContact CG-CB 3.68Å; K136-A154 PolarHBondContact N-O 3.23Å; K136-D155 WeakPolarHBondContact CD-OD1 3.37Å; K136-D155 WeakPolarHBondContact CE-OD1 3.39Å; K136-D155 VanDerWaalsContact NZ-CG 3.26Å; K136-D155 IonicContact NZ-OD1 2.69Å; K136-D155 PolarHBondContact NZ-OD1 3.06Å; K136-D155 IonicContact NZ-OD2 3.64Å; K136-D155 PolarHBondContact NZ-OD2 2.87Å
137	S	80.6	Confident	71.6	Confident	75 Å²	75	68.5 Å²	68.5	52%	0.524	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-18.6	178.8	56.1	0	0	0	0	113.7	L135	L135-S137 PolarHBondContact O-N 2.82Å; L135-S137 VanDerWaalsContact O-N 3.16Å
138	K	76.4	Confident	69.5	Low	57 Å²	57	71.1 Å²	71.1	25%	0.248	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-21	-177.1	-64.6	-171.2	173.2	-174.7	0	113.7	T131 R132 L135 K136 Q140 E203	T131-K138 PolarHBondContact OG1-NZ 3.44Å; T131-K138 VanDerWaalsContact OG1-NZ 3.08Å; R132-K138 HydrophobicContact CG-CD 4.14Å; L135-K138 HydrophobicContact CB-CB 4.31Å; L135-K138 HydrophobicContact CB-CG 4.29Å; L135-K138 HydrophobicContact CD1-CD 4.26Å; L135-K138 PolarHBondContact O-N 2.79Å; K136-K138 PolarHBondContact O-N 2.89Å; K138-Q140 PolarHBondContact O-N 2.91Å; K138-E203 IonicContact NZ-OE1 3.87Å; K138-E203 PolarHBondContact NZ-OE1 3.29Å; K138-E203 IonicContact NZ-OE2 3.69Å; K138-E203 PolarHBondContact NZ-OE2 3Å
139	N	60.1	Low	68	Low	40 Å²	40	71.4 Å²	71.4	21%	0.214	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	32.3	-173.4	-104	-14.2	0	0	0	115.4	R132 A133 L135	R132-N139 PolarHBondContact O-OD1 3.2Å; R132-N139 VanDerWaalsContact O-OD1 3.14Å; A133-N139 PolarHBondContact O-ND2 3.06Å; A133-N139 PolarHBondContact O-OD1 3.05Å; L135-N139 WeakPolarHBondContact O-CB 3.48Å; L135-N139 PolarHBondContact O-N 2.89Å
140	Q	49.6	Very low	66.7	Low	183 Å²	183	73.9 Å²	73.9	86%	0.855	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-3.8	172.5	-69.7	-173.8	0.6	0	0	113.7	K138	K138-Q140 PolarHBondContact O-N 2.91Å
141	C	41.6	Very low	66	Low	110 Å²	110	78.7 Å²	78.7	74%	0.743	44%	0.444	S	S	*	.			trans	-126.1	13.8	-170.8	-54.7	0	0	0	0	115.6	D143	C141-D143 PolarHBondContact O-N 3.16Å
142	A	45.3	Very low	65.9	Low	57 Å²	57	78.9 Å²	78.9	47%	0.471	45%	0.445	S	S	.	.			trans	-90.2	99.9	176.8	0	0	0	0	0	110.2	D144	A142-D144 PolarHBondContact O-N 3.31Å
143	D	43.1	Very low	66	Low	162 Å²	162	76.1 Å²	76.1	87%	0.866	44%	0.437	S	S	*	.			trans	-71.9	0.9	178.2	-77.3	-37.5	0	0	0	114.5	C141	C141-D143 PolarHBondContact O-N 3.16Å
144	D	42.5	Very low	66.2	Low	138 Å²	138	75.4 Å²	75.4	74%	0.738	43%	0.431	S	S	*	.	S	Bend	trans	-120.7	124.3	-178.4	-74.2	-40.6	0	0	0	112.5	A142	A142-D144 PolarHBondContact O-N 3.31Å
145	D	47.2	Very low	66.3	Low	129 Å²	129	77 Å²	77	69%	0.69	44%	0.44	S	S	*	.			trans	57.1	79.9	176.7	-78.4	-26.2	0	0	0	117.1	Q147 A148 S149	D145-Q147 PolarHBondContact O-N 2.96Å; D145-A148 HydrophobicContact CB-CB 4.46Å; D145-A148 PolarHBondContact O-N 2.72Å; D145-S149 WeakPolarHBondContact O-CB 3.2Å; D145-S149 PolarHBondContact O-N 3.34Å
146	S	51.4	Low	66.5	Low	112 Å²	112	77 Å²	77	78%	0.783	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-18.1	-178.4	58.6	0	0	0	0	115.7
147	Q	45.7	Very low	66.9	Low	157 Å²	157	72.3 Å²	72.3	73%	0.734	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	-37.1	-178.1	-147.1	166.2	5.6	0	0	113.9	D145 S150	D145-Q147 PolarHBondContact O-N 2.96Å; Q147-S150 PolarHBondContact O-OG 3.32Å
148	A	50.9	Low	67.8	Low	58 Å²	58	68.7 Å²	68.7	48%	0.479	40%	0.395	S	S	.	.	H	α-helix	trans	-71.7	-38.1	174.9	0	0	0	0	0	111.5	D145 S150 L152	D145-A148 HydrophobicContact CB-CB 4.46Å; D145-A148 PolarHBondContact O-N 2.72Å; A148-S150 PolarHBondContact O-N 3.11Å; A148-L152 PolarHBondContact O-N 2.99Å
149	S	59.9	Low	68.8	Low	15 Å²	15	66.2 Å²	66.2	11%	0.105	38%	0.384	C	S	.	.	H	α-helix	trans	-68.8	-31.8	179.6	-72.9	0	0	0	0	113.3	D145 L152 A153	D145-S149 WeakPolarHBondContact O-CB 3.2Å; D145-S149 PolarHBondContact O-N 3.34Å; S149-L152 PolarHBondContact O-N 3.31Å; S149-A153 PolarHBondContact O-N 3.13Å
150	S	65.2	Low	70.6	Confident	70 Å²	70	65 Å²	65	49%	0.49	38%	0.381	S	S	.	.	H	α-helix	trans	-69	-41.9	177.3	66.3	0	0	0	0	112.3	Q147 A148 L152 A153	Q147-S150 PolarHBondContact O-OG 3.32Å; A148-S150 PolarHBondContact O-N 3.11Å; S150-L152 VanDerWaalsContact C-N 3.27Å; S150-L152 PolarHBondContact O-N 2.79Å; S150-A153 WeakPolarHBondContact O-CB 3.5Å; S150-A153 PolarHBondContact O-N 2.98Å
151	N	79.4	Confident	72.9	Confident	103 Å²	103	56.9 Å²	56.9	55%	0.551	34%	0.343	S	S	*	.	H	α-helix	trans	-68.1	-24.9	177.4	-78.7	-27.7	0	0	0	113.3	K52 F89	K52-N151 WeakPolarHBondContact CD-O 3.43Å; K52-N151 VanDerWaalsContact CE-O 3.27Å; K52-N151 WeakPolarHBondContact CE-O 3.41Å; K52-N151 PolarHBondContact NZ-O 3.2Å; F89-N151 HydrophobicContact CE1-CB 4.04Å; F89-N151 HydrophobicContact CZ-CB 4.04Å
152	L	89.7	Confident	75.5	Confident	3 Å²	3	51.8 Å²	51.8	2%	0.016	31%	0.308	C	S	.	.	H	α-helix	trans	-81	-23	176.5	-179.2	55.6	0	0	0	113.2	V54 F89 K91 V134 A148 S149 S150 A154	V54-L152 HydrophobicContact CG2-CD1 3.57Å; F89-L152 HydrophobicContact CB-CD1 3.83Å; F89-L152 HydrophobicContact CD1-CB 4.32Å; F89-L152 HydrophobicContact CD1-CD1 4.4Å; F89-L152 HydrophobicContact CD2-CD1 3.7Å; F89-L152 HydrophobicContact CE1-CB 4.45Å; F89-L152 HydrophobicContact CE2-CD1 4.32Å; F89-L152 HydrophobicContact CG-CB 4.48Å; F89-L152 HydrophobicContact CG-CD1 3.74Å; K91-L152 HydrophobicContact CD-CD2 4.25Å; K91-L152 HydrophobicContact CG-CD2 4.14Å; V134-L152 HydrophobicContact CB-CG 4.31Å; V134-L152 HydrophobicContact CG1-CD1 4.15Å; V134-L152 HydrophobicContact CG1-CD2 3.81Å; V134-L152 HydrophobicContact CG1-CG 3.83Å; A148-L152 PolarHBondContact O-N 2.99Å; S149-L152 PolarHBondContact O-N 3.31Å; S150-L152 VanDerWaalsContact C-N 3.27Å; S150-L152 PolarHBondContact O-N 2.79Å; L152-A154 PolarHBondContact O-N 2.93Å
153	A	92.6	Very high	78.1	Confident	14 Å²	14	49 Å²	49	12%	0.116	29%	0.285	C	S	.	.			trans	-57	130.2	-170.9	0	0	0	0	0	113.7	K52 V134 K136 S149 S150	K52-A153 PolarHBondContact NZ-O 2.99Å; V134-A153 CarbonylContact O-C 3.5Å; V134-A153 VanDerWaalsContact O-CA 3.28Å; V134-A153 WeakPolarHBondContact O-CA 3.34Å; K136-A153 WeakPolarHBondContact CE-O 3.31Å; K136-A153 HydrophobicContact CG-CB 3.68Å; S149-A153 PolarHBondContact O-N 3.13Å; S150-A153 WeakPolarHBondContact O-CB 3.5Å; S150-A153 PolarHBondContact O-N 2.98Å
154	A	95.1	Very high	80.7	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-130.8	159.4	-174.2	0	0	0	0	0	112.2	S26 A28 V134 L135 K136 L152 A156	S26-A154 WeakPolarHBondContact OG-CA 3.42Å; A28-A154 HydrophobicContact CB-CB 3.73Å; V134-A154 PolarHBondContact O-N 2.79Å; L135-A154 WeakPolarHBondContact CA-O 3.22Å; K136-A154 PolarHBondContact N-O 3.23Å; L152-A154 PolarHBondContact O-N 2.93Å; A154-A156 WeakPolarHBondContact CB-O 3.37Å
155	D	95	Very high	83.4	Confident	35 Å²	35	37.3 Å²	37.3	19%	0.187	22%	0.221	C	C	.	.	S	Bend	trans	-82.2	-26.4	176.5	-57.8	-47.6	0	0	0	111.9	I24 H25 S26 K136	I24-D155 HydrophobicContact CB-CB 4.4Å; I24-D155 HydrophobicContact CG2-CB 3.92Å; H25-D155 PolarHBondContact N-OD2 2.94Å; S26-D155 PolarHBondContact N-OD2 3.46Å; S26-D155 WeakPolarHBondContact O-CB 3.43Å; S26-D155 PolarHBondContact O-N 3.2Å; S26-D155 PolarHBondContact OG-OD2 3.45Å; K136-D155 WeakPolarHBondContact CD-OD1 3.37Å; K136-D155 WeakPolarHBondContact CE-OD1 3.39Å; K136-D155 VanDerWaalsContact NZ-CG 3.26Å; K136-D155 IonicContact NZ-OD1 2.69Å; K136-D155 PolarHBondContact NZ-OD1 3.06Å; K136-D155 IonicContact NZ-OD2 3.64Å; K136-D155 PolarHBondContact NZ-OD2 2.87Å
156	A	96.7	Very high	85.8	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	164.7	180	0	0	0	0	0	111	I24 S26 V27 A28 A154 L171 Y206 M208	I24-A156 HydrophobicContact CG2-CB 3.96Å; S26-A156 PolarHBondContact O-N 2.88Å; V27-A156 WeakPolarHBondContact CA-O 3.46Å; V27-A156 HydrophobicContact CG2-CB 4.45Å; A28-A156 PolarHBondContact N-O 3.43Å; A154-A156 WeakPolarHBondContact CB-O 3.37Å; A156-L171 HydrophobicContact CB-CD1 4.04Å; A156-Y206 CarbonylContact C-O 3.47Å; A156-Y206 WeakPolarHBondContact CA-O 3.38Å; A156-Y206 WeakPolarHBondContact CB-O 3.39Å; A156-M208 HydrophobicContact CB-CE 4.04Å
157	I	97.4	Very high	87.9	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	156.5	166.9	66.4	160.3	0	0	0	110.8	A28 F127 L130 T131 V134 L135 Y206 C207 M208	A28-I157 HydrophobicContact CB-CG2 4.45Å; A28-I157 CarbonylContact O-C 3.16Å; A28-I157 WeakPolarHBondContact O-CA 3.21Å; F127-I157 HydrophobicContact CD1-CD1 3.98Å; F127-I157 HydrophobicContact CE1-CD1 4.21Å; L130-I157 HydrophobicContact CD2-CD1 4.46Å; T131-I157 HydrophobicContact CG2-CD1 3.6Å; T131-I157 HydrophobicContact CG2-CG1 4.33Å; V134-I157 HydrophobicContact CG2-CG2 3.29Å; L135-I157 HydrophobicContact CD2-CG2 4.12Å; L135-I157 HydrophobicContact CG-CG2 4.47Å; I157-Y206 PolarHBondContact N-O 2.68Å; I157-C207 HydrophobicContact CG1-CB 4.45Å; I157-M208 PolarHBondContact O-N 3.46Å
158	A	98.5	Very high	90.4	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	151.5	170.1	0	0	0	0	0	111.6	V27 A28 C29 A30 L44 M208 P210	V27-A158 HydrophobicContact CG1-CB 3.72Å; A28-A158 PolarHBondContact O-N 3.16Å; C29-A158 WeakPolarHBondContact CA-O 3.41Å; C29-A158 HydrophobicContact CB-CB 4.29Å; A30-A158 PolarHBondContact N-O 3.27Å; L44-A158 HydrophobicContact CD1-CB 3.39Å; A158-M208 WeakPolarHBondContact CA-O 3.32Å; A158-M208 HydrophobicContact CB-CB 3.9Å; A158-P210 HydrophobicContact CB-CG 4.42Å
159	T	98.1	Very high	92.6	Very high	4 Å²	4	19 Å²	19	3%	0.025	12%	0.117	C	C	.	.			trans	-135.6	167	174.8	67.7	0	0	0	0	111.3	A30 S40 F127 H161 M208 F209 P210	A30-T159 HydrophobicContact CB-CG2 4.19Å; S40-T159 PolarHBondContact OG-O 3.34Å; F127-T159 HydrophobicContact CE1-CG2 4.12Å; F127-T159 HydrophobicContact CZ-CG2 3.92Å; T159-H161 WeakPolarHBondContact CB-ND1 3.21Å; T159-H161 PolarHBondContact O-N 2.73Å; T159-H161 PolarHBondContact OG1-N 3.26Å; T159-H161 PolarHBondContact OG1-ND1 3.32Å; T159-M208 PolarHBondContact N-O 3.5Å; T159-F209 WeakPolarHBondContact OG1-CD1 3.37Å; T159-P210 WeakPolarHBondContact O-CD 3.36Å
160	G	97.1	Very high	94.4	Very high	14 Å²	14	19.7 Å²	19.7	14%	0.144	12%	0.117	C	C	.	.			trans	-84	22.9	171.1	0	0	0	0	0	114.1	D36	D36-G160 WeakPolarHBondContact CB-O 3.24Å
161	H	97.8	Very high	95.9	Very high	13 Å²	13	16.7 Å²	16.7	6%	0.06	10%	0.096	C	C	.	.			trans	-77.3	138.4	-178.2	-69.9	100.6	0	0	0	112.2	N122 K126 F127 T159 C163 Q192 L196 F209	N122-H161 PolarHBondContact OD1-CE1 2.7Å; N122-H161 PolarHBondContact OD1-NE2 2.98Å; K126-H161 PolarHBondContact NZ-NE2 3.34Å; F127-H161 AromaticContact CE2-CE1 3.93Å; F127-H161 AromaticContact CZ-ND1 3.8Å; T159-H161 WeakPolarHBondContact CB-ND1 3.21Å; T159-H161 PolarHBondContact O-N 2.73Å; T159-H161 PolarHBondContact OG1-N 3.26Å; T159-H161 PolarHBondContact OG1-ND1 3.32Å; H161-C163 VanDerWaalsContact C-N 3.33Å; H161-C163 PolarHBondContact O-N 3.36Å; H161-C163 VanDerWaalsContact O-N 3.09Å; H161-Q192 PolarHBondContact CD2-OE1 2.88Å; H161-L196 HydrophobicContact CB-CD1 4.46Å; H161-F209 HydrophobicContact CB-CD1 4.21Å; H161-F209 HydrophobicContact CB-CE1 4.47Å
162	Y	97.8	Very high	96.7	Very high	3 Å²	3	16.5 Å²	16.5	1%	0.012	9%	0.091	C	C	.	.	S	Bend	trans	-80.2	83	170.1	-70.3	-95.9	0	0	0	109	D36 S185 D187 K190 Q192 V211 K216 V219	D36-Y162 HydrophobicContact CB-CE2 4.25Å; D36-Y162 WeakPolarHBondContact OD1-CE2 3.38Å; D36-Y162 PolarHBondContact OD1-OH 2.86Å; Y162-S185 WeakPolarHBondContact O-CB 3.48Å; Y162-D187 HydrophobicContact CD1-CB 4.18Å; Y162-K190 VanDerWaalsContact CB-O 3.28Å; Y162-K190 WeakPolarHBondContact CB-O 3.28Å; Y162-K190 HydrophobicContact CD1-CB 3.83Å; Y162-K190 HydrophobicContact CD2-CB 4.09Å; Y162-K190 HydrophobicContact CE1-CB 4.25Å; Y162-K190 HydrophobicContact CE2-CB 4.49Å; Y162-K190 HydrophobicContact CG-CB 3.76Å; Y162-Q192 PolarHBondContact O-N 3.28Å; Y162-V211 HydrophobicContact CE2-CG2 4.49Å; Y162-K216 HydrophobicContact CE2-CD 4.35Å; Y162-K216 WeakPolarHBondContact OH-CD 3.38Å; Y162-V219 HydrophobicContact CE1-CG2 4.27Å; Y162-V219 WeakPolarHBondContact OH-CG2 3.43Å
163	C	98.4	Very high	96.9	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	169.5	169.8	55.8	0	0	0	0	108.2	H161 L182 T193 F209 G212	H161-C163 VanDerWaalsContact C-N 3.33Å; H161-C163 PolarHBondContact O-N 3.36Å; H161-C163 VanDerWaalsContact O-N 3.09Å; C163-L182 HydrophobicContact CB-CD1 3.86Å; C163-T193 HydrophobicContact CB-CG2 3.73Å; C163-F209 WeakPolarHBondContact O-CB 3.49Å; C163-F209 WeakPolarHBondContact SG-CD1 3.23Å; C163-F209 VanDerWaalsContact SG-CE1 3.58Å; C163-F209 WeakPolarHBondContact SG-CG 3.49Å; C163-G212 WeakPolarHBondContact O-CA 3.43Å
164	Q	98.6	Very high	97	Very high	50 Å²	50	24.9 Å²	24.9	23%	0.234	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	154.9	-179.1	-69.3	-176.2	91.5	0	0	110.5	N169 L183 R184 G212	Q164-N169 WeakPolarHBondContact CA-OD1 3.14Å; Q164-L183 HydrophobicContact CB-CB 3.74Å; Q164-L183 PolarHBondContact N-O 2.84Å; Q164-L183 PolarHBondContact O-N 2.81Å; Q164-R184 PolarHBondContact NE2-O 2.92Å; Q164-G212 WeakPolarHBondContact CG-O 3.45Å
165	N	98	Very high	96.7	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.021	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	134.6	174.3	-169.6	-35.8	0	0	0	108.5	F167 G168 L171 L204 C207 F209	N165-F167 PolarHBondContact O-N 3.43Å; N165-F167 VanDerWaalsContact O-N 3.14Å; N165-F167 PolarHBondContact OD1-N 2.9Å; N165-G168 VanDerWaalsContact O-CA 3.32Å; N165-G168 WeakPolarHBondContact O-CA 3.3Å; N165-G168 PolarHBondContact O-N 3.31Å; N165-L171 WeakPolarHBondContact ND2-CD2 3.28Å; N165-L204 PolarHBondContact ND2-O 3.49Å; N165-C207 PolarHBondContact ND2-O 3.18Å; N165-F209 HydrophobicContact CB-CD2 4.02Å; N165-F209 HydrophobicContact CB-CE2 4.25Å
166	S	97.6	Very high	96.3	Very high	43 Å²	43	32.6 Å²	32.6	30%	0.301	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-19	177.1	68.9	0	0	0	0	113.7	G168 R181	S166-G168 PolarHBondContact O-N 2.71Å; S166-R181 PolarHBondContact N-O 3.03Å; S166-R181 PolarHBondContact OG-N 3.26Å
167	F	97.2	Very high	95.8	Very high	10 Å²	10	41 Å²	41	4%	0.044	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	7.7	169.3	-69.8	-8.1	0	0	0	113.5	N165 L171 Q172 Y173 R174 K175 V178 A180 P205	N165-F167 PolarHBondContact O-N 3.43Å; N165-F167 VanDerWaalsContact O-N 3.14Å; N165-F167 PolarHBondContact OD1-N 2.9Å; F167-L171 HydrophobicContact CB-CD2 3.99Å; F167-L171 CarbonylContact O-C 3.54Å; F167-L171 VanDerWaalsContact O-CA 3.23Å; F167-L171 WeakPolarHBondContact O-CA 3.47Å; F167-Q172 PolarHBondContact O-N 2.87Å; F167-Q172 VanDerWaalsContact O-N 3.12Å; F167-Y173 WeakPolarHBondContact O-CA 3.45Å; F167-Y173 WeakPolarHBondContact O-CB 3.27Å; F167-Y173 PolarHBondContact O-N 3.4Å; F167-R174 HydrophobicContact CB-CB 4.31Å; F167-R174 HydrophobicContact CD2-CB 3.82Å; F167-R174 HydrophobicContact CD2-CG 3.78Å; F167-R174 HydrophobicContact CE2-CB 4.34Å; F167-R174 HydrophobicContact CE2-CG 3.91Å; F167-R174 HydrophobicContact CG-CB 4.23Å; F167-K175 HydrophobicContact CZ-CB 4.45Å; F167-V178 HydrophobicContact CE1-CB 4.3Å; F167-V178 HydrophobicContact CE1-CG1 3.97Å; F167-V178 HydrophobicContact CZ-CB 4.01Å; F167-V178 HydrophobicContact CZ-CG1 4.1Å; F167-V178 VanDerWaalsContact CZ-O 3.27Å; F167-V178 WeakPolarHBondContact CZ-O 3.13Å; F167-A180 HydrophobicContact CD1-CB 4.5Å; F167-A180 HydrophobicContact CD2-CB 3.81Å; F167-A180 HydrophobicContact CE2-CB 3.94Å; F167-A180 HydrophobicContact CG-CB 4.14Å; F167-A180 HydrophobicContact CZ-CB 4.34Å; F167-P205 HydrophobicContact CE2-CB 4.35Å
168	G	97.5	Very high	95.6	Very high	9 Å²	9	44.5 Å²	44.5	9%	0.093	22%	0.222	C	C	.	.			trans	86	152.8	-174.2	0	0	0	0	0	112.5	N165 S166 Y170 L171	N165-G168 VanDerWaalsContact O-CA 3.32Å; N165-G168 WeakPolarHBondContact O-CA 3.3Å; N165-G168 PolarHBondContact O-N 3.31Å; S166-G168 PolarHBondContact O-N 2.71Å; G168-Y170 PolarHBondContact O-N 3.4Å; G168-L171 PolarHBondContact O-N 3.35Å
169	N	97.7	Very high	95.4	Very high	10 Å²	10	46.9 Å²	46.9	5%	0.053	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-14.2	-177.1	-70.2	-9.1	0	0	0	114.2	Q164 M208 F209 D213	Q164-N169 WeakPolarHBondContact CA-OD1 3.14Å; N169-M208 WeakPolarHBondContact O-CA 3.37Å; N169-M208 VanDerWaalsContact O-CB 3.32Å; N169-M208 WeakPolarHBondContact O-CB 3.37Å; N169-F209 VanDerWaalsContact CB-O 3.3Å; N169-F209 WeakPolarHBondContact CB-O 3.37Å; N169-F209 VanDerWaalsContact CG-O 3.24Å; N169-F209 PolarHBondContact ND2-O 3.22Å; N169-F209 PolarHBondContact O-N 3.01Å; N169-F209 VanDerWaalsContact O-N 3.12Å; N169-D213 PolarHBondContact ND2-N 2.94Å; N169-D213 PolarHBondContact ND2-OD1 3.1Å
170	Y	97.7	Very high	95.3	Very high	28 Å²	28	46.7 Å²	46.7	11%	0.11	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.4	20.4	175.2	-53	-84.4	0	0	0	111.9	L44 K47 F49 G168 Q172 M208 P210	L44-Y170 HydrophobicContact CD2-CD1 3.94Å; L44-Y170 HydrophobicContact CD2-CE1 4.17Å; K47-Y170 HydrophobicContact CD-CD1 3.57Å; K47-Y170 HydrophobicContact CD-CD2 3.95Å; K47-Y170 HydrophobicContact CD-CE1 3.57Å; K47-Y170 HydrophobicContact CD-CE2 3.96Å; K47-Y170 HydrophobicContact CD-CG 3.74Å; K47-Y170 VanDerWaalsContact CE-CD2 3.44Å; F49-Y170 HydrophobicContact CE2-CD1 4.03Å; G168-Y170 PolarHBondContact O-N 3.4Å; Y170-Q172 VanDerWaalsContact N-OE1 3.13Å; Y170-Q172 PolarHBondContact O-N 3.24Å; Y170-Q172 VanDerWaalsContact O-N 3.11Å; Y170-M208 WeakPolarHBondContact O-CE 3.37Å; Y170-P210 HydrophobicContact CE1-CB 3.78Å; Y170-P210 HydrophobicContact CE1-CG 4.13Å; Y170-P210 PolarHBondContact OH-O 3.45Å
171	L	96.7	Very high	95.2	Very high	8 Å²	8	50.3 Å²	50.3	4%	0.042	24%	0.241	C	C	.	.	S	Bend	trans	57.2	21.8	179.6	-59.4	172	0	0	0	114.7	I24 A156 N165 F167 G168 Y173 R174 P205 M208	I24-L171 HydrophobicContact CD1-CB 3.71Å; I24-L171 HydrophobicContact CD1-CD1 3.63Å; I24-L171 HydrophobicContact CD1-CG 4.32Å; A156-L171 HydrophobicContact CB-CD1 4.04Å; N165-L171 WeakPolarHBondContact ND2-CD2 3.28Å; F167-L171 HydrophobicContact CB-CD2 3.99Å; F167-L171 CarbonylContact O-C 3.54Å; F167-L171 VanDerWaalsContact O-CA 3.23Å; F167-L171 WeakPolarHBondContact O-CA 3.47Å; G168-L171 PolarHBondContact O-N 3.35Å; L171-Y173 PolarHBondContact O-N 3.12Å; L171-R174 HydrophobicContact CB-CB 4.47Å; L171-R174 VanDerWaalsContact O-CB 3.22Å; L171-R174 WeakPolarHBondContact O-CB 3.28Å; L171-R174 PolarHBondContact O-N 3.21Å; L171-R174 VanDerWaalsContact O-N 3.11Å; L171-P205 WeakPolarHBondContact CD1-O 3.3Å; L171-M208 HydrophobicContact CB-CE 4.2Å; L171-M208 HydrophobicContact CD1-CE 3.93Å; L171-M208 HydrophobicContact CD1-CG 3.88Å; L171-M208 HydrophobicContact CG-CE 4.19Å; L171-M208 HydrophobicContact CG-CG 3.88Å
172	Q	94.8	Very high	95.3	Very high	98 Å²	98	49.7 Å²	49.7	46%	0.458	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-16.2	-175.8	69.8	-87.1	17.5	0	0	114.5	F167 Y170	F167-Q172 PolarHBondContact O-N 2.87Å; F167-Q172 VanDerWaalsContact O-N 3.12Å; Y170-Q172 VanDerWaalsContact N-OE1 3.13Å; Y170-Q172 PolarHBondContact O-N 3.24Å; Y170-Q172 VanDerWaalsContact O-N 3.11Å
173	Y	95.1	Very high	95.3	Very high	147 Å²	147	51.5 Å²	51.5	58%	0.576	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.4	17.9	176.7	-47.9	-53.8	0	0	0	112.1	F167 L171 K175	F167-Y173 WeakPolarHBondContact O-CA 3.45Å; F167-Y173 WeakPolarHBondContact O-CB 3.27Å; F167-Y173 PolarHBondContact O-N 3.4Å; L171-Y173 PolarHBondContact O-N 3.12Å; Y173-K175 PolarHBondContact O-N 3.05Å
174	R	93.5	Very high	95.3	Very high	47 Å²	47	52.3 Å²	52.3	18%	0.177	25%	0.251	C	S	.	.			trans	-56.1	138	176.2	178.6	174.9	176.1	169.7	4.1	110.3	V21 F167 L171 P205	V21-R174 HydrophobicContact CG1-CB 4.17Å; V21-R174 HydrophobicContact CG1-CG 3.83Å; V21-R174 WeakPolarHBondContact CG2-O 3.16Å; F167-R174 HydrophobicContact CB-CB 4.31Å; F167-R174 HydrophobicContact CD2-CB 3.82Å; F167-R174 HydrophobicContact CD2-CG 3.78Å; F167-R174 HydrophobicContact CE2-CB 4.34Å; F167-R174 HydrophobicContact CE2-CG 3.91Å; F167-R174 HydrophobicContact CG-CB 4.23Å; L171-R174 HydrophobicContact CB-CB 4.47Å; L171-R174 VanDerWaalsContact O-CB 3.22Å; L171-R174 WeakPolarHBondContact O-CB 3.28Å; L171-R174 PolarHBondContact O-N 3.21Å; L171-R174 VanDerWaalsContact O-N 3.11Å; R174-P205 PolarHBondContact NH1-O 3.44Å
175	K	90.1	Very high	95.2	Very high	133 Å²	133	49.9 Å²	49.9	58%	0.578	24%	0.24	S	C	*	.			trans	-132	144.8	175.2	-66.3	178.3	-176.6	179	0	109.2	F167 Y173 V178	F167-K175 HydrophobicContact CZ-CB 4.45Å; Y173-K175 PolarHBondContact O-N 3.05Å; K175-V178 HydrophobicContact CB-CB 4.12Å; K175-V178 HydrophobicContact CB-CG2 3.98Å; K175-V178 HydrophobicContact CD-CG2 4.47Å
176	D	85.6	Confident	95.2	Very high	63 Å²	63	53.3 Å²	53.3	34%	0.337	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	149.5	171.6	-60.4	-40.7	0	0	0	110.1	T19 V178	T19-D176 WeakPolarHBondContact CB-OD2 3.39Å; T19-D176 PolarHBondContact OG1-OD2 3.36Å; D176-V178 PolarHBondContact O-N 2.86Å
177	N	86.7	Confident	95.1	Very high	177 Å²	177	51.4 Å²	51.4	95%	0.947	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	57	19	179	-53.2	-41	0	0	0	115.3
178	V	92.6	Very high	95	Very high	74 Å²	74	54.8 Å²	54.8	45%	0.448	26%	0.259	S	S	.	.			trans	-118.3	135.7	170.5	179.4	0	0	0	0	107.4	F167 K175 D176	F167-V178 HydrophobicContact CE1-CB 4.3Å; F167-V178 HydrophobicContact CE1-CG1 3.97Å; F167-V178 HydrophobicContact CZ-CB 4.01Å; F167-V178 HydrophobicContact CZ-CG1 4.1Å; F167-V178 VanDerWaalsContact CZ-O 3.27Å; F167-V178 WeakPolarHBondContact CZ-O 3.13Å; K175-V178 HydrophobicContact CB-CB 4.12Å; K175-V178 HydrophobicContact CB-CG2 3.98Å; K175-V178 HydrophobicContact CD-CG2 4.47Å; D176-V178 PolarHBondContact O-N 2.86Å
179	E	94.1	Very high	94.8	Very high	50 Å²	50	55.3 Å²	55.3	23%	0.234	26%	0.261	C	S	.	.			trans	-80.4	131	174.4	-62.4	-169.9	170	0	0	111	H201 N333 S334	E179-H201 HydrophobicContact CB-CB 4.25Å; E179-H201 VanDerWaalsContact CD-CD2 3.45Å; E179-H201 HydrophobicContact CG-CB 4.37Å; E179-H201 IonicContact OE1-CD2 2.85Å; E179-H201 PolarHBondContact OE1-CD2 2.71Å; E179-H201 IonicContact OE1-CE1 3.39Å; E179-H201 IonicContact OE1-CG 2.83Å; E179-H201 IonicContact OE1-ND1 3.17Å; E179-H201 IonicContact OE1-NE2 3.39Å; E179-H201 PolarHBondContact OE1-NE2 2.7Å; E179-H201 IonicContact OE2-CD2 2.74Å; E179-H201 IonicContact OE2-CG 2.78Å; E179-H201 IonicContact OE2-ND1 2.79Å; E179-N333 VanDerWaalsContact CB-ND2 3.28Å; E179-N333 WeakPolarHBondContact CB-ND2 3.39Å; E179-N333 WeakPolarHBondContact OE2-CA 3.45Å; E179-N333 WeakPolarHBondContact OE2-CB 3.46Å; E179-N333 PolarHBondContact OE2-ND2 2.81Å; E179-S334 VanDerWaalsContact CD-OG 3.3Å; E179-S334 WeakPolarHBondContact OE1-CB 3.45Å; E179-S334 PolarHBondContact OE1-N 2.93Å; E179-S334 PolarHBondContact OE1-OG 3.34Å; E179-S334 PolarHBondContact OE2-N 3.03Å
180	A	95.8	Very high	94.7	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	27%	0.266	C	S	.	.			trans	-66.9	146.3	168.3	0	0	0	0	0	110.2	F167 L204 P205 N333	F167-A180 HydrophobicContact CD1-CB 4.5Å; F167-A180 HydrophobicContact CD2-CB 3.81Å; F167-A180 HydrophobicContact CE2-CB 3.94Å; F167-A180 HydrophobicContact CG-CB 4.14Å; F167-A180 HydrophobicContact CZ-CB 4.34Å; A180-L204 HydrophobicContact CB-CB 3.73Å; A180-P205 HydrophobicContact CB-CG 4.19Å; A180-N333 PolarHBondContact O-ND2 2.94Å
181	R	96.9	Very high	94.6	Very high	89 Å²	89	55.5 Å²	55.5	34%	0.336	26%	0.262	S	S	.	.			trans	-113.4	142.5	176.8	-60.6	-175.9	174.3	-174.2	-6.2	109.4	S166 L183 E335 I431	S166-R181 PolarHBondContact N-O 3.03Å; S166-R181 PolarHBondContact OG-N 3.26Å; R181-L183 HydrophobicContact CB-CD2 4.42Å; R181-E335 IonicContact CZ-OE1 3.85Å; R181-E335 IonicContact NH2-OE1 3.92Å; R181-E335 PolarHBondContact NH2-OE1 2.9Å; R181-E335 IonicContact NH2-OE2 3.15Å; R181-I431 HydrophobicContact CB-CG2 4.33Å
182	L	98.2	Very high	94.6	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	123.7	172.7	-179.2	66.2	0	0	0	109	C163 T193 L196 I199 L204 F209 I332 C432	C163-L182 HydrophobicContact CB-CD1 3.86Å; L182-T193 HydrophobicContact CD1-CG2 4.26Å; L182-T193 HydrophobicContact CD2-CG2 4.09Å; L182-T193 HydrophobicContact CG-CG2 3.89Å; L182-L196 HydrophobicContact CD1-CD2 4.28Å; L182-L196 HydrophobicContact CD2-CB 3.62Å; L182-I199 HydrophobicContact CB-CD1 4.29Å; L182-I199 HydrophobicContact CD1-CD1 3.98Å; L182-I199 HydrophobicContact CD2-CD1 3.86Å; L182-I199 HydrophobicContact CD2-CG1 4.36Å; L182-I199 HydrophobicContact CG-CD1 4.26Å; L182-L204 HydrophobicContact CB-CD1 4.14Å; L182-L204 HydrophobicContact CD1-CD2 4.45Å; L182-F209 HydrophobicContact CD1-CE2 4.33Å; L182-I332 HydrophobicContact CB-CD1 3.63Å; L182-I332 HydrophobicContact CD2-CD1 3.62Å; L182-I332 HydrophobicContact CG-CD1 4.26Å; L182-C432 HydrophobicContact CB-CB 4.18Å; L182-C432 HydrophobicContact CD2-CB 3.86Å; L182-C432 HydrophobicContact CG-CB 4.04Å; L182-C432 PolarHBondContact O-N 3.5Å
183	L	98.4	Very high	94.8	Very high	41 Å²	41	52.9 Å²	52.9	22%	0.215	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	149.5	-177.7	-57.2	-178.9	0	0	0	110.4	Q164 R181 T193 D430 I431	Q164-L183 HydrophobicContact CB-CB 3.74Å; Q164-L183 PolarHBondContact N-O 2.84Å; Q164-L183 PolarHBondContact O-N 2.81Å; R181-L183 HydrophobicContact CB-CD2 4.42Å; L183-T193 WeakPolarHBondContact O-CG2 3.28Å; L183-D430 CarbonylContact C-O 3.12Å; L183-D430 VanDerWaalsContact CA-O 3.23Å; L183-D430 WeakPolarHBondContact CA-O 3.29Å; L183-I431 HydrophobicContact CD2-CB 4.28Å; L183-I431 HydrophobicContact CD2-CG1 3.65Å
184	R	97.9	Very high	94.9	Very high	17 Å²	17	46 Å²	46	6%	0.064	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	150.5	176	-63.8	-172.3	71.4	-178.7	8	111.5	Q164 R188 D191 T193 Y427 D430	Q164-R184 PolarHBondContact NE2-O 2.92Å; R184-R188 VanDerWaalsContact CD-NH1 3.29Å; R184-D191 VanDerWaalsContact CA-OD1 3.31Å; R184-D191 WeakPolarHBondContact CA-OD1 3.22Å; R184-D191 IonicContact CZ-OD2 2.75Å; R184-D191 IonicContact NE-OD2 2.74Å; R184-D191 PolarHBondContact NE-OD2 2.96Å; R184-D191 IonicContact NH2-OD2 3.19Å; R184-D191 PolarHBondContact NH2-OD2 2.86Å; R184-T193 HydrophobicContact CB-CG2 4.47Å; R184-T193 HydrophobicContact CG-CG2 4.19Å; R184-Y427 HydrophobicContact CG-CD1 4.05Å; R184-Y427 HydrophobicContact CG-CE1 3.9Å; R184-D430 WeakPolarHBondContact CG-O 3.28Å; R184-D430 PolarHBondContact N-O 3.35Å
185	S	97.5	Very high	95	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.222	C	C	.	.			trans	-68	154	175.5	-173.6	0	0	0	0	112.1	Y162 D187 R188 D191 G212	Y162-S185 WeakPolarHBondContact O-CB 3.48Å; S185-D187 PolarHBondContact O-N 2.91Å; S185-D187 PolarHBondContact OG-N 2.88Å; S185-D187 VanDerWaalsContact OG-N 3.15Å; S185-R188 WeakPolarHBondContact O-CD 2.88Å; S185-R188 PolarHBondContact O-NE 2.91Å; S185-R188 VanDerWaalsContact O-NE 3.17Å; S185-D191 PolarHBondContact N-OD1 3.47Å; S185-G212 WeakPolarHBondContact CA-O 3.36Å; S185-G212 PolarHBondContact OG-O 3Å
186	V	96.9	Very high	95.4	Very high	75 Å²	75	39.5 Å²	39.5	46%	0.455	19%	0.194	S	C	.	.	S	Bend	trans	-58.3	-38.3	165	173.1	0	0	0	0	110.6	R188 G212 D213	V186-R188 PolarHBondContact O-N 3Å; V186-G212 PolarHBondContact N-O 3.26Å; V186-G212 VanDerWaalsContact N-O 3.13Å; V186-D213 HydrophobicContact CG2-CB 4.36Å
187	D	96.6	Very high	95.9	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.016	18%	0.178	C	C	.	.			trans	-80.6	93.6	172.7	-167.2	-32.3	0	0	0	110.7	Y162 S185 V189 K190 D191 L215 K216 Y465	Y162-D187 HydrophobicContact CD1-CB 4.18Å; S185-D187 PolarHBondContact O-N 2.91Å; S185-D187 PolarHBondContact OG-N 2.88Å; S185-D187 VanDerWaalsContact OG-N 3.15Å; D187-V189 PolarHBondContact O-N 3.12Å; D187-V189 WeakPolarHBondContact OD1-CB 3.17Å; D187-V189 PolarHBondContact OD1-N 3.12Å; D187-K190 HydrophobicContact CB-CB 4.16Å; D187-K190 CarbonylContact O-C 3.46Å; D187-K190 PolarHBondContact O-N 2.89Å; D187-K190 PolarHBondContact OD1-N 2.85Å; D187-D191 PolarHBondContact O-N 2.78Å; D187-L215 HydrophobicContact CB-CD2 3.85Å; D187-L215 WeakPolarHBondContact OD2-CA 3.29Å; D187-K216 PolarHBondContact OD2-N 2.92Å; D187-Y465 PolarHBondContact OD2-OH 2.77Å
188	R	94.4	Very high	96.3	Very high	81 Å²	81	28.1 Å²	28.1	31%	0.306	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-24	-179.7	-59.6	-58.4	171.8	148.4	3.5	114.1	R184 S185 V186 D430	R184-R188 VanDerWaalsContact CD-NH1 3.29Å; S185-R188 WeakPolarHBondContact O-CD 2.88Å; S185-R188 PolarHBondContact O-NE 2.91Å; S185-R188 VanDerWaalsContact O-NE 3.17Å; V186-R188 PolarHBondContact O-N 3Å; R188-D430 IonicContact CZ-OD1 3.67Å; R188-D430 IonicContact NH1-OD1 3.6Å; R188-D430 PolarHBondContact NH1-OD1 3.25Å; R188-D430 IonicContact NH2-OD1 3.88Å; R188-D430 PolarHBondContact NH2-OD1 3.28Å; R188-D430 IonicContact NH2-OD2 3.19Å; R188-D430 PolarHBondContact NH2-OD2 3.19Å
189	V	94.1	Very high	96.4	Very high	20 Å²	20	24.7 Å²	24.7	12%	0.121	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-32.9	178.1	179.2	0	0	0	0	110.4	D187 K352 T464 Y465	D187-V189 PolarHBondContact O-N 3.12Å; D187-V189 WeakPolarHBondContact OD1-CB 3.17Å; D187-V189 PolarHBondContact OD1-N 3.12Å; V189-K352 PolarHBondContact O-NZ 3.45Å; V189-T464 VanDerWaalsContact CG2-O 3.26Å; V189-T464 WeakPolarHBondContact CG2-O 3.17Å; V189-Y465 HydrophobicContact CB-CD1 4.29Å; V189-Y465 HydrophobicContact CB-CE1 3.89Å; V189-Y465 HydrophobicContact CB-CE2 4.35Å; V189-Y465 HydrophobicContact CG1-CD2 4.28Å; V189-Y465 HydrophobicContact CG1-CE1 4.33Å; V189-Y465 HydrophobicContact CG1-CE2 3.87Å; V189-Y465 HydrophobicContact CG2-CD1 3.86Å; V189-Y465 HydrophobicContact CG2-CE1 3.97Å; V189-Y465 HydrophobicContact CG2-CG 4.17Å
190	K	94.6	Very high	96.2	Very high	37 Å²	37	23 Å²	23	16%	0.161	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100	-5.9	178.6	-65.3	-62.3	-175.5	162	0	114.9	Y162 D187 Q192 K216 E236	Y162-K190 VanDerWaalsContact CB-O 3.28Å; Y162-K190 WeakPolarHBondContact CB-O 3.28Å; Y162-K190 HydrophobicContact CD1-CB 3.83Å; Y162-K190 HydrophobicContact CD2-CB 4.09Å; Y162-K190 HydrophobicContact CE1-CB 4.25Å; Y162-K190 HydrophobicContact CE2-CB 4.49Å; Y162-K190 HydrophobicContact CG-CB 3.76Å; D187-K190 HydrophobicContact CB-CB 4.16Å; D187-K190 CarbonylContact O-C 3.46Å; D187-K190 PolarHBondContact O-N 2.89Å; D187-K190 PolarHBondContact OD1-N 2.85Å; K190-Q192 WeakPolarHBondContact O-CG 3.4Å; K190-Q192 PolarHBondContact O-N 3.13Å; K190-K216 HydrophobicContact CG-CB 3.95Å; K190-K216 HydrophobicContact CG-CG 4.48Å; K190-E236 VanDerWaalsContact NZ-CD 3.25Å; K190-E236 IonicContact NZ-OE1 3.14Å; K190-E236 PolarHBondContact NZ-OE1 3Å; K190-E236 IonicContact NZ-OE2 2.6Å; K190-E236 PolarHBondContact NZ-OE2 3.4Å
191	D	96.5	Very high	96	Very high	6 Å²	6	24.8 Å²	24.8	3%	0.032	12%	0.115	C	C	.	.			trans	-41.8	124.3	175.9	-176.7	46.8	0	0	0	113.1	R184 S185 D187 T193	R184-D191 VanDerWaalsContact CA-OD1 3.31Å; R184-D191 WeakPolarHBondContact CA-OD1 3.22Å; R184-D191 IonicContact CZ-OD2 2.75Å; R184-D191 IonicContact NE-OD2 2.74Å; R184-D191 PolarHBondContact NE-OD2 2.96Å; R184-D191 IonicContact NH2-OD2 3.19Å; R184-D191 PolarHBondContact NH2-OD2 2.86Å; S185-D191 PolarHBondContact N-OD1 3.47Å; D187-D191 PolarHBondContact O-N 2.78Å; D191-T193 PolarHBondContact OD1-OG1 3.23Å; D191-T193 PolarHBondContact OD2-OG1 2.87Å; D191-T193 VanDerWaalsContact OD2-OG1 3.11Å
192	Q	96.7	Very high	95.7	Very high	50 Å²	50	25 Å²	25	23%	0.234	12%	0.118	C	C	.	.			trans	-114	7.3	-174.5	-74.7	177.3	-50.8	0	0	112.9	H161 Y162 K190 F194 W195 L196	H161-Q192 PolarHBondContact CD2-OE1 2.88Å; Y162-Q192 PolarHBondContact O-N 3.28Å; K190-Q192 WeakPolarHBondContact O-CG 3.4Å; K190-Q192 PolarHBondContact O-N 3.13Å; Q192-F194 PolarHBondContact O-N 3.33Å; Q192-F194 VanDerWaalsContact O-N 3.12Å; Q192-W195 PolarHBondContact O-N 3.01Å; Q192-L196 HydrophobicContact CB-CD1 4.41Å; Q192-L196 WeakPolarHBondContact O-CD1 3.4Å; Q192-L196 PolarHBondContact O-N 3.21Å
193	T	97.8	Very high	95.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-29.5	176.3	51.2	0	0	0	0	113.1	C163 L182 L183 R184 D191 W195 L196 S197 Y427 C432	C163-T193 HydrophobicContact CB-CG2 3.73Å; L182-T193 HydrophobicContact CD1-CG2 4.26Å; L182-T193 HydrophobicContact CD2-CG2 4.09Å; L182-T193 HydrophobicContact CG-CG2 3.89Å; L183-T193 WeakPolarHBondContact O-CG2 3.28Å; R184-T193 HydrophobicContact CB-CG2 4.47Å; R184-T193 HydrophobicContact CG-CG2 4.19Å; D191-T193 PolarHBondContact OD1-OG1 3.23Å; D191-T193 PolarHBondContact OD2-OG1 2.87Å; D191-T193 VanDerWaalsContact OD2-OG1 3.11Å; T193-W195 VanDerWaalsContact C-N 3.32Å; T193-W195 PolarHBondContact O-N 3.11Å; T193-L196 CarbonylContact O-C 3.11Å; T193-L196 VanDerWaalsContact O-C 3.31Å; T193-L196 PolarHBondContact O-N 3.12Å; T193-L196 VanDerWaalsContact O-N 3.08Å; T193-S197 PolarHBondContact O-N 2.95Å; T193-Y427 VanDerWaalsContact OG1-CE1 3.28Å; T193-Y427 WeakPolarHBondContact OG1-CE1 3.27Å; T193-Y427 PolarHBondContact OG1-OH 2.75Å; T193-C432 HydrophobicContact CG2-CB 4.4Å
194	F	97.4	Very high	95.2	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.009	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-50.4	172.8	176.9	-96.9	0	0	0	111.4	I119 Q192 L196 S197 Q348 W349 N351 W423 A425 Y427	I119-F194 HydrophobicContact CD1-CD1 4.45Å; I119-F194 HydrophobicContact CD1-CE1 4.36Å; I119-F194 WeakPolarHBondContact CD1-O 3.27Å; Q192-F194 PolarHBondContact O-N 3.33Å; Q192-F194 VanDerWaalsContact O-N 3.12Å; F194-L196 PolarHBondContact O-N 3.08Å; F194-S197 VanDerWaalsContact O-CB 3.27Å; F194-S197 WeakPolarHBondContact O-CB 3Å; F194-S197 PolarHBondContact O-N 3.45Å; F194-S197 PolarHBondContact O-OG 3.39Å; F194-Q348 HydrophobicContact CD2-CG 4.23Å; F194-Q348 WeakPolarHBondContact CE2-O 3.42Å; F194-W349 WeakPolarHBondContact CZ-O 3.41Å; F194-N351 HydrophobicContact CB-CB 4.06Å; F194-N351 HydrophobicContact CD1-CB 3.51Å; F194-N351 HydrophobicContact CE1-CB 4.13Å; F194-N351 HydrophobicContact CG-CB 3.86Å; F194-W423 WeakPolarHBondContact CZ-O 3.37Å; F194-A425 HydrophobicContact CD2-CB 3.77Å; F194-A425 HydrophobicContact CE2-CB 4.38Å; F194-Y427 WeakPolarHBondContact CA-OH 3.38Å; F194-Y427 PolarHBondContact N-OH 3.43Å; F194-Y427 VanDerWaalsContact N-OH 3.11Å
195	W	96.4	Very high	95.1	Very high	45 Å²	45	23.9 Å²	23.9	17%	0.17	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-20.9	-179.7	-51	112.2	0	0	0	113.3	N116 D118 I119 N122 Q192 T193 N351	N116-W195 WeakPolarHBondContact ND2-CZ3 3.31Å; N116-W195 VanDerWaalsContact OD1-CZ3 3.27Å; N116-W195 WeakPolarHBondContact OD1-CZ3 3.13Å; D118-W195 HydrophobicContact CB-CD2 4.4Å; D118-W195 HydrophobicContact CB-CE3 3.6Å; D118-W195 HydrophobicContact CB-CZ3 3.81Å; I119-W195 HydrophobicContact CG1-CE3 4.41Å; N122-W195 WeakPolarHBondContact CB-O 3.42Å; N122-W195 PolarHBondContact ND2-O 2.93Å; Q192-W195 PolarHBondContact O-N 3.01Å; T193-W195 VanDerWaalsContact C-N 3.32Å; T193-W195 PolarHBondContact O-N 3.11Å; W195-N351 HydrophobicContact CH2-CB 4.44Å; W195-N351 HydrophobicContact CZ2-CB 3.64Å; W195-N351 VanDerWaalsContact CZ2-ND2 3.32Å; W195-N351 WeakPolarHBondContact CZ2-ND2 3.47Å; W195-N351 PolarHBondContact NE1-ND2 2.89Å
196	L	97.4	Very high	95	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	7.6	179	-80.3	75.9	0	0	0	112.2	F127 H161 L182 Q192 T193 F194 T198 I199 F209	F127-L196 HydrophobicContact CE2-CD1 4.42Å; F127-L196 HydrophobicContact CE2-CD2 3.75Å; F127-L196 HydrophobicContact CE2-CG 3.86Å; F127-L196 HydrophobicContact CZ-CD2 3.73Å; F127-L196 HydrophobicContact CZ-CG 4.35Å; H161-L196 HydrophobicContact CB-CD1 4.46Å; L182-L196 HydrophobicContact CD1-CD2 4.28Å; L182-L196 HydrophobicContact CD2-CB 3.62Å; Q192-L196 HydrophobicContact CB-CD1 4.41Å; Q192-L196 WeakPolarHBondContact O-CD1 3.4Å; Q192-L196 PolarHBondContact O-N 3.21Å; T193-L196 CarbonylContact O-C 3.11Å; T193-L196 VanDerWaalsContact O-C 3.31Å; T193-L196 PolarHBondContact O-N 3.12Å; T193-L196 VanDerWaalsContact O-N 3.08Å; F194-L196 PolarHBondContact O-N 3.08Å; L196-T198 PolarHBondContact O-N 2.98Å; L196-I199 HydrophobicContact CB-CD1 4.27Å; L196-I199 HydrophobicContact CB-CG2 3.98Å; L196-I199 HydrophobicContact CD2-CD1 4.27Å; L196-I199 HydrophobicContact CG-CG2 4.11Å; L196-I199 VanDerWaalsContact O-CG1 3.31Å; L196-I199 WeakPolarHBondContact O-CG1 3.32Å; L196-I199 WeakPolarHBondContact O-CG2 3.15Å; L196-I199 PolarHBondContact O-N 2.64Å; L196-F209 HydrophobicContact CD2-CE1 4.04Å; L196-F209 HydrophobicContact CD2-CZ 4.04Å
197	S	97.1	Very high	95	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-15.6	-174.3	54.9	0	0	0	0	113.9	T193 F194 G434 G435	T193-S197 PolarHBondContact O-N 2.95Å; F194-S197 VanDerWaalsContact O-CB 3.27Å; F194-S197 WeakPolarHBondContact O-CB 3Å; F194-S197 PolarHBondContact O-N 3.45Å; F194-S197 PolarHBondContact O-OG 3.39Å; S197-G434 CarbonylContact O-C 3.47Å; S197-G434 WeakPolarHBondContact O-CA 3.44Å; S197-G435 PolarHBondContact O-N 3.33Å
198	T	95.1	Very high	95.1	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.2	18.6	179.5	63.8	0	0	0	0	113.1	I119 R123 L196 V330 R401 W423	I119-T198 HydrophobicContact CG2-CG2 3.71Å; I119-T198 WeakPolarHBondContact CG2-OG1 3.47Å; R123-T198 WeakPolarHBondContact CB-OG1 3.37Å; L196-T198 PolarHBondContact O-N 2.98Å; T198-V330 HydrophobicContact CG2-CB 4.23Å; T198-V330 HydrophobicContact CG2-CG1 4.32Å; T198-R401 PolarHBondContact O-NH1 3.46Å; T198-R401 PolarHBondContact O-NH2 2.61Å; T198-W423 HydrophobicContact CG2-CD2 4.48Å; T198-W423 HydrophobicContact CG2-CE3 3.6Å; T198-W423 HydrophobicContact CG2-CH2 3.77Å; T198-W423 HydrophobicContact CG2-CZ3 3.21Å
199	I	94.3	Very high	95.3	Very high	3 Å²	3	18.9 Å²	18.9	2%	0.015	9%	0.087	C	C	.	.			trans	-72.3	156.5	171.7	68.8	-177.5	0	0	0	110.6	F127 L182 L196 L204 I332 R401	F127-I199 HydrophobicContact CB-CG2 4.05Å; F127-I199 HydrophobicContact CD2-CG2 3.72Å; F127-I199 HydrophobicContact CE2-CG2 4.39Å; F127-I199 HydrophobicContact CG-CG2 3.91Å; L182-I199 HydrophobicContact CB-CD1 4.29Å; L182-I199 HydrophobicContact CD1-CD1 3.98Å; L182-I199 HydrophobicContact CD2-CD1 3.86Å; L182-I199 HydrophobicContact CD2-CG1 4.36Å; L182-I199 HydrophobicContact CG-CD1 4.26Å; L196-I199 HydrophobicContact CB-CD1 4.27Å; L196-I199 HydrophobicContact CB-CG2 3.98Å; L196-I199 HydrophobicContact CD2-CD1 4.27Å; L196-I199 HydrophobicContact CG-CG2 4.11Å; L196-I199 VanDerWaalsContact O-CG1 3.31Å; L196-I199 WeakPolarHBondContact O-CG1 3.32Å; L196-I199 WeakPolarHBondContact O-CG2 3.15Å; L196-I199 PolarHBondContact O-N 2.64Å; I199-L204 HydrophobicContact CD1-CD1 3.92Å; I199-L204 HydrophobicContact CD1-CD2 3.36Å; I199-L204 HydrophobicContact CD1-CG 3.58Å; I199-L204 HydrophobicContact CG1-CD1 4.24Å; I199-L204 HydrophobicContact CG1-CD2 4.43Å; I199-L204 HydrophobicContact CG1-CG 4.15Å; I199-I332 HydrophobicContact CG1-CD1 4.07Å; I199-I332 HydrophobicContact CG1-CG1 4.39Å; I199-I332 HydrophobicContact CG1-CG2 4.4Å; I199-R401 PolarHBondContact O-NH2 3.24Å
200	S	91.1	Very high	95.5	Very high	13 Å²	13	18 Å²	18	9%	0.091	8%	0.081	C	C	.	.			trans	-94.6	142.5	179.4	178.1	0	0	0	0	111.9	K202 E203 L204	S200-K202 PolarHBondContact O-N 2.86Å; S200-K202 VanDerWaalsContact O-N 3.12Å; S200-K202 WeakPolarHBondContact OG-CB 3.27Å; S200-K202 PolarHBondContact OG-N 3.26Å; S200-K202 VanDerWaalsContact OG-N 3.12Å; S200-E203 PolarHBondContact O-N 3.32Å; S200-L204 PolarHBondContact O-N 3.08Å
201	H	90.6	Very high	95.7	Very high	39 Å²	39	16.2 Å²	16.2	18%	0.181	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-17.1	167.1	68.1	-88.7	0	0	0	113.3	E179 E203 P205 I332	E179-H201 HydrophobicContact CB-CB 4.25Å; E179-H201 VanDerWaalsContact CD-CD2 3.45Å; E179-H201 HydrophobicContact CG-CB 4.37Å; E179-H201 IonicContact OE1-CD2 2.85Å; E179-H201 PolarHBondContact OE1-CD2 2.71Å; E179-H201 IonicContact OE1-CE1 3.39Å; E179-H201 IonicContact OE1-CG 2.83Å; E179-H201 IonicContact OE1-ND1 3.17Å; E179-H201 IonicContact OE1-NE2 3.39Å; E179-H201 PolarHBondContact OE1-NE2 2.7Å; E179-H201 IonicContact OE2-CD2 2.74Å; E179-H201 IonicContact OE2-CG 2.78Å; E179-H201 IonicContact OE2-ND1 2.79Å; H201-E203 PolarHBondContact O-N 2.99Å; H201-P205 WeakPolarHBondContact O-CD 3.39Å; H201-P205 WeakPolarHBondContact O-CG 3.43Å; H201-I332 WeakPolarHBondContact CB-O 3.33Å; H201-I332 PolarHBondContact N-O 3.25Å; H201-I332 PolarHBondContact ND1-O 3.43Å
202	K	90.8	Very high	95.7	Very high	92 Å²	92	15.9 Å²	15.9	40%	0.4	7%	0.072	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-25.3	173.4	-62	179.3	-173.7	174.1	0	111.9	S200 Y206 D399 N400	S200-K202 PolarHBondContact O-N 2.86Å; S200-K202 VanDerWaalsContact O-N 3.12Å; S200-K202 WeakPolarHBondContact OG-CB 3.27Å; S200-K202 PolarHBondContact OG-N 3.26Å; S200-K202 VanDerWaalsContact OG-N 3.12Å; K202-Y206 WeakPolarHBondContact O-CE2 3.37Å; K202-D399 PolarHBondContact NZ-O 3.44Å; K202-N400 PolarHBondContact NZ-O 3.37Å
203	E	91.8	Very high	95.7	Very high	18 Å²	18	16.9 Å²	16.9	8%	0.084	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-39.1	-174.8	-52.4	-61.1	162	0	0	112.1	F127 T131 K138 S200 H201 P205 Y206 C207	F127-E203 WeakPolarHBondContact O-CG 3.44Å; T131-E203 WeakPolarHBondContact CB-OE2 3.36Å; T131-E203 WeakPolarHBondContact CG2-OE2 3.33Å; T131-E203 PolarHBondContact OG1-OE2 3.43Å; K138-E203 IonicContact NZ-OE1 3.87Å; K138-E203 PolarHBondContact NZ-OE1 3.29Å; K138-E203 IonicContact NZ-OE2 3.69Å; K138-E203 PolarHBondContact NZ-OE2 3Å; S200-E203 PolarHBondContact O-N 3.32Å; H201-E203 PolarHBondContact O-N 2.99Å; E203-P205 VanDerWaalsContact C-N 3.32Å; E203-Y206 PolarHBondContact O-N 3.24Å; E203-C207 PolarHBondContact O-SG 2.94Å
204	L	94.8	Very high	95.7	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-50	-38.6	-179	-86.7	175.6	0	0	0	115.4	N165 A180 L182 I199 S200 Y206 C207 F209 I332	N165-L204 PolarHBondContact ND2-O 3.49Å; A180-L204 HydrophobicContact CB-CB 3.73Å; L182-L204 HydrophobicContact CB-CD1 4.14Å; L182-L204 HydrophobicContact CD1-CD2 4.45Å; I199-L204 HydrophobicContact CD1-CD1 3.92Å; I199-L204 HydrophobicContact CD1-CD2 3.36Å; I199-L204 HydrophobicContact CD1-CG 3.58Å; I199-L204 HydrophobicContact CG1-CD1 4.24Å; I199-L204 HydrophobicContact CG1-CD2 4.43Å; I199-L204 HydrophobicContact CG1-CG 4.15Å; S200-L204 PolarHBondContact O-N 3.08Å; L204-Y206 PolarHBondContact O-N 2.98Å; L204-C207 HydrophobicContact CD2-CB 4.48Å; L204-C207 PolarHBondContact O-N 2.92Å; L204-F209 HydrophobicContact CD2-CE2 4.06Å; L204-F209 HydrophobicContact CD2-CZ 4.31Å; L204-I332 HydrophobicContact CD1-CG2 3.4Å; L204-I332 VanDerWaalsContact CD1-CG2 3.4Å
205	P	94.5	Very high	95.7	Very high	18 Å²	18	21.1 Å²	21.1	12%	0.117	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-61.6	-10.1	176.7	-26.6	35.6	0	0	0	114.8	F167 L171 R174 A180 H201 E203	F167-P205 HydrophobicContact CE2-CB 4.35Å; L171-P205 WeakPolarHBondContact CD1-O 3.3Å; R174-P205 PolarHBondContact NH1-O 3.44Å; A180-P205 HydrophobicContact CB-CG 4.19Å; H201-P205 WeakPolarHBondContact O-CD 3.39Å; H201-P205 WeakPolarHBondContact O-CG 3.43Å; E203-P205 VanDerWaalsContact C-N 3.32Å
206	Y	95.3	Very high	95.7	Very high	53 Å²	53	19.3 Å²	19.3	21%	0.208	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-114.5	3.3	177	-50.8	-82.6	0	0	0	112.7	L135 A156 I157 K202 E203 L204	L135-Y206 HydrophobicContact CD1-CD1 4.14Å; L135-Y206 HydrophobicContact CD1-CD2 4Å; L135-Y206 HydrophobicContact CD1-CG 3.69Å; L135-Y206 HydrophobicContact CD2-CD1 4.42Å; L135-Y206 HydrophobicContact CD2-CG 4.44Å; A156-Y206 CarbonylContact C-O 3.47Å; A156-Y206 WeakPolarHBondContact CA-O 3.38Å; A156-Y206 WeakPolarHBondContact CB-O 3.39Å; I157-Y206 PolarHBondContact N-O 2.68Å; K202-Y206 WeakPolarHBondContact O-CE2 3.37Å; E203-Y206 PolarHBondContact O-N 3.24Å; L204-Y206 PolarHBondContact O-N 2.98Å
207	C	97.3	Very high	95.5	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.007	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	119.2	-173.7	-63.6	0	0	0	0	112.3	F127 I157 N165 E203 L204 F209	F127-C207 HydrophobicContact CE1-CB 4.37Å; I157-C207 HydrophobicContact CG1-CB 4.45Å; N165-C207 PolarHBondContact ND2-O 3.18Å; E203-C207 PolarHBondContact O-SG 2.94Å; L204-C207 HydrophobicContact CD2-CB 4.48Å; L204-C207 PolarHBondContact O-N 2.92Å; C207-F209 HydrophobicContact CB-CE1 4.47Å; C207-F209 HydrophobicContact CB-CE2 4.13Å; C207-F209 HydrophobicContact CB-CZ 3.81Å
208	M	98.5	Very high	95.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	143	171.6	-66.2	-176	-178.6	0	0	111.5	I24 V27 L44 F49 A156 I157 A158 T159 N169 Y170 L171	I24-M208 HydrophobicContact CB-CE 4.48Å; I24-M208 HydrophobicContact CD1-CE 4.02Å; I24-M208 HydrophobicContact CG2-CE 3.68Å; V27-M208 HydrophobicContact CG1-SD 4.11Å; V27-M208 HydrophobicContact CG2-CE 4.05Å; V27-M208 HydrophobicContact CG2-SD 3.92Å; L44-M208 HydrophobicContact CD2-SD 3.57Å; L44-M208 VanDerWaalsContact CD2-SD 3.57Å; F49-M208 HydrophobicContact CE1-CE 4.02Å; F49-M208 HydrophobicContact CZ-CE 3.96Å; F49-M208 HydrophobicContact CZ-SD 4.47Å; A156-M208 HydrophobicContact CB-CE 4.04Å; I157-M208 PolarHBondContact O-N 3.46Å; A158-M208 WeakPolarHBondContact CA-O 3.32Å; A158-M208 HydrophobicContact CB-CB 3.9Å; T159-M208 PolarHBondContact N-O 3.5Å; N169-M208 WeakPolarHBondContact O-CA 3.37Å; N169-M208 VanDerWaalsContact O-CB 3.32Å; N169-M208 WeakPolarHBondContact O-CB 3.37Å; Y170-M208 WeakPolarHBondContact O-CE 3.37Å; L171-M208 HydrophobicContact CB-CE 4.2Å; L171-M208 HydrophobicContact CD1-CE 3.93Å; L171-M208 HydrophobicContact CD1-CG 3.88Å; L171-M208 HydrophobicContact CG-CE 4.19Å; L171-M208 HydrophobicContact CG-CG 3.88Å
209	F	98.6	Very high	95.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.14	C	C	.	.			trans	-129.7	71.9	177.9	-55.3	-63.5	0	0	0	110.3	F127 T159 H161 C163 N165 N169 L182 L196 L204 C207 V211 G212	F127-F209 AromaticContact CE1-CE1 3.81Å; F127-F209 HydrophobicContact CE1-CE1 3.81Å; F127-F209 AromaticContact CE1-CZ 4Å; F127-F209 HydrophobicContact CE1-CZ 4Å; F127-F209 AromaticContact CZ-CE1 3.78Å; F127-F209 HydrophobicContact CZ-CE1 3.78Å; F127-F209 HydrophobicContact CZ-CZ 4.24Å; T159-F209 WeakPolarHBondContact OG1-CD1 3.37Å; H161-F209 HydrophobicContact CB-CD1 4.21Å; H161-F209 HydrophobicContact CB-CE1 4.47Å; C163-F209 WeakPolarHBondContact O-CB 3.49Å; C163-F209 WeakPolarHBondContact SG-CD1 3.23Å; C163-F209 VanDerWaalsContact SG-CE1 3.58Å; C163-F209 WeakPolarHBondContact SG-CG 3.49Å; N165-F209 HydrophobicContact CB-CD2 4.02Å; N165-F209 HydrophobicContact CB-CE2 4.25Å; N169-F209 VanDerWaalsContact CB-O 3.3Å; N169-F209 WeakPolarHBondContact CB-O 3.37Å; N169-F209 VanDerWaalsContact CG-O 3.24Å; N169-F209 PolarHBondContact ND2-O 3.22Å; N169-F209 PolarHBondContact O-N 3.01Å; N169-F209 VanDerWaalsContact O-N 3.12Å; L182-F209 HydrophobicContact CD1-CE2 4.33Å; L196-F209 HydrophobicContact CD2-CE1 4.04Å; L196-F209 HydrophobicContact CD2-CZ 4.04Å; L204-F209 HydrophobicContact CD2-CE2 4.06Å; L204-F209 HydrophobicContact CD2-CZ 4.31Å; C207-F209 HydrophobicContact CB-CE1 4.47Å; C207-F209 HydrophobicContact CB-CE2 4.13Å; C207-F209 HydrophobicContact CB-CZ 3.81Å; F209-V211 PolarHBondContact O-N 2.92Å; F209-G212 PolarHBondContact O-N 3.39Å
210	P	98.6	Very high	95.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-18.2	-168.5	-26.3	36	0	0	0	116	L43 L44 A158 T159 Y170	L43-P210 HydrophobicContact CB-CB 4.14Å; L43-P210 HydrophobicContact CD1-CB 4.16Å; L43-P210 WeakPolarHBondContact CD1-O 3.44Å; L44-P210 HydrophobicContact CD1-CG 3.99Å; L44-P210 HydrophobicContact CD2-CG 3.95Å; L44-P210 HydrophobicContact CG-CG 3.76Å; A158-P210 HydrophobicContact CB-CG 4.42Å; T159-P210 WeakPolarHBondContact O-CD 3.36Å; Y170-P210 HydrophobicContact CE1-CB 3.78Å; Y170-P210 HydrophobicContact CE1-CG 4.13Å; Y170-P210 PolarHBondContact OH-O 3.45Å
211	V	98.4	Very high	95.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	0.6	178	-63.4	0	0	0	0	113	V39 L43 Y162 F209 D213 L214 V219	V39-V211 HydrophobicContact CG1-CG1 4.19Å; L43-V211 HydrophobicContact CD1-CG1 4.38Å; Y162-V211 HydrophobicContact CE2-CG2 4.49Å; F209-V211 PolarHBondContact O-N 2.92Å; V211-D213 PolarHBondContact O-N 3.38Å; V211-L214 PolarHBondContact O-N 3.25Å; V211-V219 HydrophobicContact CB-CG2 3.98Å; V211-V219 HydrophobicContact CG1-CG1 4.44Å; V211-V219 HydrophobicContact CG1-CG2 3.85Å
212	G	97.9	Very high	96.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-28.1	-173	0	0	0	0	0	115.4	C163 Q164 S185 V186 F209	C163-G212 WeakPolarHBondContact O-CA 3.43Å; Q164-G212 WeakPolarHBondContact CG-O 3.45Å; S185-G212 WeakPolarHBondContact CA-O 3.36Å; S185-G212 PolarHBondContact OG-O 3Å; V186-G212 PolarHBondContact N-O 3.26Å; V186-G212 VanDerWaalsContact N-O 3.13Å; F209-G212 PolarHBondContact O-N 3.39Å
213	D	96.6	Very high	96.4	Very high	71 Å²	71	30.3 Å²	30.3	38%	0.38	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	7.9	179	58.7	-32.1	0	0	0	113.4	N169 V186 V211	N169-D213 PolarHBondContact ND2-N 2.94Å; N169-D213 PolarHBondContact ND2-OD1 3.1Å; V186-D213 HydrophobicContact CG2-CB 4.36Å; V211-D213 PolarHBondContact O-N 3.38Å
214	L	98.1	Very high	96.5	Very high	28 Å²	28	34 Å²	34	15%	0.147	17%	0.169	C	C	.	.	S	Bend	trans	-114.3	145.6	-178.6	-59.2	179	0	0	0	111.9	L43 V211 Q218 V219 I222	L43-L214 HydrophobicContact CD1-CD1 3.84Å; V211-L214 PolarHBondContact O-N 3.25Å; L214-Q218 HydrophobicContact CB-CB 4.47Å; L214-V219 HydrophobicContact CB-CG2 3.78Å; L214-V219 HydrophobicContact CD1-CG2 3.98Å; L214-I222 HydrophobicContact CD1-CD1 3.78Å
215	L	97.1	Very high	96.6	Very high	63 Å²	63	39.4 Å²	39.4	33%	0.33	20%	0.198	S	C	.	.			trans	-72.4	149.9	163.9	-58	-179.5	0	0	0	110.5	D187 T217 Q218 V219	D187-L215 HydrophobicContact CB-CD2 3.85Å; D187-L215 WeakPolarHBondContact OD2-CA 3.29Å; L215-T217 PolarHBondContact O-N 3.14Å; L215-T217 VanDerWaalsContact O-N 3.14Å; L215-Q218 HydrophobicContact CB-CG 4.19Å; L215-Q218 WeakPolarHBondContact O-CA 3.37Å; L215-Q218 WeakPolarHBondContact O-CB 3.32Å; L215-Q218 PolarHBondContact O-N 3.25Å; L215-V219 PolarHBondContact O-N 3.47Å
216	K	94.9	Very high	96.7	Very high	7 Å²	7	39.7 Å²	39.7	3%	0.03	20%	0.198	C	C	.	.	H	α-helix	trans	-55.3	-35.2	175.5	-175.4	61.2	-178.4	-150.2	0	113.1	D36 Y162 D187 K190 Q218 V219 K220 E236 Y465	D36-K216 IonicContact OD1-NZ 3.95Å; D36-K216 PolarHBondContact OD1-NZ 3.33Å; D36-K216 IonicContact OD2-NZ 3.38Å; D36-K216 PolarHBondContact OD2-NZ 3.3Å; Y162-K216 HydrophobicContact CE2-CD 4.35Å; Y162-K216 WeakPolarHBondContact OH-CD 3.38Å; D187-K216 PolarHBondContact OD2-N 2.92Å; K190-K216 HydrophobicContact CG-CB 3.95Å; K190-K216 HydrophobicContact CG-CG 4.48Å; K216-Q218 VanDerWaalsContact C-N 3.34Å; K216-V219 PolarHBondContact O-N 3.05Å; K216-K220 WeakPolarHBondContact O-CB 2.97Å; K216-K220 WeakPolarHBondContact O-CG 3.16Å; K216-K220 PolarHBondContact O-N 3.09Å; K216-E236 WeakPolarHBondContact CE-OE1 3.19Å; K216-E236 IonicContact NZ-OE1 3.86Å; K216-E236 PolarHBondContact NZ-OE1 3.46Å; K216-Y465 WeakPolarHBondContact CB-OH 3.43Å
217	T	94.6	Very high	96.7	Very high	88 Å²	88	38.8 Å²	38.8	54%	0.54	21%	0.205	S	C	.	.	H	α-helix	trans	-63.1	-41.5	176.4	49.2	0	0	0	0	111.3	L215 K220 Q221	L215-T217 PolarHBondContact O-N 3.14Å; L215-T217 VanDerWaalsContact O-N 3.14Å; T217-K220 PolarHBondContact O-N 2.84Å; T217-Q221 WeakPolarHBondContact O-CB 3.2Å; T217-Q221 PolarHBondContact O-N 3.34Å
218	Q	96.9	Very high	96.5	Very high	89 Å²	89	38.8 Å²	38.8	42%	0.416	21%	0.205	S	C	.	.	H	α-helix	trans	-67.7	-43.2	175.8	-64.2	172	-53.2	0	0	111.4	L214 L215 K216 K220 Q221 I222	L214-Q218 HydrophobicContact CB-CB 4.47Å; L215-Q218 HydrophobicContact CB-CG 4.19Å; L215-Q218 WeakPolarHBondContact O-CA 3.37Å; L215-Q218 WeakPolarHBondContact O-CB 3.32Å; L215-Q218 PolarHBondContact O-N 3.25Å; K216-Q218 VanDerWaalsContact C-N 3.34Å; Q218-K220 VanDerWaalsContact C-N 3.3Å; Q218-K220 PolarHBondContact O-N 3.01Å; Q218-Q221 PolarHBondContact O-N 3.04Å; Q218-I222 VanDerWaalsContact O-CG1 3.3Å; Q218-I222 WeakPolarHBondContact O-CG1 3.06Å; Q218-I222 PolarHBondContact O-N 3.03Å
219	V	96.7	Very high	95.9	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-57.7	-46	174.8	172.7	0	0	0	0	110.7	V39 Y162 V211 L214 L215 K216 I222 A223	V39-V219 HydrophobicContact CB-CG1 3.88Å; V39-V219 HydrophobicContact CG1-CG1 4.06Å; V39-V219 HydrophobicContact CG2-CG1 3.86Å; V39-V219 WeakPolarHBondContact CG2-O 3.15Å; Y162-V219 HydrophobicContact CE1-CG2 4.27Å; Y162-V219 WeakPolarHBondContact OH-CG2 3.43Å; V211-V219 HydrophobicContact CB-CG2 3.98Å; V211-V219 HydrophobicContact CG1-CG1 4.44Å; V211-V219 HydrophobicContact CG1-CG2 3.85Å; L214-V219 HydrophobicContact CB-CG2 3.78Å; L214-V219 HydrophobicContact CD1-CG2 3.98Å; L215-V219 PolarHBondContact O-N 3.47Å; K216-V219 PolarHBondContact O-N 3.05Å; V219-I222 PolarHBondContact O-N 2.62Å; V219-A223 PolarHBondContact O-N 3.39Å
220	K	94.6	Very high	95.3	Very high	75 Å²	75	48 Å²	48	33%	0.326	25%	0.251	S	S	.	.	H	α-helix	trans	-61.9	-42.4	175.8	-85	-170.6	175.3	-169.4	0	113	K216 T217 Q218 A223 Q224 Y232	K216-K220 WeakPolarHBondContact O-CB 2.97Å; K216-K220 WeakPolarHBondContact O-CG 3.16Å; K216-K220 PolarHBondContact O-N 3.09Å; T217-K220 PolarHBondContact O-N 2.84Å; Q218-K220 VanDerWaalsContact C-N 3.3Å; Q218-K220 PolarHBondContact O-N 3.01Å; K220-A223 PolarHBondContact O-N 2.79Å; K220-Q224 PolarHBondContact O-N 3.42Å; K220-Y232 HydrophobicContact CB-CD2 3.97Å; K220-Y232 HydrophobicContact CB-CE2 3.82Å; K220-Y232 HydrophobicContact CD-CD2 4.47Å; K220-Y232 HydrophobicContact CD-CE2 4.07Å; K220-Y232 HydrophobicContact CG-CD2 4.1Å; K220-Y232 HydrophobicContact CG-CE2 4.1Å; K220-Y232 WeakPolarHBondContact O-CD2 3.46Å
221	Q	95.5	Very high	94.8	Very high	90 Å²	90	48 Å²	48	42%	0.421	25%	0.251	S	S	.	.	H	α-helix	trans	-62.2	-45.8	176.4	-171	61.4	54.7	0	0	111.3	T217 Q218 A223 Q224 D225	T217-Q221 WeakPolarHBondContact O-CB 3.2Å; T217-Q221 PolarHBondContact O-N 3.34Å; Q218-Q221 PolarHBondContact O-N 3.04Å; Q221-A223 VanDerWaalsContact C-N 3.31Å; Q221-A223 PolarHBondContact O-N 3.34Å; Q221-Q224 WeakPolarHBondContact O-CB 3.32Å; Q221-Q224 PolarHBondContact O-N 3.08Å; Q221-Q224 VanDerWaalsContact O-N 3.1Å; Q221-D225 PolarHBondContact NE2-OD1 2.87Å; Q221-D225 PolarHBondContact O-N 2.89Å
222	I	97	Very high	94.1	Very high	36 Å²	36	52.1 Å²	52.1	19%	0.185	27%	0.267	C	S	.	.	H	α-helix	trans	-57.6	-45.6	176.3	-67.2	162.3	0	0	0	110.6	V39 Y42 L214 Q218 V219 Q224 D225 I226	V39-I222 HydrophobicContact CG1-CB 4.21Å; V39-I222 HydrophobicContact CG1-CD1 4.31Å; V39-I222 HydrophobicContact CG1-CG2 3.86Å; V39-I222 HydrophobicContact CG2-CG2 4.35Å; Y42-I222 HydrophobicContact CD1-CG2 3.79Å; Y42-I222 HydrophobicContact CE1-CG2 3.81Å; L214-I222 HydrophobicContact CD1-CD1 3.78Å; Q218-I222 VanDerWaalsContact O-CG1 3.3Å; Q218-I222 WeakPolarHBondContact O-CG1 3.06Å; Q218-I222 PolarHBondContact O-N 3.03Å; V219-I222 PolarHBondContact O-N 2.62Å; I222-Q224 VanDerWaalsContact C-N 3.29Å; I222-Q224 PolarHBondContact O-N 3.45Å; I222-D225 PolarHBondContact O-N 3.39Å; I222-I226 HydrophobicContact CG2-CG2 4.39Å; I222-I226 VanDerWaalsContact O-CG1 3.32Å; I222-I226 WeakPolarHBondContact O-CG1 3.43Å; I222-I226 WeakPolarHBondContact O-CG2 3.49Å; I222-I226 PolarHBondContact O-N 2.86Å
223	A	96.6	Very high	93.2	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-60.5	-38.6	178	0	0	0	0	0	112.6	V35 V39 V219 K220 Q221 L228	V35-A223 HydrophobicContact CG2-CB 3.43Å; V35-A223 VanDerWaalsContact CG2-CB 3.43Å; V39-A223 HydrophobicContact CG2-CB 3.76Å; V219-A223 PolarHBondContact O-N 3.39Å; K220-A223 PolarHBondContact O-N 2.79Å; Q221-A223 VanDerWaalsContact C-N 3.31Å; Q221-A223 PolarHBondContact O-N 3.34Å; A223-L228 WeakPolarHBondContact O-CA 3.45Å; A223-L228 WeakPolarHBondContact O-CB 3.47Å; A223-L228 PolarHBondContact O-N 2.76Å
224	Q	95.1	Very high	92.4	Very high	95 Å²	95	55.9 Å²	55.9	44%	0.444	29%	0.289	S	S	.	.	H	α-helix	trans	-66.3	-48.3	175.3	-176.3	176.7	5.4	0	0	111.3	K220 Q221 I222 I226 G227	K220-Q224 PolarHBondContact O-N 3.42Å; Q221-Q224 WeakPolarHBondContact O-CB 3.32Å; Q221-Q224 PolarHBondContact O-N 3.08Å; Q221-Q224 VanDerWaalsContact O-N 3.1Å; I222-Q224 VanDerWaalsContact C-N 3.29Å; I222-Q224 PolarHBondContact O-N 3.45Å; Q224-I226 VanDerWaalsContact C-N 3.3Å; Q224-I226 PolarHBondContact O-N 2.51Å; Q224-G227 PolarHBondContact O-N 3.32Å; Q224-G227 VanDerWaalsContact O-N 3.09Å
225	D	96.3	Very high	91.3	Very high	113 Å²	113	65.6 Å²	65.6	60%	0.604	32%	0.324	S	S	*	.	H	α-helix	trans	-63.3	-35.8	-176.3	-65	-15.8	0	0	0	112.5	Q221 I222 G227	Q221-D225 PolarHBondContact NE2-OD1 2.87Å; Q221-D225 PolarHBondContact O-N 2.89Å; I222-D225 PolarHBondContact O-N 3.39Å; D225-G227 VanDerWaalsContact C-N 3.26Å; D225-G227 PolarHBondContact O-N 3.19Å
226	I	96.3	Very high	90.1	Very high	25 Å²	25	66.5 Å²	66.5	13%	0.128	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	4.5	178.9	72.3	-178.2	0	0	0	113.1	Y42 Y83 I222 Q224 L228	Y42-I226 HydrophobicContact CD1-CD1 3.98Å; Y42-I226 HydrophobicContact CD1-CG2 4.26Å; Y42-I226 HydrophobicContact CD2-CD1 3.78Å; Y42-I226 HydrophobicContact CD2-CG2 4.11Å; Y42-I226 HydrophobicContact CE1-CG2 3.8Å; Y42-I226 HydrophobicContact CE2-CB 4.38Å; Y42-I226 HydrophobicContact CE2-CD1 4.38Å; Y42-I226 HydrophobicContact CE2-CG2 3.62Å; Y42-I226 HydrophobicContact CG-CD1 3.55Å; Y42-I226 HydrophobicContact CG-CG2 4.4Å; Y42-I226 VanDerWaalsContact CZ-CG2 3.45Å; Y83-I226 WeakPolarHBondContact CE1-O 3.21Å; Y83-I226 PolarHBondContact OH-O 3.45Å; I222-I226 HydrophobicContact CG2-CG2 4.39Å; I222-I226 VanDerWaalsContact O-CG1 3.32Å; I222-I226 WeakPolarHBondContact O-CG1 3.43Å; I222-I226 WeakPolarHBondContact O-CG2 3.49Å; I222-I226 PolarHBondContact O-N 2.86Å; Q224-I226 VanDerWaalsContact C-N 3.3Å; Q224-I226 PolarHBondContact O-N 2.51Å; I226-L228 HydrophobicContact CD1-CD1 3.72Å; I226-L228 HydrophobicContact CD1-CG 4.12Å; I226-L228 HydrophobicContact CG1-CB 4.28Å; I226-L228 HydrophobicContact CG1-CD1 4.18Å; I226-L228 HydrophobicContact CG1-CG 4.02Å
227	G	94.9	Very high	88.8	Confident	34 Å²	34	70.9 Å²	70.9	35%	0.351	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.6	12.7	176.8	0	0	0	0	0	115.7	Q224 D225 S229	Q224-G227 PolarHBondContact O-N 3.32Å; Q224-G227 VanDerWaalsContact O-N 3.09Å; D225-G227 VanDerWaalsContact C-N 3.26Å; D225-G227 PolarHBondContact O-N 3.19Å; G227-S229 PolarHBondContact O-N 2.98Å; G227-S229 VanDerWaalsContact O-N 3.1Å
228	L	93.6	Very high	87.3	Confident	1 Å²	1	74.4 Å²	74.4	1%	0.005	37%	0.37	C	S	.	.			trans	-84	40	173.1	-71.6	-178.9	0	0	0	112.4	A38 F79 Y83 A223 I226 R230 I231 Y232	A38-L228 HydrophobicContact CB-CD1 3.94Å; F79-L228 HydrophobicContact CE1-CD2 3.84Å; F79-L228 HydrophobicContact CZ-CD2 4.47Å; Y83-L228 HydrophobicContact CD1-CD2 3.41Å; Y83-L228 VanDerWaalsContact CD1-CD2 3.41Å; Y83-L228 HydrophobicContact CD1-CG 3.93Å; Y83-L228 HydrophobicContact CD2-CD2 4.37Å; Y83-L228 HydrophobicContact CE1-CD2 3.93Å; Y83-L228 HydrophobicContact CE1-CG 4.06Å; Y83-L228 HydrophobicContact CG-CD2 3.66Å; A223-L228 WeakPolarHBondContact O-CA 3.45Å; A223-L228 WeakPolarHBondContact O-CB 3.47Å; A223-L228 PolarHBondContact O-N 2.76Å; I226-L228 HydrophobicContact CD1-CD1 3.72Å; I226-L228 HydrophobicContact CD1-CG 4.12Å; I226-L228 HydrophobicContact CG1-CB 4.28Å; I226-L228 HydrophobicContact CG1-CD1 4.18Å; I226-L228 HydrophobicContact CG1-CG 4.02Å; L228-R230 VanDerWaalsContact C-N 3.27Å; L228-R230 PolarHBondContact O-N 3.38Å; L228-I231 PolarHBondContact O-N 2.88Å; L228-Y232 PolarHBondContact O-N 2.77Å
229	S	84.6	Confident	85.8	Confident	73 Å²	73	73.3 Å²	73.3	51%	0.51	38%	0.383	S	S	.	.	H	α-helix	trans	-58.5	-36	-177	57.9	0	0	0	0	113.3	G227 I231 Y232 S233	G227-S229 PolarHBondContact O-N 2.98Å; G227-S229 VanDerWaalsContact O-N 3.1Å; S229-I231 VanDerWaalsContact C-N 3.26Å; S229-I231 PolarHBondContact O-N 3.22Å; S229-Y232 PolarHBondContact O-N 3.02Å; S229-S233 PolarHBondContact O-N 2.89Å; S229-S233 VanDerWaalsContact O-N 3.14Å; S229-S233 PolarHBondContact O-OG 2.7Å
230	R	87.1	Confident	84.5	Confident	119 Å²	119	74.8 Å²	74.8	45%	0.449	39%	0.39	S	S	.	.	H	α-helix	trans	-54	-41.6	172.8	176.5	177.9	165.8	165.7	-2.1	112.2	D76 F79 L228 S233	D76-R230 IonicContact OD1-CZ 2.64Å; D76-R230 IonicContact OD1-NE 2.72Å; D76-R230 PolarHBondContact OD1-NE 2.84Å; D76-R230 VanDerWaalsContact OD1-NE 3.14Å; D76-R230 IonicContact OD1-NH2 3.32Å; D76-R230 PolarHBondContact OD1-NH2 3.44Å; F79-R230 HydrophobicContact CE1-CB 4.21Å; F79-R230 HydrophobicContact CZ-CB 4.46Å; L228-R230 VanDerWaalsContact C-N 3.27Å; L228-R230 PolarHBondContact O-N 3.38Å; R230-S233 PolarHBondContact O-OG 2.69Å; R230-S233 VanDerWaalsContact O-OG 3.13Å
231	I	88	Confident	83.2	Confident	1 Å²	1	75.9 Å²	75.9	1%	0.005	41%	0.406	C	S	.	.	H	α-helix	trans	-85.4	-37.6	-178.6	-56.1	-59.8	0	0	0	111.1	V35 A38 D76 F79 V80 L228 S229 S233 R234	V35-I231 HydrophobicContact CB-CG2 4.15Å; A38-I231 HydrophobicContact CB-CG2 4.34Å; D76-I231 HydrophobicContact CB-CD1 3.7Å; F79-I231 HydrophobicContact CD1-CD1 4.08Å; F79-I231 HydrophobicContact CD1-CG1 4.06Å; F79-I231 HydrophobicContact CE1-CG1 4.11Å; V80-I231 HydrophobicContact CG2-CD1 4.09Å; V80-I231 HydrophobicContact CG2-CG1 3.71Å; L228-I231 PolarHBondContact O-N 2.88Å; S229-I231 VanDerWaalsContact C-N 3.26Å; S229-I231 PolarHBondContact O-N 3.22Å; I231-S233 PolarHBondContact O-N 2.84Å; I231-R234 WeakPolarHBondContact O-CB 3.44Å; I231-R234 PolarHBondContact O-N 2.6Å; I231-R234 VanDerWaalsContact O-N 3.11Å
232	Y	82.6	Confident	81.9	Confident	87 Å²	87	72.1 Å²	72.1	34%	0.341	39%	0.388	S	S	.	.	H	α-helix	trans	-52.8	-41	175.5	159.2	-96.4	0	0	0	113	K220 L228 S229 R234	K220-Y232 HydrophobicContact CB-CD2 3.97Å; K220-Y232 HydrophobicContact CB-CE2 3.82Å; K220-Y232 HydrophobicContact CD-CD2 4.47Å; K220-Y232 HydrophobicContact CD-CE2 4.07Å; K220-Y232 HydrophobicContact CG-CD2 4.1Å; K220-Y232 HydrophobicContact CG-CE2 4.1Å; K220-Y232 WeakPolarHBondContact O-CD2 3.46Å; L228-Y232 PolarHBondContact O-N 2.77Å; S229-Y232 PolarHBondContact O-N 3.02Å; Y232-R234 VanDerWaalsContact C-N 3.27Å; Y232-R234 PolarHBondContact O-N 2.91Å
233	S	79.2	Confident	80.2	Confident	86 Å²	86	71 Å²	71	60%	0.601	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-9	-177.6	60.3	0	0	0	0	114.5	S229 R230 I231 R235	S229-S233 PolarHBondContact O-N 2.89Å; S229-S233 VanDerWaalsContact O-N 3.14Å; S229-S233 PolarHBondContact O-OG 2.7Å; R230-S233 PolarHBondContact O-OG 2.69Å; R230-S233 VanDerWaalsContact O-OG 3.13Å; I231-S233 PolarHBondContact O-N 2.84Å; S233-R235 PolarHBondContact O-N 2.94Å
234	R	80.8	Confident	78.9	Confident	64 Å²	64	72.7 Å²	72.7	24%	0.242	40%	0.4	C	S	.	.	S	Bend	trans	-65.1	137.1	176.7	-102	-166.6	167.5	-129.2	14.4	110.8	D73 D76 I231 Y232	D73-R234 IonicContact OD1-CZ 2.81Å; D73-R234 IonicContact OD1-NH1 3.12Å; D73-R234 PolarHBondContact OD1-NH1 3.35Å; D73-R234 IonicContact OD1-NH2 2.86Å; D73-R234 PolarHBondContact OD1-NH2 3.42Å; D76-R234 IonicContact OD2-CZ 3.04Å; D76-R234 IonicContact OD2-NE 2.68Å; D76-R234 PolarHBondContact OD2-NE 3.23Å; D76-R234 IonicContact OD2-NH2 2.7Å; D76-R234 PolarHBondContact OD2-NH2 2.93Å; I231-R234 WeakPolarHBondContact O-CB 3.44Å; I231-R234 PolarHBondContact O-N 2.6Å; I231-R234 VanDerWaalsContact O-N 3.11Å; Y232-R234 VanDerWaalsContact C-N 3.27Å; Y232-R234 PolarHBondContact O-N 2.91Å
235	R	75.6	Confident	77.5	Confident	232 Å²	232	78.6 Å²	78.6	88%	0.875	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-67.1	142.4	166.1	-67.8	-173.4	179.3	-169.7	0.1	108.9	S233	S233-R235 PolarHBondContact O-N 2.94Å
236	E	71.2	Confident	76.4	Confident	81 Å²	81	76.1 Å²	76.1	38%	0.379	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-60.3	137.6	169.8	-66.7	-178.9	167.1	0	0	108.9	K190 K216 M238	K190-E236 VanDerWaalsContact NZ-CD 3.25Å; K190-E236 IonicContact NZ-OE1 3.14Å; K190-E236 PolarHBondContact NZ-OE1 3Å; K190-E236 IonicContact NZ-OE2 2.6Å; K190-E236 PolarHBondContact NZ-OE2 3.4Å; K216-E236 WeakPolarHBondContact CE-OE1 3.19Å; K216-E236 IonicContact NZ-OE1 3.86Å; K216-E236 PolarHBondContact NZ-OE1 3.46Å; E236-M238 PolarHBondContact O-N 2.84Å
237	S	67.6	Low	75.6	Confident	100 Å²	100	83.2 Å²	83.2	70%	0.699	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-65.5	125.3	172.1	-58.9	0	0	0	0	108.5
238	M	62.7	Low	75	Confident	162 Å²	162	84.1 Å²	84.1	80%	0.798	43%	0.426	S	S	*	.			trans	-109.9	134.3	177.7	-65	-70.6	-72.3	0	0	108.3	E236	E236-M238 PolarHBondContact O-N 2.84Å
239	G	66.7	Low	74.5	Confident	66 Å²	66	86.5 Å²	86.5	68%	0.68	44%	0.442	S	S	*	.	S	Bend	trans	95	-177.9	-178.1	0	0	0	0	0	113.8
240	M	68.7	Low	74.5	Confident	31 Å²	31	88.5 Å²	88.5	15%	0.153	44%	0.443	C	S	.	.			trans	-69.1	137.1	-178.4	-50.8	173.9	-129.4	0	0	110.2	L105 P117 F242 I243 F248	L105-M240 HydrophobicContact CD1-SD 4.43Å; P117-M240 HydrophobicContact CG-CB 4.34Å; P117-M240 HydrophobicContact CG-CG 3.75Å; P117-M240 HydrophobicContact CG-SD 3.53Å; P117-M240 VanDerWaalsContact CG-SD 3.53Å; M240-F242 HydrophobicContact CB-CD1 4.15Å; M240-F242 HydrophobicContact CB-CE1 3.65Å; M240-F242 HydrophobicContact CB-CE2 4.41Å; M240-F242 HydrophobicContact CB-CZ 3.8Å; M240-F242 HydrophobicContact CG-CE1 4.38Å; M240-F242 HydrophobicContact CG-CZ 4.22Å; M240-F242 PolarHBondContact O-N 3.28Å; M240-F242 VanDerWaalsContact O-N 3.09Å; M240-F242 HydrophobicContact SD-CE1 4.09Å; M240-F242 HydrophobicContact SD-CE2 4.12Å; M240-F242 HydrophobicContact SD-CZ 3.42Å; M240-F242 WeakPolarHBondContact SD-CZ 3.47Å; M240-I243 HydrophobicContact CB-CD1 3.74Å; M240-I243 HydrophobicContact CB-CG1 4.04Å; M240-I243 HydrophobicContact CE-CD1 3.35Å; M240-I243 HydrophobicContact CG-CD1 3.82Å; M240-I243 PolarHBondContact O-N 2.77Å; M240-I243 HydrophobicContact SD-CD1 3.54Å; M240-I243 VanDerWaalsContact SD-CD1 3.54Å; M240-I243 HydrophobicContact SD-CG1 4.44Å; M240-F248 HydrophobicContact CE-CD2 3.55Å; M240-F248 HydrophobicContact CE-CE2 3.57Å; M240-F248 HydrophobicContact CE-CG 4.18Å; M240-F248 HydrophobicContact CE-CZ 4.26Å
241	C	67.4	Low	74.5	Confident	97 Å²	97	82.9 Å²	82.9	66%	0.655	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-39.4	-172.5	-171.3	0	0	0	0	114.1
242	F	67.7	Low	74.5	Confident	12 Å²	12	82.9 Å²	82.9	5%	0.053	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-26.2	-176.4	52.5	-85.2	0	0	0	113.4	W59 Y97 F102 L105 P117 M240 G244 R246 F251	W59-F242 HydrophobicContact CB-CB 4.1Å; W59-F242 HydrophobicContact CD2-CB 3.5Å; W59-F242 VanDerWaalsContact CD2-CB 3.5Å; W59-F242 HydrophobicContact CD2-CG 4.42Å; W59-F242 HydrophobicContact CE3-CB 3.72Å; W59-F242 HydrophobicContact CE3-CG 4.26Å; W59-F242 HydrophobicContact CG-CB 3.67Å; W59-F242 HydrophobicContact CZ3-CB 4.36Å; W59-F242 HydrophobicContact CZ3-CG 4.48Å; Y97-F242 AromaticContact CE1-CD1 3.78Å; Y97-F242 HydrophobicContact CE1-CD1 3.78Å; Y97-F242 HydrophobicContact CE1-CE1 4.24Å; Y97-F242 HydrophobicContact CE1-CG 4.4Å; Y97-F242 AromaticContact CZ-CD1 3.72Å; Y97-F242 WeakPolarHBondContact OH-CD1 3.46Å; Y97-F242 WeakPolarHBondContact OH-CE1 3.49Å; F102-F242 HydrophobicContact CD2-CD2 4.48Å; F102-F242 HydrophobicContact CD2-CE2 4.13Å; F102-F242 HydrophobicContact CD2-CZ 4.33Å; F102-F242 HydrophobicContact CE2-CD2 4.27Å; F102-F242 AromaticContact CE2-CE2 3.89Å; F102-F242 HydrophobicContact CE2-CE2 3.89Å; F102-F242 HydrophobicContact CE2-CZ 4.46Å; L105-F242 HydrophobicContact CD2-CE2 4.12Å; L105-F242 HydrophobicContact CD2-CZ 3.65Å; P117-F242 HydrophobicContact CB-CE1 4.17Å; P117-F242 HydrophobicContact CG-CE1 4.1Å; P117-F242 HydrophobicContact CG-CZ 4.3Å; M240-F242 HydrophobicContact CB-CD1 4.15Å; M240-F242 HydrophobicContact CB-CE1 3.65Å; M240-F242 HydrophobicContact CB-CE2 4.41Å; M240-F242 HydrophobicContact CB-CZ 3.8Å; M240-F242 HydrophobicContact CG-CE1 4.38Å; M240-F242 HydrophobicContact CG-CZ 4.22Å; M240-F242 PolarHBondContact O-N 3.28Å; M240-F242 VanDerWaalsContact O-N 3.09Å; M240-F242 HydrophobicContact SD-CE1 4.09Å; M240-F242 HydrophobicContact SD-CE2 4.12Å; M240-F242 HydrophobicContact SD-CZ 3.42Å; M240-F242 WeakPolarHBondContact SD-CZ 3.47Å; F242-G244 VanDerWaalsContact C-N 3.33Å; F242-R246 PolarHBondContact O-NH2 3.45Å; F242-F251 AromaticContact CD2-CE1 3.84Å; F242-F251 HydrophobicContact CD2-CE1 3.84Å; F242-F251 HydrophobicContact CD2-CE2 4.38Å; F242-F251 AromaticContact CD2-CZ 3.57Å; F242-F251 HydrophobicContact CD2-CZ 3.57Å; F242-F251 HydrophobicContact CE2-CD1 4.42Å; F242-F251 AromaticContact CE2-CE1 3.5Å; F242-F251 HydrophobicContact CE2-CE1 3.5Å; F242-F251 VanDerWaalsContact CE2-CE1 3.5Å; F242-F251 AromaticContact CE2-CZ 3.71Å; F242-F251 HydrophobicContact CE2-CZ 3.71Å
243	I	61.2	Low	74.9	Confident	13 Å²	13	81.5 Å²	81.5	7%	0.067	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-35.5	-179.4	-62.6	173.1	0	0	0	110.7	M240 K245 R246 F248 F251	M240-I243 HydrophobicContact CB-CD1 3.74Å; M240-I243 HydrophobicContact CB-CG1 4.04Å; M240-I243 HydrophobicContact CE-CD1 3.35Å; M240-I243 HydrophobicContact CG-CD1 3.82Å; M240-I243 PolarHBondContact O-N 2.77Å; M240-I243 HydrophobicContact SD-CD1 3.54Å; M240-I243 VanDerWaalsContact SD-CD1 3.54Å; M240-I243 HydrophobicContact SD-CG1 4.44Å; I243-K245 PolarHBondContact O-N 3.13Å; I243-R246 HydrophobicContact CG2-CB 3.77Å; I243-R246 WeakPolarHBondContact CG2-O 3.25Å; I243-R246 WeakPolarHBondContact O-CB 3.39Å; I243-R246 VanDerWaalsContact O-CG 3.32Å; I243-R246 WeakPolarHBondContact O-CG 3.37Å; I243-R246 PolarHBondContact O-N 3.38Å; I243-R246 PolarHBondContact O-NE 2.78Å; I243-F248 HydrophobicContact CD1-CB 4.37Å; I243-F248 HydrophobicContact CD1-CD2 3.39Å; I243-F248 HydrophobicContact CD1-CE2 4.14Å; I243-F248 HydrophobicContact CD1-CG 4.27Å; I243-F248 HydrophobicContact CG1-CD2 4.44Å; I243-F251 HydrophobicContact CG1-CD1 4.09Å; I243-F251 HydrophobicContact CG1-CE1 4.34Å; I243-F251 HydrophobicContact CG1-CG 4.45Å
244	G	69.3	Low	75.4	Confident	34 Å²	34	82.8 Å²	82.8	35%	0.351	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.3	-125.6	-172.7	0	0	0	0	0	111.3	F242	F242-G244 VanDerWaalsContact C-N 3.33Å
245	K	67.1	Low	75.9	Confident	219 Å²	219	83 Å²	83	95%	0.952	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	3.3	-178.3	-65.8	-180	-178.4	172.2	0	114.3	I243	I243-K245 PolarHBondContact O-N 3.13Å
246	R	72.4	Confident	76.6	Confident	62 Å²	62	72.9 Å²	72.9	23%	0.234	39%	0.385	C	S	.	.	S	Bend	trans	-69.7	157.5	-176.2	-64.1	-179.8	-77.9	-168.1	-0.6	112.3	E64 F242 I243 F251	E64-R246 IonicContact OE1-CZ 3.16Å; E64-R246 IonicContact OE1-NH1 3.03Å; E64-R246 PolarHBondContact OE1-NH1 3.24Å; E64-R246 IonicContact OE1-NH2 2.72Å; E64-R246 IonicContact OE2-CZ 2.65Å; E64-R246 IonicContact OE2-NH1 3.36Å; E64-R246 PolarHBondContact OE2-NH1 3Å; E64-R246 IonicContact OE2-NH2 2.85Å; E64-R246 PolarHBondContact OE2-NH2 3.48Å; E64-R246 VanDerWaalsContact OE2-NH2 3.15Å; F242-R246 PolarHBondContact O-NH2 3.45Å; I243-R246 HydrophobicContact CG2-CB 3.77Å; I243-R246 WeakPolarHBondContact CG2-O 3.25Å; I243-R246 WeakPolarHBondContact O-CB 3.39Å; I243-R246 VanDerWaalsContact O-CG 3.32Å; I243-R246 WeakPolarHBondContact O-CG 3.37Å; I243-R246 PolarHBondContact O-N 3.38Å; I243-R246 PolarHBondContact O-NE 2.78Å; R246-F251 VanDerWaalsContact CZ-CE2 3.48Å; R246-F251 VanDerWaalsContact NH2-CD2 3.3Å
247	R	79.5	Confident	77.6	Confident	173 Å²	173	76.9 Å²	76.9	65%	0.653	40%	0.404	S	S	*	.			trans	-74.5	127.5	163.9	-73.3	-178.8	166.9	-168.4	-1.1	109	S249 E250 F251	R247-S249 VanDerWaalsContact C-N 3.3Å; R247-S249 PolarHBondContact O-N 2.96Å; R247-E250 HydrophobicContact CB-CB 4.44Å; R247-E250 HydrophobicContact CB-CG 4.28Å; R247-E250 VanDerWaalsContact CD-OE1 3.29Å; R247-E250 WeakPolarHBondContact CD-OE1 3.49Å; R247-E250 PolarHBondContact O-N 3.04Å; R247-F251 PolarHBondContact O-N 2.82Å; R247-F251 VanDerWaalsContact O-N 3.12Å
248	F	81.8	Confident	78.8	Confident	54 Å²	54	74.5 Å²	74.5	24%	0.237	39%	0.386	C	S	.	.	H	α-helix	trans	-59.6	-38.9	-176.6	175.9	-109.7	0	0	0	113	Y109 M240 I243 E250 F251 I252	Y109-F248 HydrophobicContact CD1-CE1 4.49Å; Y109-F248 HydrophobicContact CD1-CZ 4.34Å; Y109-F248 HydrophobicContact CD2-CZ 4.01Å; Y109-F248 AromaticContact CE1-CE1 3.71Å; Y109-F248 HydrophobicContact CE1-CE1 3.71Å; Y109-F248 AromaticContact CE1-CZ 3.67Å; Y109-F248 HydrophobicContact CE1-CZ 3.67Å; Y109-F248 HydrophobicContact CE2-CE1 4.17Å; Y109-F248 AromaticContact CE2-CE2 3.97Å; Y109-F248 HydrophobicContact CE2-CE2 3.97Å; Y109-F248 AromaticContact CE2-CZ 3.28Å; Y109-F248 HydrophobicContact CE2-CZ 3.28Å; Y109-F248 AromaticContact CZ-CE1 3.53Å; Y109-F248 AromaticContact CZ-CZ 3.09Å; Y109-F248 WeakPolarHBondContact OH-CE1 3.36Å; Y109-F248 WeakPolarHBondContact OH-CZ 3.5Å; M240-F248 HydrophobicContact CE-CD2 3.55Å; M240-F248 HydrophobicContact CE-CE2 3.57Å; M240-F248 HydrophobicContact CE-CG 4.18Å; M240-F248 HydrophobicContact CE-CZ 4.26Å; I243-F248 HydrophobicContact CD1-CB 4.37Å; I243-F248 HydrophobicContact CD1-CD2 3.39Å; I243-F248 HydrophobicContact CD1-CE2 4.14Å; I243-F248 HydrophobicContact CD1-CG 4.27Å; I243-F248 HydrophobicContact CG1-CD2 4.44Å; F248-E250 PolarHBondContact O-N 3.44Å; F248-F251 HydrophobicContact CD2-CD1 4.18Å; F248-F251 HydrophobicContact CE2-CD1 4.18Å; F248-F251 WeakPolarHBondContact O-CB 3.34Å; F248-F251 PolarHBondContact O-N 2.82Å; F248-I252 HydrophobicContact CE1-CB 4.36Å; F248-I252 HydrophobicContact CE1-CG2 4.3Å; F248-I252 HydrophobicContact CE2-CB 4.12Å; F248-I252 HydrophobicContact CE2-CD1 4.32Å; F248-I252 HydrophobicContact CZ-CB 3.84Å; F248-I252 HydrophobicContact CZ-CD1 4.06Å; F248-I252 HydrophobicContact CZ-CG1 4Å; F248-I252 HydrophobicContact CZ-CG2 4.28Å; F248-I252 WeakPolarHBondContact O-CG2 3.26Å; F248-I252 PolarHBondContact O-N 3.48Å
249	S	83.6	Confident	80.2	Confident	51 Å²	51	71.8 Å²	71.8	36%	0.357	37%	0.37	S	S	.	.	H	α-helix	trans	-60	-46	178.5	55.6	0	0	0	0	112.5	R247 F251 I252 D253	R247-S249 VanDerWaalsContact C-N 3.3Å; R247-S249 PolarHBondContact O-N 2.96Å; S249-F251 VanDerWaalsContact C-N 3.28Å; S249-F251 PolarHBondContact O-N 3.4Å; S249-I252 VanDerWaalsContact O-CG2 3.29Å; S249-I252 WeakPolarHBondContact O-CG2 3.47Å; S249-I252 PolarHBondContact O-N 2.76Å; S249-D253 PolarHBondContact O-N 3.27Å
250	E	84.9	Confident	81.6	Confident	114 Å²	114	73.4 Å²	73.4	53%	0.533	37%	0.368	S	S	.	.	H	α-helix	trans	-68.1	-32.4	178.3	-66.8	165.4	-161.1	0	0	111.6	R247 F248 N254	R247-E250 HydrophobicContact CB-CB 4.44Å; R247-E250 HydrophobicContact CB-CG 4.28Å; R247-E250 VanDerWaalsContact CD-OE1 3.29Å; R247-E250 WeakPolarHBondContact CD-OE1 3.49Å; R247-E250 PolarHBondContact O-N 3.04Å; F248-E250 PolarHBondContact O-N 3.44Å; E250-N254 PolarHBondContact O-ND2 3.4Å
251	F	86.2	Confident	83	Confident	2 Å²	2	72.5 Å²	72.5	1%	0.009	37%	0.367	C	S	.	.	H	α-helix	trans	-68.2	-47.6	177.1	168.8	-100.7	0	0	0	112.2	W59 F102 F242 I243 R246 R247 F248 S249 D253 N254 Y255	W59-F251 HydrophobicContact CH2-CZ 4.26Å; W59-F251 HydrophobicContact CZ2-CE2 4.12Å; W59-F251 HydrophobicContact CZ2-CZ 4.09Å; F102-F251 AromaticContact CE2-CE1 3.76Å; F102-F251 HydrophobicContact CE2-CE1 3.76Å; F102-F251 AromaticContact CE2-CZ 3.56Å; F102-F251 HydrophobicContact CE2-CZ 3.56Å; F102-F251 HydrophobicContact CZ-CE1 4.1Å; F102-F251 AromaticContact CZ-CZ 3.74Å; F102-F251 HydrophobicContact CZ-CZ 3.74Å; F242-F251 AromaticContact CD2-CE1 3.84Å; F242-F251 HydrophobicContact CD2-CE1 3.84Å; F242-F251 HydrophobicContact CD2-CE2 4.38Å; F242-F251 AromaticContact CD2-CZ 3.57Å; F242-F251 HydrophobicContact CD2-CZ 3.57Å; F242-F251 HydrophobicContact CE2-CD1 4.42Å; F242-F251 AromaticContact CE2-CE1 3.5Å; F242-F251 HydrophobicContact CE2-CE1 3.5Å; F242-F251 VanDerWaalsContact CE2-CE1 3.5Å; F242-F251 AromaticContact CE2-CZ 3.71Å; F242-F251 HydrophobicContact CE2-CZ 3.71Å; I243-F251 HydrophobicContact CG1-CD1 4.09Å; I243-F251 HydrophobicContact CG1-CE1 4.34Å; I243-F251 HydrophobicContact CG1-CG 4.45Å; R246-F251 VanDerWaalsContact CZ-CE2 3.48Å; R246-F251 VanDerWaalsContact NH2-CD2 3.3Å; R247-F251 PolarHBondContact O-N 2.82Å; R247-F251 VanDerWaalsContact O-N 3.12Å; F248-F251 HydrophobicContact CD2-CD1 4.18Å; F248-F251 HydrophobicContact CE2-CD1 4.18Å; F248-F251 WeakPolarHBondContact O-CB 3.34Å; F248-F251 PolarHBondContact O-N 2.82Å; S249-F251 VanDerWaalsContact C-N 3.28Å; S249-F251 PolarHBondContact O-N 3.4Å; F251-D253 VanDerWaalsContact C-N 3.28Å; F251-D253 PolarHBondContact O-N 3.45Å; F251-N254 PolarHBondContact O-N 3.27Å; F251-N254 PolarHBondContact O-ND2 3.15Å; F251-Y255 HydrophobicContact CD2-CE2 4.13Å; F251-Y255 HydrophobicContact CE1-CD2 4.44Å; F251-Y255 HydrophobicContact CE1-CE2 4.21Å; F251-Y255 HydrophobicContact CE2-CD2 4.42Å; F251-Y255 AromaticContact CE2-CE2 3.5Å; F251-Y255 HydrophobicContact CE2-CE2 3.5Å; F251-Y255 VanDerWaalsContact CE2-CE2 3.5Å; F251-Y255 HydrophobicContact CZ-CD2 4.2Å; F251-Y255 AromaticContact CZ-CE2 3.55Å; F251-Y255 HydrophobicContact CZ-CE2 3.55Å; F251-Y255 WeakPolarHBondContact O-CD2 3.24Å
252	I	88.9	Confident	84.4	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-68.9	-29.6	-174	-165	66.8	0	0	0	112.1	I106 Y109 F248 S249 N254 Y255 L256	I106-I252 HydrophobicContact CD1-CD1 3.37Å; Y109-I252 HydrophobicContact CD2-CD1 3.78Å; Y109-I252 HydrophobicContact CD2-CG1 4.4Å; Y109-I252 HydrophobicContact CE2-CD1 4.33Å; Y109-I252 HydrophobicContact CG-CD1 4.32Å; F248-I252 HydrophobicContact CE1-CB 4.36Å; F248-I252 HydrophobicContact CE1-CG2 4.3Å; F248-I252 HydrophobicContact CE2-CB 4.12Å; F248-I252 HydrophobicContact CE2-CD1 4.32Å; F248-I252 HydrophobicContact CZ-CB 3.84Å; F248-I252 HydrophobicContact CZ-CD1 4.06Å; F248-I252 HydrophobicContact CZ-CG1 4Å; F248-I252 HydrophobicContact CZ-CG2 4.28Å; F248-I252 WeakPolarHBondContact O-CG2 3.26Å; F248-I252 PolarHBondContact O-N 3.48Å; S249-I252 VanDerWaalsContact O-CG2 3.29Å; S249-I252 WeakPolarHBondContact O-CG2 3.47Å; S249-I252 PolarHBondContact O-N 2.76Å; I252-N254 PolarHBondContact O-N 2.92Å; I252-Y255 PolarHBondContact O-N 3.45Å; I252-L256 HydrophobicContact CD1-CD1 4.2Å; I252-L256 HydrophobicContact CG1-CD1 3.98Å; I252-L256 HydrophobicContact CG1-CG 4.47Å; I252-L256 PolarHBondContact O-N 2.82Å
253	D	90.5	Very high	85.8	Confident	58 Å²	58	70 Å²	70	31%	0.31	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-16.4	177.3	-76.4	-12.4	0	0	0	113.9	S249 F251 Y255 P258 H279 H280	S249-D253 PolarHBondContact O-N 3.27Å; F251-D253 VanDerWaalsContact C-N 3.28Å; F251-D253 PolarHBondContact O-N 3.45Å; D253-Y255 PolarHBondContact O-N 2.86Å; D253-P258 HydrophobicContact CB-CG 4.39Å; D253-P258 WeakPolarHBondContact OD1-CG 3.44Å; D253-H279 IonicContact OD1-CD2 3.97Å; D253-H279 IonicContact OD1-CE1 3.6Å; D253-H279 IonicContact OD1-NE2 2.84Å; D253-H279 PolarHBondContact OD1-NE2 3.31Å; D253-H280 IonicContact OD1-CE1 3.91Å; D253-H280 PolarHBondContact OD1-CE1 3.46Å; D253-H280 IonicContact OD1-NE2 2.71Å; D253-H280 PolarHBondContact OD1-NE2 3.36Å; D253-H280 IonicContact OD2-CE1 3.93Å; D253-H280 PolarHBondContact OD2-CE1 2.78Å; D253-H280 IonicContact OD2-NE2 2.86Å; D253-H280 PolarHBondContact OD2-NE2 3.35Å
254	N	89.4	Confident	87.6	Confident	114 Å²	114	70.9 Å²	70.9	61%	0.61	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-15	171.6	-62.1	-49	0	0	0	113	E250 F251 I252	E250-N254 PolarHBondContact O-ND2 3.4Å; F251-N254 PolarHBondContact O-N 3.27Å; F251-N254 PolarHBondContact O-ND2 3.15Å; I252-N254 PolarHBondContact O-N 2.92Å
255	Y	91	Very high	88.9	Confident	69 Å²	69	70.1 Å²	70.1	27%	0.271	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123	-23.4	-173.9	-58.2	-74.5	0	0	0	113.5	E64 W98 F102 I106 F251 I252 D253	E64-Y255 PolarHBondContact OE1-OH 2.71Å; W98-Y255 HydrophobicContact CH2-CD1 4.18Å; W98-Y255 AromaticContact CH2-CE1 3.61Å; W98-Y255 HydrophobicContact CH2-CE1 3.61Å; W98-Y255 HydrophobicContact CZ3-CE1 4.17Å; F102-Y255 AromaticContact CE1-CD1 3.89Å; F102-Y255 HydrophobicContact CE1-CD1 3.89Å; F102-Y255 HydrophobicContact CE1-CD2 4.26Å; F102-Y255 AromaticContact CE1-CE1 3.9Å; F102-Y255 HydrophobicContact CE1-CE1 3.9Å; F102-Y255 HydrophobicContact CE1-CE2 4.23Å; F102-Y255 HydrophobicContact CE1-CG 4.05Å; F102-Y255 HydrophobicContact CZ-CD1 4.16Å; F102-Y255 AromaticContact CZ-CD2 3.67Å; F102-Y255 HydrophobicContact CZ-CD2 3.67Å; F102-Y255 HydrophobicContact CZ-CE1 4.16Å; F102-Y255 AromaticContact CZ-CE2 3.63Å; F102-Y255 HydrophobicContact CZ-CE2 3.63Å; F102-Y255 AromaticContact CZ-CG 3.9Å; F102-Y255 HydrophobicContact CZ-CG 3.9Å; F102-Y255 AromaticContact CZ-CZ 3.85Å; I106-Y255 HydrophobicContact CD1-CG 4.25Å; F251-Y255 HydrophobicContact CD2-CE2 4.13Å; F251-Y255 HydrophobicContact CE1-CD2 4.44Å; F251-Y255 HydrophobicContact CE1-CE2 4.21Å; F251-Y255 HydrophobicContact CE2-CD2 4.42Å; F251-Y255 AromaticContact CE2-CE2 3.5Å; F251-Y255 HydrophobicContact CE2-CE2 3.5Å; F251-Y255 VanDerWaalsContact CE2-CE2 3.5Å; F251-Y255 HydrophobicContact CZ-CD2 4.2Å; F251-Y255 AromaticContact CZ-CE2 3.55Å; F251-Y255 HydrophobicContact CZ-CE2 3.55Å; F251-Y255 WeakPolarHBondContact O-CD2 3.24Å; I252-Y255 PolarHBondContact O-N 3.45Å; D253-Y255 PolarHBondContact O-N 2.86Å
256	L	91.7	Very high	90.2	Very high	18 Å²	18	60.2 Å²	60.2	9%	0.094	30%	0.297	C	S	.	.	S	Bend	trans	-122.1	124	176.4	-70.5	179.2	0	0	0	109.5	I106 E110 I252 P258 H279	I106-L256 HydrophobicContact CG2-CD1 4.45Å; I106-L256 HydrophobicContact CG2-CD2 3.6Å; I106-L256 HydrophobicContact CG2-CG 3.96Å; E110-L256 HydrophobicContact CB-CD2 4.06Å; E110-L256 HydrophobicContact CG-CD2 4.46Å; I252-L256 HydrophobicContact CD1-CD1 4.2Å; I252-L256 HydrophobicContact CG1-CD1 3.98Å; I252-L256 HydrophobicContact CG1-CG 4.47Å; I252-L256 PolarHBondContact O-N 2.82Å; L256-P258 VanDerWaalsContact O-CD 3.32Å; L256-P258 WeakPolarHBondContact O-CD 3.42Å; L256-H279 HydrophobicContact CD1-CB 4.22Å
257	E	91.6	Very high	91.3	Very high	166 Å²	166	62.9 Å²	62.9	78%	0.776	31%	0.312	S	S	*	.			trans	-65.3	122.2	173.1	-173.2	176.7	-176	0	0	109.6	K259	E257-K259 PolarHBondContact O-N 2.93Å
258	P	92	Very high	92	Very high	50 Å²	50	59 Å²	59	33%	0.325	31%	0.307	S	S	.	.			trans	-62.3	130	177.6	-20.9	32	0	0	0	111.3	D253 L256 P260 T276	D253-P258 HydrophobicContact CB-CG 4.39Å; D253-P258 WeakPolarHBondContact OD1-CG 3.44Å; L256-P258 VanDerWaalsContact O-CD 3.32Å; L256-P258 WeakPolarHBondContact O-CD 3.42Å; P258-P260 WeakPolarHBondContact O-CD 3.06Å; P258-T276 CarbonylContact C-O 3.56Å; P258-T276 VanDerWaalsContact CB-O 3.24Å; P258-T276 WeakPolarHBondContact CB-O 3.28Å
259	K	93.8	Very high	92.6	Very high	104 Å²	104	60.3 Å²	60.3	45%	0.452	32%	0.317	S	S	.	.			trans	-109.8	100.3	176.1	-68.9	175	-174.7	169.4	0	109	E257 T276 G277 Q306	E257-K259 PolarHBondContact O-N 2.93Å; K259-T276 CarbonylContact C-O 3.31Å; K259-T276 PolarHBondContact N-O 3.01Å; K259-G277 VanDerWaalsContact O-CA 3.24Å; K259-G277 WeakPolarHBondContact O-CA 3.27Å; K259-Q306 HydrophobicContact CB-CG 4.09Å; K259-Q306 PolarHBondContact O-OE1 2.97Å
260	P	95.9	Very high	93.2	Very high	100 Å²	100	62.6 Å²	62.6	65%	0.649	32%	0.322	S	S	*	.			trans	-57.9	148	-179.8	-25	34.5	0	0	0	112.3	P258 H275	P258-P260 WeakPolarHBondContact O-CD 3.06Å; P260-H275 VanDerWaalsContact CA-O 3.23Å; P260-H275 WeakPolarHBondContact CA-O 3.32Å
261	G	97	Very high	93.8	Very high	12 Å²	12	60.8 Å²	60.8	12%	0.124	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	-165.8	-176.6	0	0	0	0	0	111.6	E274 H275 Q306	G261-E274 CarbonylContact O-C 3.57Å; G261-E274 WeakPolarHBondContact O-CA 3.29Å; G261-H275 VanDerWaalsContact CA-CE1 3.45Å; G261-H275 WeakPolarHBondContact CA-CE1 3.4Å; G261-H275 PolarHBondContact N-O 2.79Å; G261-H275 PolarHBondContact O-N 3.25Å; G261-Q306 CarbonylContact C-O 3.5Å; G261-Q306 WeakPolarHBondContact CA-O 3.45Å
262	V	97.3	Very high	94.3	Very high	39 Å²	39	60.8 Å²	60.8	24%	0.236	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	143.6	-174.8	-65	0	0	0	0	113.1	K264 V271 E273 E274 H275 Q306 I307 I308	V262-K264 HydrophobicContact CG2-CG 4.3Å; V262-V271 HydrophobicContact CB-CG1 4.08Å; V262-V271 HydrophobicContact CG1-CG1 4.06Å; V262-E273 WeakPolarHBondContact CA-O 2.98Å; V262-E274 HydrophobicContact CG1-CG 4.34Å; V262-H275 PolarHBondContact N-NE2 3.41Å; V262-Q306 PolarHBondContact N-O 2.96Å; V262-I307 HydrophobicContact CG2-CG1 4.14Å; V262-I307 WeakPolarHBondContact O-CA 3.49Å; V262-I308 PolarHBondContact O-N 3.31Å
263	Y	97.8	Very high	94.7	Very high	18 Å²	18	63.1 Å²	63.1	7%	0.071	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	132	160.6	-56.7	-67.8	0	0	0	109.8	L272 E273 E274 H275 F281 I287 I289 I308 V310	Y263-L272 PolarHBondContact O-N 2.85Å; Y263-E273 HydrophobicContact CD2-CB 3.95Å; Y263-E273 WeakPolarHBondContact CD2-O 3.4Å; Y263-E273 PolarHBondContact N-O 3.01Å; Y263-E274 WeakPolarHBondContact CE2-O 3.39Å; Y263-H275 HydrophobicContact CD2-CB 4.44Å; Y263-H275 HydrophobicContact CE1-CB 3.91Å; Y263-H275 HydrophobicContact CE2-CB 3.73Å; Y263-H275 VanDerWaalsContact CZ-CB 3.44Å; Y263-H275 WeakPolarHBondContact OH-CB 3.22Å; Y263-F281 HydrophobicContact CE1-CE1 4.2Å; Y263-F281 HydrophobicContact CE1-CZ 4.15Å; Y263-F281 AromaticContact CZ-CZ 3.93Å; Y263-F281 VanDerWaalsContact OH-CE1 3.28Å; Y263-F281 WeakPolarHBondContact OH-CE1 3.23Å; Y263-F281 WeakPolarHBondContact OH-CZ 3.45Å; Y263-I287 HydrophobicContact CD1-CD1 4.18Å; Y263-I287 HydrophobicContact CE1-CD1 3.57Å; Y263-I287 HydrophobicContact CE1-CG2 4.3Å; Y263-I287 HydrophobicContact CE2-CG2 4.45Å; Y263-I289 HydrophobicContact CD2-CD1 4.27Å; Y263-I289 HydrophobicContact CD2-CG1 4.44Å; Y263-I289 HydrophobicContact CG-CD1 4.07Å; Y263-I308 CarbonylContact C-O 3.54Å; Y263-I308 VanDerWaalsContact CA-O 3.29Å; Y263-I308 WeakPolarHBondContact CA-O 3.32Å; Y263-I308 HydrophobicContact CD1-CB 3.78Å; Y263-I308 HydrophobicContact CD1-CD1 4.41Å; Y263-I308 HydrophobicContact CD1-CG2 3.91Å; Y263-I308 HydrophobicContact CE1-CB 4.16Å; Y263-I308 HydrophobicContact CE1-CD1 3.94Å; Y263-I308 HydrophobicContact CE1-CG2 4.17Å; Y263-V310 HydrophobicContact CD1-CG1 4.11Å
264	K	97.3	Very high	94.9	Very high	32 Å²	32	68 Å²	68	14%	0.139	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	139.1	170	-74.2	-164.2	177.7	-170.3	0	111	V262 L266 D269 Q270 V271 I307 I308 Y309 V310	V262-K264 HydrophobicContact CG2-CG 4.3Å; K264-L266 PolarHBondContact O-N 3.26Å; K264-D269 WeakPolarHBondContact CD-OD1 3.41Å; K264-D269 VanDerWaalsContact NZ-CG 3.3Å; K264-D269 IonicContact NZ-OD1 3.05Å; K264-D269 PolarHBondContact NZ-OD1 2.82Å; K264-D269 IonicContact NZ-OD2 2.84Å; K264-D269 PolarHBondContact NZ-OD2 3Å; K264-Q270 CarbonylContact C-O 3.57Å; K264-Q270 VanDerWaalsContact CA-O 3.32Å; K264-Q270 WeakPolarHBondContact CA-O 3.35Å; K264-V271 HydrophobicContact CD-CG2 4.47Å; K264-V271 HydrophobicContact CG-CG2 4.09Å; K264-I307 HydrophobicContact CB-CG2 4Å; K264-I307 HydrophobicContact CD-CD1 4.49Å; K264-I307 HydrophobicContact CD-CG2 3.92Å; K264-I307 HydrophobicContact CG-CG2 3.83Å; K264-I308 PolarHBondContact N-O 2.87Å; K264-Y309 HydrophobicContact CB-CD1 3.99Å; K264-Y309 HydrophobicContact CB-CE1 4.1Å; K264-Y309 HydrophobicContact CD-CE1 4.2Å; K264-Y309 CarbonylContact O-C 3.38Å; K264-Y309 VanDerWaalsContact O-CA 3.28Å; K264-Y309 WeakPolarHBondContact O-CA 3.38Å; K264-V310 WeakPolarHBondContact O-CG2 3.37Å; K264-V310 PolarHBondContact O-N 3.44Å
265	D	96.8	Very high	95.2	Very high	18 Å²	18	63 Å²	63	10%	0.096	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	129.3	167.1	-178.1	-85.9	0	0	0	109.7	E267 T268 D269 Q270 L272	D265-E267 VanDerWaalsContact C-N 3.32Å; D265-E267 PolarHBondContact O-N 2.85Å; D265-E267 PolarHBondContact OD1-N 3.17Å; D265-E267 VanDerWaalsContact OD1-N 3.14Å; D265-T268 VanDerWaalsContact CB-OG1 3.27Å; D265-T268 WeakPolarHBondContact CB-OG1 3.2Å; D265-T268 VanDerWaalsContact CG-OG1 3.28Å; D265-T268 PolarHBondContact OD1-N 2.9Å; D265-T268 PolarHBondContact OD1-OG1 3.45Å; D265-D269 VanDerWaalsContact O-CA 3.26Å; D265-D269 WeakPolarHBondContact O-CA 3.26Å; D265-D269 PolarHBondContact O-N 2.81Å; D265-Q270 HydrophobicContact CB-CB 4.39Å; D265-Q270 PolarHBondContact N-O 3.29Å; D265-L272 HydrophobicContact CB-CD1 4.22Å; D265-L272 HydrophobicContact CB-CD2 4.38Å; D265-L272 HydrophobicContact CB-CG 4.42Å
266	L	96.1	Very high	95.3	Very high	11 Å²	11	63.6 Å²	63.6	6%	0.058	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-35.3	-172.2	-178.2	71.6	0	0	0	113.3	K264 S299 Y309 V310 V311 S318 L381 W445	K264-L266 PolarHBondContact O-N 3.26Å; L266-S299 WeakPolarHBondContact CD2-OG 3.43Å; L266-Y309 HydrophobicContact CD1-CD1 4.13Å; L266-Y309 HydrophobicContact CD1-CG 4.07Å; L266-V310 PolarHBondContact N-O 2.9Å; L266-V311 HydrophobicContact CB-CG1 3.62Å; L266-V311 HydrophobicContact CD2-CG1 3.61Å; L266-V311 HydrophobicContact CG-CG1 4.28Å; L266-S318 VanDerWaalsContact CD2-CB 3.46Å; L266-S318 WeakPolarHBondContact CD2-OG 3.34Å; L266-L381 HydrophobicContact CD1-CD1 3.65Å; L266-L381 HydrophobicContact CD1-CD2 4.15Å; L266-W445 HydrophobicContact CD2-CG 4.46Å
267	E	93.8	Very high	95.4	Very high	117 Å²	117	62.7 Å²	62.7	55%	0.547	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-37.7	-172.6	-63.4	-173.3	110.3	0	0	111.7	D265 H316 W445	D265-E267 VanDerWaalsContact C-N 3.32Å; D265-E267 PolarHBondContact O-N 2.85Å; D265-E267 PolarHBondContact OD1-N 3.17Å; D265-E267 VanDerWaalsContact OD1-N 3.14Å; E267-H316 IonicContact OE1-NE2 3.11Å; E267-W445 HydrophobicContact CG-CH2 4.13Å; E267-W445 HydrophobicContact CG-CZ2 4.31Å
268	T	94.5	Very high	95.5	Very high	92 Å²	92	55 Å²	55	56%	0.564	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-11.6	-174.6	61.9	0	0	0	0	114	D265 Q270	D265-T268 VanDerWaalsContact CB-OG1 3.27Å; D265-T268 WeakPolarHBondContact CB-OG1 3.2Å; D265-T268 VanDerWaalsContact CG-OG1 3.28Å; D265-T268 PolarHBondContact OD1-N 2.9Å; D265-T268 PolarHBondContact OD1-OG1 3.45Å; T268-Q270 PolarHBondContact O-N 2.78Å; T268-Q270 VanDerWaalsContact O-N 3.1Å; T268-Q270 WeakPolarHBondContact OG1-CB 3.27Å; T268-Q270 PolarHBondContact OG1-N 2.95Å
269	D	94.4	Very high	95.5	Very high	81 Å²	81	53.1 Å²	53.1	43%	0.433	28%	0.281	S	S	.	.			trans	57.4	13.5	-169.1	-158.7	54.4	0	0	0	113.7	K264 D265 V271	K264-D269 WeakPolarHBondContact CD-OD1 3.41Å; K264-D269 VanDerWaalsContact NZ-CG 3.3Å; K264-D269 IonicContact NZ-OD1 3.05Å; K264-D269 PolarHBondContact NZ-OD1 2.82Å; K264-D269 IonicContact NZ-OD2 2.84Å; K264-D269 PolarHBondContact NZ-OD2 3Å; D265-D269 VanDerWaalsContact O-CA 3.26Å; D265-D269 WeakPolarHBondContact O-CA 3.26Å; D265-D269 PolarHBondContact O-N 2.81Å; D269-V271 PolarHBondContact O-N 2.97Å
270	Q	96.3	Very high	95.4	Very high	99 Å²	99	49.6 Å²	49.6	46%	0.463	27%	0.266	S	S	.	.			trans	-66.6	125.9	179.8	-177.9	177.7	28.1	0	0	110.3	K264 D265 T268 L272	K264-Q270 CarbonylContact C-O 3.57Å; K264-Q270 VanDerWaalsContact CA-O 3.32Å; K264-Q270 WeakPolarHBondContact CA-O 3.35Å; D265-Q270 HydrophobicContact CB-CB 4.39Å; D265-Q270 PolarHBondContact N-O 3.29Å; T268-Q270 PolarHBondContact O-N 2.78Å; T268-Q270 VanDerWaalsContact O-N 3.1Å; T268-Q270 WeakPolarHBondContact OG1-CB 3.27Å; T268-Q270 PolarHBondContact OG1-N 2.95Å; Q270-L272 HydrophobicContact CG-CD2 4.21Å; Q270-L272 PolarHBondContact O-N 2.87Å
271	V	97.4	Very high	95.3	Very high	77 Å²	77	46 Å²	46	47%	0.467	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	123.2	168.6	177.3	0	0	0	0	109.4	V262 K264 D269	V262-V271 HydrophobicContact CB-CG1 4.08Å; V262-V271 HydrophobicContact CG1-CG1 4.06Å; K264-V271 HydrophobicContact CD-CG2 4.47Å; K264-V271 HydrophobicContact CG-CG2 4.09Å; D269-V271 PolarHBondContact O-N 2.97Å
272	L	96.9	Very high	95.1	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	-64.1	-175.4	-57.9	176.9	0	0	0	111.7	Y263 D265 Q270 I289 F292 Y296 V310	Y263-L272 PolarHBondContact O-N 2.85Å; D265-L272 HydrophobicContact CB-CD1 4.22Å; D265-L272 HydrophobicContact CB-CD2 4.38Å; D265-L272 HydrophobicContact CB-CG 4.42Å; Q270-L272 HydrophobicContact CG-CD2 4.21Å; Q270-L272 PolarHBondContact O-N 2.87Å; L272-I289 HydrophobicContact CB-CD1 4.17Å; L272-I289 HydrophobicContact CB-CG2 4.06Å; L272-I289 HydrophobicContact CD1-CD1 3.58Å; L272-F292 HydrophobicContact CB-CD2 3.92Å; L272-F292 HydrophobicContact CB-CE2 4.08Å; L272-F292 HydrophobicContact CD2-CD1 3.8Å; L272-F292 HydrophobicContact CD2-CD2 3.86Å; L272-F292 HydrophobicContact CD2-CE1 3.87Å; L272-F292 HydrophobicContact CD2-CE2 3.97Å; L272-F292 HydrophobicContact CD2-CG 3.78Å; L272-F292 HydrophobicContact CD2-CZ 3.95Å; L272-F292 HydrophobicContact CG-CD2 4.48Å; L272-F292 WeakPolarHBondContact O-CE2 3.31Å; L272-Y296 HydrophobicContact CD1-CD1 4.07Å; L272-Y296 HydrophobicContact CD1-CE1 3.5Å; L272-Y296 VanDerWaalsContact CD1-CE1 3.5Å; L272-Y296 HydrophobicContact CD1-CE2 4.34Å; L272-V310 HydrophobicContact CD1-CG2 3.58Å
273	E	96.4	Very high	95	Very high	50 Å²	50	46.7 Å²	46.7	23%	0.234	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	171	-178.1	-76.4	-174.2	173.7	0	0	110	V262 Y263 I289 K290 R291	V262-E273 WeakPolarHBondContact CA-O 2.98Å; Y263-E273 HydrophobicContact CD2-CB 3.95Å; Y263-E273 WeakPolarHBondContact CD2-O 3.4Å; Y263-E273 PolarHBondContact N-O 3.01Å; E273-I289 HydrophobicContact CB-CG2 4.23Å; E273-I289 HydrophobicContact CG-CG2 3.76Å; E273-K290 PolarHBondContact OE1-N 3.39Å; E273-K290 PolarHBondContact OE2-N 2.77Å; E273-R291 HydrophobicContact CG-CB 4.05Å; E273-R291 WeakPolarHBondContact OE1-CA 3.38Å; E273-R291 WeakPolarHBondContact OE1-CB 3.49Å; E273-R291 PolarHBondContact OE1-N 3.35Å
274	E	96.2	Very high	94.9	Very high	159 Å²	159	46.2 Å²	46.2	74%	0.743	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89.6	155.9	173.6	-67.1	175.2	-176.6	0	0	112	G261 V262 Y263	G261-E274 CarbonylContact O-C 3.57Å; G261-E274 WeakPolarHBondContact O-CA 3.29Å; V262-E274 HydrophobicContact CG1-CG 4.34Å; Y263-E274 WeakPolarHBondContact CE2-O 3.39Å
275	H	95.1	Very high	94.8	Very high	9 Å²	9	47.9 Å²	47.9	4%	0.042	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	163.6	171.2	66.9	66.9	0	0	0	111.3	P260 G261 V262 Y263 G277 F281 Q306 I308	P260-H275 VanDerWaalsContact CA-O 3.23Å; P260-H275 WeakPolarHBondContact CA-O 3.32Å; G261-H275 VanDerWaalsContact CA-CE1 3.45Å; G261-H275 WeakPolarHBondContact CA-CE1 3.4Å; G261-H275 PolarHBondContact N-O 2.79Å; G261-H275 PolarHBondContact O-N 3.25Å; V262-H275 PolarHBondContact N-NE2 3.41Å; Y263-H275 HydrophobicContact CD2-CB 4.44Å; Y263-H275 HydrophobicContact CE1-CB 3.91Å; Y263-H275 HydrophobicContact CE2-CB 3.73Å; Y263-H275 VanDerWaalsContact CZ-CB 3.44Å; Y263-H275 WeakPolarHBondContact OH-CB 3.22Å; H275-G277 PolarHBondContact ND1-N 2.75Å; H275-G277 VanDerWaalsContact ND1-N 3.18Å; H275-F281 HydrophobicContact CB-CE2 4.02Å; H275-F281 HydrophobicContact CB-CZ 4.23Å; H275-Q306 PolarHBondContact NE2-O 2.94Å; H275-I308 VanDerWaalsContact CD2-CD1 3.48Å; H275-I308 WeakPolarHBondContact CD2-CD1 3.3Å
276	T	93.6	Very high	94.8	Very high	82 Å²	82	54.2 Å²	54.2	50%	0.503	27%	0.273	S	S	.	.	S	Bend	trans	-85.8	-17.5	-176.7	53.4	0	0	0	0	114.4	P258 K259 H280	P258-T276 CarbonylContact C-O 3.56Å; P258-T276 VanDerWaalsContact CB-O 3.24Å; P258-T276 WeakPolarHBondContact CB-O 3.28Å; K259-T276 CarbonylContact C-O 3.31Å; K259-T276 PolarHBondContact N-O 3.01Å; T276-H280 PolarHBondContact OG1-CE1 3.3Å; T276-H280 PolarHBondContact OG1-ND1 3Å
277	G	93.6	Very high	94.7	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.272	C	S	.	.			trans	164.6	149	174.4	0	0	0	0	0	113.1	K259 H275 H279 H280 F281	K259-G277 VanDerWaalsContact O-CA 3.24Å; K259-G277 WeakPolarHBondContact O-CA 3.27Å; H275-G277 PolarHBondContact ND1-N 2.75Å; H275-G277 VanDerWaalsContact ND1-N 3.18Å; G277-H279 VanDerWaalsContact C-N 3.25Å; G277-H279 PolarHBondContact O-N 2.58Å; G277-H280 PolarHBondContact O-N 3.01Å; G277-F281 WeakPolarHBondContact O-CD2 3.45Å; G277-F281 VanDerWaalsContact O-CE2 3.23Å; G277-F281 WeakPolarHBondContact O-CE2 3.41Å
278	V	93.1	Very high	94.7	Very high	4 Å²	4	52.8 Å²	52.8	2%	0.024	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-63.4	-28.9	-177.5	-65.8	0	0	0	0	113.4	H280 F281 C303 I308	V278-H280 PolarHBondContact O-N 2.98Å; V278-H280 VanDerWaalsContact O-N 3.1Å; V278-F281 PolarHBondContact O-N 3.31Å; V278-F281 VanDerWaalsContact O-N 3.08Å; V278-C303 HydrophobicContact CG2-CB 4.12Å; V278-I308 HydrophobicContact CG1-CD1 4.47Å; V278-I308 HydrophobicContact CG1-CG1 4.12Å
279	H	91.3	Very high	94.7	Very high	11 Å²	11	48.4 Å²	48.4	5%	0.051	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-65.7	-12	-179.1	63.6	-65	0	0	0	113.8	D253 L256 G277 F281	D253-H279 IonicContact OD1-CD2 3.97Å; D253-H279 IonicContact OD1-CE1 3.6Å; D253-H279 IonicContact OD1-NE2 2.84Å; D253-H279 PolarHBondContact OD1-NE2 3.31Å; L256-H279 HydrophobicContact CD1-CB 4.22Å; G277-H279 VanDerWaalsContact C-N 3.25Å; G277-H279 PolarHBondContact O-N 2.58Å; H279-F281 VanDerWaalsContact C-N 3.31Å
280	H	92.4	Very high	94.4	Very high	30 Å²	30	52.9 Å²	52.9	14%	0.139	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-83.5	-2.9	174.2	-67	151.1	0	0	0	114.8	D253 T276 G277 V278	D253-H280 IonicContact OD1-CE1 3.91Å; D253-H280 PolarHBondContact OD1-CE1 3.46Å; D253-H280 IonicContact OD1-NE2 2.71Å; D253-H280 PolarHBondContact OD1-NE2 3.36Å; D253-H280 IonicContact OD2-CE1 3.93Å; D253-H280 PolarHBondContact OD2-CE1 2.78Å; D253-H280 IonicContact OD2-NE2 2.86Å; D253-H280 PolarHBondContact OD2-NE2 3.35Å; T276-H280 PolarHBondContact OG1-CE1 3.3Å; T276-H280 PolarHBondContact OG1-ND1 3Å; G277-H280 PolarHBondContact O-N 3.01Å; V278-H280 PolarHBondContact O-N 2.98Å; V278-H280 VanDerWaalsContact O-N 3.1Å
281	F	93.6	Very high	94.1	Very high	23 Å²	23	57.7 Å²	57.7	10%	0.101	28%	0.276	C	S	.	.			trans	-126.6	149.9	-169	-58.9	-83.5	0	0	0	112.6	Y263 H275 G277 V278 H279 Q285 I287 V298 M301 I308	Y263-F281 HydrophobicContact CE1-CE1 4.2Å; Y263-F281 HydrophobicContact CE1-CZ 4.15Å; Y263-F281 AromaticContact CZ-CZ 3.93Å; Y263-F281 VanDerWaalsContact OH-CE1 3.28Å; Y263-F281 WeakPolarHBondContact OH-CE1 3.23Å; Y263-F281 WeakPolarHBondContact OH-CZ 3.45Å; H275-F281 HydrophobicContact CB-CE2 4.02Å; H275-F281 HydrophobicContact CB-CZ 4.23Å; G277-F281 WeakPolarHBondContact O-CD2 3.45Å; G277-F281 VanDerWaalsContact O-CE2 3.23Å; G277-F281 WeakPolarHBondContact O-CE2 3.41Å; V278-F281 PolarHBondContact O-N 3.31Å; V278-F281 VanDerWaalsContact O-N 3.08Å; H279-F281 VanDerWaalsContact C-N 3.31Å; F281-Q285 VanDerWaalsContact CA-OE1 3.32Å; F281-I287 HydrophobicContact CD1-CD1 3.71Å; F281-I287 HydrophobicContact CD1-CG1 4.15Å; F281-I287 HydrophobicContact CE1-CD1 3.79Å; F281-I287 HydrophobicContact CE1-CG1 4.06Å; F281-V298 HydrophobicContact CB-CG2 4.3Å; F281-V298 HydrophobicContact CD1-CG2 4.31Å; F281-M301 HydrophobicContact CB-SD 3.84Å; F281-I308 HydrophobicContact CB-CD1 4Å; F281-I308 HydrophobicContact CD1-CD1 4.34Å; F281-I308 HydrophobicContact CD2-CD1 3.14Å; F281-I308 HydrophobicContact CE2-CD1 3.63Å; F281-I308 HydrophobicContact CG-CD1 3.56Å; F281-I308 HydrophobicContact CZ-CD1 4.42Å
282	T	93.4	Very high	93.8	Very high	43 Å²	43	56.1 Å²	56.1	26%	0.264	26%	0.263	S	S	.	.			trans	-130	158.5	169.6	-168.1	0	0	0	0	110.3	T114 G284 Q285 V298	T114-T282 VanDerWaalsContact OG1-CB 3.31Å; T114-T282 WeakPolarHBondContact OG1-CB 3.07Å; T114-T282 PolarHBondContact OG1-OG1 2.87Å; T282-G284 PolarHBondContact O-N 2.81Å; T282-Q285 HydrophobicContact CG2-CB 4.14Å; T282-Q285 VanDerWaalsContact N-OE1 3.07Å; T282-Q285 WeakPolarHBondContact O-CB 3.42Å; T282-Q285 PolarHBondContact O-N 3.21Å; T282-Q285 VanDerWaalsContact O-N 3.16Å; T282-V298 VanDerWaalsContact O-CB 3.3Å; T282-V298 WeakPolarHBondContact O-CB 3.48Å
283	L	94.4	Very high	93.5	Very high	23 Å²	23	62.4 Å²	62.4	12%	0.12	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	136.7	178.2	-60.2	-173.1	0	0	0	110.8	Q285 V298 M301 M321 C417 A419	L283-Q285 PolarHBondContact O-N 2.66Å; L283-V298 HydrophobicContact CD2-CG1 4.06Å; L283-M301 HydrophobicContact CD2-CE 4.03Å; L283-M301 HydrophobicContact CD2-CG 4.45Å; L283-M301 HydrophobicContact CG-CE 4.4Å; L283-M321 HydrophobicContact CD1-CE 4.25Å; L283-C417 HydrophobicContact CB-CB 4.06Å; L283-A419 HydrophobicContact CB-CB 4.43Å; L283-A419 HydrophobicContact CD1-CB 4.35Å; L283-A419 HydrophobicContact CG-CB 4.36Å
284	G	95.7	Very high	93	Very high	8 Å²	8	61.2 Å²	61.2	8%	0.082	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	-1.8	-179.2	0	0	0	0	0	115.6	T282 R286 V298 R416 C417	T282-G284 PolarHBondContact O-N 2.81Å; G284-R286 PolarHBondContact O-N 2.84Å; G284-V298 WeakPolarHBondContact CA-O 3.44Å; G284-V298 PolarHBondContact N-O 3.15Å; G284-R416 PolarHBondContact O-NH2 2.92Å; G284-C417 WeakPolarHBondContact CA-SG 3.47Å
285	Q	95.9	Very high	93	Very high	67 Å²	67	55.8 Å²	55.8	31%	0.313	28%	0.276	S	S	.	.			trans	-61	130.2	176	179.4	170.9	-22	0	0	110.5	F281 T282 L283 Y297 V298	F281-Q285 VanDerWaalsContact CA-OE1 3.32Å; T282-Q285 HydrophobicContact CG2-CB 4.14Å; T282-Q285 VanDerWaalsContact N-OE1 3.07Å; T282-Q285 WeakPolarHBondContact O-CB 3.42Å; T282-Q285 PolarHBondContact O-N 3.21Å; T282-Q285 VanDerWaalsContact O-N 3.16Å; L283-Q285 PolarHBondContact O-N 2.66Å; Q285-Y297 WeakPolarHBondContact O-CA 3.42Å; Q285-V298 HydrophobicContact CB-CG2 3.99Å; Q285-V298 PolarHBondContact O-N 3.18Å
286	R	96.8	Very high	93.1	Very high	152 Å²	152	55.5 Å²	55.5	57%	0.574	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.1	122.2	176.4	-174.2	179.4	177.9	-86.9	3.4	109.7	G284 P295 Y296 Y297	G284-R286 PolarHBondContact O-N 2.84Å; R286-P295 HydrophobicContact CG-CB 3.83Å; R286-P295 VanDerWaalsContact CZ-CB 3.49Å; R286-P295 VanDerWaalsContact NE-CB 3.3Å; R286-Y296 CarbonylContact C-O 3.57Å; R286-Y296 WeakPolarHBondContact CA-O 3.29Å; R286-Y297 HydrophobicContact CB-CD1 4.07Å; R286-Y297 HydrophobicContact CB-CE1 3.84Å; R286-Y297 HydrophobicContact CG-CD1 4.41Å; R286-Y297 HydrophobicContact CG-CE1 3.9Å
287	I	94.7	Very high	93.3	Very high	8 Å²	8	53.3 Å²	53.3	4%	0.041	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	130.3	-178.3	-58.1	169.1	0	0	0	110	Y263 F281 I289 Y296 V298 V310	Y263-I287 HydrophobicContact CD1-CD1 4.18Å; Y263-I287 HydrophobicContact CE1-CD1 3.57Å; Y263-I287 HydrophobicContact CE1-CG2 4.3Å; Y263-I287 HydrophobicContact CE2-CG2 4.45Å; F281-I287 HydrophobicContact CD1-CD1 3.71Å; F281-I287 HydrophobicContact CD1-CG1 4.15Å; F281-I287 HydrophobicContact CE1-CD1 3.79Å; F281-I287 HydrophobicContact CE1-CG1 4.06Å; I287-I289 HydrophobicContact CG2-CG1 3.97Å; I287-I289 PolarHBondContact O-N 3.2Å; I287-Y296 PolarHBondContact N-O 2.76Å; I287-Y296 PolarHBondContact O-N 2.91Å; I287-V298 HydrophobicContact CD1-CG2 3.24Å; I287-V298 HydrophobicContact CG1-CG2 4.03Å; I287-V310 HydrophobicContact CD1-CG1 4.2Å
288	P	93.7	Very high	93.5	Very high	89 Å²	89	53.3 Å²	53.3	58%	0.578	26%	0.257	S	S	*	.			trans	-85.2	85.8	172.2	34.5	-32	0	0	0	110.6	K290	P288-K290 PolarHBondContact O-N 3.42Å
289	I	93.2	Very high	93.6	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.005	26%	0.259	C	S	.	.			trans	-75.4	108.1	170.2	-59.6	-175	0	0	0	108.2	Y263 L272 E273 I287 F292 N293 G294 Y296 V310	Y263-I289 HydrophobicContact CD2-CD1 4.27Å; Y263-I289 HydrophobicContact CD2-CG1 4.44Å; Y263-I289 HydrophobicContact CG-CD1 4.07Å; L272-I289 HydrophobicContact CB-CD1 4.17Å; L272-I289 HydrophobicContact CB-CG2 4.06Å; L272-I289 HydrophobicContact CD1-CD1 3.58Å; E273-I289 HydrophobicContact CB-CG2 4.23Å; E273-I289 HydrophobicContact CG-CG2 3.76Å; I287-I289 HydrophobicContact CG2-CG1 3.97Å; I287-I289 PolarHBondContact O-N 3.2Å; I289-F292 HydrophobicContact CG2-CB 4.07Å; I289-F292 HydrophobicContact CG2-CD2 4.15Å; I289-N293 PolarHBondContact O-N 3.33Å; I289-G294 PolarHBondContact O-N 3.33Å; I289-Y296 HydrophobicContact CB-CD2 3.82Å; I289-Y296 HydrophobicContact CB-CE2 4.15Å; I289-Y296 HydrophobicContact CD1-CD1 4.29Å; I289-Y296 HydrophobicContact CD1-CD2 3.82Å; I289-Y296 HydrophobicContact CD1-CE2 4.32Å; I289-Y296 HydrophobicContact CD1-CG 3.78Å; I289-Y296 HydrophobicContact CG1-CD2 4Å; I289-Y296 HydrophobicContact CG1-CG 4.3Å; I289-V310 HydrophobicContact CD1-CG2 3.86Å
290	K	89.2	Confident	93.7	Very high	175 Å²	175	54.4 Å²	54.4	76%	0.761	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-48.5	-165.5	-69	179.2	-179.5	174.3	0	112.1	E273 P288 F292 N293	E273-K290 PolarHBondContact OE1-N 3.39Å; E273-K290 PolarHBondContact OE2-N 2.77Å; P288-K290 PolarHBondContact O-N 3.42Å; K290-F292 PolarHBondContact O-N 2.92Å; K290-F292 VanDerWaalsContact O-N 3.17Å; K290-N293 PolarHBondContact O-N 3.35Å; K290-N293 VanDerWaalsContact O-N 3.09Å
291	R	90.3	Very high	93.7	Very high	199 Å²	199	54 Å²	54	75%	0.751	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-29	-177.3	-175.2	177.1	-176.5	-170.9	3	112.9	E273	E273-R291 HydrophobicContact CG-CB 4.05Å; E273-R291 WeakPolarHBondContact OE1-CA 3.38Å; E273-R291 WeakPolarHBondContact OE1-CB 3.49Å; E273-R291 PolarHBondContact OE1-N 3.35Å
292	F	90.5	Very high	93.7	Very high	44 Å²	44	53.3 Å²	53.3	19%	0.193	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	11.6	-178.3	-72.8	-91.5	0	0	0	113.5	L272 I289 K290 Y296 R312	L272-F292 HydrophobicContact CB-CD2 3.92Å; L272-F292 HydrophobicContact CB-CE2 4.08Å; L272-F292 HydrophobicContact CD2-CD1 3.8Å; L272-F292 HydrophobicContact CD2-CD2 3.86Å; L272-F292 HydrophobicContact CD2-CE1 3.87Å; L272-F292 HydrophobicContact CD2-CE2 3.97Å; L272-F292 HydrophobicContact CD2-CG 3.78Å; L272-F292 HydrophobicContact CD2-CZ 3.95Å; L272-F292 HydrophobicContact CG-CD2 4.48Å; L272-F292 WeakPolarHBondContact O-CE2 3.31Å; I289-F292 HydrophobicContact CG2-CB 4.07Å; I289-F292 HydrophobicContact CG2-CD2 4.15Å; K290-F292 PolarHBondContact O-N 2.92Å; K290-F292 VanDerWaalsContact O-N 3.17Å; F292-Y296 HydrophobicContact CB-CE2 4.13Å; F292-R312 PolarHBondContact O-NH1 3.27Å; F292-R312 VanDerWaalsContact O-NH1 3.15Å; F292-R312 PolarHBondContact O-NH2 3.5Å
293	N	89.7	Confident	93.5	Very high	134 Å²	134	53.2 Å²	53.2	72%	0.717	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	64.2	-178.9	-166.2	38.6	0	0	0	111.9	I289 K290 R312	I289-N293 PolarHBondContact O-N 3.33Å; K290-N293 PolarHBondContact O-N 3.35Å; K290-N293 VanDerWaalsContact O-N 3.09Å; N293-R312 PolarHBondContact O-NH1 3.04Å
294	G	86.5	Confident	93.2	Very high	24 Å²	24	59.8 Å²	59.8	25%	0.247	29%	0.289	C	S	.	.			trans	-56.6	-178.7	173.4	0	0	0	0	0	113.7	I289	I289-G294 PolarHBondContact O-N 3.33Å
295	P	96.2	Very high	93.1	Very high	45 Å²	45	63.9 Å²	63.9	29%	0.292	31%	0.309	S	S	.	.			cis	-88.5	159.8	29.6	32.7	-36.9	0	0	0	115.1	R286	R286-P295 HydrophobicContact CG-CB 3.83Å; R286-P295 VanDerWaalsContact CZ-CB 3.49Å; R286-P295 VanDerWaalsContact NE-CB 3.3Å
296	Y	97.7	Very high	93	Very high	3 Å²	3	62 Å²	62	1%	0.012	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	165	168.4	-79.5	-100.5	0	0	0	109.8	L272 R286 I287 I289 F292 V310 V311 R312	L272-Y296 HydrophobicContact CD1-CD1 4.07Å; L272-Y296 HydrophobicContact CD1-CE1 3.5Å; L272-Y296 VanDerWaalsContact CD1-CE1 3.5Å; L272-Y296 HydrophobicContact CD1-CE2 4.34Å; R286-Y296 CarbonylContact C-O 3.57Å; R286-Y296 WeakPolarHBondContact CA-O 3.29Å; I287-Y296 PolarHBondContact N-O 2.76Å; I287-Y296 PolarHBondContact O-N 2.91Å; I289-Y296 HydrophobicContact CB-CD2 3.82Å; I289-Y296 HydrophobicContact CB-CE2 4.15Å; I289-Y296 HydrophobicContact CD1-CD1 4.29Å; I289-Y296 HydrophobicContact CD1-CD2 3.82Å; I289-Y296 HydrophobicContact CD1-CE2 4.32Å; I289-Y296 HydrophobicContact CD1-CG 3.78Å; I289-Y296 HydrophobicContact CG1-CD2 4Å; I289-Y296 HydrophobicContact CG1-CG 4.3Å; F292-Y296 HydrophobicContact CB-CE2 4.13Å; Y296-V310 HydrophobicContact CD1-CB 3.94Å; Y296-V310 HydrophobicContact CD1-CG2 3.44Å; Y296-V310 VanDerWaalsContact CD1-CG2 3.44Å; Y296-V310 HydrophobicContact CE1-CG2 4.04Å; Y296-V310 HydrophobicContact CG-CB 4.41Å; Y296-V310 HydrophobicContact CG-CG2 4.08Å; Y296-V311 CarbonylContact C-O 3.54Å; Y296-V311 WeakPolarHBondContact CA-O 3.45Å; Y296-R312 HydrophobicContact CD1-CG 3.77Å; Y296-R312 HydrophobicContact CD2-CG 4.28Å; Y296-R312 HydrophobicContact CE1-CG 3.41Å; Y296-R312 VanDerWaalsContact CE1-CG 3.41Å; Y296-R312 HydrophobicContact CE2-CG 3.94Å; Y296-R312 HydrophobicContact CG-CG 4.22Å; Y296-R312 VanDerWaalsContact CZ-NE 3.3Å; Y296-R312 PolarHBondContact OH-NE 3.45Å; Y296-R312 PolarHBondContact OH-NH2 3.11Å
297	Y	98	Very high	93	Very high	36 Å²	36	55.8 Å²	55.8	14%	0.141	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	133.3	179.2	-60.1	-90.4	0	0	0	110	Q285 R286 S299 V310 V311 R312 P314 L319	Q285-Y297 WeakPolarHBondContact O-CA 3.42Å; R286-Y297 HydrophobicContact CB-CD1 4.07Å; R286-Y297 HydrophobicContact CB-CE1 3.84Å; R286-Y297 HydrophobicContact CG-CD1 4.41Å; R286-Y297 HydrophobicContact CG-CE1 3.9Å; Y297-S299 PolarHBondContact O-N 2.76Å; Y297-S299 VanDerWaalsContact O-N 3.15Å; Y297-V310 VanDerWaalsContact O-CA 3.23Å; Y297-V310 WeakPolarHBondContact O-CA 3.5Å; Y297-V311 PolarHBondContact N-O 3.43Å; Y297-V311 PolarHBondContact O-N 3.47Å; Y297-R312 WeakPolarHBondContact CE2-O 3.31Å; Y297-P314 HydrophobicContact CD2-CB 4.33Å; Y297-P314 HydrophobicContact CE1-CB 4.32Å; Y297-P314 HydrophobicContact CE2-CB 3.75Å; Y297-P314 HydrophobicContact CE2-CG 4.28Å; Y297-L319 HydrophobicContact CG-CD1 4.35Å
298	V	97.3	Very high	93	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	116.2	175.4	178.6	0	0	0	0	109.4	F281 T282 L283 G284 Q285 I287 M301 I308 L319	F281-V298 HydrophobicContact CB-CG2 4.3Å; F281-V298 HydrophobicContact CD1-CG2 4.31Å; T282-V298 VanDerWaalsContact O-CB 3.3Å; T282-V298 WeakPolarHBondContact O-CB 3.48Å; L283-V298 HydrophobicContact CD2-CG1 4.06Å; G284-V298 WeakPolarHBondContact CA-O 3.44Å; G284-V298 PolarHBondContact N-O 3.15Å; Q285-V298 HydrophobicContact CB-CG2 3.99Å; Q285-V298 PolarHBondContact O-N 3.18Å; I287-V298 HydrophobicContact CD1-CG2 3.24Å; I287-V298 HydrophobicContact CG1-CG2 4.03Å; V298-M301 HydrophobicContact CG1-CG 3.78Å; V298-M301 HydrophobicContact CG1-SD 4.11Å; V298-I308 HydrophobicContact CB-CG2 4.47Å; V298-I308 HydrophobicContact CG1-CG2 3.97Å; V298-I308 HydrophobicContact CG2-CG2 4.02Å; V298-L319 WeakPolarHBondContact O-CD2 3.3Å
299	S	96	Very high	93.2	Very high	8 Å²	8	52 Å²	52	6%	0.056	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	-40.7	177.8	177.5	0	0	0	0	112.4	L266 Y297 Y309 S318	L266-S299 WeakPolarHBondContact CD2-OG 3.43Å; Y297-S299 PolarHBondContact O-N 2.76Å; Y297-S299 VanDerWaalsContact O-N 3.15Å; S299-Y309 PolarHBondContact N-O 2.79Å; S299-S318 WeakPolarHBondContact CB-OG 3.33Å; S299-S318 WeakPolarHBondContact OG-CB 3.4Å; S299-S318 PolarHBondContact OG-OG 3.3Å
300	K	93.4	Very high	93.4	Very high	30 Å²	30	51.9 Å²	51.9	13%	0.13	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	150.4	-175.6	-162.4	169.8	-177.7	171.9	0	109.5	Y309 L381 F382 E446	K300-Y309 HydrophobicContact CB-CD2 4.34Å; K300-Y309 PolarHBondContact N-O 2.77Å; K300-Y309 PolarHBondContact O-N 2.94Å; K300-L381 HydrophobicContact CD-CB 4.44Å; K300-L381 HydrophobicContact CD-CD1 3.68Å; K300-F382 HydrophobicContact CD-CE1 3.59Å; K300-F382 HydrophobicContact CD-CZ 3.85Å; K300-F382 VanDerWaalsContact CE-CE1 3.47Å; K300-F382 HydrophobicContact CG-CE1 3.76Å; K300-F382 HydrophobicContact CG-CZ 3.72Å; K300-E446 IonicContact NZ-OE1 3.71Å; K300-E446 PolarHBondContact NZ-OE1 2.97Å
301	M	92.6	Very high	93.8	Very high	23 Å²	23	43.7 Å²	43.7	11%	0.113	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	120.7	-178.4	-60.1	-177.3	-74.2	0	0	109.9	G112 F281 L283 V298 I308 F382	G112-M301 VanDerWaalsContact O-CE 3.28Å; G112-M301 WeakPolarHBondContact O-CE 3.33Å; F281-M301 HydrophobicContact CB-SD 3.84Å; L283-M301 HydrophobicContact CD2-CE 4.03Å; L283-M301 HydrophobicContact CD2-CG 4.45Å; L283-M301 HydrophobicContact CG-CE 4.4Å; V298-M301 HydrophobicContact CG1-CG 3.78Å; V298-M301 HydrophobicContact CG1-SD 4.11Å; M301-I308 HydrophobicContact CG-CG1 4.32Å; M301-I308 HydrophobicContact CG-CG2 4.45Å; M301-F382 WeakPolarHBondContact O-CZ 3.46Å
302	D	92	Very high	94.1	Very high	7 Å²	7	39.8 Å²	39.8	4%	0.037	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	95.8	170.7	-176.7	-16.7	0	0	0	108.3	H304 N305 Q306 I307 Y309 F382	D302-H304 VanDerWaalsContact C-N 3.29Å; D302-H304 PolarHBondContact O-N 2.77Å; D302-H304 WeakPolarHBondContact OD1-CB 3.3Å; D302-H304 PolarHBondContact OD1-N 3.38Å; D302-N305 PolarHBondContact OD1-N 3.16Å; D302-N305 PolarHBondContact OD2-ND2 2.71Å; D302-Q306 WeakPolarHBondContact O-CA 3.46Å; D302-Q306 PolarHBondContact O-N 3.42Å; D302-I307 HydrophobicContact CB-CB 4.18Å; D302-I307 PolarHBondContact N-O 2.98Å; D302-I307 PolarHBondContact O-N 2.97Å; D302-Y309 HydrophobicContact CB-CE2 4.34Å; D302-F382 HydrophobicContact CB-CD1 3.96Å; D302-F382 HydrophobicContact CB-CD2 4.15Å; D302-F382 HydrophobicContact CB-CE1 3.71Å; D302-F382 HydrophobicContact CB-CE2 3.9Å; D302-F382 HydrophobicContact CB-CG 4.19Å; D302-F382 HydrophobicContact CB-CZ 3.69Å
303	C	89.1	Confident	94.3	Very high	42 Å²	42	40 Å²	40	28%	0.284	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-25.2	-179.6	57.1	0	0	0	0	113	Q111 V278 Q306	Q111-C303 PolarHBondContact O-SG 3Å; Q111-C303 VanDerWaalsContact O-SG 3.37Å; V278-C303 HydrophobicContact CG2-CB 4.12Å; C303-Q306 PolarHBondContact O-NE2 3.21Å
304	H	89.3	Confident	94.6	Very high	161 Å²	161	36.7 Å²	36.7	75%	0.745	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-47.8	178.9	-178.1	72.9	0	0	0	110.7	D302	D302-H304 VanDerWaalsContact C-N 3.29Å; D302-H304 PolarHBondContact O-N 2.77Å; D302-H304 WeakPolarHBondContact OD1-CB 3.3Å; D302-H304 PolarHBondContact OD1-N 3.38Å
305	N	92.9	Very high	95.1	Very high	94 Å²	94	36 Å²	36	50%	0.503	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	0.5	-178.7	-63.4	-63.4	0	0	0	113.8	D302 I307	D302-N305 PolarHBondContact OD1-N 3.16Å; D302-N305 PolarHBondContact OD2-ND2 2.71Å; N305-I307 VanDerWaalsContact C-N 3.33Å; N305-I307 HydrophobicContact CB-CD1 3.8Å; N305-I307 HydrophobicContact CB-CG1 3.94Å; N305-I307 PolarHBondContact O-N 3.25Å
306	Q	94.4	Very high	95.2	Very high	28 Å²	28	34.3 Å²	34.3	13%	0.131	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	49.1	-173.4	-59.5	-66	-48.1	0	0	112	K259 G261 V262 H275 D302 C303	K259-Q306 HydrophobicContact CB-CG 4.09Å; K259-Q306 PolarHBondContact O-OE1 2.97Å; G261-Q306 CarbonylContact C-O 3.5Å; G261-Q306 WeakPolarHBondContact CA-O 3.45Å; V262-Q306 PolarHBondContact N-O 2.96Å; H275-Q306 PolarHBondContact NE2-O 2.94Å; D302-Q306 WeakPolarHBondContact O-CA 3.46Å; D302-Q306 PolarHBondContact O-N 3.42Å; C303-Q306 PolarHBondContact O-NE2 3.21Å
307	I	95.5	Very high	95.2	Very high	20 Å²	20	34.1 Å²	34.1	10%	0.103	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	129.8	177.9	-57.5	172.5	0	0	0	109.5	V262 K264 D302 N305 Y309	V262-I307 HydrophobicContact CG2-CG1 4.14Å; V262-I307 WeakPolarHBondContact O-CA 3.49Å; K264-I307 HydrophobicContact CB-CG2 4Å; K264-I307 HydrophobicContact CD-CD1 4.49Å; K264-I307 HydrophobicContact CD-CG2 3.92Å; K264-I307 HydrophobicContact CG-CG2 3.83Å; D302-I307 HydrophobicContact CB-CB 4.18Å; D302-I307 PolarHBondContact N-O 2.98Å; D302-I307 PolarHBondContact O-N 2.97Å; N305-I307 VanDerWaalsContact C-N 3.33Å; N305-I307 HydrophobicContact CB-CD1 3.8Å; N305-I307 HydrophobicContact CB-CG1 3.94Å; N305-I307 PolarHBondContact O-N 3.25Å; I307-Y309 HydrophobicContact CB-CE2 4.34Å; I307-Y309 HydrophobicContact CG2-CD1 4.5Å; I307-Y309 HydrophobicContact CG2-CD2 4.09Å; I307-Y309 HydrophobicContact CG2-CE1 4.21Å; I307-Y309 HydrophobicContact CG2-CE2 3.76Å; I307-Y309 HydrophobicContact CG2-CG 4.45Å
308	I	96	Very high	95.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	110.5	169.9	-62.3	173.4	0	0	0	108.7	V262 Y263 K264 H275 V278 F281 V298 M301 V310	V262-I308 PolarHBondContact O-N 3.31Å; Y263-I308 CarbonylContact C-O 3.54Å; Y263-I308 VanDerWaalsContact CA-O 3.29Å; Y263-I308 WeakPolarHBondContact CA-O 3.32Å; Y263-I308 HydrophobicContact CD1-CB 3.78Å; Y263-I308 HydrophobicContact CD1-CD1 4.41Å; Y263-I308 HydrophobicContact CD1-CG2 3.91Å; Y263-I308 HydrophobicContact CE1-CB 4.16Å; Y263-I308 HydrophobicContact CE1-CD1 3.94Å; Y263-I308 HydrophobicContact CE1-CG2 4.17Å; K264-I308 PolarHBondContact N-O 2.87Å; H275-I308 VanDerWaalsContact CD2-CD1 3.48Å; H275-I308 WeakPolarHBondContact CD2-CD1 3.3Å; V278-I308 HydrophobicContact CG1-CD1 4.47Å; V278-I308 HydrophobicContact CG1-CG1 4.12Å; F281-I308 HydrophobicContact CB-CD1 4Å; F281-I308 HydrophobicContact CD1-CD1 4.34Å; F281-I308 HydrophobicContact CD2-CD1 3.14Å; F281-I308 HydrophobicContact CE2-CD1 3.63Å; F281-I308 HydrophobicContact CG-CD1 3.56Å; F281-I308 HydrophobicContact CZ-CD1 4.42Å; V298-I308 HydrophobicContact CB-CG2 4.47Å; V298-I308 HydrophobicContact CG1-CG2 3.97Å; V298-I308 HydrophobicContact CG2-CG2 4.02Å; M301-I308 HydrophobicContact CG-CG1 4.32Å; M301-I308 HydrophobicContact CG-CG2 4.45Å; I308-V310 HydrophobicContact CG2-CG1 3.98Å
309	Y	97.1	Very high	95.1	Very high	17 Å²	17	32.5 Å²	32.5	7%	0.067	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	131.9	173.5	-65.4	-84.8	0	0	0	110.2	K264 L266 S299 K300 D302 I307 L381 F382	K264-Y309 HydrophobicContact CB-CD1 3.99Å; K264-Y309 HydrophobicContact CB-CE1 4.1Å; K264-Y309 HydrophobicContact CD-CE1 4.2Å; K264-Y309 CarbonylContact O-C 3.38Å; K264-Y309 VanDerWaalsContact O-CA 3.28Å; K264-Y309 WeakPolarHBondContact O-CA 3.38Å; L266-Y309 HydrophobicContact CD1-CD1 4.13Å; L266-Y309 HydrophobicContact CD1-CG 4.07Å; S299-Y309 PolarHBondContact N-O 2.79Å; K300-Y309 HydrophobicContact CB-CD2 4.34Å; K300-Y309 PolarHBondContact N-O 2.77Å; K300-Y309 PolarHBondContact O-N 2.94Å; D302-Y309 HydrophobicContact CB-CE2 4.34Å; I307-Y309 HydrophobicContact CB-CE2 4.34Å; I307-Y309 HydrophobicContact CG2-CD1 4.5Å; I307-Y309 HydrophobicContact CG2-CD2 4.09Å; I307-Y309 HydrophobicContact CG2-CE1 4.21Å; I307-Y309 HydrophobicContact CG2-CE2 3.76Å; I307-Y309 HydrophobicContact CG2-CG 4.45Å; Y309-L381 HydrophobicContact CE1-CD2 4.29Å; Y309-F382 HydrophobicContact CD2-CE1 4.1Å; Y309-F382 AromaticContact CE2-CD1 3.99Å; Y309-F382 HydrophobicContact CE2-CD1 3.99Å; Y309-F382 AromaticContact CE2-CE1 3.77Å; Y309-F382 HydrophobicContact CE2-CE1 3.77Å
310	V	97.8	Very high	95.2	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	156.7	-176	-63	0	0	0	0	112.3	Y263 K264 L266 L272 I287 I289 Y296 Y297 I308	Y263-V310 HydrophobicContact CD1-CG1 4.11Å; K264-V310 WeakPolarHBondContact O-CG2 3.37Å; K264-V310 PolarHBondContact O-N 3.44Å; L266-V310 PolarHBondContact N-O 2.9Å; L272-V310 HydrophobicContact CD1-CG2 3.58Å; I287-V310 HydrophobicContact CD1-CG1 4.2Å; I289-V310 HydrophobicContact CD1-CG2 3.86Å; Y296-V310 HydrophobicContact CD1-CB 3.94Å; Y296-V310 HydrophobicContact CD1-CG2 3.44Å; Y296-V310 VanDerWaalsContact CD1-CG2 3.44Å; Y296-V310 HydrophobicContact CE1-CG2 4.04Å; Y296-V310 HydrophobicContact CG-CB 4.41Å; Y296-V310 HydrophobicContact CG-CG2 4.08Å; Y297-V310 VanDerWaalsContact O-CA 3.23Å; Y297-V310 WeakPolarHBondContact O-CA 3.5Å; I308-V310 HydrophobicContact CG2-CG1 3.98Å
311	V	97.6	Very high	95.4	Very high	3 Å²	3	31.1 Å²	31.1	2%	0.018	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	148.8	176.6	-67	0	0	0	0	110.2	L266 Y296 Y297 H316 L319	L266-V311 HydrophobicContact CB-CG1 3.62Å; L266-V311 HydrophobicContact CD2-CG1 3.61Å; L266-V311 HydrophobicContact CG-CG1 4.28Å; Y296-V311 CarbonylContact C-O 3.54Å; Y296-V311 WeakPolarHBondContact CA-O 3.45Å; Y297-V311 PolarHBondContact N-O 3.43Å; Y297-V311 PolarHBondContact O-N 3.47Å; V311-H316 HydrophobicContact CB-CB 4.02Å; V311-H316 HydrophobicContact CG1-CB 4.35Å; V311-H316 HydrophobicContact CG2-CB 3.79Å; V311-L319 HydrophobicContact CG2-CD1 4Å; V311-L319 HydrophobicContact CG2-CD2 4.2Å; V311-L319 HydrophobicContact CG2-CG 4.04Å
312	R	96	Very high	95.5	Very high	116 Å²	116	33.6 Å²	33.6	44%	0.438	17%	0.165	S	C	.	.	S	Bend	trans	-80.6	-41.1	176.6	-71	-172.4	-174.1	-121.1	-0.6	113	F292 N293 Y296 Y297 P314	F292-R312 PolarHBondContact O-NH1 3.27Å; F292-R312 VanDerWaalsContact O-NH1 3.15Å; F292-R312 PolarHBondContact O-NH2 3.5Å; N293-R312 PolarHBondContact O-NH1 3.04Å; Y296-R312 HydrophobicContact CD1-CG 3.77Å; Y296-R312 HydrophobicContact CD2-CG 4.28Å; Y296-R312 HydrophobicContact CE1-CG 3.41Å; Y296-R312 VanDerWaalsContact CE1-CG 3.41Å; Y296-R312 HydrophobicContact CE2-CG 3.94Å; Y296-R312 HydrophobicContact CG-CG 4.22Å; Y296-R312 VanDerWaalsContact CZ-NE 3.3Å; Y296-R312 PolarHBondContact OH-NE 3.45Å; Y296-R312 PolarHBondContact OH-NH2 3.11Å; Y297-R312 WeakPolarHBondContact CE2-O 3.31Å; R312-P314 WeakPolarHBondContact O-CD 3.48Å
313	D	96	Very high	95.7	Very high	50 Å²	50	34.1 Å²	34.1	27%	0.267	17%	0.167	S	C	.	.			trans	-73.7	118.2	-175.8	176.9	17.7	0	0	0	110.7	A315 H316 S452	D313-A315 PolarHBondContact O-N 3.13Å; D313-A315 WeakPolarHBondContact OD1-CA 3.49Å; D313-A315 WeakPolarHBondContact OD1-CB 2.99Å; D313-A315 PolarHBondContact OD1-N 3.32Å; D313-H316 HydrophobicContact CB-CB 4.14Å; D313-H316 WeakPolarHBondContact O-CB 3.39Å; D313-H316 PolarHBondContact O-N 3.2Å; D313-H316 PolarHBondContact OD2-N 3.48Å; D313-S452 VanDerWaalsContact OD2-CB 3.31Å; D313-S452 WeakPolarHBondContact OD2-CB 3.38Å; D313-S452 PolarHBondContact OD2-OG 3.1Å
314	P	95.5	Very high	96.1	Very high	63 Å²	63	32.1 Å²	32.1	41%	0.409	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-16.5	174.2	27.1	-35	0	0	0	113.7	Y297 R312 L319	Y297-P314 HydrophobicContact CD2-CB 4.33Å; Y297-P314 HydrophobicContact CE1-CB 4.32Å; Y297-P314 HydrophobicContact CE2-CB 3.75Å; Y297-P314 HydrophobicContact CE2-CG 4.28Å; R312-P314 WeakPolarHBondContact O-CD 3.48Å; P314-L319 WeakPolarHBondContact O-CD1 3.16Å
315	A	96.8	Very high	96.4	Very high	9 Å²	9	25 Å²	25	7%	0.074	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	10.3	173.5	0	0	0	0	0	112.8	D313 S452 Y453 H454	D313-A315 PolarHBondContact O-N 3.13Å; D313-A315 WeakPolarHBondContact OD1-CA 3.49Å; D313-A315 WeakPolarHBondContact OD1-CB 2.99Å; D313-A315 PolarHBondContact OD1-N 3.32Å; A315-S452 CarbonylContact O-C 3.55Å; A315-S452 VanDerWaalsContact O-CA 3.29Å; A315-S452 WeakPolarHBondContact O-CA 3.25Å; A315-Y453 PolarHBondContact O-N 3.34Å; A315-H454 VanDerWaalsContact CB-CE1 3.43Å; A315-H454 WeakPolarHBondContact CB-CE1 3.32Å; A315-H454 WeakPolarHBondContact CB-ND1 3.17Å
316	H	97.9	Very high	96.5	Very high	10 Å²	10	20.5 Å²	20.5	5%	0.046	10%	0.096	C	C	.	.			trans	-59.1	134.7	178.8	-169.1	-86.1	0	0	0	111	E267 V311 D313 S318 L319 F320 W445	E267-H316 IonicContact OE1-NE2 3.11Å; V311-H316 HydrophobicContact CB-CB 4.02Å; V311-H316 HydrophobicContact CG1-CB 4.35Å; V311-H316 HydrophobicContact CG2-CB 3.79Å; D313-H316 HydrophobicContact CB-CB 4.14Å; D313-H316 WeakPolarHBondContact O-CB 3.39Å; D313-H316 PolarHBondContact O-N 3.2Å; D313-H316 PolarHBondContact OD2-N 3.48Å; H316-S318 VanDerWaalsContact ND1-CB 3.27Å; H316-S318 WeakPolarHBondContact ND1-CB 3.39Å; H316-S318 PolarHBondContact ND1-N 3.4Å; H316-S318 VanDerWaalsContact ND1-N 3.15Å; H316-S318 PolarHBondContact ND1-OG 3.12Å; H316-S318 PolarHBondContact O-N 2.93Å; H316-L319 WeakPolarHBondContact O-CB 3.38Å; H316-L319 PolarHBondContact O-N 3.46Å; H316-F320 WeakPolarHBondContact O-CD2 3.31Å; H316-F320 WeakPolarHBondContact O-CE2 3.4Å; H316-W445 AromaticContact CE1-CD2 3.87Å; H316-W445 AromaticContact CE1-CE3 3.76Å
317	P	97.7	Very high	96.5	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-60	-19.2	-175	23.7	-36.2	0	0	0	114.2	L319 F320 L444 W445 Q449	P317-L319 PolarHBondContact O-N 3.29Å; P317-F320 PolarHBondContact O-N 3.28Å; P317-L444 HydrophobicContact CB-CB 3.91Å; P317-L444 WeakPolarHBondContact O-CB 3.11Å; P317-L444 PolarHBondContact O-N 2.97Å; P317-W445 HydrophobicContact CB-CB 4.31Å; P317-W445 HydrophobicContact CG-CB 4.2Å; P317-W445 HydrophobicContact CG-CE3 3.9Å; P317-W445 PolarHBondContact O-N 3.27Å; P317-Q449 HydrophobicContact CB-CB 4.09Å; P317-Q449 HydrophobicContact CB-CG 4.03Å
318	S	97	Very high	96.4	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.007	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-70.5	-15	176	73.2	0	0	0	0	114.1	L266 S299 H316 M321 S443	L266-S318 VanDerWaalsContact CD2-CB 3.46Å; L266-S318 WeakPolarHBondContact CD2-OG 3.34Å; S299-S318 WeakPolarHBondContact CB-OG 3.33Å; S299-S318 WeakPolarHBondContact OG-CB 3.4Å; S299-S318 PolarHBondContact OG-OG 3.3Å; H316-S318 VanDerWaalsContact ND1-CB 3.27Å; H316-S318 WeakPolarHBondContact ND1-CB 3.39Å; H316-S318 PolarHBondContact ND1-N 3.4Å; H316-S318 VanDerWaalsContact ND1-N 3.15Å; H316-S318 PolarHBondContact ND1-OG 3.12Å; H316-S318 PolarHBondContact O-N 2.93Å; S318-M321 WeakPolarHBondContact O-CE 3.18Å; S318-S443 VanDerWaalsContact O-CB 3.3Å; S318-S443 WeakPolarHBondContact O-CB 3.24Å
319	L	97.4	Very high	96.3	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.005	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-89.2	-3.1	178.1	-62	177.3	0	0	0	113.1	Y297 V298 V311 P314 H316 P317 R416 C417	Y297-L319 HydrophobicContact CG-CD1 4.35Å; V298-L319 WeakPolarHBondContact O-CD2 3.3Å; V311-L319 HydrophobicContact CG2-CD1 4Å; V311-L319 HydrophobicContact CG2-CD2 4.2Å; V311-L319 HydrophobicContact CG2-CG 4.04Å; P314-L319 WeakPolarHBondContact O-CD1 3.16Å; H316-L319 WeakPolarHBondContact O-CB 3.38Å; H316-L319 PolarHBondContact O-N 3.46Å; P317-L319 PolarHBondContact O-N 3.29Å; L319-R416 CarbonylContact O-C 3.53Å; L319-R416 VanDerWaalsContact O-CA 3.3Å; L319-R416 WeakPolarHBondContact O-CA 3.49Å; L319-C417 PolarHBondContact O-N 3.46Å; L319-C417 PolarHBondContact O-SG 3.34Å; L319-C417 VanDerWaalsContact O-SG 3.35Å
320	F	97.7	Very high	96.2	Very high	4 Å²	4	19.8 Å²	19.8	2%	0.018	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	136.3	-176.1	-56	-83.6	0	0	0	110.6	H316 P317 P414 M415 R416 S443 L444 Y453 W456	H316-F320 WeakPolarHBondContact O-CD2 3.31Å; H316-F320 WeakPolarHBondContact O-CE2 3.4Å; P317-F320 PolarHBondContact O-N 3.28Å; F320-P414 HydrophobicContact CB-CB 4.17Å; F320-M415 WeakPolarHBondContact CA-O 3.03Å; F320-R416 HydrophobicContact CD1-CB 4Å; F320-R416 HydrophobicContact CD1-CG 4.37Å; F320-R416 HydrophobicContact CE1-CB 3.95Å; F320-R416 HydrophobicContact CE1-CG 4.07Å; F320-S443 CarbonylContact O-C 3.52Å; F320-S443 WeakPolarHBondContact O-CA 3.24Å; F320-L444 HydrophobicContact CB-CD1 3.8Å; F320-L444 HydrophobicContact CB-CG 4.16Å; F320-L444 PolarHBondContact O-N 3.35Å; F320-Y453 HydrophobicContact CB-CD1 4.01Å; F320-Y453 HydrophobicContact CB-CE1 4.48Å; F320-Y453 AromaticContact CD1-CD1 3.62Å; F320-Y453 HydrophobicContact CD1-CD1 3.62Å; F320-Y453 HydrophobicContact CD1-CE1 4.06Å; F320-Y453 AromaticContact CD2-CD1 3.77Å; F320-Y453 HydrophobicContact CD2-CD1 3.77Å; F320-Y453 HydrophobicContact CD2-CG 4.21Å; F320-Y453 AromaticContact CE1-CD1 3.98Å; F320-Y453 HydrophobicContact CE1-CD1 3.98Å; F320-Y453 HydrophobicContact CE2-CD1 4.1Å; F320-Y453 AromaticContact CG-CD1 3.5Å; F320-Y453 HydrophobicContact CG-CD1 3.5Å; F320-Y453 VanDerWaalsContact CG-CD1 3.5Å; F320-Y453 HydrophobicContact CG-CE1 4.21Å; F320-Y453 HydrophobicContact CG-CG 4.3Å; F320-Y453 HydrophobicContact CZ-CD1 4.2Å; F320-W456 HydrophobicContact CD1-CB 3.96Å; F320-W456 HydrophobicContact CD1-CG 4.14Å; F320-W456 HydrophobicContact CE1-CB 3.6Å; F320-W456 AromaticContact CE1-CD2 3.99Å; F320-W456 HydrophobicContact CE1-CD2 3.99Å; F320-W456 HydrophobicContact CE1-CE3 4.01Å; F320-W456 AromaticContact CE1-CG 3.83Å; F320-W456 HydrophobicContact CE1-CG 3.83Å
321	M	96.4	Very high	96	Very high	4 Å²	4	20.7 Å²	20.7	2%	0.02	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	129.5	-175.1	-56	82.7	-176.3	0	0	109.2	L283 S318 P414 M415 C417 I418 I442	L283-M321 HydrophobicContact CD1-CE 4.25Å; S318-M321 WeakPolarHBondContact O-CE 3.18Å; M321-P414 WeakPolarHBondContact O-CA 3.33Å; M321-M415 PolarHBondContact N-O 3.4Å; M321-M415 PolarHBondContact O-N 3.14Å; M321-C417 VanDerWaalsContact SD-CA 3.51Å; M321-C417 PolarHBondContact SD-N 3.25Å; M321-I418 HydrophobicContact CB-CB 4.26Å; M321-I418 HydrophobicContact CB-CD1 3.85Å; M321-I418 HydrophobicContact CB-CG1 4.07Å; M321-I418 HydrophobicContact CG-CB 4.4Å; M321-I418 HydrophobicContact SD-CB 4.31Å; M321-I418 HydrophobicContact SD-CG1 4.47Å; M321-I418 PolarHBondContact SD-N 3.13Å; M321-I442 WeakPolarHBondContact CA-O 3.42Å; M321-I442 WeakPolarHBondContact CB-O 3.23Å
322	R	96.2	Very high	95.8	Very high	75 Å²	75	20.6 Å²	20.6	28%	0.283	10%	0.1	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	-23.3	170	-168.2	177.8	-73.1	124.7	-3.4	112	L411 P414 L444	R322-L411 WeakPolarHBondContact CD-O 3.47Å; R322-L411 HydrophobicContact CG-CB 4.4Å; R322-L411 WeakPolarHBondContact CG-O 3.17Å; R322-L411 WeakPolarHBondContact O-CG 3.48Å; R322-L411 PolarHBondContact O-N 2.65Å; R322-P414 HydrophobicContact CB-CG 4.3Å; R322-L444 HydrophobicContact CB-CD2 4.45Å
323	K	96.4	Very high	95.7	Very high	19 Å²	19	15.9 Å²	15.9	8%	0.083	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	131.3	-172.6	-67.5	166.5	-178.6	168	0	110.3	F373 D376 I409 E410 S441 I442 E447	K323-F373 HydrophobicContact CB-CD1 4.19Å; K323-F373 HydrophobicContact CB-CD2 3.89Å; K323-F373 HydrophobicContact CB-CE1 4.29Å; K323-F373 HydrophobicContact CB-CE2 3.96Å; K323-F373 HydrophobicContact CB-CG 4Å; K323-F373 HydrophobicContact CB-CZ 4.2Å; K323-F373 HydrophobicContact CD-CD1 3.61Å; K323-F373 HydrophobicContact CD-CE1 3.88Å; K323-F373 HydrophobicContact CD-CG 4.12Å; K323-F373 HydrophobicContact CG-CD1 3.91Å; K323-F373 HydrophobicContact CG-CD2 4.44Å; K323-F373 HydrophobicContact CG-CE1 3.79Å; K323-F373 HydrophobicContact CG-CE2 4.29Å; K323-F373 HydrophobicContact CG-CG 4.26Å; K323-F373 HydrophobicContact CG-CZ 4Å; K323-D376 IonicContact NZ-OD2 3.62Å; K323-D376 PolarHBondContact NZ-OD2 3Å; K323-I409 WeakPolarHBondContact CA-O 3.29Å; K323-E410 HydrophobicContact CG-CG 4.37Å; K323-S441 CarbonylContact O-C 3.45Å; K323-S441 WeakPolarHBondContact O-CA 3.41Å; K323-I442 HydrophobicContact CB-CB 4.47Å; K323-I442 PolarHBondContact O-N 3.34Å; K323-E447 WeakPolarHBondContact CD-OE1 3.28Å; K323-E447 WeakPolarHBondContact CE-OE1 3.3Å; K323-E447 IonicContact NZ-OE1 2.65Å; K323-E447 PolarHBondContact NZ-OE1 3.02Å
324	C	96.4	Very high	95.5	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	165	172.2	64	0	0	0	0	111.6	F373 I409 I418 G440	C324-F373 WeakPolarHBondContact O-CE2 3.45Å; C324-I409 PolarHBondContact N-O 3.49Å; C324-I409 PolarHBondContact O-N 3.45Å; C324-I418 HydrophobicContact CB-CG2 4.1Å; C324-G440 CarbonylContact C-O 3.6Å; C324-G440 VanDerWaalsContact CA-O 3.26Å; C324-G440 WeakPolarHBondContact CA-O 3.23Å; C324-G440 WeakPolarHBondContact CB-O 3.42Å
325	W	96.1	Very high	95	Very high	10 Å²	10	17.5 Å²	17.5	4%	0.038	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	151.2	173.8	61.3	88.8	0	0	0	110.7	A369 S370 L407 C439 G440 I442	W325-A369 HydrophobicContact CB-CB 4.11Å; W325-S370 VanDerWaalsContact CE2-CB 3.48Å; W325-L407 CarbonylContact C-O 3.59Å; W325-L407 WeakPolarHBondContact CA-O 3.3Å; W325-L407 WeakPolarHBondContact CB-O 3.46Å; W325-C439 PolarHBondContact O-N 2.85Å; W325-G440 VanDerWaalsContact CE2-CA 3.46Å; W325-G440 VanDerWaalsContact CZ2-CA 3.5Å; W325-G440 PolarHBondContact N-O 2.75Å; W325-G440 PolarHBondContact O-N 2.78Å; W325-I442 HydrophobicContact CH2-CG1 4.48Å; W325-I442 HydrophobicContact CZ3-CD1 4.34Å; W325-I442 HydrophobicContact CZ3-CG1 3.73Å
326	C	95.8	Very high	94.5	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	159	-174.2	-65.9	0	0	0	0	111.5	L407 I409 C424 A436 M437	C326-L407 PolarHBondContact N-O 3.23Å; C326-L407 PolarHBondContact O-N 3.05Å; C326-I409 VanDerWaalsContact SG-CD1 3.51Å; C326-C424 VanDerWaalsContact SG-SG 3.68Å; C326-A436 HydrophobicContact CB-CB 3.63Å; C326-M437 CarbonylContact C-O 3.59Å; C326-M437 WeakPolarHBondContact CA-O 3.5Å; C326-M437 WeakPolarHBondContact CB-O 3.48Å
327	G	94	Very high	93.9	Very high	2 Å²	2	22 Å²	22	2%	0.021	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	-176.9	161	0	0	0	0	0	112.5	A329 M437 C439	G327-A329 PolarHBondContact O-N 3Å; G327-M437 PolarHBondContact N-O 2.87Å; G327-C439 PolarHBondContact N-SG 2.74Å
328	P	92.9	Very high	93.3	Very high	45 Å²	45	27.1 Å²	27.1	29%	0.292	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-51	128.3	175.3	-26.1	34.8	0	0	0	111.4	I403	P328-I403 HydrophobicContact CB-CB 4.28Å; P328-I403 HydrophobicContact CB-CD1 4.1Å; P328-I403 HydrophobicContact CG-CD1 4.43Å
329	A	94.4	Very high	92.8	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.172	C	C	.	.			trans	-66.3	144.4	176	0	0	0	0	0	110.8	G327 W331 G404 P405 L407 A436	G327-A329 PolarHBondContact O-N 3Å; A329-W331 HydrophobicContact CB-CD2 4.45Å; A329-W331 HydrophobicContact CB-CH2 4.41Å; A329-W331 HydrophobicContact CB-CZ2 3.63Å; A329-G404 WeakPolarHBondContact O-CA 3.3Å; A329-G404 PolarHBondContact O-N 2.82Å; A329-P405 PolarHBondContact N-O 3.34Å; A329-L407 HydrophobicContact CB-CD1 3.84Å; A329-L407 HydrophobicContact CB-CG 4.3Å; A329-A436 HydrophobicContact CB-CB 4.41Å
330	V	93.7	Very high	92.3	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.024	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	95.4	178.2	-177.5	0	0	0	0	107	T198 R401 W423 G434 G435	T198-V330 HydrophobicContact CG2-CB 4.23Å; T198-V330 HydrophobicContact CG2-CG1 4.32Å; V330-R401 VanDerWaalsContact CG1-CZ 3.47Å; V330-W423 HydrophobicContact CG2-CH2 4.24Å; V330-W423 HydrophobicContact CG2-CZ3 4.25Å; V330-G434 WeakPolarHBondContact O-CA 3.48Å; V330-G435 PolarHBondContact N-O 3.18Å; V330-G435 PolarHBondContact O-N 2.94Å
331	W	94.1	Very high	91.7	Very high	19 Å²	19	35.9 Å²	35.9	7%	0.072	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	146.7	177.5	-56	115.7	0	0	0	110.5	A329 F337 I340 L360 R401 L407 F426 L433	A329-W331 HydrophobicContact CB-CD2 4.45Å; A329-W331 HydrophobicContact CB-CH2 4.41Å; A329-W331 HydrophobicContact CB-CZ2 3.63Å; W331-F337 HydrophobicContact CH2-CD2 4.46Å; W331-F337 AromaticContact CZ2-CD2 3.61Å; W331-F337 HydrophobicContact CZ2-CD2 3.61Å; W331-F337 HydrophobicContact CZ2-CE2 4.02Å; W331-I340 HydrophobicContact CD2-CD1 3.87Å; W331-I340 HydrophobicContact CE3-CD1 3.78Å; W331-I340 HydrophobicContact CH2-CD1 3.73Å; W331-I340 HydrophobicContact CZ2-CD1 3.79Å; W331-I340 HydrophobicContact CZ3-CD1 3.71Å; W331-L360 HydrophobicContact CH2-CD1 4.3Å; W331-R401 PolarHBondContact O-NH2 2.89Å; W331-L407 HydrophobicContact CH2-CD1 4.48Å; W331-L407 HydrophobicContact CZ2-CD1 4.29Å; W331-F426 HydrophobicContact CH2-CB 4.47Å; W331-F426 AromaticContact CH2-CD2 3.69Å; W331-F426 HydrophobicContact CH2-CD2 3.69Å; W331-F426 HydrophobicContact CH2-CE2 4.17Å; W331-F426 HydrophobicContact CH2-CG 4.17Å; W331-F426 HydrophobicContact CZ3-CB 4.02Å; W331-F426 AromaticContact CZ3-CD2 3.69Å; W331-F426 HydrophobicContact CZ3-CD2 3.69Å; W331-F426 HydrophobicContact CZ3-CG 4.13Å; W331-L433 HydrophobicContact CE3-CB 4.01Å; W331-L433 HydrophobicContact CZ3-CB 3.89Å
332	I	94.6	Very high	91.2	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.215	C	C	.	.	S	Bend	trans	-73.5	-52.2	176	-64.8	-173.6	0	0	0	108.9	L182 I199 H201 L204 C432 L433	L182-I332 HydrophobicContact CB-CD1 3.63Å; L182-I332 HydrophobicContact CD2-CD1 3.62Å; L182-I332 HydrophobicContact CG-CD1 4.26Å; I199-I332 HydrophobicContact CG1-CD1 4.07Å; I199-I332 HydrophobicContact CG1-CG1 4.39Å; I199-I332 HydrophobicContact CG1-CG2 4.4Å; H201-I332 WeakPolarHBondContact CB-O 3.33Å; H201-I332 PolarHBondContact N-O 3.25Å; H201-I332 PolarHBondContact ND1-O 3.43Å; L204-I332 HydrophobicContact CD1-CG2 3.4Å; L204-I332 VanDerWaalsContact CD1-CG2 3.4Å; I332-C432 HydrophobicContact CD1-CB 4.25Å; I332-C432 WeakPolarHBondContact CD1-O 3.39Å; I332-L433 PolarHBondContact N-O 3.38Å
333	N	93.5	Very high	90.6	Very high	18 Å²	18	43.3 Å²	43.3	10%	0.096	24%	0.237	C	C	.	.	S	Bend	trans	-90	158.3	-178.8	-67.1	103.9	0	0	0	112.2	E179 A180 E335	E179-N333 VanDerWaalsContact CB-ND2 3.28Å; E179-N333 WeakPolarHBondContact CB-ND2 3.39Å; E179-N333 WeakPolarHBondContact OE2-CA 3.45Å; E179-N333 WeakPolarHBondContact OE2-CB 3.46Å; E179-N333 PolarHBondContact OE2-ND2 2.81Å; A180-N333 PolarHBondContact O-ND2 2.94Å; N333-E335 PolarHBondContact O-N 3.17Å
334	S	91.1	Very high	90.1	Very high	54 Å²	54	47 Å²	47	38%	0.378	26%	0.258	S	S	.	.			trans	-78.8	-3.2	178.9	64.4	0	0	0	0	114.1	E179	E179-S334 VanDerWaalsContact CD-OG 3.3Å; E179-S334 WeakPolarHBondContact OE1-CB 3.45Å; E179-S334 PolarHBondContact OE1-N 2.93Å; E179-S334 PolarHBondContact OE1-OG 3.34Å; E179-S334 PolarHBondContact OE2-N 3.03Å
335	E	85.9	Confident	90	Very high	93 Å²	93	47.2 Å²	47.2	44%	0.435	26%	0.259	S	S	.	.			trans	-56.8	127.2	177.7	-66	-178.8	-163.6	0	0	109.8	R181 N333	R181-E335 IonicContact CZ-OE1 3.85Å; R181-E335 IonicContact NH2-OE1 3.92Å; R181-E335 PolarHBondContact NH2-OE1 2.9Å; R181-E335 IonicContact NH2-OE2 3.15Å; N333-E335 PolarHBondContact O-N 3.17Å
336	P	85.1	Confident	90	Very high	79 Å²	79	49.1 Å²	49.1	51%	0.513	27%	0.268	S	S	.	.			trans	-66	153.8	-174.7	27.7	-35.5	0	0	0	110.2	S338 S339	P336-S338 PolarHBondContact O-N 3.19Å; P336-S339 WeakPolarHBondContact O-CB 3.42Å; P336-S339 PolarHBondContact O-N 3.28Å; P336-S339 PolarHBondContact O-OG 3.25Å
337	F	85.6	Confident	90	Very high	33 Å²	33	49.2 Å²	49.2	15%	0.145	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-52.3	-30.3	177.6	179.3	-97.3	0	0	0	113.3	W331 S339 I340 L360 P362 P405 L407	W331-F337 HydrophobicContact CH2-CD2 4.46Å; W331-F337 AromaticContact CZ2-CD2 3.61Å; W331-F337 HydrophobicContact CZ2-CD2 3.61Å; W331-F337 HydrophobicContact CZ2-CE2 4.02Å; F337-S339 PolarHBondContact O-N 2.85Å; F337-I340 HydrophobicContact CD2-CD1 4.18Å; F337-I340 WeakPolarHBondContact O-CB 3.32Å; F337-I340 PolarHBondContact O-N 2.82Å; F337-L360 HydrophobicContact CE2-CB 4.2Å; F337-L360 HydrophobicContact CE2-CD1 4.11Å; F337-L360 HydrophobicContact CZ-CB 3.97Å; F337-P362 HydrophobicContact CD1-CB 3.98Å; F337-P362 HydrophobicContact CD1-CG 4.01Å; F337-P362 HydrophobicContact CE1-CB 3.75Å; F337-P362 HydrophobicContact CE1-CG 3.57Å; F337-P362 HydrophobicContact CZ-CB 4.33Å; F337-P362 HydrophobicContact CZ-CG 4.39Å; F337-P405 HydrophobicContact CB-CG 4.29Å; F337-P405 HydrophobicContact CD1-CG 4.39Å; F337-P405 HydrophobicContact CD2-CG 4.34Å; F337-P405 HydrophobicContact CG-CG 4.07Å; F337-L407 HydrophobicContact CD2-CD2 4.5Å; F337-L407 HydrophobicContact CE2-CD2 3.86Å; F337-L407 HydrophobicContact CZ-CD2 4.14Å
338	S	86.2	Confident	90.2	Very high	108 Å²	108	49.2 Å²	49.2	76%	0.755	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-61.7	-18.9	176.2	53.4	0	0	0	0	114.6	P336	P336-S338 PolarHBondContact O-N 3.19Å
339	S	85.7	Confident	90.3	Very high	63 Å²	63	47.6 Å²	47.6	44%	0.441	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-83.2	-18.7	174.6	68.7	0	0	0	0	113.2	P336 F337	P336-S339 WeakPolarHBondContact O-CB 3.42Å; P336-S339 PolarHBondContact O-N 3.28Å; P336-S339 PolarHBondContact O-OG 3.25Å; F337-S339 PolarHBondContact O-N 2.85Å
340	I	85.7	Confident	90.2	Very high	26 Å²	26	50.3 Å²	50.3	13%	0.133	27%	0.268	C	S	.	.	S	Bend	trans	-80.1	127.9	-178.3	-58.2	179.2	0	0	0	108.8	W331 F337 S342 I345 L433	W331-I340 HydrophobicContact CD2-CD1 3.87Å; W331-I340 HydrophobicContact CE3-CD1 3.78Å; W331-I340 HydrophobicContact CH2-CD1 3.73Å; W331-I340 HydrophobicContact CZ2-CD1 3.79Å; W331-I340 HydrophobicContact CZ3-CD1 3.71Å; F337-I340 HydrophobicContact CD2-CD1 4.18Å; F337-I340 WeakPolarHBondContact O-CB 3.32Å; F337-I340 PolarHBondContact O-N 2.82Å; I340-S342 VanDerWaalsContact C-N 3.31Å; I340-S342 PolarHBondContact O-N 3.22Å; I340-I345 HydrophobicContact CG2-CD1 3.67Å; I340-I345 HydrophobicContact CG2-CG1 3.81Å; I340-L433 HydrophobicContact CG2-CD1 4.16Å
341	N	86.9	Confident	90	Very high	102 Å²	102	51.4 Å²	51.4	55%	0.545	27%	0.274	S	S	.	.			trans	-71.9	87.6	172.2	-177.2	-6.3	0	0	0	110.3	R343 N344 I345	N341-R343 PolarHBondContact O-N 2.87Å; N341-R343 PolarHBondContact OD1-N 2.89Å; N341-N344 PolarHBondContact O-N 2.88Å; N341-N344 VanDerWaalsContact O-N 3.08Å; N341-I345 WeakPolarHBondContact O-CG1 3.49Å
342	S	85.4	Confident	89.7	Confident	36 Å²	36	54.2 Å²	54.2	25%	0.252	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-3.4	-173	65.9	0	0	0	0	116.1	I340 I359 L360	I340-S342 VanDerWaalsContact C-N 3.31Å; I340-S342 PolarHBondContact O-N 3.22Å; S342-I359 CarbonylContact O-C 3.6Å; S342-I359 VanDerWaalsContact O-CA 3.27Å; S342-I359 WeakPolarHBondContact O-CA 3.21Å; S342-L360 WeakPolarHBondContact CB-O 3.44Å; S342-L360 PolarHBondContact O-N 3.15Å
343	R	84.1	Confident	89.6	Confident	199 Å²	199	55.8 Å²	55.8	75%	0.751	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	-6.6	177.2	-66.6	-174.3	-178.3	170.6	1.4	114.4	N341	N341-R343 PolarHBondContact O-N 2.87Å; N341-R343 PolarHBondContact OD1-N 2.89Å
344	N	84.5	Confident	89.5	Confident	97 Å²	97	60.9 Å²	60.9	52%	0.519	31%	0.311	S	S	.	.	S	Bend	trans	-136.1	49.8	-177.4	-162.8	36.6	0	0	0	111	N341	N341-N344 PolarHBondContact O-N 2.88Å; N341-N344 VanDerWaalsContact O-N 3.08Å
345	I	94.4	Very high	89.6	Confident	4 Å²	4	59.5 Å²	59.5	2%	0.021	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	144.2	176.5	-63.8	-52.2	0	0	0	109.5	I340 N341 N357 C358 L360 F426 L433	I340-I345 HydrophobicContact CG2-CD1 3.67Å; I340-I345 HydrophobicContact CG2-CG1 3.81Å; N341-I345 WeakPolarHBondContact O-CG1 3.49Å; I345-N357 CarbonylContact O-C 3.46Å; I345-N357 WeakPolarHBondContact O-CA 3.19Å; I345-C358 PolarHBondContact O-N 3.34Å; I345-C358 PolarHBondContact O-SG 2.64Å; I345-C358 VanDerWaalsContact O-SG 3.39Å; I345-L360 HydrophobicContact CB-CD1 4.35Å; I345-L360 HydrophobicContact CG1-CD1 4.25Å; I345-L360 HydrophobicContact CG2-CD1 4.2Å; I345-F426 HydrophobicContact CG2-CB 3.82Å; I345-F426 HydrophobicContact CG2-CD1 3.93Å; I345-F426 HydrophobicContact CG2-CG 4.29Å; I345-L433 HydrophobicContact CD1-CD1 3.56Å
346	Q	96.4	Very high	90	Very high	49 Å²	49	55.6 Å²	55.6	23%	0.229	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	125.1	175.8	-88.7	179.1	-4.5	0	0	110.6	P355 N357 F426 Y427	Q346-P355 HydrophobicContact CB-CB 3.76Å; Q346-P355 HydrophobicContact CB-CG 4.24Å; Q346-P355 HydrophobicContact CG-CB 4.13Å; Q346-P355 HydrophobicContact CG-CG 4.28Å; Q346-N357 WeakPolarHBondContact CG-OD1 3.36Å; Q346-F426 CarbonylContact O-C 3.49Å; Q346-F426 VanDerWaalsContact O-CA 3.32Å; Q346-F426 WeakPolarHBondContact O-CA 3.32Å; Q346-Y427 PolarHBondContact N-O 2.88Å; Q346-Y427 PolarHBondContact O-N 3.01Å
347	F	96.9	Very high	90.5	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.009	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	130	177.1	171.7	-89.4	0	0	0	110.8	W349 P355 V356 C358 I409 L411 I418 C424 F426 I438	F347-W349 HydrophobicContact CE1-CB 3.76Å; F347-W349 AromaticContact CE1-CD1 3.56Å; F347-W349 AromaticContact CE1-CG 3.91Å; F347-W349 HydrophobicContact CE1-CG 3.91Å; F347-W349 HydrophobicContact CZ-CB 3.74Å; F347-W349 HydrophobicContact CZ-CG 4.21Å; F347-P355 CarbonylContact O-C 3.48Å; F347-P355 WeakPolarHBondContact O-CA 3.44Å; F347-V356 PolarHBondContact N-O 2.91Å; F347-V356 PolarHBondContact O-N 2.79Å; F347-C358 HydrophobicContact CB-CB 3.95Å; F347-I409 HydrophobicContact CD2-CD1 4.07Å; F347-I409 HydrophobicContact CD2-CG2 3.97Å; F347-I409 HydrophobicContact CE2-CD1 3.85Å; F347-I409 HydrophobicContact CE2-CG2 4.3Å; F347-L411 HydrophobicContact CB-CD2 3.86Å; F347-L411 HydrophobicContact CD1-CD1 4.24Å; F347-L411 HydrophobicContact CD1-CD2 3.48Å; F347-L411 VanDerWaalsContact CD1-CD2 3.48Å; F347-L411 HydrophobicContact CD2-CD2 4.22Å; F347-L411 HydrophobicContact CE1-CD1 4.13Å; F347-L411 HydrophobicContact CE1-CD2 3.97Å; F347-L411 HydrophobicContact CG-CD2 3.61Å; F347-I418 HydrophobicContact CE1-CD1 4.45Å; F347-C424 HydrophobicContact CD2-CB 3.66Å; F347-C424 HydrophobicContact CE2-CB 3.12Å; F347-C424 HydrophobicContact CZ-CB 3.72Å; F347-F426 HydrophobicContact CD2-CE1 4.1Å; F347-I438 HydrophobicContact CZ-CD1 4.38Å
348	Q	96.4	Very high	91.1	Very high	3 Å²	3	53 Å²	53	1%	0.014	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	129.5	172.2	-169.8	-173.5	30	0	0	109	F194 Q350 N351 W353 P355 C424 A425 Y427	F194-Q348 HydrophobicContact CD2-CG 4.23Å; F194-Q348 WeakPolarHBondContact CE2-O 3.42Å; Q348-Q350 VanDerWaalsContact CG-O 3.28Å; Q348-Q350 WeakPolarHBondContact CG-O 3.4Å; Q348-Q350 PolarHBondContact NE2-O 3.33Å; Q348-N351 PolarHBondContact NE2-O 2.78Å; Q348-W353 PolarHBondContact NE2-O 2.82Å; Q348-P355 HydrophobicContact CB-CB 4.24Å; Q348-C424 CarbonylContact O-C 3.39Å; Q348-C424 WeakPolarHBondContact O-CA 3.37Å; Q348-A425 PolarHBondContact N-O 3.25Å; Q348-A425 PolarHBondContact O-N 3.38Å; Q348-Y427 HydrophobicContact CB-CD2 4.4Å; Q348-Y427 HydrophobicContact CB-CE2 3.8Å; Q348-Y427 VanDerWaalsContact OE1-CE2 3.26Å; Q348-Y427 PolarHBondContact OE1-OH 2.92Å
349	W	94.8	Very high	91.6	Very high	11 Å²	11	51 Å²	51	4%	0.042	25%	0.247	C	C	.	.	S	Bend	trans	-121.7	-7.3	176.2	77.6	-76.7	0	0	0	113.3	F194 F347 W353 R416 C417 A419 Q422 W423 C424 I438	F194-W349 WeakPolarHBondContact CZ-O 3.41Å; F347-W349 HydrophobicContact CE1-CB 3.76Å; F347-W349 AromaticContact CE1-CD1 3.56Å; F347-W349 AromaticContact CE1-CG 3.91Å; F347-W349 HydrophobicContact CE1-CG 3.91Å; F347-W349 HydrophobicContact CZ-CB 3.74Å; F347-W349 HydrophobicContact CZ-CG 4.21Å; W349-W353 AromaticContact CE2-CZ3 3.77Å; W349-W353 HydrophobicContact CZ2-CE3 4.23Å; W349-W353 AromaticContact CZ2-CH2 3.85Å; W349-W353 HydrophobicContact CZ2-CH2 3.85Å; W349-W353 AromaticContact CZ2-CZ3 3.45Å; W349-W353 HydrophobicContact CZ2-CZ3 3.45Å; W349-W353 VanDerWaalsContact CZ2-CZ3 3.45Å; W349-W353 AromaticContact NE1-CE3 3.78Å; W349-W353 AromaticContact NE1-CZ3 3.61Å; W349-R416 WeakPolarHBondContact CZ2-O 3.34Å; W349-C417 WeakPolarHBondContact CH2-O 3.39Å; W349-C417 WeakPolarHBondContact CZ3-O 3.46Å; W349-A419 HydrophobicContact CZ3-CB 4.48Å; W349-Q422 HydrophobicContact CE3-CB 4.22Å; W349-Q422 HydrophobicContact CE3-CG 4.24Å; W349-Q422 HydrophobicContact CZ3-CG 4.16Å; W349-W423 WeakPolarHBondContact CA-O 3.41Å; W349-C424 HydrophobicContact CB-CB 4.32Å; W349-I438 HydrophobicContact CB-CD1 3.97Å
350	Q	93.2	Very high	92.1	Very high	56 Å²	56	48.1 Å²	48.1	26%	0.262	23%	0.226	S	C	.	.	S	Bend	trans	-125.7	123.6	172.1	-74.4	-67.8	-17.1	0	0	108.3	Q348 K352 W353	Q348-Q350 VanDerWaalsContact CG-O 3.28Å; Q348-Q350 WeakPolarHBondContact CG-O 3.4Å; Q348-Q350 PolarHBondContact NE2-O 3.33Å; Q350-K352 PolarHBondContact O-N 3.15Å; Q350-K352 VanDerWaalsContact O-N 3.13Å; Q350-W353 HydrophobicContact CB-CB 3.94Å; Q350-W353 HydrophobicContact CB-CD2 3.54Å; Q350-W353 HydrophobicContact CB-CE3 3.79Å; Q350-W353 HydrophobicContact CB-CG 3.61Å; Q350-W353 HydrophobicContact CG-CD2 3.85Å; Q350-W353 HydrophobicContact CG-CE3 3.79Å; Q350-W353 HydrophobicContact CG-CG 4.44Å; Q350-W353 HydrophobicContact CG-CH2 4.33Å; Q350-W353 HydrophobicContact CG-CZ2 4.37Å; Q350-W353 HydrophobicContact CG-CZ3 4.07Å; Q350-W353 PolarHBondContact O-N 3.43Å
351	N	89.4	Confident	92.6	Very high	27 Å²	27	50.8 Å²	50.8	14%	0.144	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-23.7	-173	75.8	-54.8	0	0	0	113.8	F194 W195 Q348	F194-N351 HydrophobicContact CB-CB 4.06Å; F194-N351 HydrophobicContact CD1-CB 3.51Å; F194-N351 HydrophobicContact CE1-CB 4.13Å; F194-N351 HydrophobicContact CG-CB 3.86Å; W195-N351 HydrophobicContact CH2-CB 4.44Å; W195-N351 HydrophobicContact CZ2-CB 3.64Å; W195-N351 VanDerWaalsContact CZ2-ND2 3.32Å; W195-N351 WeakPolarHBondContact CZ2-ND2 3.47Å; W195-N351 PolarHBondContact NE1-ND2 2.89Å; Q348-N351 PolarHBondContact NE2-O 2.78Å
352	K	88.2	Confident	93	Very high	79 Å²	79	49 Å²	49	34%	0.343	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-0.1	177.7	-65.2	-54.8	-175.8	-171.3	0	114.1	V189 Q350 L463	V189-K352 PolarHBondContact O-NZ 3.45Å; Q350-K352 PolarHBondContact O-N 3.15Å; Q350-K352 VanDerWaalsContact O-N 3.13Å; K352-L463 WeakPolarHBondContact O-CB 3.44Å; K352-L463 PolarHBondContact O-N 3.03Å
353	W	91.6	Very high	93.5	Very high	32 Å²	32	49.5 Å²	49.5	12%	0.121	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-103.9	144.5	179.8	-64.9	-2.1	0	0	0	110.7	Q348 W349 Q350 M415 R416 W456 H458 Y461	Q348-W353 PolarHBondContact NE2-O 2.82Å; W349-W353 AromaticContact CE2-CZ3 3.77Å; W349-W353 HydrophobicContact CZ2-CE3 4.23Å; W349-W353 AromaticContact CZ2-CH2 3.85Å; W349-W353 HydrophobicContact CZ2-CH2 3.85Å; W349-W353 AromaticContact CZ2-CZ3 3.45Å; W349-W353 HydrophobicContact CZ2-CZ3 3.45Å; W349-W353 VanDerWaalsContact CZ2-CZ3 3.45Å; W349-W353 AromaticContact NE1-CE3 3.78Å; W349-W353 AromaticContact NE1-CZ3 3.61Å; Q350-W353 HydrophobicContact CB-CB 3.94Å; Q350-W353 HydrophobicContact CB-CD2 3.54Å; Q350-W353 HydrophobicContact CB-CE3 3.79Å; Q350-W353 HydrophobicContact CB-CG 3.61Å; Q350-W353 HydrophobicContact CG-CD2 3.85Å; Q350-W353 HydrophobicContact CG-CE3 3.79Å; Q350-W353 HydrophobicContact CG-CG 4.44Å; Q350-W353 HydrophobicContact CG-CH2 4.33Å; Q350-W353 HydrophobicContact CG-CZ2 4.37Å; Q350-W353 HydrophobicContact CG-CZ3 4.07Å; Q350-W353 PolarHBondContact O-N 3.43Å; W353-M415 HydrophobicContact CE3-CE 3.49Å; W353-M415 VanDerWaalsContact CE3-CE 3.49Å; W353-M415 HydrophobicContact CZ3-CE 3.94Å; W353-R416 HydrophobicContact CH2-CB 4.38Å; W353-W456 HydrophobicContact CH2-CH2 4.2Å; W353-W456 AromaticContact CH2-CZ2 3.71Å; W353-W456 HydrophobicContact CH2-CZ2 3.71Å; W353-W456 HydrophobicContact CZ2-CH2 4.25Å; W353-W456 HydrophobicContact CZ2-CZ2 4.02Å; W353-W456 AromaticContact CZ3-CZ2 4Å; W353-W456 HydrophobicContact CZ3-CZ2 4Å; W353-H458 AromaticContact NE1-CD2 3.83Å; W353-H458 AromaticContact NE1-NE2 3.45Å; W353-H458 PolarHBondContact NE1-NE2 2.96Å; W353-Y461 CarbonylContact C-O 3.51Å; W353-Y461 VanDerWaalsContact CA-O 3.22Å; W353-Y461 WeakPolarHBondContact CA-O 3.37Å
354	R	91.6	Very high	93.9	Very high	126 Å²	126	44.8 Å²	44.8	48%	0.475	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-60	141.6	169.8	-69.9	174.9	-170	175.6	-3.4	109.2	D460 Y461 L463	R354-D460 WeakPolarHBondContact CD-O 3.16Å; R354-D460 PolarHBondContact NH1-O 3.46Å; R354-Y461 WeakPolarHBondContact CG-O 3.21Å; R354-Y461 PolarHBondContact N-O 2.96Å; R354-L463 HydrophobicContact CG-CD2 3.67Å; R354-L463 HydrophobicContact CG-CG 4.25Å
355	P	93.8	Very high	94.3	Very high	24 Å²	24	43 Å²	43	16%	0.156	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-65.5	154.8	172.6	27.7	-32.8	0	0	0	111.1	Q346 F347 Q348	Q346-P355 HydrophobicContact CB-CB 3.76Å; Q346-P355 HydrophobicContact CB-CG 4.24Å; Q346-P355 HydrophobicContact CG-CB 4.13Å; Q346-P355 HydrophobicContact CG-CG 4.28Å; F347-P355 CarbonylContact O-C 3.48Å; F347-P355 WeakPolarHBondContact O-CA 3.44Å; Q348-P355 HydrophobicContact CB-CB 4.24Å
356	V	94.6	Very high	94.2	Very high	12 Å²	12	43.4 Å²	43.4	7%	0.073	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	142.2	174.9	-175.8	0	0	0	0	108.4	F347 E412 A413 M415 Y461	F347-V356 PolarHBondContact N-O 2.91Å; F347-V356 PolarHBondContact O-N 2.79Å; V356-E412 HydrophobicContact CG1-CB 4.36Å; V356-A413 HydrophobicContact CG1-CB 4.24Å; V356-M415 HydrophobicContact CG2-CE 3.98Å; V356-M415 HydrophobicContact CG2-CG 4.13Å; V356-M415 HydrophobicContact CG2-SD 3.57Å; V356-M415 VanDerWaalsContact CG2-SD 3.57Å; V356-Y461 HydrophobicContact CG2-CD1 4.09Å; V356-Y461 HydrophobicContact CG2-CE1 3.6Å
357	N	96.3	Very high	94	Very high	53 Å²	53	44.2 Å²	44.2	28%	0.283	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	147.4	176.2	-56.1	-40	0	0	0	110.5	I345 Q346 E412	I345-N357 CarbonylContact O-C 3.46Å; I345-N357 WeakPolarHBondContact O-CA 3.19Å; Q346-N357 WeakPolarHBondContact CG-OD1 3.36Å; N357-E412 HydrophobicContact CB-CB 4.19Å; N357-E412 VanDerWaalsContact CB-OE2 3.3Å; N357-E412 WeakPolarHBondContact CB-OE2 3.45Å; N357-E412 PolarHBondContact ND2-OE2 3.28Å; N357-E412 WeakPolarHBondContact O-CB 3.5Å; N357-E412 PolarHBondContact O-N 2.95Å
358	C	96.9	Very high	93.9	Very high	4 Å²	4	48.2 Å²	48.2	3%	0.027	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	163.7	-180	72.3	0	0	0	0	112.2	I345 F347 I409 E410 L411	I345-C358 PolarHBondContact O-N 3.34Å; I345-C358 PolarHBondContact O-SG 2.64Å; I345-C358 VanDerWaalsContact O-SG 3.39Å; F347-C358 HydrophobicContact CB-CB 3.95Å; C358-I409 HydrophobicContact CB-CG2 3.85Å; C358-E410 CarbonylContact C-O 3.5Å; C358-E410 WeakPolarHBondContact CA-O 3.33Å; C358-E410 WeakPolarHBondContact CB-O 3.16Å; C358-L411 HydrophobicContact CB-CD2 3.75Å
359	I	96.7	Very high	93.8	Very high	66 Å²	66	48 Å²	48	34%	0.338	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	129.9	170.3	-59.6	171.2	0	0	0	108.5	S342 I409 E410	S342-I359 CarbonylContact O-C 3.6Å; S342-I359 VanDerWaalsContact O-CA 3.27Å; S342-I359 WeakPolarHBondContact O-CA 3.21Å; I359-I409 WeakPolarHBondContact O-CA 3.26Å; I359-E410 PolarHBondContact N-O 2.8Å; I359-E410 PolarHBondContact O-N 2.76Å
360	L	96.7	Very high	93.7	Very high	2 Å²	2	48 Å²	48	1%	0.01	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	134.7	177.9	-52.6	-177.6	0	0	0	110.9	W331 F337 S342 I345 L407 I409 F426	W331-L360 HydrophobicContact CH2-CD1 4.3Å; F337-L360 HydrophobicContact CE2-CB 4.2Å; F337-L360 HydrophobicContact CE2-CD1 4.11Å; F337-L360 HydrophobicContact CZ-CB 3.97Å; S342-L360 WeakPolarHBondContact CB-O 3.44Å; S342-L360 PolarHBondContact O-N 3.15Å; I345-L360 HydrophobicContact CB-CD1 4.35Å; I345-L360 HydrophobicContact CG1-CD1 4.25Å; I345-L360 HydrophobicContact CG2-CD1 4.2Å; L360-L407 HydrophobicContact CD1-CD1 4.48Å; L360-I409 HydrophobicContact CD2-CB 4.36Å; L360-I409 HydrophobicContact CD2-CD1 4.43Å; L360-I409 HydrophobicContact CD2-CG1 3.83Å; L360-I409 HydrophobicContact CD2-CG2 4.03Å; L360-F426 HydrophobicContact CD1-CD1 4.15Å; L360-F426 HydrophobicContact CD1-CE1 4.23Å; L360-F426 HydrophobicContact CD2-CD1 4.09Å; L360-F426 HydrophobicContact CD2-CE1 3.55Å; L360-F426 HydrophobicContact CD2-CZ 4.25Å
361	K	95.5	Very high	93.7	Very high	83 Å²	83	47.8 Å²	47.8	36%	0.361	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	125.6	170.2	-67.3	-167.3	-178.7	-161.9	0	110.9	F363 Y372 L407 S408	K361-F363 HydrophobicContact CB-CE2 3.81Å; K361-F363 HydrophobicContact CB-CZ 4.39Å; K361-F363 WeakPolarHBondContact O-CD2 3.2Å; K361-F363 WeakPolarHBondContact O-CE2 3.13Å; K361-Y372 HydrophobicContact CD-CE1 3.77Å; K361-Y372 HydrophobicContact CD-CE2 4.11Å; K361-Y372 WeakPolarHBondContact CE-OH 3.19Å; K361-Y372 PolarHBondContact NZ-OH 3.45Å; K361-L407 WeakPolarHBondContact O-CA 3.42Å; K361-S408 PolarHBondContact N-O 2.84Å; K361-S408 PolarHBondContact O-N 3.32Å
362	P	95.8	Very high	93.9	Very high	64 Å²	64	49.2 Å²	49.2	42%	0.416	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	146.9	-176	35.4	-36.4	0	0	0	112.8	F337 P405 C406	F337-P362 HydrophobicContact CD1-CB 3.98Å; F337-P362 HydrophobicContact CD1-CG 4.01Å; F337-P362 HydrophobicContact CE1-CB 3.75Å; F337-P362 HydrophobicContact CE1-CG 3.57Å; F337-P362 HydrophobicContact CZ-CB 4.33Å; F337-P362 HydrophobicContact CZ-CG 4.39Å; P362-P405 HydrophobicContact CB-CB 3.68Å; P362-P405 HydrophobicContact CB-CG 3.47Å; P362-P405 VanDerWaalsContact CB-CG 3.47Å; P362-C406 CarbonylContact C-O 3.52Å; P362-C406 WeakPolarHBondContact CA-O 3.27Å
363	F	95.3	Very high	94.1	Very high	46 Å²	46	45.6 Å²	45.6	20%	0.202	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	156.3	176.2	-65	-88.9	0	0	0	110.9	K361 D365 L368 A369 Y372 P405 C406 S408	K361-F363 HydrophobicContact CB-CE2 3.81Å; K361-F363 HydrophobicContact CB-CZ 4.39Å; K361-F363 WeakPolarHBondContact O-CD2 3.2Å; K361-F363 WeakPolarHBondContact O-CE2 3.13Å; F363-D365 VanDerWaalsContact C-N 3.33Å; F363-L368 HydrophobicContact CB-CB 4.23Å; F363-L368 HydrophobicContact CD1-CB 3.87Å; F363-L368 HydrophobicContact CG-CB 4.37Å; F363-A369 HydrophobicContact CB-CB 4.01Å; F363-A369 HydrophobicContact CD2-CB 3.79Å; F363-A369 HydrophobicContact CG-CB 4.01Å; F363-Y372 HydrophobicContact CE1-CD2 4.24Å; F363-Y372 HydrophobicContact CE1-CG 4.28Å; F363-Y372 HydrophobicContact CE2-CG 4.13Å; F363-Y372 VanDerWaalsContact CZ-CB 3.49Å; F363-Y372 HydrophobicContact CZ-CD1 4.21Å; F363-Y372 AromaticContact CZ-CD2 3.6Å; F363-Y372 HydrophobicContact CZ-CD2 3.6Å; F363-Y372 HydrophobicContact CZ-CE2 4.48Å; F363-Y372 AromaticContact CZ-CG 3.46Å; F363-Y372 HydrophobicContact CZ-CG 3.46Å; F363-Y372 VanDerWaalsContact CZ-CG 3.46Å; F363-P405 WeakPolarHBondContact O-CB 3.48Å; F363-C406 HydrophobicContact CB-CB 4.48Å; F363-C406 PolarHBondContact N-O 2.91Å; F363-C406 PolarHBondContact O-N 3.28Å; F363-S408 WeakPolarHBondContact CD2-OG 3.48Å; F363-S408 WeakPolarHBondContact CE2-OG 2.92Å
364	S	94	Very high	93.9	Very high	101 Å²	101	47.2 Å²	47.2	71%	0.706	25%	0.254	S	S	*	.	S	Bend	trans	-69.7	-29.8	178.1	49.3	0	0	0	0	113.4	L368	S364-L368 VanDerWaalsContact OG-CD1 3.3Å; S364-L368 WeakPolarHBondContact OG-CD1 3.48Å
365	D	92.8	Very high	93.6	Very high	60 Å²	60	47.5 Å²	47.5	32%	0.321	26%	0.259	S	S	.	.	S	Bend	trans	-148.9	165.4	-177.4	63.1	78.8	0	0	0	111.8	F363 S367 L368 A369 C406	F363-D365 VanDerWaalsContact C-N 3.33Å; D365-S367 VanDerWaalsContact C-N 3.3Å; D365-S367 PolarHBondContact O-N 3.35Å; D365-S367 WeakPolarHBondContact OD1-CA 3.3Å; D365-S367 VanDerWaalsContact OD1-CB 3.25Å; D365-S367 WeakPolarHBondContact OD1-CB 3.44Å; D365-S367 PolarHBondContact OD1-N 3.39Å; D365-L368 PolarHBondContact O-N 2.87Å; D365-L368 PolarHBondContact OD1-N 3.09Å; D365-L368 VanDerWaalsContact OD2-CD1 3.28Å; D365-L368 WeakPolarHBondContact OD2-CD1 3.41Å; D365-L368 WeakPolarHBondContact OD2-CG 3.47Å; D365-A369 PolarHBondContact O-N 2.95Å; D365-A369 VanDerWaalsContact O-N 3.14Å; D365-C406 VanDerWaalsContact C-SG 3.51Å
366	V	92.4	Very high	93.2	Very high	11 Å²	11	48.9 Å²	48.9	7%	0.067	27%	0.265	C	S	.	.	H	α-helix	trans	-67	-32.6	-176.7	-179.4	0	0	0	0	111.8	A369 S370 A387 A390 C406 C439	V366-A369 PolarHBondContact O-N 2.77Å; V366-S370 WeakPolarHBondContact O-CB 3.01Å; V366-S370 PolarHBondContact O-N 3Å; V366-A387 HydrophobicContact CG1-CB 4.44Å; V366-A390 HydrophobicContact CG2-CB 4.15Å; V366-C406 HydrophobicContact CG2-CB 4.42Å; V366-C406 PolarHBondContact N-SG 3.44Å; V366-C439 HydrophobicContact CG1-CB 3.8Å
367	S	91.6	Very high	93	Very high	67 Å²	67	49.4 Å²	49.4	47%	0.469	27%	0.267	S	S	.	.	H	α-helix	trans	-65.1	-45.9	-179.6	-59.8	0	0	0	0	110.4	D365 S370 A371	D365-S367 VanDerWaalsContact C-N 3.3Å; D365-S367 PolarHBondContact O-N 3.35Å; D365-S367 WeakPolarHBondContact OD1-CA 3.3Å; D365-S367 VanDerWaalsContact OD1-CB 3.25Å; D365-S367 WeakPolarHBondContact OD1-CB 3.44Å; D365-S367 PolarHBondContact OD1-N 3.39Å; S367-S370 PolarHBondContact O-N 3.14Å; S367-S370 PolarHBondContact O-OG 3.04Å; S367-A371 WeakPolarHBondContact O-CB 3.37Å; S367-A371 PolarHBondContact O-N 2.77Å
368	L	93.9	Very high	92.7	Very high	85 Å²	85	54.4 Å²	54.4	45%	0.445	29%	0.286	S	S	.	.	H	α-helix	trans	-64.9	-42.5	174.4	-67.2	-178.7	0	0	0	112.4	F363 S364 D365 S370 A371 Y372	F363-L368 HydrophobicContact CB-CB 4.23Å; F363-L368 HydrophobicContact CD1-CB 3.87Å; F363-L368 HydrophobicContact CG-CB 4.37Å; S364-L368 VanDerWaalsContact OG-CD1 3.3Å; S364-L368 WeakPolarHBondContact OG-CD1 3.48Å; D365-L368 PolarHBondContact O-N 2.87Å; D365-L368 PolarHBondContact OD1-N 3.09Å; D365-L368 VanDerWaalsContact OD2-CD1 3.28Å; D365-L368 WeakPolarHBondContact OD2-CD1 3.41Å; D365-L368 WeakPolarHBondContact OD2-CG 3.47Å; L368-S370 VanDerWaalsContact C-N 3.27Å; L368-S370 PolarHBondContact O-N 2.68Å; L368-A371 PolarHBondContact O-N 3.41Å; L368-Y372 PolarHBondContact O-N 3.08Å
369	A	94.3	Very high	92.4	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-60	-38.5	175.2	0	0	0	0	0	112.1	W325 F363 D365 V366 C406 S408	W325-A369 HydrophobicContact CB-CB 4.11Å; F363-A369 HydrophobicContact CB-CB 4.01Å; F363-A369 HydrophobicContact CD2-CB 3.79Å; F363-A369 HydrophobicContact CG-CB 4.01Å; D365-A369 PolarHBondContact O-N 2.95Å; D365-A369 VanDerWaalsContact O-N 3.14Å; V366-A369 PolarHBondContact O-N 2.77Å; A369-C406 HydrophobicContact CB-CB 4.28Å; A369-S408 WeakPolarHBondContact CA-OG 3.45Å; A369-S408 PolarHBondContact O-OG 2.86Å
370	S	93.2	Very high	91.6	Very high	11 Å²	11	61.8 Å²	61.8	8%	0.077	31%	0.31	C	S	.	.	H	α-helix	trans	-70.5	-44.1	175.7	82.3	0	0	0	0	111.9	W325 V366 S367 L368 Y372 F373 R374	W325-S370 VanDerWaalsContact CE2-CB 3.48Å; V366-S370 WeakPolarHBondContact O-CB 3.01Å; V366-S370 PolarHBondContact O-N 3Å; S367-S370 PolarHBondContact O-N 3.14Å; S367-S370 PolarHBondContact O-OG 3.04Å; L368-S370 VanDerWaalsContact C-N 3.27Å; L368-S370 PolarHBondContact O-N 2.68Å; S370-Y372 PolarHBondContact O-N 3.18Å; S370-F373 PolarHBondContact O-N 3.05Å; S370-R374 VanDerWaalsContact O-CG 3.31Å; S370-R374 WeakPolarHBondContact O-CG 3.03Å; S370-R374 PolarHBondContact O-N 3.15Å
371	A	92.5	Very high	90.5	Very high	51 Å²	51	64.4 Å²	64.4	42%	0.421	32%	0.324	S	S	.	.	H	α-helix	trans	-59.9	-34.4	-179	0	0	0	0	0	111.8	S367 L368 F373 R374	S367-A371 WeakPolarHBondContact O-CB 3.37Å; S367-A371 PolarHBondContact O-N 2.77Å; L368-A371 PolarHBondContact O-N 3.41Å; A371-F373 VanDerWaalsContact C-N 3.26Å; A371-F373 PolarHBondContact O-N 3.2Å; A371-R374 PolarHBondContact O-N 2.95Å
372	Y	94.5	Very high	89.6	Confident	57 Å²	57	62.5 Å²	62.5	22%	0.224	32%	0.315	C	S	.	.	H	α-helix	trans	-54.9	-38.8	178.2	179.8	-98.6	0	0	0	113.3	K361 F363 L368 S370 K375	K361-Y372 HydrophobicContact CD-CE1 3.77Å; K361-Y372 HydrophobicContact CD-CE2 4.11Å; K361-Y372 WeakPolarHBondContact CE-OH 3.19Å; K361-Y372 PolarHBondContact NZ-OH 3.45Å; F363-Y372 HydrophobicContact CE1-CD2 4.24Å; F363-Y372 HydrophobicContact CE1-CG 4.28Å; F363-Y372 HydrophobicContact CE2-CG 4.13Å; F363-Y372 VanDerWaalsContact CZ-CB 3.49Å; F363-Y372 HydrophobicContact CZ-CD1 4.21Å; F363-Y372 AromaticContact CZ-CD2 3.6Å; F363-Y372 HydrophobicContact CZ-CD2 3.6Å; F363-Y372 HydrophobicContact CZ-CE2 4.48Å; F363-Y372 AromaticContact CZ-CG 3.46Å; F363-Y372 HydrophobicContact CZ-CG 3.46Å; F363-Y372 VanDerWaalsContact CZ-CG 3.46Å; L368-Y372 PolarHBondContact O-N 3.08Å; S370-Y372 PolarHBondContact O-N 3.18Å; Y372-K375 WeakPolarHBondContact O-CD 3.33Å; Y372-K375 WeakPolarHBondContact O-CE 3.23Å; Y372-K375 WeakPolarHBondContact O-CG 3.07Å
373	F	92	Very high	88.2	Confident	3 Å²	3	65.6 Å²	65.6	1%	0.013	33%	0.329	C	S	.	.	H	α-helix	trans	-99.3	-23.8	177.5	-70.4	-48	0	0	0	113.9	K323 C324 S370 A371 K375 D376 S408 I409 E410 I442	K323-F373 HydrophobicContact CB-CD1 4.19Å; K323-F373 HydrophobicContact CB-CD2 3.89Å; K323-F373 HydrophobicContact CB-CE1 4.29Å; K323-F373 HydrophobicContact CB-CE2 3.96Å; K323-F373 HydrophobicContact CB-CG 4Å; K323-F373 HydrophobicContact CB-CZ 4.2Å; K323-F373 HydrophobicContact CD-CD1 3.61Å; K323-F373 HydrophobicContact CD-CE1 3.88Å; K323-F373 HydrophobicContact CD-CG 4.12Å; K323-F373 HydrophobicContact CG-CD1 3.91Å; K323-F373 HydrophobicContact CG-CD2 4.44Å; K323-F373 HydrophobicContact CG-CE1 3.79Å; K323-F373 HydrophobicContact CG-CE2 4.29Å; K323-F373 HydrophobicContact CG-CG 4.26Å; K323-F373 HydrophobicContact CG-CZ 4Å; C324-F373 WeakPolarHBondContact O-CE2 3.45Å; S370-F373 PolarHBondContact O-N 3.05Å; A371-F373 VanDerWaalsContact C-N 3.26Å; A371-F373 PolarHBondContact O-N 3.2Å; F373-K375 PolarHBondContact O-N 2.73Å; F373-K375 VanDerWaalsContact O-N 3.1Å; F373-D376 WeakPolarHBondContact O-CB 3.28Å; F373-D376 PolarHBondContact O-N 2.84Å; F373-S408 VanDerWaalsContact CE2-CB 3.43Å; F373-I409 WeakPolarHBondContact CE2-O 3.48Å; F373-E410 HydrophobicContact CE1-CB 4.37Å; F373-E410 HydrophobicContact CZ-CB 3.96Å; F373-I442 VanDerWaalsContact C-CD1 3.46Å; F373-I442 HydrophobicContact CB-CD1 3.5Å; F373-I442 VanDerWaalsContact CB-CD1 3.5Å; F373-I442 HydrophobicContact CB-CG1 4.46Å; F373-I442 WeakPolarHBondContact O-CD1 3.45Å
374	R	86.9	Confident	86.8	Confident	66 Å²	66	64.6 Å²	64.6	25%	0.249	33%	0.327	C	S	.	.	H	α-helix	trans	-59.4	-23.4	178.3	-78.9	177.1	178.9	-152.1	0.1	113.7	S370 A371 D376 M377 Y380 N383 S384	S370-R374 VanDerWaalsContact O-CG 3.31Å; S370-R374 WeakPolarHBondContact O-CG 3.03Å; S370-R374 PolarHBondContact O-N 3.15Å; A371-R374 PolarHBondContact O-N 2.95Å; R374-D376 PolarHBondContact O-N 3.34Å; R374-M377 HydrophobicContact CB-SD 4.49Å; R374-M377 HydrophobicContact CG-SD 4.1Å; R374-M377 WeakPolarHBondContact O-CB 3.47Å; R374-M377 PolarHBondContact O-N 3.49Å; R374-Y380 PolarHBondContact O-OH 3.08Å; R374-N383 PolarHBondContact NH1-OD1 3.1Å; R374-S384 PolarHBondContact NH2-O 3.09Å
375	K	86.6	Confident	85.3	Confident	132 Å²	132	65.5 Å²	65.5	57%	0.574	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-21.7	171.8	75	-173.5	-175.9	-177.3	0	113.6	Y372 F373	Y372-K375 WeakPolarHBondContact O-CD 3.33Å; Y372-K375 WeakPolarHBondContact O-CE 3.23Å; Y372-K375 WeakPolarHBondContact O-CG 3.07Å; F373-K375 PolarHBondContact O-N 2.73Å; F373-K375 VanDerWaalsContact O-N 3.1Å
376	D	85.6	Confident	84.2	Confident	53 Å²	53	63.6 Å²	63.6	28%	0.283	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-9.4	179.2	-56.3	-23	0	0	0	111.8	K323 F373 R374	K323-D376 IonicContact NZ-OD2 3.62Å; K323-D376 PolarHBondContact NZ-OD2 3Å; F373-D376 WeakPolarHBondContact O-CB 3.28Å; F373-D376 PolarHBondContact O-N 2.84Å; R374-D376 PolarHBondContact O-N 3.34Å
377	M	88.8	Confident	83	Confident	23 Å²	23	64.6 Å²	64.6	11%	0.113	32%	0.324	C	S	.	.			trans	-71.8	131.2	178.3	-63.8	-177.3	86.1	0	0	110.6	R374 R379 Y380 I442 E446	R374-M377 HydrophobicContact CB-SD 4.49Å; R374-M377 HydrophobicContact CG-SD 4.1Å; R374-M377 WeakPolarHBondContact O-CB 3.47Å; R374-M377 PolarHBondContact O-N 3.49Å; M377-R379 WeakPolarHBondContact CE-O 3.31Å; M377-Y380 HydrophobicContact CB-CD1 4.38Å; M377-Y380 HydrophobicContact CB-CE1 3.72Å; M377-Y380 HydrophobicContact CB-CE2 4.41Å; M377-Y380 HydrophobicContact CG-CE1 4.43Å; M377-Y380 PolarHBondContact O-OH 3.31Å; M377-Y380 HydrophobicContact SD-CD1 4.32Å; M377-Y380 HydrophobicContact SD-CE1 4.07Å; M377-I442 HydrophobicContact CE-CG2 4.35Å; M377-I442 HydrophobicContact CG-CD1 3.72Å; M377-I442 HydrophobicContact CG-CG1 4.37Å; M377-I442 HydrophobicContact CG-CG2 3.86Å; M377-I442 HydrophobicContact SD-CD1 4.24Å; M377-I442 HydrophobicContact SD-CG1 4.5Å; M377-E446 CarbonylContact C-O 3.57Å; M377-E446 WeakPolarHBondContact CA-O 3.47Å; M377-E446 HydrophobicContact CE-CB 3.59Å; M377-E446 VanDerWaalsContact CE-CD 3.43Å; M377-E446 HydrophobicContact CE-CG 3.65Å; M377-E446 WeakPolarHBondContact CE-OE1 3.28Å
378	K	91.2	Very high	82.4	Confident	158 Å²	158	64.1 Å²	64.1	69%	0.687	32%	0.318	S	S	*	.	S	Bend	trans	-101.7	-14.6	170.8	-60.3	-172.3	-170.3	165.1	0	112.5	E446 E447	K378-E446 PolarHBondContact N-O 2.97Å; K378-E447 WeakPolarHBondContact CD-O 3.38Å; K378-E447 WeakPolarHBondContact CE-O 3.4Å
379	R	88.9	Confident	81.9	Confident	67 Å²	67	60.1 Å²	60.1	25%	0.253	30%	0.297	S	S	.	.			trans	-126.9	129.8	177.1	-59.1	-177	174.9	105.5	7.6	110.4	M377 W445 E446 G448 Q449 N450	M377-R379 WeakPolarHBondContact CE-O 3.31Å; R379-W445 WeakPolarHBondContact CD-O 3.35Å; R379-W445 PolarHBondContact NH1-O 3.04Å; R379-E446 PolarHBondContact N-O 2.8Å; R379-G448 VanDerWaalsContact NH1-CA 3.34Å; R379-Q449 PolarHBondContact NH1-O 3.39Å; R379-N450 VanDerWaalsContact CZ-OD1 3.27Å; R379-N450 PolarHBondContact NH1-OD1 3.39Å; R379-N450 PolarHBondContact NH2-OD1 3.36Å
380	Y	81.5	Confident	81	Confident	158 Å²	158	61.4 Å²	61.4	62%	0.62	31%	0.308	S	S	*	.			trans	-119.1	104.5	176.8	-61.1	-84.5	0	0	0	108.2	R374 M377	R374-Y380 PolarHBondContact O-OH 3.08Å; M377-Y380 HydrophobicContact CB-CD1 4.38Å; M377-Y380 HydrophobicContact CB-CE1 3.72Å; M377-Y380 HydrophobicContact CB-CE2 4.41Å; M377-Y380 HydrophobicContact CG-CE1 4.43Å; M377-Y380 PolarHBondContact O-OH 3.31Å; M377-Y380 HydrophobicContact SD-CD1 4.32Å; M377-Y380 HydrophobicContact SD-CE1 4.07Å
381	L	73.5	Confident	80.6	Confident	57 Å²	57	65.3 Å²	65.3	30%	0.298	34%	0.335	S	S	.	.			trans	-78.3	-54	176.6	-76.9	151.8	0	0	0	111	L266 K300 Y309	L266-L381 HydrophobicContact CD1-CD1 3.65Å; L266-L381 HydrophobicContact CD1-CD2 4.15Å; K300-L381 HydrophobicContact CD-CB 4.44Å; K300-L381 HydrophobicContact CD-CD1 3.68Å; Y309-L381 HydrophobicContact CE1-CD2 4.29Å
382	F	76.7	Confident	80.2	Confident	42 Å²	42	63.5 Å²	63.5	18%	0.184	32%	0.318	C	S	.	.			trans	-162.2	164	177.6	59.6	-87.8	0	0	0	109.3	K300 M301 D302 Y309 S384	K300-F382 HydrophobicContact CD-CE1 3.59Å; K300-F382 HydrophobicContact CD-CZ 3.85Å; K300-F382 VanDerWaalsContact CE-CE1 3.47Å; K300-F382 HydrophobicContact CG-CE1 3.76Å; K300-F382 HydrophobicContact CG-CZ 3.72Å; M301-F382 WeakPolarHBondContact O-CZ 3.46Å; D302-F382 HydrophobicContact CB-CD1 3.96Å; D302-F382 HydrophobicContact CB-CD2 4.15Å; D302-F382 HydrophobicContact CB-CE1 3.71Å; D302-F382 HydrophobicContact CB-CE2 3.9Å; D302-F382 HydrophobicContact CB-CG 4.19Å; D302-F382 HydrophobicContact CB-CZ 3.69Å; Y309-F382 HydrophobicContact CD2-CE1 4.1Å; Y309-F382 AromaticContact CE2-CD1 3.99Å; Y309-F382 HydrophobicContact CE2-CD1 3.99Å; Y309-F382 AromaticContact CE2-CE1 3.77Å; Y309-F382 HydrophobicContact CE2-CE1 3.77Å; F382-S384 PolarHBondContact O-N 2.84Å
383	N	66.1	Low	79.7	Confident	130 Å²	130	62.2 Å²	62.2	70%	0.695	32%	0.315	S	S	*	.			trans	-88.1	102.6	178.1	-139.3	-1.2	0	0	0	108.7	R374 D385	R374-N383 PolarHBondContact NH1-OD1 3.1Å; N383-D385 PolarHBondContact O-N 3.17Å
384	S	64.7	Low	79.2	Confident	25 Å²	25	65.7 Å²	65.7	18%	0.175	33%	0.334	C	S	.	.			trans	-79.8	110.8	171.8	61.4	0	0	0	0	108.9	R374 F382 N386	R374-S384 PolarHBondContact NH2-O 3.09Å; F382-S384 PolarHBondContact O-N 2.84Å; S384-N386 PolarHBondContact O-N 3.43Å
385	D	64.2	Low	78.7	Confident	119 Å²	119	64.5 Å²	64.5	64%	0.636	34%	0.338	S	S	*	.			trans	-82.6	67.6	174.2	-164.8	6.4	0	0	0	111.1	N383 A387	N383-D385 PolarHBondContact O-N 3.17Å; D385-A387 PolarHBondContact O-N 3.06Å
386	N	68.1	Low	78.5	Confident	21 Å²	21	61.9 Å²	61.9	11%	0.112	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-86	7.6	177.6	-61.9	-7.4	0	0	0	112.3	S384 T388 L389 C439	S384-N386 PolarHBondContact O-N 3.43Å; N386-T388 PolarHBondContact O-N 2.68Å; N386-L389 HydrophobicContact CB-CD1 3.96Å; N386-L389 PolarHBondContact O-N 3.34Å; N386-C439 WeakPolarHBondContact CB-O 3.22Å; N386-C439 PolarHBondContact ND2-O 3.18Å
387	A	67.7	Low	78.3	Confident	32 Å²	32	60 Å²	60	26%	0.264	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-62.8	-27.9	178.4	0	0	0	0	0	111.3	V366 D385	V366-A387 HydrophobicContact CG1-CB 4.44Å; D385-A387 PolarHBondContact O-N 3.06Å
388	T	80.3	Confident	77.9	Confident	57 Å²	57	59.9 Å²	59.9	35%	0.35	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-76.2	-18.7	-178.9	60.3	0	0	0	0	113.7	Q111 N386 A390 S391	Q111-T388 PolarHBondContact OE1-OG1 3.39Å; N386-T388 PolarHBondContact O-N 2.68Å; T388-A390 VanDerWaalsContact C-N 3.25Å; T388-A390 PolarHBondContact O-N 2.85Å; T388-S391 WeakPolarHBondContact O-CB 3.3Å; T388-S391 PolarHBondContact O-N 3.48Å; T388-S391 PolarHBondContact O-OG 3.28Å
389	L	82.6	Confident	77	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.005	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-53.4	-45	179.2	-78	172.6	0	0	0	111.3	Q111 A113 N386 S391 V392 P420 M437	Q111-L389 HydrophobicContact CB-CD2 4.29Å; A113-L389 HydrophobicContact CB-CD1 3.96Å; A113-L389 HydrophobicContact CB-CD2 3.58Å; A113-L389 HydrophobicContact CB-CG 4.45Å; N386-L389 HydrophobicContact CB-CD1 3.96Å; N386-L389 PolarHBondContact O-N 3.34Å; L389-S391 PolarHBondContact O-N 3.39Å; L389-S391 VanDerWaalsContact O-N 3.13Å; L389-V392 VanDerWaalsContact O-CB 3.28Å; L389-V392 WeakPolarHBondContact O-CB 3.42Å; L389-V392 PolarHBondContact O-N 3.17Å; L389-P420 HydrophobicContact CD1-CB 3.84Å; L389-M437 HydrophobicContact CB-CE 4.15Å; L389-M437 WeakPolarHBondContact O-CE 3.47Å
390	A	75.5	Confident	76.1	Confident	27 Å²	27	61.2 Å²	61.2	22%	0.223	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-58.6	-28.5	179.8	0	0	0	0	0	113.5	V366 T388 V392 M437	V366-A390 HydrophobicContact CG2-CB 4.15Å; T388-A390 VanDerWaalsContact C-N 3.25Å; T388-A390 PolarHBondContact O-N 2.85Å; A390-V392 VanDerWaalsContact C-N 3.34Å; A390-M437 VanDerWaalsContact CA-CE 3.46Å
391	S	83.7	Confident	76.1	Confident	93 Å²	93	55.3 Å²	55.3	65%	0.65	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-83.2	-10	-178.8	74.6	0	0	0	0	114	T388 L389 I393	T388-S391 WeakPolarHBondContact O-CB 3.3Å; T388-S391 PolarHBondContact O-N 3.48Å; T388-S391 PolarHBondContact O-OG 3.28Å; L389-S391 PolarHBondContact O-N 3.39Å; L389-S391 VanDerWaalsContact O-N 3.13Å; S391-I393 PolarHBondContact O-N 2.98Å
392	V	84.8	Confident	76.2	Confident	12 Å²	12	59.6 Å²	59.6	7%	0.073	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-70.3	-24	-178.7	172.4	0	0	0	0	112	P104 K107 L389 A390 D394	P104-V392 VanDerWaalsContact CA-CG1 3.48Å; P104-V392 HydrophobicContact CB-CG1 3.91Å; P104-V392 VanDerWaalsContact O-CG1 3.3Å; P104-V392 WeakPolarHBondContact O-CG1 3.41Å; K107-V392 HydrophobicContact CB-CG1 3.48Å; K107-V392 VanDerWaalsContact CB-CG1 3.48Å; K107-V392 HydrophobicContact CB-CG2 4.21Å; K107-V392 HydrophobicContact CD-CG1 3.92Å; K107-V392 HydrophobicContact CG-CG1 4.35Å; L389-V392 VanDerWaalsContact O-CB 3.28Å; L389-V392 WeakPolarHBondContact O-CB 3.42Å; L389-V392 PolarHBondContact O-N 3.17Å; A390-V392 VanDerWaalsContact C-N 3.34Å; V392-D394 PolarHBondContact O-N 2.95Å
393	I	83.9	Confident	76.6	Confident	30 Å²	30	62.6 Å²	62.6	15%	0.154	36%	0.357	C	S	.	.			trans	-85.7	112.1	-178.5	-59.9	168.6	0	0	0	109.4	L120 F124 S391 A395 W423 M437	L120-I393 HydrophobicContact CD2-CD1 4.22Å; L120-I393 HydrophobicContact CD2-CG2 4.44Å; F124-I393 HydrophobicContact CE2-CG2 3.95Å; F124-I393 HydrophobicContact CZ-CG2 3.7Å; S391-I393 PolarHBondContact O-N 2.98Å; I393-A395 PolarHBondContact O-N 2.83Å; I393-W423 HydrophobicContact CD1-CH2 4.28Å; I393-W423 HydrophobicContact CD1-CZ2 3.55Å; I393-M437 HydrophobicContact CD1-CE 3.7Å; I393-M437 HydrophobicContact CD1-SD 4.04Å; I393-M437 HydrophobicContact CG1-CE 4.3Å
394	D	81.5	Confident	77.8	Confident	77 Å²	77	57.2 Å²	57.2	41%	0.412	33%	0.332	S	S	.	.			trans	-78.5	107.6	167.8	-176.2	1.3	0	0	0	110	Y100 V392 S396	Y100-D394 HydrophobicContact CD1-CB 4.44Å; V392-D394 PolarHBondContact O-N 2.95Å; D394-S396 VanDerWaalsContact CG-OG 3.25Å; D394-S396 WeakPolarHBondContact OD1-CB 3.28Å; D394-S396 PolarHBondContact OD1-N 3.32Å; D394-S396 PolarHBondContact OD1-OG 2.97Å; D394-S396 PolarHBondContact OD2-OG 3.42Å
395	A	77.8	Confident	79.2	Confident	40 Å²	40	57.7 Å²	57.7	33%	0.331	34%	0.335	S	S	.	.			trans	-98.2	13.2	177	0	0	0	0	0	113.1	I393 I397 E398	I393-A395 PolarHBondContact O-N 2.83Å; A395-I397 PolarHBondContact O-N 3.19Å; A395-I397 VanDerWaalsContact O-N 3.09Å; A395-E398 PolarHBondContact O-N 2.72Å
396	S	80.9	Confident	80.7	Confident	78 Å²	78	52.2 Å²	52.2	55%	0.545	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-24.7	-179.8	59.8	0	0	0	0	113.6	D394 E398	D394-S396 VanDerWaalsContact CG-OG 3.25Å; D394-S396 WeakPolarHBondContact OD1-CB 3.28Å; D394-S396 PolarHBondContact OD1-N 3.32Å; D394-S396 PolarHBondContact OD1-OG 2.97Å; D394-S396 PolarHBondContact OD2-OG 3.42Å; S396-E398 PolarHBondContact O-N 3.25Å
397	I	80.9	Confident	82	Confident	14 Å²	14	51.2 Å²	51.2	7%	0.072	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-15.1	174.7	-166.5	163.5	0	0	0	113.5	Y100 F124 N128 L129 R132 A395	Y100-I397 HydrophobicContact CD1-CB 4.35Å; Y100-I397 HydrophobicContact CD1-CG2 4.13Å; Y100-I397 HydrophobicContact CD2-CD1 3.86Å; Y100-I397 HydrophobicContact CE1-CB 3.87Å; Y100-I397 HydrophobicContact CE1-CG2 4.13Å; Y100-I397 HydrophobicContact CE2-CB 4.21Å; Y100-I397 HydrophobicContact CE2-CD1 3.52Å; Y100-I397 HydrophobicContact CE2-CG1 4.36Å; Y100-I397 HydrophobicContact CG-CG2 4.42Å; F124-I397 HydrophobicContact CB-CG2 4.47Å; F124-I397 HydrophobicContact CD1-CG2 3.49Å; F124-I397 VanDerWaalsContact CD1-CG2 3.49Å; F124-I397 HydrophobicContact CE1-CG2 3.92Å; F124-I397 HydrophobicContact CG-CG2 4.16Å; N128-I397 PolarHBondContact ND2-O 2.86Å; L129-I397 HydrophobicContact CD1-CD1 4.06Å; L129-I397 HydrophobicContact CD2-CD1 3.66Å; L129-I397 HydrophobicContact CG-CD1 3.77Å; R132-I397 PolarHBondContact NH1-O 2.87Å; R132-I397 PolarHBondContact NH2-O 3.1Å; A395-I397 PolarHBondContact O-N 3.19Å; A395-I397 VanDerWaalsContact O-N 3.09Å
398	E	81	Confident	83.4	Confident	19 Å²	19	49.8 Å²	49.8	9%	0.089	29%	0.288	C	S	.	.	S	Bend	trans	-102.9	99.9	-178.4	-63.8	-176.5	121.8	0	0	111.4	R123 F124 A395 S396 N400 R401	R123-E398 WeakPolarHBondContact CG-OE1 3.23Å; R123-E398 IonicContact CZ-OE2 2.77Å; R123-E398 VanDerWaalsContact NE-CD 3.32Å; R123-E398 IonicContact NE-OE1 3.75Å; R123-E398 PolarHBondContact NE-OE1 3.42Å; R123-E398 VanDerWaalsContact NE-OE1 3.15Å; R123-E398 IonicContact NE-OE2 3.06Å; R123-E398 PolarHBondContact NE-OE2 3.24Å; R123-E398 IonicContact NH2-OE2 3.2Å; R123-E398 PolarHBondContact NH2-OE2 3.31Å; F124-E398 HydrophobicContact CD1-CG 4.12Å; F124-E398 HydrophobicContact CE1-CG 3.95Å; A395-E398 PolarHBondContact O-N 2.72Å; S396-E398 PolarHBondContact O-N 3.25Å; E398-N400 PolarHBondContact O-N 3.18Å; E398-R401 HydrophobicContact CB-CB 3.88Å; E398-R401 VanDerWaalsContact CD-CD 3.42Å; E398-R401 VanDerWaalsContact OE1-CD 3.3Å; E398-R401 WeakPolarHBondContact OE1-CD 3.28Å; E398-R401 IonicContact OE1-CZ 2.75Å; E398-R401 IonicContact OE1-NE 2.71Å; E398-R401 IonicContact OE1-NH1 3.04Å; E398-R401 PolarHBondContact OE1-NH1 3.25Å; E398-R401 WeakPolarHBondContact OE2-CD 3.22Å
399	D	72.3	Confident	84.2	Confident	107 Å²	107	47 Å²	47	57%	0.572	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	118.8	-178.8	-58.9	-49.4	0	0	0	111.7	R132 K202 R401	R132-D399 IonicContact CZ-OD2 3.38Å; R132-D399 IonicContact NH2-OD2 3.05Å; R132-D399 PolarHBondContact NH2-OD2 2.77Å; K202-D399 PolarHBondContact NZ-O 3.44Å; D399-R401 PolarHBondContact O-N 3.14Å
400	N	70.2	Confident	84.9	Confident	147 Å²	147	50.1 Å²	50.1	79%	0.786	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	45.7	175.4	-58.9	-42.6	0	0	0	112.2	K202 E398 E402	K202-N400 PolarHBondContact NZ-O 3.37Å; E398-N400 PolarHBondContact O-N 3.18Å; N400-E402 PolarHBondContact O-N 2.71Å
401	R	81.8	Confident	85.9	Confident	34 Å²	34	49 Å²	49	13%	0.128	28%	0.276	C	S	.	.			trans	-78.3	114.4	171.6	-175.6	160.6	-169.6	162.2	2.7	109	T198 I199 V330 W331 E398 D399 I403	T198-R401 PolarHBondContact O-NH1 3.46Å; T198-R401 PolarHBondContact O-NH2 2.61Å; I199-R401 PolarHBondContact O-NH2 3.24Å; V330-R401 VanDerWaalsContact CG1-CZ 3.47Å; W331-R401 PolarHBondContact O-NH2 2.89Å; E398-R401 HydrophobicContact CB-CB 3.88Å; E398-R401 VanDerWaalsContact CD-CD 3.42Å; E398-R401 VanDerWaalsContact OE1-CD 3.3Å; E398-R401 WeakPolarHBondContact OE1-CD 3.28Å; E398-R401 IonicContact OE1-CZ 2.75Å; E398-R401 IonicContact OE1-NE 2.71Å; E398-R401 IonicContact OE1-NH1 3.04Å; E398-R401 PolarHBondContact OE1-NH1 3.25Å; E398-R401 WeakPolarHBondContact OE2-CD 3.22Å; D399-R401 PolarHBondContact O-N 3.14Å; R401-I403 PolarHBondContact O-N 3Å
402	E	75.6	Confident	86.4	Confident	146 Å²	146	51 Å²	51	68%	0.682	28%	0.275	S	S	*	.			trans	-64.3	129.2	171.3	-70.2	-175.9	167.9	0	0	109.7	N400	N400-E402 PolarHBondContact O-N 2.71Å
403	I	85.6	Confident	86.8	Confident	106 Å²	106	51.8 Å²	51.8	54%	0.544	28%	0.283	S	S	.	.			trans	-108.7	139.7	172.4	53.6	172.1	0	0	0	108.5	P328 R401	P328-I403 HydrophobicContact CB-CB 4.28Å; P328-I403 HydrophobicContact CB-CD1 4.1Å; P328-I403 HydrophobicContact CG-CD1 4.43Å; R401-I403 PolarHBondContact O-N 3Å
404	G	91.7	Very high	87.4	Confident	17 Å²	17	50.4 Å²	50.4	18%	0.175	28%	0.276	C	S	.	.			trans	-76.8	-176.9	174.5	0	0	0	0	0	112.7	A329	A329-G404 WeakPolarHBondContact O-CA 3.3Å; A329-G404 PolarHBondContact O-N 2.82Å
405	P	94.2	Very high	88.1	Confident	34 Å²	34	47 Å²	47	22%	0.221	26%	0.257	C	S	.	.			trans	-68.4	163.4	177.4	30.8	-35	0	0	0	111.7	A329 F337 P362 F363 L407	A329-P405 PolarHBondContact N-O 3.34Å; F337-P405 HydrophobicContact CB-CG 4.29Å; F337-P405 HydrophobicContact CD1-CG 4.39Å; F337-P405 HydrophobicContact CD2-CG 4.34Å; F337-P405 HydrophobicContact CG-CG 4.07Å; P362-P405 HydrophobicContact CB-CB 3.68Å; P362-P405 HydrophobicContact CB-CG 3.47Å; P362-P405 VanDerWaalsContact CB-CG 3.47Å; F363-P405 WeakPolarHBondContact O-CB 3.48Å; P405-L407 HydrophobicContact CG-CD2 4.11Å
406	C	95.1	Very high	88.9	Confident	5 Å²	5	47.3 Å²	47.3	3%	0.034	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	151.3	160.1	-63	0	0	0	0	109	P362 F363 D365 V366 A369	P362-C406 CarbonylContact C-O 3.52Å; P362-C406 WeakPolarHBondContact CA-O 3.27Å; F363-C406 HydrophobicContact CB-CB 4.48Å; F363-C406 PolarHBondContact N-O 2.91Å; F363-C406 PolarHBondContact O-N 3.28Å; D365-C406 VanDerWaalsContact C-SG 3.51Å; V366-C406 HydrophobicContact CG2-CB 4.42Å; V366-C406 PolarHBondContact N-SG 3.44Å; A369-C406 HydrophobicContact CB-CB 4.28Å
407	L	95.9	Very high	89.6	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	136.7	-172.3	-62.9	175.9	0	0	0	112	W325 C326 A329 W331 F337 L360 K361 P405 I409 F426	W325-L407 CarbonylContact C-O 3.59Å; W325-L407 WeakPolarHBondContact CA-O 3.3Å; W325-L407 WeakPolarHBondContact CB-O 3.46Å; C326-L407 PolarHBondContact N-O 3.23Å; C326-L407 PolarHBondContact O-N 3.05Å; A329-L407 HydrophobicContact CB-CD1 3.84Å; A329-L407 HydrophobicContact CB-CG 4.3Å; W331-L407 HydrophobicContact CH2-CD1 4.48Å; W331-L407 HydrophobicContact CZ2-CD1 4.29Å; F337-L407 HydrophobicContact CD2-CD2 4.5Å; F337-L407 HydrophobicContact CE2-CD2 3.86Å; F337-L407 HydrophobicContact CZ-CD2 4.14Å; L360-L407 HydrophobicContact CD1-CD1 4.48Å; K361-L407 WeakPolarHBondContact O-CA 3.42Å; P405-L407 HydrophobicContact CG-CD2 4.11Å; L407-I409 HydrophobicContact CB-CG1 4.15Å; L407-F426 HydrophobicContact CD1-CE1 4.49Å; L407-F426 HydrophobicContact CD1-CE2 3.79Å; L407-F426 HydrophobicContact CD1-CZ 3.62Å
408	S	96.4	Very high	90.3	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.007	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	130.5	154.6	-56.3	0	0	0	0	108.3	K361 F363 A369 F373	K361-S408 PolarHBondContact N-O 2.84Å; K361-S408 PolarHBondContact O-N 3.32Å; F363-S408 WeakPolarHBondContact CD2-OG 3.48Å; F363-S408 WeakPolarHBondContact CE2-OG 2.92Å; A369-S408 WeakPolarHBondContact CA-OG 3.45Å; A369-S408 PolarHBondContact O-OG 2.86Å; F373-S408 VanDerWaalsContact CE2-CB 3.43Å
409	I	97.2	Very high	90.9	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	122.9	-174.2	-51.5	172.7	0	0	0	108.8	K323 C324 C326 F347 C358 I359 L360 F373 L407 L411 F426	K323-I409 WeakPolarHBondContact CA-O 3.29Å; C324-I409 PolarHBondContact N-O 3.49Å; C324-I409 PolarHBondContact O-N 3.45Å; C326-I409 VanDerWaalsContact SG-CD1 3.51Å; F347-I409 HydrophobicContact CD2-CD1 4.07Å; F347-I409 HydrophobicContact CD2-CG2 3.97Å; F347-I409 HydrophobicContact CE2-CD1 3.85Å; F347-I409 HydrophobicContact CE2-CG2 4.3Å; C358-I409 HydrophobicContact CB-CG2 3.85Å; I359-I409 WeakPolarHBondContact O-CA 3.26Å; L360-I409 HydrophobicContact CD2-CB 4.36Å; L360-I409 HydrophobicContact CD2-CD1 4.43Å; L360-I409 HydrophobicContact CD2-CG1 3.83Å; L360-I409 HydrophobicContact CD2-CG2 4.03Å; F373-I409 WeakPolarHBondContact CE2-O 3.48Å; L407-I409 HydrophobicContact CB-CG1 4.15Å; I409-L411 HydrophobicContact CG2-CD2 3.86Å; I409-F426 HydrophobicContact CD1-CE1 3.82Å; I409-F426 HydrophobicContact CD1-CZ 3.7Å
410	E	96.8	Very high	91.9	Very high	65 Å²	65	38.2 Å²	38.2	30%	0.304	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	119.6	172	-174.1	167.6	-170.4	0	0	109.3	K323 C358 I359 F373	K323-E410 HydrophobicContact CG-CG 4.37Å; C358-E410 CarbonylContact C-O 3.5Å; C358-E410 WeakPolarHBondContact CA-O 3.33Å; C358-E410 WeakPolarHBondContact CB-O 3.16Å; I359-E410 PolarHBondContact N-O 2.8Å; I359-E410 PolarHBondContact O-N 2.76Å; F373-E410 HydrophobicContact CE1-CB 4.37Å; F373-E410 HydrophobicContact CZ-CB 3.96Å
411	L	96.5	Very high	93	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.016	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	144.1	-179.1	-53.3	-177	0	0	0	110.7	R322 F347 C358 I409 A413 M415 I418	R322-L411 WeakPolarHBondContact CD-O 3.47Å; R322-L411 HydrophobicContact CG-CB 4.4Å; R322-L411 WeakPolarHBondContact CG-O 3.17Å; R322-L411 WeakPolarHBondContact O-CG 3.48Å; R322-L411 PolarHBondContact O-N 2.65Å; F347-L411 HydrophobicContact CB-CD2 3.86Å; F347-L411 HydrophobicContact CD1-CD1 4.24Å; F347-L411 HydrophobicContact CD1-CD2 3.48Å; F347-L411 VanDerWaalsContact CD1-CD2 3.48Å; F347-L411 HydrophobicContact CD2-CD2 4.22Å; F347-L411 HydrophobicContact CE1-CD1 4.13Å; F347-L411 HydrophobicContact CE1-CD2 3.97Å; F347-L411 HydrophobicContact CG-CD2 3.61Å; C358-L411 HydrophobicContact CB-CD2 3.75Å; I409-L411 HydrophobicContact CG2-CD2 3.86Å; L411-A413 VanDerWaalsContact C-N 3.25Å; L411-A413 VanDerWaalsContact CB-O 3.29Å; L411-A413 WeakPolarHBondContact CB-O 3.39Å; L411-A413 PolarHBondContact O-N 3.29Å; L411-M415 HydrophobicContact CD1-CB 3.89Å; L411-M415 HydrophobicContact CD1-CG 3.61Å; L411-I418 HydrophobicContact CD1-CD1 3.56Å
412	E	95	Very high	93.6	Very high	137 Å²	137	30.6 Å²	30.6	64%	0.64	16%	0.159	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-60.2	-38.7	173.7	-177.9	175	-150.3	0	0	111.4	V356 N357	V356-E412 HydrophobicContact CG1-CB 4.36Å; N357-E412 HydrophobicContact CB-CB 4.19Å; N357-E412 VanDerWaalsContact CB-OE2 3.3Å; N357-E412 WeakPolarHBondContact CB-OE2 3.45Å; N357-E412 PolarHBondContact ND2-OE2 3.28Å; N357-E412 WeakPolarHBondContact O-CB 3.5Å; N357-E412 PolarHBondContact O-N 2.95Å
413	A	93.5	Very high	94.6	Very high	27 Å²	27	24 Å²	24	22%	0.223	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	141.2	175	0	0	0	0	0	111.1	V356 L411 M415	V356-A413 HydrophobicContact CG1-CB 4.24Å; L411-A413 VanDerWaalsContact C-N 3.25Å; L411-A413 VanDerWaalsContact CB-O 3.29Å; L411-A413 WeakPolarHBondContact CB-O 3.39Å; L411-A413 PolarHBondContact O-N 3.29Å; A413-M415 PolarHBondContact O-N 3.38Å
414	P	95.7	Very high	95.1	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.013	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	134	171.4	-23.7	31.1	0	0	0	112.4	F320 M321 R322 L444 Y453	F320-P414 HydrophobicContact CB-CB 4.17Å; M321-P414 WeakPolarHBondContact O-CA 3.33Å; R322-P414 HydrophobicContact CB-CG 4.3Å; P414-L444 HydrophobicContact CB-CD1 4.02Å; P414-L444 HydrophobicContact CB-CD2 4.42Å; P414-L444 HydrophobicContact CB-CG 4.46Å; P414-L444 HydrophobicContact CG-CD1 4Å; P414-L444 HydrophobicContact CG-CD2 4.08Å; P414-Y453 HydrophobicContact CB-CE1 3.79Å; P414-Y453 VanDerWaalsContact CD-OH 3.23Å; P414-Y453 WeakPolarHBondContact CD-OH 3.4Å; P414-Y453 HydrophobicContact CG-CE1 4.08Å; P414-Y453 HydrophobicContact CG-CE2 4.16Å; P414-Y453 WeakPolarHBondContact CG-OH 3.19Å
415	M	95.8	Very high	95.4	Very high	4 Å²	4	18.1 Å²	18.1	2%	0.02	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	145.3	176.4	-70.3	-64.7	-81.9	0	0	110.8	F320 M321 W353 V356 L411 A413 C417 I418 Y461	F320-M415 WeakPolarHBondContact CA-O 3.03Å; M321-M415 PolarHBondContact N-O 3.4Å; M321-M415 PolarHBondContact O-N 3.14Å; W353-M415 HydrophobicContact CE3-CE 3.49Å; W353-M415 VanDerWaalsContact CE3-CE 3.49Å; W353-M415 HydrophobicContact CZ3-CE 3.94Å; V356-M415 HydrophobicContact CG2-CE 3.98Å; V356-M415 HydrophobicContact CG2-CG 4.13Å; V356-M415 HydrophobicContact CG2-SD 3.57Å; V356-M415 VanDerWaalsContact CG2-SD 3.57Å; L411-M415 HydrophobicContact CD1-CB 3.89Å; L411-M415 HydrophobicContact CD1-CG 3.61Å; A413-M415 PolarHBondContact O-N 3.38Å; M415-C417 PolarHBondContact O-N 3.06Å; M415-I418 HydrophobicContact CB-CD1 4.12Å; M415-I418 HydrophobicContact CB-CG1 4.11Å; M415-Y461 HydrophobicContact CE-CD1 3.92Å; M415-Y461 HydrophobicContact CE-CE1 4.13Å; M415-Y461 HydrophobicContact CE-CG 4.31Å; M415-Y461 HydrophobicContact SD-CD1 3.99Å; M415-Y461 HydrophobicContact SD-CE1 3.56Å; M415-Y461 VanDerWaalsContact SD-CE1 3.56Å; M415-Y461 HydrophobicContact SD-CE2 4.35Å
416	R	95.2	Very high	95.6	Very high	48 Å²	48	16.5 Å²	16.5	18%	0.181	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	124.9	-178.1	-172.2	172.1	-174	-76.6	-2.1	111.3	G284 L319 F320 W349 W353 W456	G284-R416 PolarHBondContact O-NH2 2.92Å; L319-R416 CarbonylContact O-C 3.53Å; L319-R416 VanDerWaalsContact O-CA 3.3Å; L319-R416 WeakPolarHBondContact O-CA 3.49Å; F320-R416 HydrophobicContact CD1-CB 4Å; F320-R416 HydrophobicContact CD1-CG 4.37Å; F320-R416 HydrophobicContact CE1-CB 3.95Å; F320-R416 HydrophobicContact CE1-CG 4.07Å; W349-R416 WeakPolarHBondContact CZ2-O 3.34Å; W353-R416 HydrophobicContact CH2-CB 4.38Å; R416-W456 HydrophobicContact CB-CD2 3.92Å; R416-W456 HydrophobicContact CB-CE3 4.16Å; R416-W456 HydrophobicContact CB-CH2 4Å; R416-W456 HydrophobicContact CB-CZ2 3.75Å; R416-W456 HydrophobicContact CB-CZ3 4.2Å; R416-W456 HydrophobicContact CG-CZ3 4.5Å
417	C	95.1	Very high	95.6	Very high	6 Å²	6	16.2 Å²	16.2	4%	0.041	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	61	43.3	163	-58.2	0	0	0	0	116.5	L283 G284 L319 M321 W349 M415 A419	L283-C417 HydrophobicContact CB-CB 4.06Å; G284-C417 WeakPolarHBondContact CA-SG 3.47Å; L319-C417 PolarHBondContact O-N 3.46Å; L319-C417 PolarHBondContact O-SG 3.34Å; L319-C417 VanDerWaalsContact O-SG 3.35Å; M321-C417 VanDerWaalsContact SD-CA 3.51Å; M321-C417 PolarHBondContact SD-N 3.25Å; W349-C417 WeakPolarHBondContact CH2-O 3.39Å; W349-C417 WeakPolarHBondContact CZ3-O 3.46Å; M415-C417 PolarHBondContact O-N 3.06Å; C417-A419 PolarHBondContact O-N 2.94Å
418	I	95.4	Very high	95.6	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.098	C	C	.	.			trans	-58.4	103.4	172.2	-54.8	-179.1	0	0	0	109.6	M321 C324 F347 L411 M415 I438 S441	M321-I418 HydrophobicContact CB-CB 4.26Å; M321-I418 HydrophobicContact CB-CD1 3.85Å; M321-I418 HydrophobicContact CB-CG1 4.07Å; M321-I418 HydrophobicContact CG-CB 4.4Å; M321-I418 HydrophobicContact SD-CB 4.31Å; M321-I418 HydrophobicContact SD-CG1 4.47Å; M321-I418 PolarHBondContact SD-N 3.13Å; C324-I418 HydrophobicContact CB-CG2 4.1Å; F347-I418 HydrophobicContact CE1-CD1 4.45Å; L411-I418 HydrophobicContact CD1-CD1 3.56Å; M415-I418 HydrophobicContact CB-CD1 4.12Å; M415-I418 HydrophobicContact CB-CG1 4.11Å; I418-I438 HydrophobicContact CG2-CD1 3.8Å; I418-I438 HydrophobicContact CG2-CG1 4.5Å; I418-I438 HydrophobicContact CG2-CG2 4.04Å; I418-S441 PolarHBondContact O-OG 3.22Å
419	A	93.2	Very high	95.4	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.008	13%	0.126	C	C	.	.			trans	-94.9	135.4	-170.2	0	0	0	0	0	112.9	L283 W349 C417 Q422	L283-A419 HydrophobicContact CB-CB 4.43Å; L283-A419 HydrophobicContact CD1-CB 4.35Å; L283-A419 HydrophobicContact CG-CB 4.36Å; W349-A419 HydrophobicContact CZ3-CB 4.48Å; C417-A419 PolarHBondContact O-N 2.94Å; A419-Q422 HydrophobicContact CB-CG 4.14Å; A419-Q422 WeakPolarHBondContact O-CB 3.48Å; A419-Q422 PolarHBondContact O-N 2.83Å
420	P	93.8	Very high	95.4	Very high	20 Å²	20	28.3 Å²	28.3	13%	0.13	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	146.7	168	-22.6	32.7	0	0	0	112.3	A113 T114 L389 Q422 I438	A113-P420 HydrophobicContact CB-CB 4.4Å; T114-P420 PolarHBondContact N-O 3.22Å; L389-P420 HydrophobicContact CD1-CB 3.84Å; P420-Q422 PolarHBondContact O-N 2.91Å; P420-I438 CarbonylContact C-O 3.58Å; P420-I438 WeakPolarHBondContact CA-O 3.37Å
421	G	93.5	Very high	95.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.8	-21.3	-176.5	0	0	0	0	0	114.2	T114 P115 I438	T114-G421 CarbonylContact O-C 3.56Å; P115-G421 WeakPolarHBondContact CA-O 3.46Å; G421-I438 PolarHBondContact N-O 3.36Å
422	Q	94.8	Very high	95.4	Very high	21 Å²	21	26.6 Å²	26.6	10%	0.098	14%	0.138	C	C	.	.			trans	-67.9	163.2	169.7	-72.6	-66.2	-47.9	0	0	110.6	T114 P115 W349 A419 P420 I438	T114-Q422 WeakPolarHBondContact O-CG 3.4Å; T114-Q422 PolarHBondContact O-N 2.64Å; T114-Q422 PolarHBondContact O-NE2 2.82Å; P115-Q422 PolarHBondContact O-NE2 2.93Å; W349-Q422 HydrophobicContact CE3-CB 4.22Å; W349-Q422 HydrophobicContact CE3-CG 4.24Å; W349-Q422 HydrophobicContact CZ3-CG 4.16Å; A419-Q422 HydrophobicContact CB-CG 4.14Å; A419-Q422 WeakPolarHBondContact O-CB 3.48Å; A419-Q422 PolarHBondContact O-N 2.83Å; P420-Q422 PolarHBondContact O-N 2.91Å; Q422-I438 HydrophobicContact CB-CD1 4.15Å; Q422-I438 WeakPolarHBondContact O-CB 3.04Å; Q422-I438 PolarHBondContact O-N 3.31Å
423	W	96	Very high	95.4	Very high	6 Å²	6	21.5 Å²	21.5	2%	0.023	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	148.1	172.9	-77.2	71.7	0	0	0	110.6	I119 L120 F194 T198 V330 W349 I393 A436 M437	I119-W423 HydrophobicContact CB-CD2 4.46Å; I119-W423 HydrophobicContact CB-CG 4.24Å; I119-W423 HydrophobicContact CD1-CB 4.25Å; I119-W423 HydrophobicContact CG1-CB 4.02Å; I119-W423 HydrophobicContact CG1-CG 3.99Å; I119-W423 HydrophobicContact CG2-CD2 3.71Å; I119-W423 HydrophobicContact CG2-CE3 4.09Å; I119-W423 HydrophobicContact CG2-CG 3.99Å; I119-W423 HydrophobicContact CG2-CZ2 4.25Å; L120-W423 HydrophobicContact CD2-CZ2 3.92Å; F194-W423 WeakPolarHBondContact CZ-O 3.37Å; T198-W423 HydrophobicContact CG2-CD2 4.48Å; T198-W423 HydrophobicContact CG2-CE3 3.6Å; T198-W423 HydrophobicContact CG2-CH2 3.77Å; T198-W423 HydrophobicContact CG2-CZ3 3.21Å; V330-W423 HydrophobicContact CG2-CH2 4.24Å; V330-W423 HydrophobicContact CG2-CZ3 4.25Å; W349-W423 WeakPolarHBondContact CA-O 3.41Å; I393-W423 HydrophobicContact CD1-CH2 4.28Å; I393-W423 HydrophobicContact CD1-CZ2 3.55Å; W423-A436 WeakPolarHBondContact CA-O 3.18Å; W423-M437 HydrophobicContact CD2-CB 4.17Å; W423-M437 HydrophobicContact CH2-CB 4.46Å; W423-M437 HydrophobicContact CZ2-CB 4.1Å
424	C	97.3	Very high	95.5	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	147.9	162.4	64.3	0	0	0	0	110.4	C326 F347 Q348 W349 F426 G435 A436 I438	C326-C424 VanDerWaalsContact SG-SG 3.68Å; F347-C424 HydrophobicContact CD2-CB 3.66Å; F347-C424 HydrophobicContact CE2-CB 3.12Å; F347-C424 HydrophobicContact CZ-CB 3.72Å; Q348-C424 CarbonylContact O-C 3.39Å; Q348-C424 WeakPolarHBondContact O-CA 3.37Å; W349-C424 HydrophobicContact CB-CB 4.32Å; C424-F426 WeakPolarHBondContact SG-CZ 3.44Å; C424-G435 CarbonylContact O-C 3.52Å; C424-G435 WeakPolarHBondContact O-CA 3.45Å; C424-A436 PolarHBondContact N-O 3Å; C424-A436 PolarHBondContact O-N 2.81Å; C424-A436 PolarHBondContact SG-O 2.95Å; C424-I438 HydrophobicContact CB-CD1 4.25Å; C424-I438 HydrophobicContact CB-CG1 4.34Å
425	A	97.6	Very high	95.5	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	144.5	170.4	0	0	0	0	0	109.4	F194 Q348 Y427 G434	F194-A425 HydrophobicContact CD2-CB 3.77Å; F194-A425 HydrophobicContact CE2-CB 4.38Å; Q348-A425 PolarHBondContact N-O 3.25Å; Q348-A425 PolarHBondContact O-N 3.38Å; A425-Y427 HydrophobicContact CB-CE2 3.66Å; A425-G434 WeakPolarHBondContact CA-O 2.92Å
426	F	97.3	Very high	95.5	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	134.5	179.2	-58.4	-68.2	0	0	0	110.6	W331 I345 Q346 F347 L360 L407 I409 C424 L433 G434 A436	W331-F426 HydrophobicContact CH2-CB 4.47Å; W331-F426 AromaticContact CH2-CD2 3.69Å; W331-F426 HydrophobicContact CH2-CD2 3.69Å; W331-F426 HydrophobicContact CH2-CE2 4.17Å; W331-F426 HydrophobicContact CH2-CG 4.17Å; W331-F426 HydrophobicContact CZ3-CB 4.02Å; W331-F426 AromaticContact CZ3-CD2 3.69Å; W331-F426 HydrophobicContact CZ3-CD2 3.69Å; W331-F426 HydrophobicContact CZ3-CG 4.13Å; I345-F426 HydrophobicContact CG2-CB 3.82Å; I345-F426 HydrophobicContact CG2-CD1 3.93Å; I345-F426 HydrophobicContact CG2-CG 4.29Å; Q346-F426 CarbonylContact O-C 3.49Å; Q346-F426 VanDerWaalsContact O-CA 3.32Å; Q346-F426 WeakPolarHBondContact O-CA 3.32Å; F347-F426 HydrophobicContact CD2-CE1 4.1Å; L360-F426 HydrophobicContact CD1-CD1 4.15Å; L360-F426 HydrophobicContact CD1-CE1 4.23Å; L360-F426 HydrophobicContact CD2-CD1 4.09Å; L360-F426 HydrophobicContact CD2-CE1 3.55Å; L360-F426 HydrophobicContact CD2-CZ 4.25Å; L407-F426 HydrophobicContact CD1-CE1 4.49Å; L407-F426 HydrophobicContact CD1-CE2 3.79Å; L407-F426 HydrophobicContact CD1-CZ 3.62Å; I409-F426 HydrophobicContact CD1-CE1 3.82Å; I409-F426 HydrophobicContact CD1-CZ 3.7Å; C424-F426 WeakPolarHBondContact SG-CZ 3.44Å; F426-L433 HydrophobicContact CB-CB 4.36Å; F426-L433 PolarHBondContact O-N 3.23Å; F426-G434 PolarHBondContact N-O 3.47Å; F426-A436 HydrophobicContact CE2-CB 3.99Å; F426-A436 HydrophobicContact CZ-CB 4.41Å
427	Y	96.7	Very high	95.5	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	142.4	-178.5	-59.3	-88	0	0	0	112.1	R184 T193 F194 Q346 Q348 A425 I431 C432	R184-Y427 HydrophobicContact CG-CD1 4.05Å; R184-Y427 HydrophobicContact CG-CE1 3.9Å; T193-Y427 VanDerWaalsContact OG1-CE1 3.28Å; T193-Y427 WeakPolarHBondContact OG1-CE1 3.27Å; T193-Y427 PolarHBondContact OG1-OH 2.75Å; F194-Y427 WeakPolarHBondContact CA-OH 3.38Å; F194-Y427 PolarHBondContact N-OH 3.43Å; F194-Y427 VanDerWaalsContact N-OH 3.11Å; Q346-Y427 PolarHBondContact N-O 2.88Å; Q346-Y427 PolarHBondContact O-N 3.01Å; Q348-Y427 HydrophobicContact CB-CD2 4.4Å; Q348-Y427 HydrophobicContact CB-CE2 3.8Å; Q348-Y427 VanDerWaalsContact OE1-CE2 3.26Å; Q348-Y427 PolarHBondContact OE1-OH 2.92Å; A425-Y427 HydrophobicContact CB-CE2 3.66Å; Y427-I431 VanDerWaalsContact CA-O 3.27Å; Y427-I431 WeakPolarHBondContact CA-O 3.28Å; Y427-C432 HydrophobicContact CD1-CB 3.99Å; Y427-C432 HydrophobicContact CE1-CB 3.73Å
428	D	94.8	Very high	95.6	Very high	68 Å²	68	17.8 Å²	17.8	36%	0.364	9%	0.094	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	97.4	157.9	177.7	5.2	0	0	0	107.1	D430 I431 L433	D428-D430 PolarHBondContact O-N 3.21Å; D428-I431 PolarHBondContact N-O 3.47Å; D428-I431 WeakPolarHBondContact O-CB 3.28Å; D428-I431 PolarHBondContact O-N 3.37Å; D428-L433 HydrophobicContact CB-CD1 4.09Å; D428-L433 HydrophobicContact CB-CD2 4.12Å; D428-L433 HydrophobicContact CB-CG 4.26Å
429	N	93.3	Very high	95.5	Very high	110 Å²	110	17.8 Å²	17.8	59%	0.588	9%	0.094	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.8	-106.7	-172.3	-60.6	-73.5	0	0	0	111.9
430	D	95.5	Very high	95.5	Very high	76 Å²	76	17.8 Å²	17.8	41%	0.406	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-5.2	-178.7	-73.6	-18.3	0	0	0	113.7	L183 R184 R188 D428	L183-D430 CarbonylContact C-O 3.12Å; L183-D430 VanDerWaalsContact CA-O 3.23Å; L183-D430 WeakPolarHBondContact CA-O 3.29Å; R184-D430 WeakPolarHBondContact CG-O 3.28Å; R184-D430 PolarHBondContact N-O 3.35Å; R188-D430 IonicContact CZ-OD1 3.67Å; R188-D430 IonicContact NH1-OD1 3.6Å; R188-D430 PolarHBondContact NH1-OD1 3.25Å; R188-D430 IonicContact NH2-OD1 3.88Å; R188-D430 PolarHBondContact NH2-OD1 3.28Å; R188-D430 IonicContact NH2-OD2 3.19Å; R188-D430 PolarHBondContact NH2-OD2 3.19Å; D428-D430 PolarHBondContact O-N 3.21Å
431	I	96.3	Very high	95.6	Very high	33 Å²	33	17.8 Å²	17.8	17%	0.169	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	121.3	179.5	-54.8	172.8	0	0	0	108.2	R181 L183 Y427 D428 L433	R181-I431 HydrophobicContact CB-CG2 4.33Å; L183-I431 HydrophobicContact CD2-CB 4.28Å; L183-I431 HydrophobicContact CD2-CG1 3.65Å; Y427-I431 VanDerWaalsContact CA-O 3.27Å; Y427-I431 WeakPolarHBondContact CA-O 3.28Å; D428-I431 PolarHBondContact N-O 3.47Å; D428-I431 WeakPolarHBondContact O-CB 3.28Å; D428-I431 PolarHBondContact O-N 3.37Å; I431-L433 HydrophobicContact CG2-CD2 3.99Å; I431-L433 PolarHBondContact O-N 2.8Å
432	C	97.1	Very high	95.5	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	116	165.8	-174	0	0	0	0	108.1	L182 T193 I332 Y427	L182-C432 HydrophobicContact CB-CB 4.18Å; L182-C432 HydrophobicContact CD2-CB 3.86Å; L182-C432 HydrophobicContact CG-CB 4.04Å; L182-C432 PolarHBondContact O-N 3.5Å; T193-C432 HydrophobicContact CG2-CB 4.4Å; I332-C432 HydrophobicContact CD1-CB 4.25Å; I332-C432 WeakPolarHBondContact CD1-O 3.39Å; Y427-C432 HydrophobicContact CD1-CB 3.99Å; Y427-C432 HydrophobicContact CE1-CB 3.73Å
433	L	95.7	Very high	95.6	Very high	29 Å²	29	17 Å²	17	15%	0.152	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	-37.1	-176.9	-60.1	177.7	0	0	0	111.7	W331 I332 I340 I345 F426 D428 I431	W331-L433 HydrophobicContact CE3-CB 4.01Å; W331-L433 HydrophobicContact CZ3-CB 3.89Å; I332-L433 PolarHBondContact N-O 3.38Å; I340-L433 HydrophobicContact CG2-CD1 4.16Å; I345-L433 HydrophobicContact CD1-CD1 3.56Å; F426-L433 HydrophobicContact CB-CB 4.36Å; F426-L433 PolarHBondContact O-N 3.23Å; D428-L433 HydrophobicContact CB-CD1 4.09Å; D428-L433 HydrophobicContact CB-CD2 4.12Å; D428-L433 HydrophobicContact CB-CG 4.26Å; I431-L433 HydrophobicContact CG2-CD2 3.99Å; I431-L433 PolarHBondContact O-N 2.8Å
434	G	95.7	Very high	95.6	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.6	-170.9	-169.8	0	0	0	0	0	112.4	S197 V330 A425 F426	S197-G434 CarbonylContact O-C 3.47Å; S197-G434 WeakPolarHBondContact O-CA 3.44Å; V330-G434 WeakPolarHBondContact O-CA 3.48Å; A425-G434 WeakPolarHBondContact CA-O 2.92Å; F426-G434 PolarHBondContact N-O 3.47Å
435	G	96	Very high	95.6	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	167.5	173.1	0	0	0	0	0	113.1	S197 V330 C424	S197-G435 PolarHBondContact O-N 3.33Å; V330-G435 PolarHBondContact N-O 3.18Å; V330-G435 PolarHBondContact O-N 2.94Å; C424-G435 CarbonylContact O-C 3.52Å; C424-G435 WeakPolarHBondContact O-CA 3.45Å
436	A	95.6	Very high	95.4	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	145.9	176.2	0	0	0	0	0	111.1	C326 A329 W423 C424 F426	C326-A436 HydrophobicContact CB-CB 3.63Å; A329-A436 HydrophobicContact CB-CB 4.41Å; W423-A436 WeakPolarHBondContact CA-O 3.18Å; C424-A436 PolarHBondContact N-O 3Å; C424-A436 PolarHBondContact O-N 2.81Å; C424-A436 PolarHBondContact SG-O 2.95Å; F426-A436 HydrophobicContact CE2-CB 3.99Å; F426-A436 HydrophobicContact CZ-CB 4.41Å
437	M	95.7	Very high	95.3	Very high	9 Å²	9	20.3 Å²	20.3	4%	0.044	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	128.2	173.7	-175.7	167.1	56.5	0	0	110	C326 G327 L389 A390 I393 W423 C439	C326-M437 CarbonylContact C-O 3.59Å; C326-M437 WeakPolarHBondContact CA-O 3.5Å; C326-M437 WeakPolarHBondContact CB-O 3.48Å; G327-M437 PolarHBondContact N-O 2.87Å; L389-M437 HydrophobicContact CB-CE 4.15Å; L389-M437 WeakPolarHBondContact O-CE 3.47Å; A390-M437 VanDerWaalsContact CA-CE 3.46Å; I393-M437 HydrophobicContact CD1-CE 3.7Å; I393-M437 HydrophobicContact CD1-SD 4.04Å; I393-M437 HydrophobicContact CG1-CE 4.3Å; W423-M437 HydrophobicContact CD2-CB 4.17Å; W423-M437 HydrophobicContact CH2-CB 4.46Å; W423-M437 HydrophobicContact CZ2-CB 4.1Å; M437-C439 PolarHBondContact O-N 2.76Å
438	I	95.9	Very high	95.2	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	122	175.5	-62.5	158.2	0	0	0	108.3	F347 W349 I418 P420 G421 Q422 C424	F347-I438 HydrophobicContact CZ-CD1 4.38Å; W349-I438 HydrophobicContact CB-CD1 3.97Å; I418-I438 HydrophobicContact CG2-CD1 3.8Å; I418-I438 HydrophobicContact CG2-CG1 4.5Å; I418-I438 HydrophobicContact CG2-CG2 4.04Å; P420-I438 CarbonylContact C-O 3.58Å; P420-I438 WeakPolarHBondContact CA-O 3.37Å; G421-I438 PolarHBondContact N-O 3.36Å; Q422-I438 HydrophobicContact CB-CD1 4.15Å; Q422-I438 WeakPolarHBondContact O-CB 3.04Å; Q422-I438 PolarHBondContact O-N 3.31Å; C424-I438 HydrophobicContact CB-CD1 4.25Å; C424-I438 HydrophobicContact CB-CG1 4.34Å
439	C	94.7	Very high	95.3	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	-25.7	176.2	-65.7	0	0	0	0	111.2	W325 G327 V366 N386 M437	W325-C439 PolarHBondContact O-N 2.85Å; G327-C439 PolarHBondContact N-SG 2.74Å; V366-C439 HydrophobicContact CG1-CB 3.8Å; N386-C439 WeakPolarHBondContact CB-O 3.22Å; N386-C439 PolarHBondContact ND2-O 3.18Å; M437-C439 PolarHBondContact O-N 2.76Å
440	G	93	Very high	95.3	Very high	1 Å²	1	20 Å²	20	1%	0.01	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.5	171.6	175.8	0	0	0	0	0	113.6	C324 W325	C324-G440 CarbonylContact C-O 3.6Å; C324-G440 VanDerWaalsContact CA-O 3.26Å; C324-G440 WeakPolarHBondContact CA-O 3.23Å; C324-G440 WeakPolarHBondContact CB-O 3.42Å; W325-G440 VanDerWaalsContact CE2-CA 3.46Å; W325-G440 VanDerWaalsContact CZ2-CA 3.5Å; W325-G440 PolarHBondContact N-O 2.75Å; W325-G440 PolarHBondContact O-N 2.78Å
441	S	94.2	Very high	95.3	Very high	20 Å²	20	21.2 Å²	21.2	14%	0.14	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	161.8	-177.4	57.5	0	0	0	0	110.7	K323 I418	K323-S441 CarbonylContact O-C 3.45Å; K323-S441 WeakPolarHBondContact O-CA 3.41Å; I418-S441 PolarHBondContact O-OG 3.22Å
442	I	93.2	Very high	95.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	126	172.6	-49.5	-173.6	0	0	0	107.6	M321 K323 W325 F373 M377 E446 E447	M321-I442 WeakPolarHBondContact CA-O 3.42Å; M321-I442 WeakPolarHBondContact CB-O 3.23Å; K323-I442 HydrophobicContact CB-CB 4.47Å; K323-I442 PolarHBondContact O-N 3.34Å; W325-I442 HydrophobicContact CH2-CG1 4.48Å; W325-I442 HydrophobicContact CZ3-CD1 4.34Å; W325-I442 HydrophobicContact CZ3-CG1 3.73Å; F373-I442 VanDerWaalsContact C-CD1 3.46Å; F373-I442 HydrophobicContact CB-CD1 3.5Å; F373-I442 VanDerWaalsContact CB-CD1 3.5Å; F373-I442 HydrophobicContact CB-CG1 4.46Å; F373-I442 WeakPolarHBondContact O-CD1 3.45Å; M377-I442 HydrophobicContact CE-CG2 4.35Å; M377-I442 HydrophobicContact CG-CD1 3.72Å; M377-I442 HydrophobicContact CG-CG1 4.37Å; M377-I442 HydrophobicContact CG-CG2 3.86Å; M377-I442 HydrophobicContact SD-CD1 4.24Å; M377-I442 HydrophobicContact SD-CG1 4.5Å; I442-E446 HydrophobicContact CG2-CB 3.62Å; I442-E447 HydrophobicContact CG2-CG 3.73Å
443	S	95.7	Very high	95.3	Very high	5 Å²	5	22.9 Å²	22.9	4%	0.035	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	155.9	174.1	65.4	0	0	0	0	112.3	S318 F320 W445 E446 E447	S318-S443 VanDerWaalsContact O-CB 3.3Å; S318-S443 WeakPolarHBondContact O-CB 3.24Å; F320-S443 CarbonylContact O-C 3.52Å; F320-S443 WeakPolarHBondContact O-CA 3.24Å; S443-W445 PolarHBondContact O-N 3.38Å; S443-W445 VanDerWaalsContact O-N 3.17Å; S443-E446 WeakPolarHBondContact CB-OE2 3.32Å; S443-E446 PolarHBondContact N-OE2 2.99Å; S443-E446 WeakPolarHBondContact O-CA 3.43Å; S443-E446 WeakPolarHBondContact O-CB 3.46Å; S443-E446 PolarHBondContact O-N 2.84Å; S443-E446 WeakPolarHBondContact OG-CG 3.44Å; S443-E446 PolarHBondContact OG-N 2.78Å; S443-E446 PolarHBondContact OG-OE2 3.43Å; S443-E447 PolarHBondContact O-N 3.29Å
444	L	96.9	Very high	95.2	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.016	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-32	175.3	-60.6	177.4	0	0	0	111.4	P317 F320 R322 P414 E447 G448 Q449 Y453	P317-L444 HydrophobicContact CB-CB 3.91Å; P317-L444 WeakPolarHBondContact O-CB 3.11Å; P317-L444 PolarHBondContact O-N 2.97Å; F320-L444 HydrophobicContact CB-CD1 3.8Å; F320-L444 HydrophobicContact CB-CG 4.16Å; F320-L444 PolarHBondContact O-N 3.35Å; R322-L444 HydrophobicContact CB-CD2 4.45Å; P414-L444 HydrophobicContact CB-CD1 4.02Å; P414-L444 HydrophobicContact CB-CD2 4.42Å; P414-L444 HydrophobicContact CB-CG 4.46Å; P414-L444 HydrophobicContact CG-CD1 4Å; P414-L444 HydrophobicContact CG-CD2 4.08Å; L444-E447 PolarHBondContact O-N 3.24Å; L444-G448 PolarHBondContact O-N 3.06Å; L444-Q449 HydrophobicContact CB-CB 4.04Å; L444-Q449 WeakPolarHBondContact O-CB 3.2Å; L444-Q449 PolarHBondContact O-N 2.9Å; L444-Y453 HydrophobicContact CD1-CD1 4.16Å; L444-Y453 HydrophobicContact CD1-CD2 3.83Å; L444-Y453 HydrophobicContact CD1-CE2 4.25Å; L444-Y453 HydrophobicContact CD1-CG 3.79Å
445	W	96.1	Very high	95.1	Very high	29 Å²	29	34.7 Å²	34.7	11%	0.11	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-43.7	172.2	176.8	-104.8	0	0	0	112	L266 E267 H316 P317 R379 S443 E447 G448 N450	L266-W445 HydrophobicContact CD2-CG 4.46Å; E267-W445 HydrophobicContact CG-CH2 4.13Å; E267-W445 HydrophobicContact CG-CZ2 4.31Å; H316-W445 AromaticContact CE1-CD2 3.87Å; H316-W445 AromaticContact CE1-CE3 3.76Å; P317-W445 HydrophobicContact CB-CB 4.31Å; P317-W445 HydrophobicContact CG-CB 4.2Å; P317-W445 HydrophobicContact CG-CE3 3.9Å; P317-W445 PolarHBondContact O-N 3.27Å; R379-W445 WeakPolarHBondContact CD-O 3.35Å; R379-W445 PolarHBondContact NH1-O 3.04Å; S443-W445 PolarHBondContact O-N 3.38Å; S443-W445 VanDerWaalsContact O-N 3.17Å; W445-E447 VanDerWaalsContact C-N 3.29Å; W445-E447 PolarHBondContact O-N 3.49Å; W445-G448 WeakPolarHBondContact O-CA 3.47Å; W445-G448 PolarHBondContact O-N 3.44Å; W445-N450 WeakPolarHBondContact CZ3-OD1 3.31Å
446	E	94.8	Very high	95	Very high	10 Å²	10	36.1 Å²	36.1	5%	0.047	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-29.1	177.2	-72.2	163.2	128.2	0	0	112.5	K300 M377 K378 R379 I442 S443 G448	K300-E446 IonicContact NZ-OE1 3.71Å; K300-E446 PolarHBondContact NZ-OE1 2.97Å; M377-E446 CarbonylContact C-O 3.57Å; M377-E446 WeakPolarHBondContact CA-O 3.47Å; M377-E446 HydrophobicContact CE-CB 3.59Å; M377-E446 VanDerWaalsContact CE-CD 3.43Å; M377-E446 HydrophobicContact CE-CG 3.65Å; M377-E446 WeakPolarHBondContact CE-OE1 3.28Å; K378-E446 PolarHBondContact N-O 2.97Å; R379-E446 PolarHBondContact N-O 2.8Å; I442-E446 HydrophobicContact CG2-CB 3.62Å; S443-E446 WeakPolarHBondContact CB-OE2 3.32Å; S443-E446 PolarHBondContact N-OE2 2.99Å; S443-E446 WeakPolarHBondContact O-CA 3.43Å; S443-E446 WeakPolarHBondContact O-CB 3.46Å; S443-E446 PolarHBondContact O-N 2.84Å; S443-E446 WeakPolarHBondContact OG-CG 3.44Å; S443-E446 PolarHBondContact OG-N 2.78Å; S443-E446 PolarHBondContact OG-OE2 3.43Å; E446-G448 PolarHBondContact O-N 2.95Å
447	E	95	Very high	94.7	Very high	33 Å²	33	42 Å²	42	15%	0.154	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-6.6	170.2	-61.3	-172.8	86.9	0	0	113.1	K323 K378 I442 S443 L444 W445	K323-E447 WeakPolarHBondContact CD-OE1 3.28Å; K323-E447 WeakPolarHBondContact CE-OE1 3.3Å; K323-E447 IonicContact NZ-OE1 2.65Å; K323-E447 PolarHBondContact NZ-OE1 3.02Å; K378-E447 WeakPolarHBondContact CD-O 3.38Å; K378-E447 WeakPolarHBondContact CE-O 3.4Å; I442-E447 HydrophobicContact CG2-CG 3.73Å; S443-E447 PolarHBondContact O-N 3.29Å; L444-E447 PolarHBondContact O-N 3.24Å; W445-E447 VanDerWaalsContact C-N 3.29Å; W445-E447 PolarHBondContact O-N 3.49Å
448	G	95	Very high	94.3	Very high	19 Å²	19	45.3 Å²	45.3	20%	0.196	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	102.3	5.9	174.4	0	0	0	0	0	115.8	R379 L444 W445 E446	R379-G448 VanDerWaalsContact NH1-CA 3.34Å; L444-G448 PolarHBondContact O-N 3.06Å; W445-G448 WeakPolarHBondContact O-CA 3.47Å; W445-G448 PolarHBondContact O-N 3.44Å; E446-G448 PolarHBondContact O-N 2.95Å
449	Q	95.8	Very high	94	Very high	53 Å²	53	50.1 Å²	50.1	25%	0.248	26%	0.259	C	S	.	.			trans	-67.7	136.4	173.8	-172.3	172.3	-41.1	0	0	110.3	P317 R379 L444 T451	P317-Q449 HydrophobicContact CB-CB 4.09Å; P317-Q449 HydrophobicContact CB-CG 4.03Å; R379-Q449 PolarHBondContact NH1-O 3.39Å; L444-Q449 HydrophobicContact CB-CB 4.04Å; L444-Q449 WeakPolarHBondContact O-CB 3.2Å; L444-Q449 PolarHBondContact O-N 2.9Å; Q449-T451 PolarHBondContact NE2-O 3.38Å
450	N	93.4	Very high	93.8	Very high	101 Å²	101	53.8 Å²	53.8	54%	0.54	28%	0.279	S	S	.	.			trans	-114.7	-15.6	179.8	-67.9	-34.2	0	0	0	113.7	R379 W445	R379-N450 VanDerWaalsContact CZ-OD1 3.27Å; R379-N450 PolarHBondContact NH1-OD1 3.39Å; R379-N450 PolarHBondContact NH2-OD1 3.36Å; W445-N450 WeakPolarHBondContact CZ3-OD1 3.31Å
451	T	95.6	Very high	93.6	Very high	100 Å²	100	55.2 Å²	55.2	61%	0.613	28%	0.284	S	S	*	.	S	Bend	trans	-95.1	144.4	-177.8	51.5	0	0	0	0	110.2	Q449	Q449-T451 PolarHBondContact NE2-O 3.38Å
452	S	96.6	Very high	93.3	Very high	48 Å²	48	58 Å²	58	34%	0.336	30%	0.295	S	S	.	.			trans	-51.3	140.3	172	-54.4	0	0	0	0	111.1	D313 A315 H454	D313-S452 VanDerWaalsContact OD2-CB 3.31Å; D313-S452 WeakPolarHBondContact OD2-CB 3.38Å; D313-S452 PolarHBondContact OD2-OG 3.1Å; A315-S452 CarbonylContact O-C 3.55Å; A315-S452 VanDerWaalsContact O-CA 3.29Å; A315-S452 WeakPolarHBondContact O-CA 3.25Å; S452-H454 VanDerWaalsContact CB-NE2 3.32Å; S452-H454 WeakPolarHBondContact CB-NE2 3.35Å
453	Y	96.4	Very high	93	Very high	20 Å²	20	59.2 Å²	59.2	8%	0.078	30%	0.301	C	S	.	.			trans	-104.2	103.6	-179.2	-175.9	-107.8	0	0	0	109.9	A315 F320 P414 L444 E455 W456	A315-Y453 PolarHBondContact O-N 3.34Å; F320-Y453 HydrophobicContact CB-CD1 4.01Å; F320-Y453 HydrophobicContact CB-CE1 4.48Å; F320-Y453 AromaticContact CD1-CD1 3.62Å; F320-Y453 HydrophobicContact CD1-CD1 3.62Å; F320-Y453 HydrophobicContact CD1-CE1 4.06Å; F320-Y453 AromaticContact CD2-CD1 3.77Å; F320-Y453 HydrophobicContact CD2-CD1 3.77Å; F320-Y453 HydrophobicContact CD2-CG 4.21Å; F320-Y453 AromaticContact CE1-CD1 3.98Å; F320-Y453 HydrophobicContact CE1-CD1 3.98Å; F320-Y453 HydrophobicContact CE2-CD1 4.1Å; F320-Y453 AromaticContact CG-CD1 3.5Å; F320-Y453 HydrophobicContact CG-CD1 3.5Å; F320-Y453 VanDerWaalsContact CG-CD1 3.5Å; F320-Y453 HydrophobicContact CG-CE1 4.21Å; F320-Y453 HydrophobicContact CG-CG 4.3Å; F320-Y453 HydrophobicContact CZ-CD1 4.2Å; P414-Y453 HydrophobicContact CB-CE1 3.79Å; P414-Y453 VanDerWaalsContact CD-OH 3.23Å; P414-Y453 WeakPolarHBondContact CD-OH 3.4Å; P414-Y453 HydrophobicContact CG-CE1 4.08Å; P414-Y453 HydrophobicContact CG-CE2 4.16Å; P414-Y453 WeakPolarHBondContact CG-OH 3.19Å; L444-Y453 HydrophobicContact CD1-CD1 4.16Å; L444-Y453 HydrophobicContact CD1-CD2 3.83Å; L444-Y453 HydrophobicContact CD1-CE2 4.25Å; L444-Y453 HydrophobicContact CD1-CG 3.79Å; Y453-E455 HydrophobicContact CE1-CB 4.33Å; Y453-E455 HydrophobicContact CE2-CB 3.84Å; Y453-E455 HydrophobicContact CE2-CG 4.13Å; Y453-W456 HydrophobicContact CD1-CB 4.14Å; Y453-W456 HydrophobicContact CE1-CB 3.69Å
454	H	94.8	Very high	92.5	Very high	130 Å²	130	63 Å²	63	60%	0.602	32%	0.324	S	S	*	.			trans	-102.3	-1.7	-174.7	-64	-66.2	0	0	0	114.3	A315 S452 W456	A315-H454 VanDerWaalsContact CB-CE1 3.43Å; A315-H454 WeakPolarHBondContact CB-CE1 3.32Å; A315-H454 WeakPolarHBondContact CB-ND1 3.17Å; S452-H454 VanDerWaalsContact CB-NE2 3.32Å; S452-H454 WeakPolarHBondContact CB-NE2 3.35Å; H454-W456 VanDerWaalsContact C-N 3.33Å
455	E	93.5	Very high	91.9	Very high	147 Å²	147	68.2 Å²	68.2	69%	0.687	35%	0.345	S	S	*	.	S	Bend	trans	-74.5	-24.8	-177.2	-63.2	-177.5	173.7	0	0	112.5	Y453	Y453-E455 HydrophobicContact CE1-CB 4.33Å; Y453-E455 HydrophobicContact CE2-CB 3.84Å; Y453-E455 HydrophobicContact CE2-CG 4.13Å
456	W	92.7	Very high	90.8	Very high	31 Å²	31	74 Å²	74	12%	0.117	41%	0.413	C	S	.	.			trans	-82.2	124.5	175.4	-173.5	94.6	0	0	0	111.3	F320 W353 R416 Y453 H454 H458 Y461	F320-W456 HydrophobicContact CD1-CB 3.96Å; F320-W456 HydrophobicContact CD1-CG 4.14Å; F320-W456 HydrophobicContact CE1-CB 3.6Å; F320-W456 AromaticContact CE1-CD2 3.99Å; F320-W456 HydrophobicContact CE1-CD2 3.99Å; F320-W456 HydrophobicContact CE1-CE3 4.01Å; F320-W456 AromaticContact CE1-CG 3.83Å; F320-W456 HydrophobicContact CE1-CG 3.83Å; W353-W456 HydrophobicContact CH2-CH2 4.2Å; W353-W456 AromaticContact CH2-CZ2 3.71Å; W353-W456 HydrophobicContact CH2-CZ2 3.71Å; W353-W456 HydrophobicContact CZ2-CH2 4.25Å; W353-W456 HydrophobicContact CZ2-CZ2 4.02Å; W353-W456 AromaticContact CZ3-CZ2 4Å; W353-W456 HydrophobicContact CZ3-CZ2 4Å; R416-W456 HydrophobicContact CB-CD2 3.92Å; R416-W456 HydrophobicContact CB-CE3 4.16Å; R416-W456 HydrophobicContact CB-CH2 4Å; R416-W456 HydrophobicContact CB-CZ2 3.75Å; R416-W456 HydrophobicContact CB-CZ3 4.2Å; R416-W456 HydrophobicContact CG-CZ3 4.5Å; Y453-W456 HydrophobicContact CD1-CB 4.14Å; Y453-W456 HydrophobicContact CE1-CB 3.69Å; H454-W456 VanDerWaalsContact C-N 3.33Å; W456-H458 HydrophobicContact CH2-CB 3.88Å; W456-H458 HydrophobicContact CZ3-CB 4.09Å; W456-Y461 AromaticContact CD1-CE2 3.3Å; W456-Y461 AromaticContact CD1-CZ 3.8Å; W456-Y461 HydrophobicContact CD2-CE2 4.34Å; W456-Y461 AromaticContact CE2-CD2 3.86Å; W456-Y461 AromaticContact CE2-CE2 3.88Å; W456-Y461 HydrophobicContact CG-CE2 4.01Å; W456-Y461 HydrophobicContact CZ2-CD2 4.21Å; W456-Y461 AromaticContact NE1-CD2 3.48Å; W456-Y461 AromaticContact NE1-CE2 3.18Å; W456-Y461 AromaticContact NE1-CZ 3.84Å
457	K	90.6	Very high	90.6	Very high	123 Å²	123	77.2 Å²	77.2	54%	0.535	43%	0.431	S	S	.	.			trans	-128.7	131.7	173.4	-53.6	175.5	-177.4	170.6	0	110	V459 D460 Y461	K457-V459 HydrophobicContact CB-CG2 4.04Å; K457-V459 PolarHBondContact O-N 3.05Å; K457-V459 VanDerWaalsContact O-N 3.16Å; K457-D460 WeakPolarHBondContact CB-OD2 3.49Å; K457-D460 WeakPolarHBondContact O-CB 3.26Å; K457-D460 PolarHBondContact O-N 2.81Å; K457-Y461 VanDerWaalsContact O-CD2 3.28Å; K457-Y461 WeakPolarHBondContact O-CD2 3.47Å
458	H	87.3	Confident	90.4	Very high	78 Å²	78	79.5 Å²	79.5	36%	0.361	45%	0.446	S	S	.	.	H	α-helix	trans	-52.3	-41	-179.5	-175.6	-95.9	0	0	0	112.9	W353 W456 D460 Y461 E462	W353-H458 AromaticContact NE1-CD2 3.83Å; W353-H458 AromaticContact NE1-NE2 3.45Å; W353-H458 PolarHBondContact NE1-NE2 2.96Å; W456-H458 HydrophobicContact CH2-CB 3.88Å; W456-H458 HydrophobicContact CZ3-CB 4.09Å; H458-D460 PolarHBondContact O-N 3.06Å; H458-Y461 PolarHBondContact O-N 3.04Å; H458-E462 IonicContact CE1-OE1 3.15Å; H458-E462 IonicContact CE1-OE2 3.32Å; H458-E462 PolarHBondContact CE1-OE2 3.05Å; H458-E462 IonicContact ND1-OE2 3.91Å; H458-E462 PolarHBondContact ND1-OE2 3.45Å; H458-E462 PolarHBondContact O-N 2.88Å
459	V	89.6	Confident	90.1	Very high	101 Å²	101	82.9 Å²	82.9	61%	0.612	46%	0.46	S	S	*	.	H	α-helix	trans	-61.3	-24.9	-178.3	-62.5	0	0	0	0	113.9	K457 Y461	K457-V459 HydrophobicContact CB-CG2 4.04Å; K457-V459 PolarHBondContact O-N 3.05Å; K457-V459 VanDerWaalsContact O-N 3.16Å; V459-Y461 PolarHBondContact O-N 2.98Å
460	D	88.7	Confident	89.8	Confident	78 Å²	78	84.6 Å²	84.6	42%	0.417	47%	0.472	S	S	.	.	H	α-helix	trans	-74.8	-22.1	179.8	-61.4	-25.9	0	0	0	111.3	R354 K457 H458	R354-D460 WeakPolarHBondContact CD-O 3.16Å; R354-D460 PolarHBondContact NH1-O 3.46Å; K457-D460 WeakPolarHBondContact CB-OD2 3.49Å; K457-D460 WeakPolarHBondContact O-CB 3.26Å; K457-D460 PolarHBondContact O-N 2.81Å; H458-D460 PolarHBondContact O-N 3.06Å
461	Y	88.8	Confident	89.5	Confident	30 Å²	30	83.6 Å²	83.6	12%	0.118	47%	0.468	C	S	.	.	H	α-helix	trans	-109.7	-23.6	-177.5	-56.1	-80.6	0	0	0	113.2	W353 R354 V356 M415 W456 K457 H458 V459 L463	W353-Y461 CarbonylContact C-O 3.51Å; W353-Y461 VanDerWaalsContact CA-O 3.22Å; W353-Y461 WeakPolarHBondContact CA-O 3.37Å; R354-Y461 WeakPolarHBondContact CG-O 3.21Å; R354-Y461 PolarHBondContact N-O 2.96Å; V356-Y461 HydrophobicContact CG2-CD1 4.09Å; V356-Y461 HydrophobicContact CG2-CE1 3.6Å; M415-Y461 HydrophobicContact CE-CD1 3.92Å; M415-Y461 HydrophobicContact CE-CE1 4.13Å; M415-Y461 HydrophobicContact CE-CG 4.31Å; M415-Y461 HydrophobicContact SD-CD1 3.99Å; M415-Y461 HydrophobicContact SD-CE1 3.56Å; M415-Y461 VanDerWaalsContact SD-CE1 3.56Å; M415-Y461 HydrophobicContact SD-CE2 4.35Å; W456-Y461 AromaticContact CD1-CE2 3.3Å; W456-Y461 AromaticContact CD1-CZ 3.8Å; W456-Y461 HydrophobicContact CD2-CE2 4.34Å; W456-Y461 AromaticContact CE2-CD2 3.86Å; W456-Y461 AromaticContact CE2-CE2 3.88Å; W456-Y461 HydrophobicContact CG-CE2 4.01Å; W456-Y461 HydrophobicContact CZ2-CD2 4.21Å; W456-Y461 AromaticContact NE1-CD2 3.48Å; W456-Y461 AromaticContact NE1-CE2 3.18Å; W456-Y461 AromaticContact NE1-CZ 3.84Å; K457-Y461 VanDerWaalsContact O-CD2 3.28Å; K457-Y461 WeakPolarHBondContact O-CD2 3.47Å; H458-Y461 PolarHBondContact O-N 3.04Å; V459-Y461 PolarHBondContact O-N 2.98Å; Y461-L463 PolarHBondContact O-N 2.76Å
462	E	89.5	Confident	89.1	Confident	78 Å²	78	82.5 Å²	82.5	36%	0.364	46%	0.458	S	S	.	.	B	Isolated β-bridge	trans	-61.6	128.1	-177.1	-165.8	171.9	-170	0	0	111.9	H458 T464	H458-E462 IonicContact CE1-OE1 3.15Å; H458-E462 IonicContact CE1-OE2 3.32Å; H458-E462 PolarHBondContact CE1-OE2 3.05Å; H458-E462 IonicContact ND1-OE2 3.91Å; H458-E462 PolarHBondContact ND1-OE2 3.45Å; H458-E462 PolarHBondContact O-N 2.88Å; E462-T464 HydrophobicContact CB-CG2 4.37Å; E462-T464 HydrophobicContact CG-CG2 3.8Å; E462-T464 PolarHBondContact O-N 2.84Å
463	L	86.4	Confident	88.6	Confident	26 Å²	26	85 Å²	85	14%	0.136	47%	0.467	C	S	.	.			trans	-84.3	103.4	172.3	-68.3	168	0	0	0	109.1	K352 R354 Y461	K352-L463 WeakPolarHBondContact O-CB 3.44Å; K352-L463 PolarHBondContact O-N 3.03Å; R354-L463 HydrophobicContact CG-CD2 3.67Å; R354-L463 HydrophobicContact CG-CG 4.25Å; Y461-L463 PolarHBondContact O-N 2.76Å
464	T	86.1	Confident	88	Confident	85 Å²	85	90 Å²	90	52%	0.521	50%	0.497	S	S	.	.			trans	-115.5	159.5	176.8	63.9	0	0	0	0	111.3	V189 E462	V189-T464 VanDerWaalsContact CG2-O 3.26Å; V189-T464 WeakPolarHBondContact CG2-O 3.17Å; E462-T464 HydrophobicContact CB-CG2 4.37Å; E462-T464 HydrophobicContact CG-CG2 3.8Å; E462-T464 PolarHBondContact O-N 2.84Å
465	Y	83	Confident	87.5	Confident	113 Å²	113	86.7 Å²	86.7	44%	0.443	49%	0.488	S	S	.	.			trans	-68.8	133.2	161.7	-62	-71.5	0	0	0	107.7	D187 V189 K216	D187-Y465 PolarHBondContact OD2-OH 2.77Å; V189-Y465 HydrophobicContact CB-CD1 4.29Å; V189-Y465 HydrophobicContact CB-CE1 3.89Å; V189-Y465 HydrophobicContact CB-CE2 4.35Å; V189-Y465 HydrophobicContact CG1-CD2 4.28Å; V189-Y465 HydrophobicContact CG1-CE1 4.33Å; V189-Y465 HydrophobicContact CG1-CE2 3.87Å; V189-Y465 HydrophobicContact CG2-CD1 3.86Å; V189-Y465 HydrophobicContact CG2-CE1 3.97Å; V189-Y465 HydrophobicContact CG2-CG 4.17Å; K216-Y465 WeakPolarHBondContact CB-OH 3.43Å
466	G	73.4	Confident	86.9	Confident	150 Å²	150	81.2 Å²	81.2	100%	1.546	47%	0.47	S	S	*	.			trans	-75.3	0	177.4	0	0	0	0	0	113.3

Retrieved 466 of 466 residues in 248.8 ms (Link to these results)

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