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Vitellogenin-3

Vitellogenin is the major yolk protein of eggs where it is used as a food source during embryogenesis. Vitellogenins and their receptor yl/yolkless are required for maintenance of microtubule plus-end orientation towards the posterior pole of oocytes¹. Involved in polarized localization of germ plasm components, such as osk mRNA and vas protein, to the oocyte posterior cortex². Receptor-mediated endocytosis by yl/yolkless is crucial for actin reorganization, mediated by osk isoform A/Long, required to anchor germ plasm components to the oocyte cortex³.

AlphaFold DB , UniProt , Accession P06607, Species DROME (Drosophila melanogaster, Fruit fly), Gene Yp3, Length 420 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	37.6	Very low	33.1	Very low	246 Å²	246	157.9 Å²	157.9	100%	1.212	85%	0.848	S	S	*	*				0	116.8	0	-80.9	172.2	160	0	0	108	S3	M1-S3 PolarHBondContact O-N 3.15Å
2	M	32.1	Very low	32.9	Very low	193 Å²	193	154.7 Å²	154.7	95%	0.951	85%	0.845	S	S	*	*			trans	-57.7	129.7	179.4	-70	163.2	108.5	0	0	110.6
3	S	35.2	Very low	32.7	Very low	101 Å²	101	156.6 Å²	156.6	71%	0.706	85%	0.852	S	S	*	*			trans	-139.5	78.4	158	178.6	0	0	0	0	108	M1 R5	M1-S3 PolarHBondContact O-N 3.15Å; S3-R5 PolarHBondContact O-N 3.37Å
4	L	34.7	Very low	32.9	Very low	148 Å²	148	155.8 Å²	155.8	78%	0.775	85%	0.845	S	S	*	*			trans	-77.8	103.9	169.7	-160.5	80.3	0	0	0	107.1	I6	L4-I6 HydrophobicContact CD2-CD1 3.94Å; L4-I6 HydrophobicContact CD2-CG1 4.48Å; L4-I6 HydrophobicContact CG-CD1 4.38Å; L4-I6 HydrophobicContact CG-CG1 4.38Å
5	R	35.9	Very low	33.1	Very low	237 Å²	237	155.1 Å²	155.1	89%	0.894	85%	0.848	S	S	*	*			trans	-113.6	102.1	169.1	-79.4	-169.3	176.5	-173.8	-0.4	109.2	S3	S3-R5 PolarHBondContact O-N 3.37Å
6	I	33.2	Very low	33.3	Very low	133 Å²	133	151.6 Å²	151.6	68%	0.682	85%	0.846	S	S	*	*			trans	-79.8	151	175	-74.1	166.1	0	0	0	109.7	L4	L4-I6 HydrophobicContact CD2-CD1 3.94Å; L4-I6 HydrophobicContact CD2-CG1 4.48Å; L4-I6 HydrophobicContact CG-CD1 4.38Å; L4-I6 HydrophobicContact CG-CG1 4.38Å
7	C	30	Very low	33.8	Very low	101 Å²	101	146.9 Å²	146.9	68%	0.682	83%	0.831	S	S	*	*			trans	76.6	99.9	160.3	-81.5	0	0	0	0	119.1
8	L	33.3	Very low	34.1	Very low	187 Å²	187	148.9 Å²	148.9	98%	0.979	83%	0.832	S	S	*	*			trans	-140.7	84.5	136.2	-98.1	139.4	0	0	0	107.7
9	L	30.3	Very low	34.2	Very low	162 Å²	162	146 Å²	146	85%	0.848	83%	0.829	S	S	*	*			trans	-87.3	146.4	164.9	-114.1	132.7	0	0	0	108
10	A	32.5	Very low	34.6	Very low	92 Å²	92	143 Å²	143	76%	0.76	82%	0.817	S	S	*	*			trans	80.9	83.5	164.6	0	0	0	0	0	117.6
11	T	29.2	Very low	35	Very low	137 Å²	137	144.7 Å²	144.7	84%	0.84	82%	0.815	S	S	*	*			trans	-137.6	110.5	141.2	48.6	0	0	0	0	110.9
12	C	31.1	Very low	35.5	Very low	119 Å²	119	139.5 Å²	139.5	80%	0.804	79%	0.793	S	S	*	*			trans	78.2	58.5	143.7	-57.2	0	0	0	0	119.6	L14	C12-L14 PolarHBondContact O-N 3.42Å
13	L	30.5	Very low	36.3	Very low	180 Å²	180	133.5 Å²	133.5	94%	0.942	77%	0.773	S	S	*	*			trans	-80.9	84.1	146.8	-100.6	155.2	0	0	0	108.6
14	L	35.5	Very low	37	Very low	145 Å²	145	132.3 Å²	132.3	76%	0.759	77%	0.765	S	S	*	*			trans	-155.6	16.9	169.3	-107.9	172.9	0	0	0	116.4	C12	C12-L14 PolarHBondContact O-N 3.42Å
15	V	35.3	Very low	37.8	Very low	146 Å²	146	130.6 Å²	130.6	89%	0.885	76%	0.757	S	S	*	*	S	Bend	trans	-101.9	-4.7	-179.5	-172.1	0	0	0	0	114.4
16	A	36.8	Very low	38.5	Very low	98 Å²	98	122.8 Å²	122.8	81%	0.81	73%	0.733	S	S	*	*	S	Bend	trans	-101.2	10.7	-175.9	0	0	0	0	0	116.2
17	A	40.9	Very low	39.3	Very low	72 Å²	72	126.5 Å²	126.5	60%	0.595	74%	0.738	S	S	*	*	S	Bend	trans	-99.5	-5.2	-174.4	0	0	0	0	0	116
18	H	39.3	Very low	40.6	Very low	184 Å²	184	127.2 Å²	127.2	85%	0.852	73%	0.734	S	S	*	*	S	Bend	trans	-110	1.1	-175.7	-73.2	89.7	0	0	0	115.5
19	A	36.8	Very low	42.1	Very low	93 Å²	93	123.2 Å²	123.2	77%	0.769	71%	0.709	S	S	*	*	S	Bend	trans	-122.5	73.9	179.9	0	0	0	0	0	111.4
20	S	41.2	Very low	43.8	Very low	85 Å²	85	116.4 Å²	116.4	59%	0.594	68%	0.675	S	S	*	*	S	Bend	trans	-175.8	-11.2	154.1	51.9	0	0	0	0	115.9	D22 A23	S20-D22 VanDerWaalsContact C-N 3.31Å; S20-D22 PolarHBondContact O-N 3.15Å; S20-A23 PolarHBondContact O-N 3.46Å
21	K	44.2	Very low	45.4	Very low	179 Å²	179	116.4 Å²	116.4	78%	0.778	67%	0.665	S	S	*	*	H	α-helix	trans	-64.8	-30	-178.4	-82.4	-171.9	175.6	-179.7	0	114.5	S24	K21-S24 PolarHBondContact O-OG 3.03Å
22	D	47	Very low	47.2	Very low	138 Å²	138	116.7 Å²	116.7	74%	0.738	66%	0.655	S	S	*	*	H	α-helix	trans	-83.6	-28.1	-179.1	-69	-30.2	0	0	0	113.6	S20 S24 N25 D26	S20-D22 VanDerWaalsContact C-N 3.31Å; S20-D22 PolarHBondContact O-N 3.15Å; D22-S24 PolarHBondContact O-N 2.93Å; D22-N25 PolarHBondContact O-N 2.92Å; D22-D26 PolarHBondContact O-N 3.32Å
23	A	48.9	Very low	49.1	Very low	66 Å²	66	116.2 Å²	116.2	55%	0.545	64%	0.637	S	S	.	*	H	α-helix	trans	-71.8	-27.1	-177.4	0	0	0	0	0	113.4	S20	S20-A23 PolarHBondContact O-N 3.46Å
24	S	51.2	Low	50.9	Low	76 Å²	76	108 Å²	108	53%	0.531	59%	0.593	S	S	.	*	H	α-helix	trans	-75.8	-36.2	177.2	63.8	0	0	0	0	112.4	K21 D22	K21-S24 PolarHBondContact O-OG 3.03Å; D22-S24 PolarHBondContact O-N 2.93Å
25	N	49.8	Very low	52.9	Low	112 Å²	112	104.7 Å²	104.7	60%	0.599	58%	0.579	S	S	*	*	H	α-helix	trans	-72.5	-35.2	-179.4	-113.4	3	0	0	0	112	D22 R27 L28	D22-N25 PolarHBondContact O-N 2.92Å; N25-R27 VanDerWaalsContact C-N 3.26Å; N25-R27 PolarHBondContact O-N 3.26Å; N25-L28 PolarHBondContact O-N 2.83Å
26	D	51.2	Low	54.9	Low	73 Å²	73	100.8 Å²	100.8	39%	0.39	56%	0.563	S	S	.	*	H	α-helix	trans	-66.7	-24.3	-179.4	-108.8	11	0	0	0	114	D22 L28 K29	D22-D26 PolarHBondContact O-N 3.32Å; D26-L28 PolarHBondContact O-N 2.86Å; D26-K29 WeakPolarHBondContact OD1-CD 3.37Å; D26-K29 WeakPolarHBondContact OD1-CE 3.39Å; D26-K29 IonicContact OD1-NZ 2.58Å; D26-K29 PolarHBondContact OD1-NZ 2.79Å
27	R	51	Low	57	Low	211 Å²	211	100.4 Å²	100.4	80%	0.796	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	-17.7	176.1	-73.9	-175	174.7	-171.7	-1.3	113.6	N25	N25-R27 VanDerWaalsContact C-N 3.26Å; N25-R27 PolarHBondContact O-N 3.26Å
28	L	57.3	Low	58.9	Low	116 Å²	116	100.7 Å²	100.7	61%	0.607	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-5.6	-178.8	-62.3	174.4	0	0	0	113.1	N25 D26	N25-L28 PolarHBondContact O-N 2.83Å; D26-L28 PolarHBondContact O-N 2.86Å
29	K	65	Low	60.6	Low	103 Å²	103	94.7 Å²	94.7	45%	0.448	51%	0.513	S	S	.	.	S	Bend	trans	-65.6	130.8	178.9	-72.5	179.4	174.1	167.2	0	110.2	D26 T31 K32	D26-K29 WeakPolarHBondContact OD1-CD 3.37Å; D26-K29 WeakPolarHBondContact OD1-CE 3.39Å; D26-K29 IonicContact OD1-NZ 2.58Å; D26-K29 PolarHBondContact OD1-NZ 2.79Å; K29-T31 PolarHBondContact O-N 2.67Å; K29-K32 WeakPolarHBondContact O-CB 3.31Å; K29-K32 PolarHBondContact O-N 3.21Å
30	P	64.9	Low	62.6	Low	20 Å²	20	97.7 Å²	97.7	13%	0.13	51%	0.511	C	S	.	.	G	3₁₀ helix	trans	-50.1	-36.9	179.2	-23.8	28.2	0	0	0	112.9	K32 W33 L34 L39 I74	P30-K32 PolarHBondContact O-N 3.41Å; P30-W33 HydrophobicContact CB-CZ2 4.16Å; P30-W33 PolarHBondContact O-N 3.13Å; P30-L34 HydrophobicContact CB-CD1 4.46Å; P30-L34 PolarHBondContact O-N 3.17Å; P30-L39 HydrophobicContact CB-CD1 4.35Å; P30-I74 HydrophobicContact CB-CD1 4.46Å; P30-I74 HydrophobicContact CG-CB 4.48Å; P30-I74 HydrophobicContact CG-CD1 3.59Å; P30-I74 HydrophobicContact CG-CG2 3.95Å
31	T	65.9	Low	64.5	Low	91 Å²	91	99.2 Å²	99.2	56%	0.558	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-61.2	-9.6	-179.7	55.1	0	0	0	0	114.9	K29 L34	K29-T31 PolarHBondContact O-N 2.67Å; T31-L34 CarbonylContact C-O 3.54Å; T31-L34 WeakPolarHBondContact CA-O 3.42Å
32	K	67.2	Low	66.3	Low	144 Å²	144	92.1 Å²	92.1	63%	0.626	48%	0.484	S	S	*	.	G	3₁₀ helix	trans	-86.6	-20.1	173.7	-65.8	-64.2	-174.4	-178.6	0	113.8	K29 P30	K29-K32 WeakPolarHBondContact O-CB 3.31Å; K29-K32 PolarHBondContact O-N 3.21Å; P30-K32 PolarHBondContact O-N 3.41Å
33	W	70.5	Confident	68	Low	109 Å²	109	86.7 Å²	86.7	41%	0.413	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.7	-6.3	-176.5	55.5	-91.1	0	0	0	113.8	P30 H70 I74	P30-W33 HydrophobicContact CB-CZ2 4.16Å; P30-W33 PolarHBondContact O-N 3.13Å; W33-H70 HydrophobicContact CH2-CB 3.31Å; W33-H70 AromaticContact CH2-CG 3.83Å; W33-H70 AromaticContact CH2-ND1 3.73Å; W33-H70 HydrophobicContact CZ2-CB 3.74Å; W33-H70 HydrophobicContact CZ3-CB 4.26Å; W33-H70 AromaticContact CZ3-ND1 3.86Å; W33-I74 HydrophobicContact CZ2-CD1 3.84Å
34	L	70	Confident	69.7	Low	7 Å²	7	86 Å²	86	4%	0.037	45%	0.448	C	S	.	.	S	Bend	trans	-122.6	132.2	164.6	-76.6	159	0	0	0	108.3	P30 T31 E38 L39 K67	P30-L34 HydrophobicContact CB-CD1 4.46Å; P30-L34 PolarHBondContact O-N 3.17Å; T31-L34 CarbonylContact C-O 3.54Å; T31-L34 WeakPolarHBondContact CA-O 3.42Å; L34-E38 HydrophobicContact CB-CB 4.41Å; L34-E38 HydrophobicContact CD2-CB 3.67Å; L34-L39 HydrophobicContact CD1-CD1 4.25Å; L34-K67 HydrophobicContact CD2-CD 4.46Å; L34-K67 HydrophobicContact CD2-CG 4.49Å
35	T	77.6	Confident	71.3	Confident	76 Å²	76	83.7 Å²	83.7	47%	0.466	43%	0.429	S	S	.	.			trans	-64	157	166	60.7	0	0	0	0	110.3	T37 E38 L39	T35-T37 PolarHBondContact O-N 3.43Å; T35-E38 WeakPolarHBondContact CB-OE2 3.45Å; T35-E38 WeakPolarHBondContact CG2-OE2 3.06Å; T35-E38 PolarHBondContact N-OE2 3.31Å; T35-E38 PolarHBondContact O-N 3.22Å; T35-E38 WeakPolarHBondContact OG1-CB 3.3Å; T35-E38 WeakPolarHBondContact OG1-CG 3.19Å; T35-E38 PolarHBondContact OG1-N 2.51Å; T35-E38 VanDerWaalsContact OG1-N 3.11Å; T35-E38 PolarHBondContact OG1-OE2 2.9Å; T35-L39 PolarHBondContact O-N 3.33Å
36	A	76.5	Confident	73.1	Confident	64 Å²	64	83.4 Å²	83.4	53%	0.529	43%	0.428	S	S	.	.	H	α-helix	trans	-54.6	-43.5	175.5	0	0	0	0	0	111.3	E38 L39 E40	A36-E38 PolarHBondContact O-N 3.32Å; A36-L39 WeakPolarHBondContact O-CB 3.08Å; A36-L39 PolarHBondContact O-N 2.8Å; A36-E40 WeakPolarHBondContact O-CG 3.46Å; A36-E40 PolarHBondContact O-N 3.32Å
37	T	81	Confident	74.9	Confident	90 Å²	90	84.3 Å²	84.3	55%	0.552	43%	0.433	S	S	*	.	H	α-helix	trans	-60.5	-40.9	175	-49.8	0	0	0	0	112.5	T35 L39 N41	T35-T37 PolarHBondContact O-N 3.43Å; T37-L39 VanDerWaalsContact C-N 3.35Å; T37-N41 WeakPolarHBondContact O-CB 3.46Å; T37-N41 VanDerWaalsContact O-CG 3.31Å; T37-N41 PolarHBondContact O-N 2.91Å; T37-N41 VanDerWaalsContact O-N 3.1Å; T37-N41 PolarHBondContact O-ND2 3.23Å
38	E	80	Confident	76.8	Confident	77 Å²	77	74.4 Å²	74.4	36%	0.36	40%	0.396	S	S	.	.	H	α-helix	trans	-68.9	-34.2	176	-75.3	169.3	122.6	0	0	113	L34 T35 A36 N41 V42	L34-E38 HydrophobicContact CB-CB 4.41Å; L34-E38 HydrophobicContact CD2-CB 3.67Å; T35-E38 WeakPolarHBondContact CB-OE2 3.45Å; T35-E38 WeakPolarHBondContact CG2-OE2 3.06Å; T35-E38 PolarHBondContact N-OE2 3.31Å; T35-E38 PolarHBondContact O-N 3.22Å; T35-E38 WeakPolarHBondContact OG1-CB 3.3Å; T35-E38 WeakPolarHBondContact OG1-CG 3.19Å; T35-E38 PolarHBondContact OG1-N 2.51Å; T35-E38 VanDerWaalsContact OG1-N 3.11Å; T35-E38 PolarHBondContact OG1-OE2 2.9Å; A36-E38 PolarHBondContact O-N 3.32Å; E38-N41 PolarHBondContact O-N 3.31Å; E38-V42 WeakPolarHBondContact O-CG2 3.38Å; E38-V42 PolarHBondContact O-N 2.98Å
39	L	76.2	Confident	78.6	Confident	59 Å²	59	71.9 Å²	71.9	31%	0.309	39%	0.385	S	S	.	.	H	α-helix	trans	-68.7	-42.6	176.8	-173.5	66.2	0	0	0	111.3	P30 L34 T35 A36 T37 N41 V42 V71	P30-L39 HydrophobicContact CB-CD1 4.35Å; L34-L39 HydrophobicContact CD1-CD1 4.25Å; T35-L39 PolarHBondContact O-N 3.33Å; A36-L39 WeakPolarHBondContact O-CB 3.08Å; A36-L39 PolarHBondContact O-N 2.8Å; T37-L39 VanDerWaalsContact C-N 3.35Å; L39-N41 VanDerWaalsContact C-N 3.25Å; L39-N41 PolarHBondContact O-N 3.3Å; L39-V42 HydrophobicContact CD1-CG2 4.41Å; L39-V42 WeakPolarHBondContact O-CB 3.41Å; L39-V42 WeakPolarHBondContact O-CG2 3.41Å; L39-V42 PolarHBondContact O-N 3.48Å; L39-V71 HydrophobicContact CD1-CG2 3.91Å
40	E	77.4	Confident	80.1	Confident	156 Å²	156	67.9 Å²	67.9	73%	0.729	37%	0.367	S	S	*	.	H	α-helix	trans	-62.4	-33.5	174.2	-73.8	170.2	-174.6	0	0	112.2	A36 V42	A36-E40 WeakPolarHBondContact O-CG 3.46Å; A36-E40 PolarHBondContact O-N 3.32Å; E40-V42 VanDerWaalsContact C-N 3.33Å
41	N	81.8	Confident	81.6	Confident	117 Å²	117	73.8 Å²	73.8	63%	0.626	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	6.4	177.9	-71.8	-52.5	0	0	0	113.9	T37 E38 L39 P43	T37-N41 WeakPolarHBondContact O-CB 3.46Å; T37-N41 VanDerWaalsContact O-CG 3.31Å; T37-N41 PolarHBondContact O-N 2.91Å; T37-N41 VanDerWaalsContact O-N 3.1Å; T37-N41 PolarHBondContact O-ND2 3.23Å; E38-N41 PolarHBondContact O-N 3.31Å; L39-N41 VanDerWaalsContact C-N 3.25Å; L39-N41 PolarHBondContact O-N 3.3Å; N41-P43 WeakPolarHBondContact O-CD 3.26Å
42	V	81.1	Confident	83	Confident	29 Å²	29	73.6 Å²	73.6	18%	0.176	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-66	122.4	172.8	175.5	0	0	0	0	108.4	E38 L39 E40 K67 I68 V71	E38-V42 WeakPolarHBondContact O-CG2 3.38Å; E38-V42 PolarHBondContact O-N 2.98Å; L39-V42 HydrophobicContact CD1-CG2 4.41Å; L39-V42 WeakPolarHBondContact O-CB 3.41Å; L39-V42 WeakPolarHBondContact O-CG2 3.41Å; L39-V42 PolarHBondContact O-N 3.48Å; E40-V42 VanDerWaalsContact C-N 3.33Å; V42-K67 HydrophobicContact CG2-CB 4.45Å; V42-K67 HydrophobicContact CG2-CD 4.48Å; V42-I68 HydrophobicContact CG1-CG1 4.13Å; V42-V71 HydrophobicContact CG2-CG2 4.44Å
43	P	84.1	Confident	84.4	Confident	25 Å²	25	66.7 Å²	66.7	16%	0.162	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-63.1	146.3	-179.8	25.3	-33	0	0	0	110.8	N41 D47 I48 V64	N41-P43 WeakPolarHBondContact O-CD 3.26Å; P43-D47 HydrophobicContact CB-CB 3.94Å; P43-I48 HydrophobicContact CB-CG1 4.43Å; P43-I48 HydrophobicContact CG-CD1 4.4Å; P43-I48 HydrophobicContact CG-CG1 4.29Å; P43-V64 HydrophobicContact CG-CG1 4.08Å
44	S	84.8	Confident	85.6	Confident	52 Å²	52	63.1 Å²	63.1	36%	0.364	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-68.1	161.2	169	80.3	0	0	0	0	110.2	N46 D47	S44-N46 PolarHBondContact O-N 2.91Å; S44-N46 VanDerWaalsContact O-N 3.12Å; S44-N46 PolarHBondContact OG-N 3Å; S44-D47 WeakPolarHBondContact CA-OD2 3.08Å; S44-D47 VanDerWaalsContact CB-OD2 3.22Å; S44-D47 WeakPolarHBondContact CB-OD2 3.46Å; S44-D47 PolarHBondContact N-OD2 3.48Å; S44-D47 PolarHBondContact O-N 3.02Å; S44-D47 PolarHBondContact OG-N 3.04Å; S44-D47 PolarHBondContact OG-OD2 3.31Å
45	L	85.1	Confident	86.9	Confident	26 Å²	26	68.7 Å²	68.7	14%	0.136	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-25	174.6	-78.3	177	0	0	0	113.3	D47 I68 L78 F207 A211 M212	L45-D47 VanDerWaalsContact C-N 3.34Å; L45-I68 HydrophobicContact CD2-CD1 4.06Å; L45-I68 HydrophobicContact CD2-CG2 3.82Å; L45-L78 HydrophobicContact CD1-CD1 4.11Å; L45-L78 HydrophobicContact CD1-CD2 3.57Å; L45-F207 HydrophobicContact CD2-CD1 4.11Å; L45-F207 HydrophobicContact CD2-CE1 3.89Å; L45-A211 HydrophobicContact CD1-CB 4.22Å; L45-A211 HydrophobicContact CD2-CB 3.78Å; L45-M212 HydrophobicContact CD1-CG 4.39Å; L45-M212 HydrophobicContact CD1-SD 3.95Å
46	N	85.9	Confident	87.7	Confident	107 Å²	107	66.4 Å²	66.4	57%	0.572	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-24.6	176.7	-65.9	-26	0	0	0	112.1	S44 I48 K208	S44-N46 PolarHBondContact O-N 2.91Å; S44-N46 VanDerWaalsContact O-N 3.12Å; S44-N46 PolarHBondContact OG-N 3Å; N46-I48 VanDerWaalsContact C-N 3.27Å; N46-I48 PolarHBondContact O-N 2.84Å; N46-K208 WeakPolarHBondContact OD1-CD 3.09Å
47	D	88.9	Confident	88.8	Confident	91 Å²	91	66.8 Å²	66.8	49%	0.487	35%	0.351	S	S	.	.	S	Bend	trans	-85	-3.6	-179	-51.9	-42.8	0	0	0	112.7	P43 S44 L45 R52	P43-D47 HydrophobicContact CB-CB 3.94Å; S44-D47 WeakPolarHBondContact CA-OD2 3.08Å; S44-D47 VanDerWaalsContact CB-OD2 3.22Å; S44-D47 WeakPolarHBondContact CB-OD2 3.46Å; S44-D47 PolarHBondContact N-OD2 3.48Å; S44-D47 PolarHBondContact O-N 3.02Å; S44-D47 PolarHBondContact OG-N 3.04Å; S44-D47 PolarHBondContact OG-OD2 3.31Å; L45-D47 VanDerWaalsContact C-N 3.34Å; D47-R52 PolarHBondContact O-NH1 3.29Å
48	I	92.6	Very high	89.6	Confident	4 Å²	4	63.5 Å²	63.5	2%	0.021	33%	0.33	C	S	.	.			trans	-100.7	115.2	170.5	-58.8	-173.6	0	0	0	108.5	P43 N46 L53 V64 I68 F207	P43-I48 HydrophobicContact CB-CG1 4.43Å; P43-I48 HydrophobicContact CG-CD1 4.4Å; P43-I48 HydrophobicContact CG-CG1 4.29Å; N46-I48 VanDerWaalsContact C-N 3.27Å; N46-I48 PolarHBondContact O-N 2.84Å; I48-L53 HydrophobicContact CG2-CD1 3.76Å; I48-L53 HydrophobicContact CG2-CD2 4.03Å; I48-L53 HydrophobicContact CG2-CG 3.81Å; I48-V64 HydrophobicContact CD1-CG1 3.34Å; I48-V64 HydrophobicContact CG1-CG1 3.93Å; I48-I68 HydrophobicContact CD1-CD1 3.11Å; I48-I68 HydrophobicContact CD1-CG1 4.22Å; I48-I68 HydrophobicContact CG1-CD1 4.08Å; I48-F207 HydrophobicContact CB-CB 4.4Å; I48-F207 HydrophobicContact CB-CD1 3.73Å; I48-F207 HydrophobicContact CB-CE1 4.27Å; I48-F207 HydrophobicContact CB-CG 4.13Å; I48-F207 HydrophobicContact CD1-CD1 4.33Å; I48-F207 HydrophobicContact CD1-CE1 4.05Å; I48-F207 HydrophobicContact CG2-CB 4.02Å; I48-F207 HydrophobicContact CG2-CD1 3.53Å; I48-F207 HydrophobicContact CG2-CD2 3.99Å; I48-F207 HydrophobicContact CG2-CE1 3.95Å; I48-F207 HydrophobicContact CG2-CE2 4.37Å; I48-F207 HydrophobicContact CG2-CG 3.55Å; I48-F207 HydrophobicContact CG2-CZ 4.36Å; I48-F207 WeakPolarHBondContact O-CB 3.15Å
49	T	95.2	Very high	90.4	Very high	62 Å²	62	64.5 Å²	64.5	38%	0.38	33%	0.334	S	S	.	.			trans	-109.9	156.5	174.7	67.1	0	0	0	0	109.9	E51 R52 L53	T49-E51 PolarHBondContact O-N 3.33Å; T49-R52 PolarHBondContact O-N 2.97Å; T49-R52 VanDerWaalsContact OG1-CB 3.31Å; T49-R52 WeakPolarHBondContact OG1-CB 3.47Å; T49-R52 PolarHBondContact OG1-N 3.21Å; T49-L53 PolarHBondContact O-N 3.4Å; T49-L53 VanDerWaalsContact O-N 3.1Å
50	W	96.2	Very high	91.4	Very high	19 Å²	19	66.9 Å²	66.9	7%	0.072	34%	0.344	C	S	.	.	H	α-helix	trans	-59.3	-39.7	171.2	-70.4	132.1	0	0	0	111.9	R52 L53 E54 P131 L204 N206 F207 Y210 M306 I333	W50-R52 VanDerWaalsContact C-N 3.33Å; W50-R52 PolarHBondContact O-N 3.32Å; W50-L53 HydrophobicContact CE3-CD1 4.03Å; W50-L53 HydrophobicContact CZ3-CD1 4.06Å; W50-L53 PolarHBondContact O-N 3.46Å; W50-E54 WeakPolarHBondContact O-CB 3.32Å; W50-E54 PolarHBondContact O-N 2.84Å; W50-P131 HydrophobicContact CB-CG 4.27Å; W50-P131 HydrophobicContact CD2-CB 4.4Å; W50-P131 HydrophobicContact CD2-CG 3.67Å; W50-P131 HydrophobicContact CE3-CG 4.18Å; W50-P131 HydrophobicContact CG-CB 4.2Å; W50-P131 HydrophobicContact CG-CG 3.71Å; W50-P131 HydrophobicContact CZ2-CG 4.35Å; W50-L204 PolarHBondContact NE1-O 3.03Å; W50-N206 VanDerWaalsContact NE1-C 3.33Å; W50-F207 HydrophobicContact CE3-CD2 4.21Å; W50-F207 AromaticContact CH2-CD2 3.91Å; W50-F207 HydrophobicContact CH2-CD2 3.91Å; W50-F207 HydrophobicContact CH2-CE2 4.43Å; W50-F207 HydrophobicContact CZ2-CD2 4.41Å; W50-F207 AromaticContact CZ3-CD2 3.8Å; W50-F207 HydrophobicContact CZ3-CD2 3.8Å; W50-F207 HydrophobicContact CZ3-CE2 4.31Å; W50-Y210 HydrophobicContact CH2-CD1 4.06Å; W50-Y210 AromaticContact CH2-CD2 3.61Å; W50-Y210 HydrophobicContact CH2-CD2 3.61Å; W50-Y210 HydrophobicContact CH2-CE2 4.16Å; W50-Y210 AromaticContact CH2-CG 3.57Å; W50-Y210 HydrophobicContact CH2-CG 3.57Å; W50-Y210 AromaticContact CZ2-CD2 3.94Å; W50-Y210 HydrophobicContact CZ2-CD2 3.94Å; W50-Y210 AromaticContact CZ2-CG 3.79Å; W50-Y210 HydrophobicContact CZ2-CG 3.79Å; W50-M306 HydrophobicContact CH2-CE 4.15Å; W50-M306 HydrophobicContact CZ3-CE 3.9Å; W50-I333 HydrophobicContact CE3-CD1 3.95Å
51	E	95.6	Very high	92.3	Very high	144 Å²	144	59.5 Å²	59.5	67%	0.673	31%	0.309	S	S	*	.	H	α-helix	trans	-58.9	-43.4	175.8	-178	179	-167.1	0	0	112.1	T49 E54 N55	T49-E51 PolarHBondContact O-N 3.33Å; E51-E54 PolarHBondContact O-N 3.38Å; E51-N55 WeakPolarHBondContact CG-ND2 3.42Å; E51-N55 WeakPolarHBondContact O-CB 3.14Å; E51-N55 PolarHBondContact O-N 3.38Å; E51-N55 PolarHBondContact O-ND2 3.38Å
52	R	95.3	Very high	93	Very high	87 Å²	87	54 Å²	54	33%	0.328	28%	0.28	S	S	.	.	H	α-helix	trans	-60.9	-48	174.7	179.5	-179.7	176	178.5	4.5	111.1	D47 T49 W50 E54 N55 Q56	D47-R52 PolarHBondContact O-NH1 3.29Å; T49-R52 PolarHBondContact O-N 2.97Å; T49-R52 VanDerWaalsContact OG1-CB 3.31Å; T49-R52 WeakPolarHBondContact OG1-CB 3.47Å; T49-R52 PolarHBondContact OG1-N 3.21Å; W50-R52 VanDerWaalsContact C-N 3.33Å; W50-R52 PolarHBondContact O-N 3.32Å; R52-E54 VanDerWaalsContact C-N 3.3Å; R52-E54 PolarHBondContact O-N 2.93Å; R52-N55 PolarHBondContact O-N 3.04Å; R52-Q56 VanDerWaalsContact NE-OE1 3.1Å; R52-Q56 WeakPolarHBondContact O-CB 3.45Å; R52-Q56 PolarHBondContact O-N 3.29Å
53	L	96.5	Very high	93.6	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-67.4	-28.1	-178.9	-66.6	179.5	0	0	0	113.6	I48 T49 W50 I65 F207 V332 I333	I48-L53 HydrophobicContact CG2-CD1 3.76Å; I48-L53 HydrophobicContact CG2-CD2 4.03Å; I48-L53 HydrophobicContact CG2-CG 3.81Å; T49-L53 PolarHBondContact O-N 3.4Å; T49-L53 VanDerWaalsContact O-N 3.1Å; W50-L53 HydrophobicContact CE3-CD1 4.03Å; W50-L53 HydrophobicContact CZ3-CD1 4.06Å; W50-L53 PolarHBondContact O-N 3.46Å; L53-I65 HydrophobicContact CD1-CD1 3.99Å; L53-I65 HydrophobicContact CD2-CD1 4.11Å; L53-I65 HydrophobicContact CD2-CG1 4.33Å; L53-F207 HydrophobicContact CD1-CD2 3.52Å; L53-F207 HydrophobicContact CD1-CE2 3.59Å; L53-F207 HydrophobicContact CD1-CG 4.38Å; L53-F207 HydrophobicContact CD1-CZ 4.49Å; L53-V332 HydrophobicContact CB-CG2 3.89Å; L53-V332 HydrophobicContact CD2-CG2 4.1Å; L53-V332 HydrophobicContact CG-CG2 4.39Å; L53-I333 HydrophobicContact CB-CD1 4.04Å; L53-I333 HydrophobicContact CB-CG1 4.24Å
54	E	95.8	Very high	94	Very high	34 Å²	34	58.1 Å²	58.1	16%	0.159	29%	0.294	C	S	.	.	H	α-helix	trans	-76.4	-36.8	176.1	-164.6	76.6	-119.7	0	0	111.8	W50 E51 R52 S134 N331 I333	W50-E54 WeakPolarHBondContact O-CB 3.32Å; W50-E54 PolarHBondContact O-N 2.84Å; E51-E54 PolarHBondContact O-N 3.38Å; R52-E54 VanDerWaalsContact C-N 3.3Å; R52-E54 PolarHBondContact O-N 2.93Å; E54-S134 VanDerWaalsContact OE2-CB 3.23Å; E54-S134 WeakPolarHBondContact OE2-CB 3.19Å; E54-S134 PolarHBondContact OE2-OG 3.05Å; E54-N331 WeakPolarHBondContact O-CB 3.5Å; E54-N331 PolarHBondContact O-ND2 2.91Å; E54-N331 PolarHBondContact OE1-ND2 3.25Å; E54-I333 HydrophobicContact CB-CD1 3.96Å; E54-I333 WeakPolarHBondContact OE2-CD1 3.32Å
55	N	96.5	Very high	94.4	Very high	123 Å²	123	55.9 Å²	55.9	66%	0.658	28%	0.278	S	S	*	.	H	α-helix	trans	-93.3	-15.7	-175.6	-68	-54	0	0	0	114	E51 R52	E51-N55 WeakPolarHBondContact CG-ND2 3.42Å; E51-N55 WeakPolarHBondContact O-CB 3.14Å; E51-N55 PolarHBondContact O-N 3.38Å; E51-N55 PolarHBondContact O-ND2 3.38Å; R52-N55 PolarHBondContact O-N 3.04Å
56	Q	96.2	Very high	94.6	Very high	29 Å²	29	58.7 Å²	58.7	14%	0.136	29%	0.291	C	S	.	.	S	Bend	trans	-84.8	136.5	-178.4	-170.2	171.7	-34.5	0	0	110.7	R52 Q60 N331	R52-Q56 VanDerWaalsContact NE-OE1 3.1Å; R52-Q56 WeakPolarHBondContact O-CB 3.45Å; R52-Q56 PolarHBondContact O-N 3.29Å; Q56-Q60 HydrophobicContact CG-CB 3.76Å; Q56-Q60 PolarHBondContact NE2-O 3.42Å; Q56-N331 WeakPolarHBondContact O-CB 3.25Å
57	P	98.1	Very high	94.7	Very high	72 Å²	72	56.4 Å²	56.4	47%	0.468	28%	0.276	S	S	.	.			trans	-54.6	142.5	177.4	-26.4	34.2	0	0	0	112.2	E59 Q60 G61	P57-E59 VanDerWaalsContact C-N 3.35Å; P57-E59 PolarHBondContact O-N 3.48Å; P57-E59 VanDerWaalsContact O-N 3.15Å; P57-Q60 PolarHBondContact O-N 3.18Å; P57-G61 PolarHBondContact O-N 3.22Å
58	L	98.3	Very high	94.6	Very high	21 Å²	21	52.6 Å²	52.6	11%	0.11	26%	0.255	C	S	.	.	H	α-helix	trans	-40.6	-56.3	-174.3	176	63.1	0	0	0	113.8	Q60 G61 A62 E330 V332 A335	L58-Q60 VanDerWaalsContact C-N 3.3Å; L58-Q60 PolarHBondContact O-N 3.33Å; L58-G61 PolarHBondContact O-N 3.24Å; L58-A62 WeakPolarHBondContact O-CB 3.44Å; L58-A62 PolarHBondContact O-N 3.39Å; L58-E330 PolarHBondContact N-O 3.01Å; L58-V332 HydrophobicContact CD1-CG1 4Å; L58-A335 HydrophobicContact CD1-CB 4.04Å
59	E	97.7	Very high	94.3	Very high	98 Å²	98	54 Å²	54	46%	0.458	26%	0.26	S	S	.	.	H	α-helix	trans	-62.7	-36	-176.6	-69.1	-56.2	138.8	0	0	113.1	P57 K63 T324	P57-E59 VanDerWaalsContact C-N 3.35Å; P57-E59 PolarHBondContact O-N 3.48Å; P57-E59 VanDerWaalsContact O-N 3.15Å; E59-K63 VanDerWaalsContact O-CG 3.3Å; E59-K63 WeakPolarHBondContact O-CG 3.17Å; E59-K63 PolarHBondContact O-N 3.44Å; E59-K63 VanDerWaalsContact O-N 3.16Å; E59-T324 WeakPolarHBondContact OE1-CB 3.41Å; E59-T324 PolarHBondContact OE1-OG1 2.98Å
60	Q	96.5	Very high	93.7	Very high	109 Å²	109	53.8 Å²	53.8	51%	0.509	26%	0.255	S	S	.	.	H	α-helix	trans	-74	-41.3	178	-58.6	-177.8	9.2	0	0	110.4	Q56 P57 L58 A62 K63 V64	Q56-Q60 HydrophobicContact CG-CB 3.76Å; Q56-Q60 PolarHBondContact NE2-O 3.42Å; P57-Q60 PolarHBondContact O-N 3.18Å; L58-Q60 VanDerWaalsContact C-N 3.3Å; L58-Q60 PolarHBondContact O-N 3.33Å; Q60-A62 VanDerWaalsContact C-N 3.34Å; Q60-K63 PolarHBondContact O-N 3.32Å; Q60-V64 WeakPolarHBondContact O-CG2 3.34Å; Q60-V64 PolarHBondContact O-N 2.99Å
61	G	96.6	Very high	92.9	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-61.5	-43.3	175.3	0	0	0	0	0	111.7	P57 L58 K63 V64 I65	P57-G61 PolarHBondContact O-N 3.22Å; L58-G61 PolarHBondContact O-N 3.24Å; G61-K63 PolarHBondContact O-N 3.47Å; G61-V64 PolarHBondContact O-N 2.75Å; G61-I65 WeakPolarHBondContact O-CG1 3.48Å; G61-I65 PolarHBondContact O-N 3.41Å; G61-I65 VanDerWaalsContact O-N 3.09Å
62	A	96.8	Very high	92.1	Very high	2 Å²	2	47.9 Å²	47.9	2%	0.017	23%	0.232	C	C	.	.	H	α-helix	trans	-58.2	-47.9	176.8	0	0	0	0	0	111.6	L58 Q60 V64 I65 E66 A305 T324 V332	L58-A62 WeakPolarHBondContact O-CB 3.44Å; L58-A62 PolarHBondContact O-N 3.39Å; Q60-A62 VanDerWaalsContact C-N 3.34Å; A62-V64 VanDerWaalsContact C-N 3.29Å; A62-V64 PolarHBondContact O-N 3.04Å; A62-I65 PolarHBondContact O-N 2.98Å; A62-E66 WeakPolarHBondContact O-CB 3.33Å; A62-E66 PolarHBondContact O-N 3.45Å; A62-A305 HydrophobicContact CB-CB 3.66Å; A62-T324 HydrophobicContact CB-CG2 4Å; A62-V332 HydrophobicContact CB-CG1 4.38Å
63	K	93.3	Very high	91.3	Very high	125 Å²	125	45.9 Å²	45.9	54%	0.543	23%	0.226	S	C	.	.	H	α-helix	trans	-57.8	-38.5	176	-75.2	174.4	-177.4	-176.7	0	113.1	E59 Q60 G61 K67	E59-K63 VanDerWaalsContact O-CG 3.3Å; E59-K63 WeakPolarHBondContact O-CG 3.17Å; E59-K63 PolarHBondContact O-N 3.44Å; E59-K63 VanDerWaalsContact O-N 3.16Å; Q60-K63 PolarHBondContact O-N 3.32Å; G61-K63 PolarHBondContact O-N 3.47Å; K63-K67 WeakPolarHBondContact O-CB 3.33Å; K63-K67 VanDerWaalsContact O-CG 3.31Å; K63-K67 WeakPolarHBondContact O-CG 3.29Å; K63-K67 PolarHBondContact O-N 2.86Å
64	V	92.2	Very high	90.2	Very high	15 Å²	15	49.1 Å²	49.1	9%	0.091	24%	0.243	C	C	.	.	H	α-helix	trans	-65.7	-46.2	177.4	170.7	0	0	0	0	110.8	P43 I48 Q60 G61 A62 I68	P43-V64 HydrophobicContact CG-CG1 4.08Å; I48-V64 HydrophobicContact CD1-CG1 3.34Å; I48-V64 HydrophobicContact CG1-CG1 3.93Å; Q60-V64 WeakPolarHBondContact O-CG2 3.34Å; Q60-V64 PolarHBondContact O-N 2.99Å; G61-V64 PolarHBondContact O-N 2.75Å; A62-V64 VanDerWaalsContact C-N 3.29Å; A62-V64 PolarHBondContact O-N 3.04Å; V64-I68 PolarHBondContact O-N 2.99Å
65	I	93.1	Very high	88.9	Confident	5 Å²	5	53.8 Å²	53.8	3%	0.026	26%	0.263	C	S	.	.	H	α-helix	trans	-63.3	-44.3	177.6	-62.8	-65.7	0	0	0	111.2	L53 G61 A62 I68 Y69 F207 A305 M306	L53-I65 HydrophobicContact CD1-CD1 3.99Å; L53-I65 HydrophobicContact CD2-CD1 4.11Å; L53-I65 HydrophobicContact CD2-CG1 4.33Å; G61-I65 WeakPolarHBondContact O-CG1 3.48Å; G61-I65 PolarHBondContact O-N 3.41Å; G61-I65 VanDerWaalsContact O-N 3.09Å; A62-I65 PolarHBondContact O-N 2.98Å; I65-I68 PolarHBondContact O-N 3.22Å; I65-Y69 WeakPolarHBondContact O-CB 3.25Å; I65-Y69 PolarHBondContact O-N 3.23Å; I65-F207 HydrophobicContact CD1-CE1 4.31Å; I65-F207 HydrophobicContact CD1-CE2 3.56Å; I65-F207 HydrophobicContact CD1-CZ 3.31Å; I65-A305 WeakPolarHBondContact CG2-O 3.41Å; I65-M306 HydrophobicContact CD1-CG 4.38Å; I65-M306 HydrophobicContact CG1-CG 4.13Å
66	E	89.6	Confident	87.6	Confident	85 Å²	85	52.8 Å²	52.8	40%	0.397	25%	0.254	S	S	.	.	H	α-helix	trans	-61.9	-45.5	-179.4	-175.3	178.5	-155.5	0	0	112	A62 I68 Y69 H70	A62-E66 WeakPolarHBondContact O-CB 3.33Å; A62-E66 PolarHBondContact O-N 3.45Å; E66-I68 VanDerWaalsContact C-N 3.34Å; E66-I68 PolarHBondContact O-N 3.3Å; E66-Y69 PolarHBondContact O-N 3.11Å; E66-H70 WeakPolarHBondContact CG-CE1 3.45Å; E66-H70 PolarHBondContact O-N 3.44Å; E66-H70 PolarHBondContact O-ND1 2.96Å; E66-H70 IonicContact OE1-CE1 3.31Å; E66-H70 PolarHBondContact OE1-CE1 2.83Å
67	K	87	Confident	86.5	Confident	60 Å²	60	56.4 Å²	56.4	26%	0.261	27%	0.274	S	S	.	.	H	α-helix	trans	-56.9	-47.5	176.3	-77.3	-179.1	178.7	-163.7	0	111.6	L34 V42 K63 V71	L34-K67 HydrophobicContact CD2-CD 4.46Å; L34-K67 HydrophobicContact CD2-CG 4.49Å; V42-K67 HydrophobicContact CG2-CB 4.45Å; V42-K67 HydrophobicContact CG2-CD 4.48Å; K63-K67 WeakPolarHBondContact O-CB 3.33Å; K63-K67 VanDerWaalsContact O-CG 3.31Å; K63-K67 WeakPolarHBondContact O-CG 3.29Å; K63-K67 PolarHBondContact O-N 2.86Å; K67-V71 WeakPolarHBondContact O-CB 3.24Å; K67-V71 VanDerWaalsContact O-CG2 3.27Å; K67-V71 WeakPolarHBondContact O-CG2 3.13Å; K67-V71 PolarHBondContact O-N 3.38Å
68	I	86.8	Confident	85.7	Confident	10 Å²	10	54.4 Å²	54.4	5%	0.051	26%	0.259	C	S	.	.	H	α-helix	trans	-68.4	-40.5	179.2	-72.6	-169.6	0	0	0	112.1	V42 L45 I48 V64 I65 E66 H70 V71 G72 L78 L278	V42-I68 HydrophobicContact CG1-CG1 4.13Å; L45-I68 HydrophobicContact CD2-CD1 4.06Å; L45-I68 HydrophobicContact CD2-CG2 3.82Å; I48-I68 HydrophobicContact CD1-CD1 3.11Å; I48-I68 HydrophobicContact CD1-CG1 4.22Å; I48-I68 HydrophobicContact CG1-CD1 4.08Å; V64-I68 PolarHBondContact O-N 2.99Å; I65-I68 PolarHBondContact O-N 3.22Å; E66-I68 VanDerWaalsContact C-N 3.34Å; E66-I68 PolarHBondContact O-N 3.3Å; I68-H70 PolarHBondContact O-N 2.89Å; I68-V71 PolarHBondContact O-N 3.36Å; I68-G72 PolarHBondContact O-N 3.41Å; I68-L78 HydrophobicContact CG2-CD1 4.49Å; I68-L278 HydrophobicContact CG2-CD1 4.23Å; I68-L278 HydrophobicContact CG2-CD2 4.37Å
69	Y	87.8	Confident	85.1	Confident	33 Å²	33	57.4 Å²	57.4	13%	0.129	28%	0.279	C	S	.	.	H	α-helix	trans	-57	-52.9	176.3	177.4	-110.4	0	0	0	110.6	I65 E66 V71 G72 Q73 K276 L278	I65-Y69 WeakPolarHBondContact O-CB 3.25Å; I65-Y69 PolarHBondContact O-N 3.23Å; E66-Y69 PolarHBondContact O-N 3.11Å; Y69-V71 PolarHBondContact O-N 3.25Å; Y69-G72 PolarHBondContact O-N 3.44Å; Y69-Q73 HydrophobicContact CD1-CG 4.43Å; Y69-Q73 HydrophobicContact CD2-CG 4.05Å; Y69-Q73 HydrophobicContact CE1-CG 4.1Å; Y69-Q73 HydrophobicContact CE2-CG 3.72Å; Y69-Q73 HydrophobicContact CG-CG 4.42Å; Y69-Q73 VanDerWaalsContact O-CG 3.28Å; Y69-Q73 WeakPolarHBondContact O-CG 3.24Å; Y69-Q73 PolarHBondContact O-N 3.07Å; Y69-K276 HydrophobicContact CD1-CD 3.95Å; Y69-K276 HydrophobicContact CD2-CB 3.84Å; Y69-K276 HydrophobicContact CD2-CD 4.29Å; Y69-K276 HydrophobicContact CE1-CD 4.36Å; Y69-K276 HydrophobicContact CE2-CB 3.98Å; Y69-K276 HydrophobicContact CG-CB 4.3Å; Y69-K276 HydrophobicContact CG-CD 3.9Å; Y69-L278 HydrophobicContact CD2-CD2 3.84Å; Y69-L278 HydrophobicContact CG-CD2 4.28Å
70	H	82.6	Confident	84.8	Confident	58 Å²	58	53.7 Å²	53.7	27%	0.269	26%	0.263	S	S	.	.	H	α-helix	trans	-63.3	-44.4	-179.3	-67.7	150.5	0	0	0	113.1	W33 E66 I68 G72 Q73 I74	W33-H70 HydrophobicContact CH2-CB 3.31Å; W33-H70 AromaticContact CH2-CG 3.83Å; W33-H70 AromaticContact CH2-ND1 3.73Å; W33-H70 HydrophobicContact CZ2-CB 3.74Å; W33-H70 HydrophobicContact CZ3-CB 4.26Å; W33-H70 AromaticContact CZ3-ND1 3.86Å; E66-H70 WeakPolarHBondContact CG-CE1 3.45Å; E66-H70 PolarHBondContact O-N 3.44Å; E66-H70 PolarHBondContact O-ND1 2.96Å; E66-H70 IonicContact OE1-CE1 3.31Å; E66-H70 PolarHBondContact OE1-CE1 2.83Å; I68-H70 PolarHBondContact O-N 2.89Å; H70-G72 VanDerWaalsContact C-N 3.34Å; H70-G72 PolarHBondContact O-N 3.12Å; H70-Q73 PolarHBondContact O-N 3.21Å; H70-I74 WeakPolarHBondContact O-CD1 3.25Å; H70-I74 VanDerWaalsContact O-CG1 3.26Å; H70-I74 WeakPolarHBondContact O-CG1 3.48Å; H70-I74 PolarHBondContact O-N 3.39Å
71	V	78.9	Confident	84.7	Confident	33 Å²	33	52.6 Å²	52.6	20%	0.2	27%	0.268	C	S	.	.	H	α-helix	trans	-61.7	-44.3	176.7	171.5	0	0	0	0	110.9	L39 V42 K67 I68 Y69 Q73 I74 K75	L39-V71 HydrophobicContact CD1-CG2 3.91Å; V42-V71 HydrophobicContact CG2-CG2 4.44Å; K67-V71 WeakPolarHBondContact O-CB 3.24Å; K67-V71 VanDerWaalsContact O-CG2 3.27Å; K67-V71 WeakPolarHBondContact O-CG2 3.13Å; K67-V71 PolarHBondContact O-N 3.38Å; I68-V71 PolarHBondContact O-N 3.36Å; Y69-V71 PolarHBondContact O-N 3.25Å; V71-Q73 PolarHBondContact O-N 2.83Å; V71-I74 PolarHBondContact O-N 3.49Å; V71-K75 PolarHBondContact O-N 3.18Å
72	G	78.8	Confident	84.7	Confident	6 Å²	6	54.1 Å²	54.1	6%	0.062	27%	0.274	C	S	.	.	H	α-helix	trans	-64.2	-36.8	177.8	0	0	0	0	0	113.4	I68 Y69 H70 H76	I68-G72 PolarHBondContact O-N 3.41Å; Y69-G72 PolarHBondContact O-N 3.44Å; H70-G72 VanDerWaalsContact C-N 3.34Å; H70-G72 PolarHBondContact O-N 3.12Å; G72-H76 WeakPolarHBondContact O-CA 3.48Å; G72-H76 PolarHBondContact O-N 2.85Å
73	Q	78.5	Confident	84.7	Confident	45 Å²	45	57 Å²	57	21%	0.21	29%	0.292	C	S	.	.	H	α-helix	trans	-72.4	-35.1	177.2	-67.4	-42.1	-83.8	0	0	112.8	Y69 H70 V71 H76 L278	Y69-Q73 HydrophobicContact CD1-CG 4.43Å; Y69-Q73 HydrophobicContact CD2-CG 4.05Å; Y69-Q73 HydrophobicContact CE1-CG 4.1Å; Y69-Q73 HydrophobicContact CE2-CG 3.72Å; Y69-Q73 HydrophobicContact CG-CG 4.42Å; Y69-Q73 VanDerWaalsContact O-CG 3.28Å; Y69-Q73 WeakPolarHBondContact O-CG 3.24Å; Y69-Q73 PolarHBondContact O-N 3.07Å; H70-Q73 PolarHBondContact O-N 3.21Å; V71-Q73 PolarHBondContact O-N 2.83Å; Q73-H76 PolarHBondContact O-CE1 3.3Å; Q73-H76 VanDerWaalsContact O-CE1 3.31Å; Q73-H76 PolarHBondContact O-ND1 3.31Å; Q73-L278 PolarHBondContact NE2-O 2.89Å
74	I	72.6	Confident	85	Confident	69 Å²	69	51.4 Å²	51.4	35%	0.354	27%	0.268	S	S	.	.	H	α-helix	trans	-74.1	-41.9	-174.1	-73.5	166.3	0	0	0	112.1	P30 W33 H70 V71	P30-I74 HydrophobicContact CB-CD1 4.46Å; P30-I74 HydrophobicContact CG-CB 4.48Å; P30-I74 HydrophobicContact CG-CD1 3.59Å; P30-I74 HydrophobicContact CG-CG2 3.95Å; W33-I74 HydrophobicContact CZ2-CD1 3.84Å; H70-I74 WeakPolarHBondContact O-CD1 3.25Å; H70-I74 VanDerWaalsContact O-CG1 3.26Å; H70-I74 WeakPolarHBondContact O-CG1 3.48Å; H70-I74 PolarHBondContact O-N 3.39Å; V71-I74 PolarHBondContact O-N 3.49Å
75	K	68.2	Low	85.2	Confident	131 Å²	131	53.1 Å²	53.1	57%	0.57	28%	0.28	S	S	*	.	H	α-helix	trans	-90.5	-13.4	-178.7	-64.5	-169.9	173	-175.4	0	113.6	V71 D77	V71-K75 PolarHBondContact O-N 3.18Å; K75-D77 HydrophobicContact CB-CB 4.17Å; K75-D77 WeakPolarHBondContact CB-OD1 3.45Å; K75-D77 WeakPolarHBondContact CB-OD2 3.28Å; K75-D77 WeakPolarHBondContact CD-OD2 3.48Å; K75-D77 PolarHBondContact O-N 3.28Å
76	H	69.1	Low	85.5	Confident	103 Å²	103	55.2 Å²	55.2	48%	0.477	29%	0.294	S	S	.	.			trans	54.8	24.3	-168.6	-55.7	-64.8	0	0	0	113.4	G72 Q73 L78	G72-H76 WeakPolarHBondContact O-CA 3.48Å; G72-H76 PolarHBondContact O-N 2.85Å; Q73-H76 PolarHBondContact O-CE1 3.3Å; Q73-H76 VanDerWaalsContact O-CE1 3.31Å; Q73-H76 PolarHBondContact O-ND1 3.31Å; H76-L78 VanDerWaalsContact C-N 3.27Å; H76-L78 PolarHBondContact O-N 3.32Å
77	D	73.4	Confident	85.9	Confident	104 Å²	104	53.7 Å²	53.7	56%	0.556	29%	0.293	S	S	*	.			trans	-72.2	-20.6	-174.6	-71.4	-15.5	0	0	0	112.9	K75 T79	K75-D77 HydrophobicContact CB-CB 4.17Å; K75-D77 WeakPolarHBondContact CB-OD1 3.45Å; K75-D77 WeakPolarHBondContact CB-OD2 3.28Å; K75-D77 WeakPolarHBondContact CD-OD2 3.48Å; K75-D77 PolarHBondContact O-N 3.28Å; D77-T79 PolarHBondContact O-N 3.43Å
78	L	81.8	Confident	86.4	Confident	30 Å²	30	56.1 Å²	56.1	16%	0.157	31%	0.309	C	S	.	.			trans	-92.8	97.8	-179.5	-60.1	-174.7	0	0	0	110.5	L45 I68 H76 M212 L278 S279 K280	L45-L78 HydrophobicContact CD1-CD1 4.11Å; L45-L78 HydrophobicContact CD1-CD2 3.57Å; I68-L78 HydrophobicContact CG2-CD1 4.49Å; H76-L78 VanDerWaalsContact C-N 3.27Å; H76-L78 PolarHBondContact O-N 3.32Å; L78-M212 HydrophobicContact CB-SD 4.21Å; L78-M212 HydrophobicContact CD2-CE 4.45Å; L78-M212 HydrophobicContact CD2-SD 4.01Å; L78-L278 HydrophobicContact CD1-CB 4.25Å; L78-S279 WeakPolarHBondContact O-CA 3.28Å; L78-S279 WeakPolarHBondContact O-CB 3.46Å; L78-K280 PolarHBondContact O-N 3.02Å
79	T	86.1	Confident	87	Confident	84 Å²	84	55.6 Å²	55.6	52%	0.515	31%	0.307	S	S	.	.			trans	-96.1	135.7	173.9	52	0	0	0	0	111.2	D77 S81 M212	D77-T79 PolarHBondContact O-N 3.43Å; T79-S81 PolarHBondContact O-N 3.29Å; T79-M212 WeakPolarHBondContact O-CE 3.43Å
80	P	91.5	Very high	87.5	Confident	20 Å²	20	55.3 Å²	55.3	13%	0.13	31%	0.308	C	S	.	.			trans	-59.8	131.8	178.8	-20.2	29.8	0	0	0	111.3	D214 R281	P80-D214 HydrophobicContact CB-CB 3.66Å; P80-R281 HydrophobicContact CG-CG 4.47Å
81	S	93.6	Very high	88.2	Confident	87 Å²	87	52.5 Å²	52.5	61%	0.608	30%	0.296	S	S	*	.			trans	-144.4	0.8	-172.2	50.9	0	0	0	0	114	T79 M212	T79-S81 PolarHBondContact O-N 3.29Å; S81-M212 PolarHBondContact N-O 3.41Å
82	F	96.9	Very high	89.2	Confident	32 Å²	32	53.3 Å²	53.3	14%	0.14	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-119.4	122.7	178.2	179.3	-109.8	0	0	0	111.2	P84 L204 R209 M212 L213 D214	F82-P84 HydrophobicContact CE1-CB 4.41Å; F82-P84 HydrophobicContact CE1-CG 4.48Å; F82-P84 HydrophobicContact CZ-CB 4.08Å; F82-L204 HydrophobicContact CD1-CD2 4.28Å; F82-L204 HydrophobicContact CE1-CD2 3.85Å; F82-R209 HydrophobicContact CD1-CB 3.83Å; F82-R209 HydrophobicContact CD1-CG 4.13Å; F82-R209 WeakPolarHBondContact CD1-O 3.26Å; F82-R209 HydrophobicContact CD2-CG 3.97Å; F82-R209 HydrophobicContact CE1-CB 3.98Å; F82-R209 HydrophobicContact CE1-CG 4.22Å; F82-R209 HydrophobicContact CE2-CG 4.06Å; F82-R209 HydrophobicContact CG-CB 4.15Å; F82-R209 HydrophobicContact CG-CG 4.01Å; F82-R209 HydrophobicContact CZ-CB 4.41Å; F82-R209 HydrophobicContact CZ-CG 4.19Å; F82-M212 PolarHBondContact N-O 3.22Å; F82-L213 HydrophobicContact CD1-CD1 3.8Å; F82-L213 HydrophobicContact CE1-CD1 4.17Å; F82-L213 WeakPolarHBondContact O-CA 3.49Å; F82-D214 PolarHBondContact O-N 2.97Å
83	V	97.8	Very high	90.1	Very high	63 Å²	63	53.1 Å²	53.1	38%	0.382	29%	0.293	S	S	.	.			trans	-129.5	124.4	166.2	-178.4	0	0	0	0	106.7	D214 N217	V83-D214 HydrophobicContact CG2-CB 3.68Å; V83-N217 HydrophobicContact CG2-CB 3.73Å
84	P	97.8	Very high	91	Very high	7 Å²	7	51.2 Å²	51.2	5%	0.045	28%	0.284	C	S	.	.			trans	-70.7	144.9	174.6	27	-29.5	0	0	0	110.9	F82 V89 L200 T203 T218 M221	F82-P84 HydrophobicContact CE1-CB 4.41Å; F82-P84 HydrophobicContact CE1-CG 4.48Å; F82-P84 HydrophobicContact CZ-CB 4.08Å; P84-V89 HydrophobicContact CB-CG2 4.03Å; P84-V89 HydrophobicContact CG-CG2 4.16Å; P84-L200 HydrophobicContact CG-CD1 3.5Å; P84-L200 VanDerWaalsContact CG-CD1 3.5Å; P84-T203 HydrophobicContact CB-CG2 3.89Å; P84-T218 HydrophobicContact CG-CG2 4.47Å; P84-M221 HydrophobicContact CG-CE 4.36Å
85	S	97.9	Very high	91.8	Very high	50 Å²	50	51.1 Å²	51.1	35%	0.35	28%	0.281	S	S	.	.			trans	-66.4	138.6	169.4	175.9	0	0	0	0	110.5	S87 N88 V89	S85-S87 PolarHBondContact O-N 2.66Å; S85-S87 PolarHBondContact OG-N 2.89Å; S85-S87 PolarHBondContact OG-OG 3.17Å; S85-N88 WeakPolarHBondContact O-CB 3.27Å; S85-N88 PolarHBondContact O-N 2.86Å; S85-V89 PolarHBondContact O-N 3.36Å
86	P	98.1	Very high	92.5	Very high	49 Å²	49	47.8 Å²	47.8	32%	0.318	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-51.8	-39	174	-25.3	30.2	0	0	0	114	N88 V89 L105 N106 M221	P86-N88 PolarHBondContact O-N 3.23Å; P86-V89 PolarHBondContact O-N 2.97Å; P86-L105 HydrophobicContact CB-CB 4.42Å; P86-L105 HydrophobicContact CB-CD2 4.32Å; P86-L105 WeakPolarHBondContact O-CB 3.45Å; P86-L105 PolarHBondContact O-N 3.22Å; P86-N106 HydrophobicContact CB-CB 3.98Å; P86-M221 HydrophobicContact CB-SD 4.25Å; P86-M221 HydrophobicContact CG-CG 3.9Å; P86-M221 HydrophobicContact CG-SD 3.6Å
87	S	98	Very high	93.2	Very high	53 Å²	53	47.9 Å²	47.9	37%	0.371	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-65.8	-18.9	178.7	56.1	0	0	0	0	114	S85 K104	S85-S87 PolarHBondContact O-N 2.66Å; S85-S87 PolarHBondContact OG-N 2.89Å; S85-S87 PolarHBondContact OG-OG 3.17Å; S87-K104 WeakPolarHBondContact O-CD 3.44Å
88	N	98	Very high	93.8	Very high	111 Å²	111	44.4 Å²	44.4	59%	0.594	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-95.7	-9.2	-179.7	-71	-22.4	0	0	0	113.3	S85 P86 P90	S85-N88 WeakPolarHBondContact O-CB 3.27Å; S85-N88 PolarHBondContact O-N 2.86Å; P86-N88 PolarHBondContact O-N 3.23Å; N88-P90 WeakPolarHBondContact O-CD 3.34Å
89	V	98.7	Very high	94.2	Very high	0 Å²	0	48 Å²	48	0%	0	28%	0.282	C	S	.	.	S	Bend	trans	-90.3	112	179.1	179.5	0	0	0	0	108.9	P84 S85 P86 K104 L105 I198 L200 T203	P84-V89 HydrophobicContact CB-CG2 4.03Å; P84-V89 HydrophobicContact CG-CG2 4.16Å; S85-V89 PolarHBondContact O-N 3.36Å; P86-V89 PolarHBondContact O-N 2.97Å; V89-K104 WeakPolarHBondContact O-CA 3.24Å; V89-L105 HydrophobicContact CB-CB 3.8Å; V89-L105 HydrophobicContact CB-CD2 4.22Å; V89-L105 HydrophobicContact CG1-CB 4.11Å; V89-L105 HydrophobicContact CG1-CD2 4.37Å; V89-L105 HydrophobicContact CG2-CD2 4.31Å; V89-L105 PolarHBondContact O-N 2.82Å; V89-I198 HydrophobicContact CG1-CG2 3.6Å; V89-L200 HydrophobicContact CG2-CD1 4.25Å; V89-T203 HydrophobicContact CG2-CG2 3.85Å
90	P	98.6	Very high	94.6	Very high	26 Å²	26	48.3 Å²	48.3	17%	0.169	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	146.2	174.9	-13.9	30.1	0	0	0	111.3	N88 D199 S202	N88-P90 WeakPolarHBondContact O-CD 3.34Å; P90-D199 HydrophobicContact CB-CB 4.33Å; P90-D199 PolarHBondContact O-N 2.66Å; P90-S202 WeakPolarHBondContact CD-OG 3.32Å
91	V	98.9	Very high	94.9	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	136.7	172.9	-177.8	0	0	0	0	109.3	C103 L105 Y108 I196 I197 I198	V91-C103 PolarHBondContact N-O 2.88Å; V91-C103 PolarHBondContact O-N 3.44Å; V91-L105 HydrophobicContact CG2-CB 4.18Å; V91-L105 HydrophobicContact CG2-CD1 4.37Å; V91-Y108 HydrophobicContact CB-CG 4.44Å; V91-Y108 HydrophobicContact CG1-CD2 4.16Å; V91-Y108 HydrophobicContact CG1-CG 3.93Å; V91-Y108 HydrophobicContact CG2-CD1 4.34Å; V91-Y108 HydrophobicContact CG2-CG 4.29Å; V91-I196 HydrophobicContact CG1-CG2 3.47Å; V91-I196 VanDerWaalsContact CG1-CG2 3.47Å; V91-I197 CarbonylContact C-O 3.59Å; V91-I197 VanDerWaalsContact CA-O 3.29Å; V91-I197 WeakPolarHBondContact CA-O 3.43Å; V91-I198 HydrophobicContact CG1-CG1 4.25Å; V91-I198 HydrophobicContact CG2-CB 4.46Å; V91-I198 HydrophobicContact CG2-CG1 4.07Å; V91-I198 HydrophobicContact CG2-CG2 4.36Å
92	W	98.4	Very high	95.1	Very high	49 Å²	49	51.3 Å²	51.3	19%	0.186	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	119.7	173.3	-54.5	-34.8	0	0	0	110.1	I94 V101 M141 I196 I197	W92-I94 HydrophobicContact CB-CD1 3.88Å; W92-V101 WeakPolarHBondContact CA-O 3.3Å; W92-M141 HydrophobicContact CZ3-CG 4.4Å; W92-I196 CarbonylContact O-C 3.49Å; W92-I196 WeakPolarHBondContact O-CA 3.25Å; W92-I197 HydrophobicContact CB-CB 4.29Å; W92-I197 HydrophobicContact CE3-CB 4.03Å; W92-I197 HydrophobicContact CE3-CG1 4.41Å; W92-I197 HydrophobicContact CE3-CG2 3.98Å; W92-I197 HydrophobicContact CZ3-CG2 4.36Å; W92-I197 PolarHBondContact N-O 3.37Å; W92-I197 PolarHBondContact O-N 3.09Å
93	I	98.2	Very high	95.2	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.015	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	118.3	167.5	-57.8	150.4	0	0	0	106.8	V101 T111 A112 Q115 I196	I93-V101 HydrophobicContact CB-CB 4.27Å; I93-V101 PolarHBondContact N-O 2.84Å; I93-V101 PolarHBondContact O-N 3.23Å; I93-T111 HydrophobicContact CD1-CG2 3.73Å; I93-A112 HydrophobicContact CD1-CB 3.82Å; I93-A112 HydrophobicContact CG1-CB 4.31Å; I93-Q115 HydrophobicContact CG2-CG 4.32Å; I93-I196 HydrophobicContact CG1-CG1 4.32Å
94	I	96.6	Very high	95.2	Very high	4 Å²	4	51.6 Å²	51.6	2%	0.021	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	112.9	-176.1	-48	-58.8	0	0	0	108.3	W92 K100 I145 V149 L195 I197	W92-I94 HydrophobicContact CB-CD1 3.88Å; I94-K100 HydrophobicContact CD1-CB 4.43Å; I94-K100 HydrophobicContact CD1-CD 4.15Å; I94-K100 HydrophobicContact CD1-CG 3.76Å; I94-I145 HydrophobicContact CD1-CD1 4.21Å; I94-I145 HydrophobicContact CD1-CG1 4.49Å; I94-I145 HydrophobicContact CG1-CG1 4.46Å; I94-I145 HydrophobicContact CG2-CG2 3.99Å; I94-V149 HydrophobicContact CG2-CG2 3.73Å; I94-L195 HydrophobicContact CB-CB 4.11Å; I94-L195 HydrophobicContact CB-CD2 4.12Å; I94-L195 HydrophobicContact CB-CG 4.23Å; I94-L195 HydrophobicContact CG1-CB 4.41Å; I94-L195 HydrophobicContact CG1-CD2 3.88Å; I94-L195 HydrophobicContact CG1-CG 4Å; I94-L195 HydrophobicContact CG2-CD2 4.42Å; I94-L195 PolarHBondContact N-O 3.39Å; I94-I197 HydrophobicContact CD1-CG1 4.38Å; I94-I197 HydrophobicContact CG1-CG1 4.12Å
95	K	89.3	Confident	95.3	Very high	67 Å²	67	51.4 Å²	51.4	29%	0.291	28%	0.278	S	S	.	.			trans	-73.2	159.1	174.9	-61.9	-171.2	-175.7	174.8	0	111	N97 G98 Q99 V101	K95-N97 WeakPolarHBondContact CB-OD1 3.31Å; K95-N97 PolarHBondContact O-N 2.69Å; K95-N97 VanDerWaalsContact O-N 3.15Å; K95-G98 WeakPolarHBondContact O-CA 3.47Å; K95-G98 PolarHBondContact O-N 2.88Å; K95-Q99 HydrophobicContact CB-CB 4.39Å; K95-Q99 HydrophobicContact CD-CB 4.26Å; K95-Q99 PolarHBondContact N-O 3.38Å; K95-V101 HydrophobicContact CD-CG2 4.46Å; K95-V101 VanDerWaalsContact CE-CG2 3.4Å; K95-V101 HydrophobicContact CG-CG2 4.49Å
96	S	83.9	Confident	95.3	Very high	62 Å²	62	53.7 Å²	53.7	43%	0.434	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-29.8	177	56.8	0	0	0	0	113.8	G98	S96-G98 VanDerWaalsContact C-N 3.26Å; S96-G98 PolarHBondContact O-N 2.94Å
97	N	83.4	Confident	95.3	Very high	105 Å²	105	54.7 Å²	54.7	56%	0.561	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	2.3	174.7	69.4	1.7	0	0	0	114.2	K95 Q99	K95-N97 WeakPolarHBondContact CB-OD1 3.31Å; K95-N97 PolarHBondContact O-N 2.69Å; K95-N97 VanDerWaalsContact O-N 3.15Å; N97-Q99 VanDerWaalsContact C-N 3.35Å; N97-Q99 WeakPolarHBondContact OD1-CB 3.25Å; N97-Q99 PolarHBondContact OD1-N 2.68Å
98	G	86	Confident	95.3	Very high	30 Å²	30	52.1 Å²	52.1	31%	0.309	27%	0.271	S	S	.	.	S	Bend	trans	84.6	-2.9	-178.4	0	0	0	0	0	115.5	K95 S96	K95-G98 WeakPolarHBondContact O-CA 3.47Å; K95-G98 PolarHBondContact O-N 2.88Å; S96-G98 VanDerWaalsContact C-N 3.26Å; S96-G98 PolarHBondContact O-N 2.94Å
99	Q	90.5	Very high	95.3	Very high	105 Å²	105	47.3 Å²	47.3	49%	0.491	25%	0.246	S	C	.	.			trans	-64.3	137.3	172.9	-174	-178.4	43.5	0	0	110.3	K95 N97	K95-Q99 HydrophobicContact CB-CB 4.39Å; K95-Q99 HydrophobicContact CD-CB 4.26Å; K95-Q99 PolarHBondContact N-O 3.38Å; N97-Q99 VanDerWaalsContact C-N 3.35Å; N97-Q99 WeakPolarHBondContact OD1-CB 3.25Å; N97-Q99 PolarHBondContact OD1-N 2.68Å
100	K	95	Very high	95.3	Very high	92 Å²	92	52.9 Å²	52.9	40%	0.4	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	130.9	174.8	-55.6	-171.8	-179.3	179.1	0	110.3	I94	I94-K100 HydrophobicContact CD1-CB 4.43Å; I94-K100 HydrophobicContact CD1-CD 4.15Å; I94-K100 HydrophobicContact CD1-CG 3.76Å
101	V	97.6	Very high	95.3	Very high	30 Å²	30	53.2 Å²	53.2	18%	0.182	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	114.4	165	-174.5	0	0	0	0	107.5	W92 I93 K95 T111	W92-V101 WeakPolarHBondContact CA-O 3.3Å; I93-V101 HydrophobicContact CB-CB 4.27Å; I93-V101 PolarHBondContact N-O 2.84Å; I93-V101 PolarHBondContact O-N 3.23Å; K95-V101 HydrophobicContact CD-CG2 4.46Å; K95-V101 VanDerWaalsContact CE-CG2 3.4Å; K95-V101 HydrophobicContact CG-CG2 4.49Å; V101-T111 HydrophobicContact CG1-CG2 3.66Å
102	E	97.7	Very high	95.2	Very high	140 Å²	140	53.2 Å²	53.2	65%	0.654	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.1	135	-178.5	-54.6	-161.6	164	0	0	111.3
103	C	98.5	Very high	95.1	Very high	15 Å²	15	54.2 Å²	54.2	10%	0.101	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	-168.5	176.1	52.9	0	0	0	0	109.6	V91 Y108 T111	V91-C103 PolarHBondContact N-O 2.88Å; V91-C103 PolarHBondContact O-N 3.44Å; C103-Y108 WeakPolarHBondContact SG-CB 3.26Å; C103-T111 HydrophobicContact CB-CG2 4.08Å
104	K	98.7	Very high	95	Very high	86 Å²	86	57.7 Å²	57.7	37%	0.374	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	160.3	179.2	-62.7	-58.9	-173.1	-174.8	0	110.4	S87 V89 N106 N107 Y108	S87-K104 WeakPolarHBondContact O-CD 3.44Å; V89-K104 WeakPolarHBondContact O-CA 3.24Å; K104-N106 WeakPolarHBondContact CB-OD1 3.31Å; K104-N106 PolarHBondContact O-N 3.36Å; K104-N107 PolarHBondContact N-OD1 3.43Å; K104-N107 PolarHBondContact O-N 3.24Å; K104-N107 PolarHBondContact O-OD1 2.74Å; K104-Y108 WeakPolarHBondContact O-CB 3.25Å; K104-Y108 PolarHBondContact O-N 3.05Å
105	L	98.8	Very high	94.9	Very high	2 Å²	2	59.2 Å²	59.2	1%	0.01	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-31.6	-177.4	-176.5	70.5	0	0	0	112.7	P86 V89 V91 N107 Y108 I198 M221 I222 T225	P86-L105 HydrophobicContact CB-CB 4.42Å; P86-L105 HydrophobicContact CB-CD2 4.32Å; P86-L105 WeakPolarHBondContact O-CB 3.45Å; P86-L105 PolarHBondContact O-N 3.22Å; V89-L105 HydrophobicContact CB-CB 3.8Å; V89-L105 HydrophobicContact CB-CD2 4.22Å; V89-L105 HydrophobicContact CG1-CB 4.11Å; V89-L105 HydrophobicContact CG1-CD2 4.37Å; V89-L105 HydrophobicContact CG2-CD2 4.31Å; V89-L105 PolarHBondContact O-N 2.82Å; V91-L105 HydrophobicContact CG2-CB 4.18Å; V91-L105 HydrophobicContact CG2-CD1 4.37Å; L105-N107 VanDerWaalsContact C-N 3.26Å; L105-N107 PolarHBondContact O-N 3.05Å; L105-Y108 HydrophobicContact CD1-CD1 3.91Å; L105-Y108 HydrophobicContact CD1-CE1 3.7Å; L105-Y108 WeakPolarHBondContact O-CD1 3.45Å; L105-I198 HydrophobicContact CD1-CD1 3.86Å; L105-I198 HydrophobicContact CD1-CG1 4.42Å; L105-I198 HydrophobicContact CD1-CG2 4.02Å; L105-M221 HydrophobicContact CD2-CE 3.52Å; L105-M221 HydrophobicContact CD2-CG 3.91Å; L105-M221 HydrophobicContact CD2-SD 3.69Å; L105-I222 HydrophobicContact CD1-CD1 3.83Å; L105-I222 HydrophobicContact CD2-CD1 3.73Å; L105-I222 HydrophobicContact CG-CD1 4.46Å; L105-T225 HydrophobicContact CD1-CG2 4.02Å; L105-T225 HydrophobicContact CG-CG2 4.14Å
106	N	97.9	Very high	95	Very high	99 Å²	99	62.1 Å²	62.1	53%	0.529	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-11.3	177.5	67	-44.5	0	0	0	114.8	P86 K104	P86-N106 HydrophobicContact CB-CB 3.98Å; K104-N106 WeakPolarHBondContact CB-OD1 3.31Å; K104-N106 PolarHBondContact O-N 3.36Å
107	N	98	Very high	95.3	Very high	69 Å²	69	60.9 Å²	60.9	37%	0.369	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.3	3.2	-178.8	71.8	-5.8	0	0	0	115	K104 L105 V109 E110 T111	K104-N107 PolarHBondContact N-OD1 3.43Å; K104-N107 PolarHBondContact O-N 3.24Å; K104-N107 PolarHBondContact O-OD1 2.74Å; L105-N107 VanDerWaalsContact C-N 3.26Å; L105-N107 PolarHBondContact O-N 3.05Å; N107-V109 PolarHBondContact O-N 2.92Å; N107-E110 PolarHBondContact O-N 3.46Å; N107-T111 PolarHBondContact O-N 3.44Å; N107-T111 PolarHBondContact O-OG1 2.85Å
108	Y	98.5	Very high	95.8	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-63.2	-32.3	-176.4	88.2	-87.5	0	0	0	112.5	V91 C103 K104 L105 E110 T111 A112 I196 I198 T225	V91-Y108 HydrophobicContact CB-CG 4.44Å; V91-Y108 HydrophobicContact CG1-CD2 4.16Å; V91-Y108 HydrophobicContact CG1-CG 3.93Å; V91-Y108 HydrophobicContact CG2-CD1 4.34Å; V91-Y108 HydrophobicContact CG2-CG 4.29Å; C103-Y108 WeakPolarHBondContact SG-CB 3.26Å; K104-Y108 WeakPolarHBondContact O-CB 3.25Å; K104-Y108 PolarHBondContact O-N 3.05Å; L105-Y108 HydrophobicContact CD1-CD1 3.91Å; L105-Y108 HydrophobicContact CD1-CE1 3.7Å; L105-Y108 WeakPolarHBondContact O-CD1 3.45Å; Y108-E110 VanDerWaalsContact C-N 3.33Å; Y108-E110 PolarHBondContact O-N 2.88Å; Y108-T111 PolarHBondContact O-N 3.29Å; Y108-T111 VanDerWaalsContact O-N 3.17Å; Y108-A112 WeakPolarHBondContact O-CB 3.28Å; Y108-A112 PolarHBondContact O-N 3.26Å; Y108-I196 HydrophobicContact CD2-CD1 4.04Å; Y108-I196 HydrophobicContact CD2-CG2 4.23Å; Y108-I196 HydrophobicContact CE2-CD1 3.85Å; Y108-I196 HydrophobicContact CE2-CG2 4.37Å; Y108-I198 HydrophobicContact CE1-CD1 4.43Å; Y108-T225 VanDerWaalsContact CE1-CB 3.44Å; Y108-T225 HydrophobicContact CE1-CG2 3.92Å; Y108-T225 WeakPolarHBondContact CE1-OG1 3.27Å; Y108-T225 WeakPolarHBondContact OH-CB 3.38Å; Y108-T225 PolarHBondContact OH-OG1 2.93Å
109	V	98.4	Very high	96.2	Very high	10 Å²	10	55.2 Å²	55.2	6%	0.061	30%	0.302	C	S	.	.	H	α-helix	trans	-60.7	-43.9	179.6	177	0	0	0	0	110.6	N107 K113 D228 L229 K232	N107-V109 PolarHBondContact O-N 2.92Å; V109-K113 WeakPolarHBondContact O-CB 3.36Å; V109-K113 WeakPolarHBondContact O-CG 3.37Å; V109-K113 PolarHBondContact O-N 2.82Å; V109-D228 HydrophobicContact CG1-CB 4.36Å; V109-D228 HydrophobicContact CG2-CB 4.3Å; V109-L229 HydrophobicContact CG1-CB 4.47Å; V109-L229 HydrophobicContact CG1-CD1 3.98Å; V109-L229 HydrophobicContact CG2-CD1 4.45Å; V109-K232 HydrophobicContact CG1-CD 3.87Å
110	E	98.1	Very high	96.4	Very high	116 Å²	116	57.3 Å²	57.3	54%	0.542	31%	0.312	S	S	.	.	H	α-helix	trans	-63.5	-45.2	174.2	-58.8	-61.9	168.6	0	0	111.4	N107 Y108 A112 K113 A114 K232	N107-E110 PolarHBondContact O-N 3.46Å; Y108-E110 VanDerWaalsContact C-N 3.33Å; Y108-E110 PolarHBondContact O-N 2.88Å; E110-A112 VanDerWaalsContact C-N 3.29Å; E110-A112 PolarHBondContact O-N 3.22Å; E110-K113 PolarHBondContact O-N 2.86Å; E110-A114 WeakPolarHBondContact O-CB 3.42Å; E110-A114 PolarHBondContact O-N 2.94Å; E110-K232 IonicContact OE1-NZ 2.74Å; E110-K232 PolarHBondContact OE1-NZ 2.97Å; E110-K232 IonicContact OE2-NZ 2.66Å; E110-K232 PolarHBondContact OE2-NZ 3.41Å
111	T	98.2	Very high	96.2	Very high	33 Å²	33	56.1 Å²	56.1	20%	0.202	31%	0.31	C	S	.	.	H	α-helix	trans	-64.6	-37.4	-177.6	-54.8	0	0	0	0	111.3	I93 V101 C103 N107 Y108 Q115	I93-T111 HydrophobicContact CD1-CG2 3.73Å; V101-T111 HydrophobicContact CG1-CG2 3.66Å; C103-T111 HydrophobicContact CB-CG2 4.08Å; N107-T111 PolarHBondContact O-N 3.44Å; N107-T111 PolarHBondContact O-OG1 2.85Å; Y108-T111 PolarHBondContact O-N 3.29Å; Y108-T111 VanDerWaalsContact O-N 3.17Å; T111-Q115 WeakPolarHBondContact O-CG 3.47Å; T111-Q115 PolarHBondContact O-NE2 3.05Å
112	A	97.5	Very high	96.1	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-69.6	-50.1	177.7	0	0	0	0	0	111.3	I93 Y108 E110 A114 Q115 F118 I196	I93-A112 HydrophobicContact CD1-CB 3.82Å; I93-A112 HydrophobicContact CG1-CB 4.31Å; Y108-A112 WeakPolarHBondContact O-CB 3.28Å; Y108-A112 PolarHBondContact O-N 3.26Å; E110-A112 VanDerWaalsContact C-N 3.29Å; E110-A112 PolarHBondContact O-N 3.22Å; A112-A114 PolarHBondContact O-N 2.91Å; A112-Q115 WeakPolarHBondContact O-CB 3.21Å; A112-Q115 PolarHBondContact O-N 3.33Å; A112-F118 HydrophobicContact CB-CD1 4.13Å; A112-F118 HydrophobicContact CB-CD2 4.05Å; A112-F118 HydrophobicContact CB-CE1 3.84Å; A112-F118 HydrophobicContact CB-CE2 3.75Å; A112-F118 HydrophobicContact CB-CG 4.25Å; A112-F118 HydrophobicContact CB-CZ 3.65Å; A112-F118 WeakPolarHBondContact O-CB 3.42Å; A112-F118 WeakPolarHBondContact O-CG 3.39Å; A112-I196 HydrophobicContact CB-CD1 4.38Å
113	K	96.3	Very high	96.1	Very high	71 Å²	71	50 Å²	50	31%	0.309	28%	0.28	S	S	.	.	H	α-helix	trans	-64	-22.7	177.1	-72.8	-55.5	-49.3	172	0	113.7	V109 E110 Q115 F118 K232 V234	V109-K113 WeakPolarHBondContact O-CB 3.36Å; V109-K113 WeakPolarHBondContact O-CG 3.37Å; V109-K113 PolarHBondContact O-N 2.82Å; E110-K113 PolarHBondContact O-N 2.86Å; K113-Q115 VanDerWaalsContact C-N 3.27Å; K113-F118 HydrophobicContact CD-CD1 3.88Å; K113-F118 HydrophobicContact CD-CE1 4.19Å; K113-F118 PolarHBondContact NZ-O 3.41Å; K113-K232 HydrophobicContact CD-CB 4.17Å; K113-K232 WeakPolarHBondContact CE-O 3.46Å; K113-K232 HydrophobicContact CG-CB 3.97Å; K113-K232 HydrophobicContact CG-CD 3.97Å; K113-V234 HydrophobicContact CD-CG2 3.93Å
114	A	96.1	Very high	96.1	Very high	76 Å²	76	49.3 Å²	49.3	63%	0.628	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-11.2	172	0	0	0	0	0	113.6	E110 A112	E110-A114 WeakPolarHBondContact O-CB 3.42Å; E110-A114 PolarHBondContact O-N 2.94Å; A112-A114 PolarHBondContact O-N 2.91Å
115	Q	94.1	Very high	96.1	Very high	36 Å²	36	45.2 Å²	45.2	17%	0.168	26%	0.257	C	S	.	.	S	Bend	trans	-78.1	135.6	174.2	-55.6	-49	-67.4	0	0	110.4	I93 T111 A112 K113 G117 F118	I93-Q115 HydrophobicContact CG2-CG 4.32Å; T111-Q115 WeakPolarHBondContact O-CG 3.47Å; T111-Q115 PolarHBondContact O-NE2 3.05Å; A112-Q115 WeakPolarHBondContact O-CB 3.21Å; A112-Q115 PolarHBondContact O-N 3.33Å; K113-Q115 VanDerWaalsContact C-N 3.27Å; Q115-G117 PolarHBondContact O-N 2.88Å; Q115-F118 HydrophobicContact CB-CB 4.11Å; Q115-F118 WeakPolarHBondContact O-CB 3.26Å; Q115-F118 PolarHBondContact O-N 3.26Å
116	P	91.2	Very high	96.1	Very high	128 Å²	128	45.2 Å²	45.2	83%	0.831	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	133.6	175.9	-23.8	33.7	0	0	0	112.1	F118	P116-F118 PolarHBondContact O-N 3.21Å
117	G	90.6	Very high	96.1	Very high	36 Å²	36	40.5 Å²	40.5	37%	0.371	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.8	2.5	177.5	0	0	0	0	0	115.5	Q115 G119 E120	Q115-G117 PolarHBondContact O-N 2.88Å; G117-G119 PolarHBondContact O-N 2.96Å; G117-E120 WeakPolarHBondContact O-CB 3.44Å; G117-E120 WeakPolarHBondContact O-CG 3.39Å; G117-E120 PolarHBondContact O-N 2.85Å
118	F	94.8	Very high	96.2	Very high	6 Å²	6	37.2 Å²	37.2	3%	0.026	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	127.4	-175	178.1	-82.7	0	0	0	112.4	A112 K113 Q115 P116 V123 D194 I196 L229 V234	A112-F118 HydrophobicContact CB-CD1 4.13Å; A112-F118 HydrophobicContact CB-CD2 4.05Å; A112-F118 HydrophobicContact CB-CE1 3.84Å; A112-F118 HydrophobicContact CB-CE2 3.75Å; A112-F118 HydrophobicContact CB-CG 4.25Å; A112-F118 HydrophobicContact CB-CZ 3.65Å; A112-F118 WeakPolarHBondContact O-CB 3.42Å; A112-F118 WeakPolarHBondContact O-CG 3.39Å; K113-F118 HydrophobicContact CD-CD1 3.88Å; K113-F118 HydrophobicContact CD-CE1 4.19Å; K113-F118 PolarHBondContact NZ-O 3.41Å; Q115-F118 HydrophobicContact CB-CB 4.11Å; Q115-F118 WeakPolarHBondContact O-CB 3.26Å; Q115-F118 PolarHBondContact O-N 3.26Å; P116-F118 PolarHBondContact O-N 3.21Å; F118-V123 HydrophobicContact CE2-CG1 4.36Å; F118-V123 HydrophobicContact CZ-CG1 3.93Å; F118-V123 HydrophobicContact CZ-CG2 4.37Å; F118-D194 WeakPolarHBondContact CA-OD2 3.44Å; F118-D194 HydrophobicContact CD2-CB 3.85Å; F118-D194 WeakPolarHBondContact CD2-OD1 3.39Å; F118-D194 WeakPolarHBondContact CD2-OD2 3.38Å; F118-D194 HydrophobicContact CE2-CB 3.67Å; F118-I196 HydrophobicContact CE2-CD1 3.75Å; F118-I196 HydrophobicContact CE2-CG1 4.24Å; F118-I196 HydrophobicContact CZ-CD1 3.7Å; F118-L229 HydrophobicContact CE1-CD1 3.79Å; F118-L229 HydrophobicContact CZ-CD1 4.17Å; F118-V234 HydrophobicContact CD1-CG2 4.48Å; F118-V234 HydrophobicContact CE1-CG2 3.98Å
119	G	94.4	Very high	96.2	Very high	9 Å²	9	37.2 Å²	37.2	9%	0.093	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.6	16.1	179.9	0	0	0	0	0	114.7	G117 D194 I238	G117-G119 PolarHBondContact O-N 2.96Å; G119-D194 PolarHBondContact N-OD2 3.46Å; G119-I238 WeakPolarHBondContact O-CD1 3.45Å
120	E	93	Very high	96.1	Very high	149 Å²	149	36.8 Å²	36.8	70%	0.696	21%	0.211	S	C	*	.	S	Bend	trans	-81.5	-24.9	169.8	-66	178.8	178	0	0	112.1	G117	G117-E120 WeakPolarHBondContact O-CB 3.44Å; G117-E120 WeakPolarHBondContact O-CG 3.39Å; G117-E120 PolarHBondContact O-N 2.85Å
121	D	92.4	Very high	96.1	Very high	68 Å²	68	31.4 Å²	31.4	36%	0.364	19%	0.187	S	C	.	.	S	Bend	trans	-129.7	-173.6	179.2	-71.5	-59.4	0	0	0	111.1	V123 S192 I238	D121-V123 PolarHBondContact O-N 2.88Å; D121-V123 VanDerWaalsContact O-N 3.17Å; D121-S192 VanDerWaalsContact CG-OG 3.26Å; D121-S192 WeakPolarHBondContact OD2-CB 3.31Å; D121-S192 PolarHBondContact OD2-OG 3.29Å; D121-I238 VanDerWaalsContact O-CD1 3.24Å; D121-I238 WeakPolarHBondContact O-CD1 3.18Å
122	E	94.7	Very high	95.9	Very high	42 Å²	42	35.8 Å²	35.8	20%	0.196	20%	0.203	C	C	.	.			trans	-47.8	120.9	-179.3	-175.7	170.6	-96.4	0	0	112.8	G193 D194 I238 R267	E122-G193 CarbonylContact O-C 3.53Å; E122-G193 VanDerWaalsContact O-CA 3.25Å; E122-G193 WeakPolarHBondContact O-CA 3.46Å; E122-D194 PolarHBondContact O-N 2.86Å; E122-I238 WeakPolarHBondContact CA-O 3.47Å; E122-R267 IonicContact OE1-CZ 3.56Å; E122-R267 VanDerWaalsContact OE1-CZ 3.26Å; E122-R267 IonicContact OE1-NH1 2.9Å; E122-R267 PolarHBondContact OE1-NH1 2.92Å; E122-R267 IonicContact OE1-NH2 2.98Å; E122-R267 PolarHBondContact OE1-NH2 3.19Å
123	V	97.3	Very high	95.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	103.4	175.3	-177.3	0	0	0	0	108.5	F118 D121 I125 D194 I196 L229 V234 I238 I239 H240	F118-V123 HydrophobicContact CE2-CG1 4.36Å; F118-V123 HydrophobicContact CZ-CG1 3.93Å; F118-V123 HydrophobicContact CZ-CG2 4.37Å; D121-V123 PolarHBondContact O-N 2.88Å; D121-V123 VanDerWaalsContact O-N 3.17Å; V123-I125 HydrophobicContact CG1-CD1 4.35Å; V123-I125 HydrophobicContact CG1-CG1 4.07Å; V123-D194 HydrophobicContact CG1-CB 4.45Å; V123-D194 HydrophobicContact CG2-CB 4.35Å; V123-I196 HydrophobicContact CG1-CD1 4.37Å; V123-L229 HydrophobicContact CG1-CD2 4.46Å; V123-V234 HydrophobicContact CG2-CG1 3.92Å; V123-I238 PolarHBondContact N-O 3.3Å; V123-I239 WeakPolarHBondContact O-CA 3.36Å; V123-H240 PolarHBondContact O-N 3Å
124	T	98.4	Very high	95.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	123.7	175.2	-61.1	0	0	0	0	110.3	V126 Y148 D194 L195 I196 H240 I242	T124-V126 HydrophobicContact CG2-CG2 4.15Å; T124-Y148 HydrophobicContact CG2-CE1 4.29Å; T124-Y148 HydrophobicContact CG2-CE2 4.26Å; T124-Y148 WeakPolarHBondContact CG2-OH 3.48Å; T124-D194 PolarHBondContact N-O 3.33Å; T124-L195 HydrophobicContact CG2-CD1 3.89Å; T124-L195 WeakPolarHBondContact O-CA 3.49Å; T124-I196 PolarHBondContact O-N 3.34Å; T124-H240 CarbonylContact C-O 3.5Å; T124-H240 WeakPolarHBondContact CA-O 3.12Å; T124-I242 HydrophobicContact CG2-CD1 3.7Å; T124-I242 HydrophobicContact CG2-CG1 4.32Å
125	I	98.9	Very high	95.9	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	119.8	177.8	-55.6	176	0	0	0	108.7	V123 L127 I196 I198 L226 L229 I239 H240 L241 I242	V123-I125 HydrophobicContact CG1-CD1 4.35Å; V123-I125 HydrophobicContact CG1-CG1 4.07Å; I125-L127 HydrophobicContact CG2-CD2 4.24Å; I125-I196 CarbonylContact C-O 3.59Å; I125-I196 WeakPolarHBondContact CA-O 3.46Å; I125-I196 HydrophobicContact CG1-CB 4.25Å; I125-I196 HydrophobicContact CG1-CD1 4.38Å; I125-I196 HydrophobicContact CG2-CG2 4.49Å; I125-I198 HydrophobicContact CG2-CD1 3.58Å; I125-I198 HydrophobicContact CG2-CG1 4.03Å; I125-L226 HydrophobicContact CD1-CD2 3.52Å; I125-L229 HydrophobicContact CD1-CD2 4.05Å; I125-I239 HydrophobicContact CD1-CG2 4.3Å; I125-H240 PolarHBondContact N-O 3.41Å; I125-L241 HydrophobicContact CB-CD1 3.87Å; I125-L241 HydrophobicContact CG2-CD1 3.82Å; I125-L241 CarbonylContact O-C 3.58Å; I125-L241 WeakPolarHBondContact O-CA 3.42Å; I125-I242 PolarHBondContact O-N 3.48Å
126	V	98.9	Very high	96	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.006	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	122.6	-179.3	-175	0	0	0	0	110.1	T124 M141 L144 L195 I196 I197 I198 I242	T124-V126 HydrophobicContact CG2-CG2 4.15Å; V126-M141 HydrophobicContact CG1-CE 4.09Å; V126-L144 HydrophobicContact CG1-CD2 4.02Å; V126-L144 HydrophobicContact CG2-CD2 3.95Å; V126-L195 HydrophobicContact CG2-CD1 3.82Å; V126-I196 PolarHBondContact N-O 3.34Å; V126-I197 HydrophobicContact CB-CD1 3.71Å; V126-I197 HydrophobicContact CG1-CD1 4.42Å; V126-I197 HydrophobicContact CG2-CD1 3.82Å; V126-I198 PolarHBondContact O-N 2.95Å; V126-I242 CarbonylContact C-O 3.57Å; V126-I242 WeakPolarHBondContact CA-O 3.27Å; V126-I242 HydrophobicContact CG2-CB 4.28Å; V126-I242 HydrophobicContact CG2-CD1 4.36Å
127	L	98.9	Very high	96.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	110.5	171.9	-46.7	-174.3	0	0	0	109.2	I125 I198 I222 L241 I242 Q244 S247 V250 A251	I125-L127 HydrophobicContact CG2-CD2 4.24Å; L127-I198 HydrophobicContact CD2-CB 3.72Å; L127-I198 HydrophobicContact CD2-CD1 3.71Å; L127-I198 HydrophobicContact CD2-CG1 4.14Å; L127-I198 HydrophobicContact CD2-CG2 4.12Å; L127-I222 HydrophobicContact CD1-CG1 4.48Å; L127-I222 HydrophobicContact CD1-CG2 4.2Å; L127-I222 HydrophobicContact CD2-CD1 4.29Å; L127-I222 HydrophobicContact CD2-CG2 4.21Å; L127-L241 HydrophobicContact CD1-CD1 4.22Å; L127-L241 HydrophobicContact CD2-CD1 4.1Å; L127-L241 HydrophobicContact CG-CD1 3.98Å; L127-I242 PolarHBondContact N-O 3.36Å; L127-Q244 PolarHBondContact O-N 2.93Å; L127-S247 WeakPolarHBondContact O-CB 3.32Å; L127-V250 HydrophobicContact CD1-CB 4.37Å; L127-V250 HydrophobicContact CD1-CG1 3.97Å; L127-A251 HydrophobicContact CD1-CB 4.06Å
128	T	98.9	Very high	96.7	Very high	1 Å²	1	34 Å²	34	1%	0.006	18%	0.177	C	C	.	.			trans	-70.7	147.7	174.9	72.3	0	0	0	0	110.4	M141 I197 I198 D199 L200 G201 S247	T128-M141 HydrophobicContact CG2-CE 3.5Å; T128-M141 VanDerWaalsContact CG2-CE 3.5Å; T128-I197 HydrophobicContact CG2-CG2 3.84Å; T128-I198 PolarHBondContact N-O 3.44Å; T128-I198 VanDerWaalsContact N-O 3.08Å; T128-D199 VanDerWaalsContact OG1-C 3.26Å; T128-D199 VanDerWaalsContact OG1-CA 3.27Å; T128-D199 WeakPolarHBondContact OG1-CA 3.25Å; T128-D199 PolarHBondContact OG1-OD1 3.36Å; T128-L200 WeakPolarHBondContact O-CB 3.34Å; T128-L200 PolarHBondContact OG1-N 3.1Å; T128-G201 PolarHBondContact O-N 3.16Å; T128-G201 VanDerWaalsContact O-N 3.08Å; T128-G201 WeakPolarHBondContact OG1-CA 3.48Å; T128-G201 PolarHBondContact OG1-N 3.21Å; T128-S247 PolarHBondContact O-OG 3.33Å
129	G	98.2	Very high	96.9	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.195	C	C	.	.			trans	-134.3	6	179.5	0	0	0	0	0	114.8	Q244 S247	G129-Q244 VanDerWaalsContact CA-O 3.3Å; G129-Q244 WeakPolarHBondContact CA-O 3.44Å; G129-S247 VanDerWaalsContact CA-OG 3.3Å; G129-S247 WeakPolarHBondContact CA-OG 3.18Å
130	L	98.3	Very high	97.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.19	C	C	.	.	S	Bend	trans	-113.1	151.9	174.6	-68.4	179.6	0	0	0	110	Q137 G201 I333 V336 A337	L130-Q137 HydrophobicContact CB-CB 3.9Å; L130-Q137 HydrophobicContact CB-CG 3.86Å; L130-Q137 HydrophobicContact CD1-CB 4.41Å; L130-G201 CarbonylContact O-C 3.49Å; L130-G201 VanDerWaalsContact O-CA 3.31Å; L130-G201 WeakPolarHBondContact O-CA 3.22Å; L130-I333 HydrophobicContact CD1-CG2 3.96Å; L130-I333 HydrophobicContact CD2-CG2 4.19Å; L130-V336 HydrophobicContact CD1-CB 4.18Å; L130-V336 HydrophobicContact CD1-CG1 3.95Å; L130-V336 HydrophobicContact CD2-CB 4.37Å; L130-V336 HydrophobicContact CD2-CG1 4.06Å; L130-V336 HydrophobicContact CG-CG1 4.15Å; L130-A337 HydrophobicContact CD1-CB 4.17Å
131	P	96.2	Very high	97.3	Very high	3 Å²	3	31 Å²	31	2%	0.019	16%	0.16	C	C	.	.			trans	-63.4	138.4	-177.6	29	-38.2	0	0	0	111.6	W50 T133 S134	W50-P131 HydrophobicContact CB-CG 4.27Å; W50-P131 HydrophobicContact CD2-CB 4.4Å; W50-P131 HydrophobicContact CD2-CG 3.67Å; W50-P131 HydrophobicContact CE3-CG 4.18Å; W50-P131 HydrophobicContact CG-CB 4.2Å; W50-P131 HydrophobicContact CG-CG 3.71Å; W50-P131 HydrophobicContact CZ2-CG 4.35Å; P131-T133 PolarHBondContact O-N 3.34Å; P131-S134 WeakPolarHBondContact O-CB 3.26Å; P131-S134 PolarHBondContact O-N 2.74Å
132	K	95.3	Very high	97.5	Very high	126 Å²	126	33.5 Å²	33.5	55%	0.548	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-19.9	179	68.5	168.5	179.6	179.9	0	114.5	Q138	K132-Q138 PolarHBondContact O-NE2 3.2Å
133	T	94.8	Very high	97.7	Very high	101 Å²	101	36 Å²	36	62%	0.62	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-14.7	179.5	51.2	0	0	0	0	113	P131 P135	P131-T133 PolarHBondContact O-N 3.34Å; T133-P135 WeakPolarHBondContact O-CD 3.3Å
134	S	97.2	Very high	97.8	Very high	4 Å²	4	36 Å²	36	3%	0.028	17%	0.171	C	C	.	.			trans	-71.5	126.1	178.6	168	0	0	0	0	111.2	E54 P131 A136 Q137 Q138 I333	E54-S134 VanDerWaalsContact OE2-CB 3.23Å; E54-S134 WeakPolarHBondContact OE2-CB 3.19Å; E54-S134 PolarHBondContact OE2-OG 3.05Å; P131-S134 WeakPolarHBondContact O-CB 3.26Å; P131-S134 PolarHBondContact O-N 2.74Å; S134-A136 VanDerWaalsContact C-N 3.29Å; S134-A136 PolarHBondContact O-N 3.08Å; S134-A136 PolarHBondContact OG-N 3.09Å; S134-Q137 PolarHBondContact O-N 2.72Å; S134-Q137 PolarHBondContact OG-N 3.2Å; S134-Q138 WeakPolarHBondContact O-CG 3.02Å; S134-Q138 PolarHBondContact O-N 3.01Å; S134-I333 WeakPolarHBondContact OG-CG2 3.22Å
135	P	97	Very high	97.7	Very high	82 Å²	82	36.7 Å²	36.7	53%	0.532	18%	0.175	S	C	.	.	H	α-helix	trans	-60	-37.6	173.2	-24.3	35	0	0	0	112.8	T133 Q137 Q138 K139	T133-P135 WeakPolarHBondContact O-CD 3.3Å; P135-Q137 VanDerWaalsContact C-N 3.33Å; P135-Q137 PolarHBondContact O-N 3.22Å; P135-Q138 PolarHBondContact O-N 3.15Å; P135-K139 WeakPolarHBondContact O-CB 3.41Å; P135-K139 PolarHBondContact O-N 3.24Å
136	A	97.1	Very high	97.6	Very high	4 Å²	4	40.6 Å²	40.6	3%	0.033	19%	0.193	C	C	.	.	H	α-helix	trans	-59.9	-44.7	175.5	0	0	0	0	0	110.9	S134 K139 A140 I333 E334 A337	S134-A136 VanDerWaalsContact C-N 3.29Å; S134-A136 PolarHBondContact O-N 3.08Å; S134-A136 PolarHBondContact OG-N 3.09Å; A136-K139 PolarHBondContact O-N 3.45Å; A136-A140 WeakPolarHBondContact O-CB 3.37Å; A136-A140 PolarHBondContact O-N 3.15Å; A136-I333 HydrophobicContact CB-CG2 4.23Å; A136-E334 HydrophobicContact CB-CB 4.36Å; A136-E334 VanDerWaalsContact CB-OE2 3.25Å; A136-E334 WeakPolarHBondContact CB-OE2 3.3Å; A136-A337 HydrophobicContact CB-CB 4.03Å
137	Q	97.9	Very high	97.5	Very high	6 Å²	6	40.5 Å²	40.5	3%	0.028	19%	0.193	C	C	.	.	H	α-helix	trans	-65.7	-45.7	177.2	177	56.6	1.9	0	0	112.8	L130 S134 P135 K139 A140 M141 Q244	L130-Q137 HydrophobicContact CB-CB 3.9Å; L130-Q137 HydrophobicContact CB-CG 3.86Å; L130-Q137 HydrophobicContact CD1-CB 4.41Å; S134-Q137 PolarHBondContact O-N 2.72Å; S134-Q137 PolarHBondContact OG-N 3.2Å; P135-Q137 VanDerWaalsContact C-N 3.33Å; P135-Q137 PolarHBondContact O-N 3.22Å; Q137-K139 VanDerWaalsContact C-N 3.28Å; Q137-K139 PolarHBondContact O-N 2.73Å; Q137-A140 PolarHBondContact O-N 3.02Å; Q137-M141 WeakPolarHBondContact O-CB 3.05Å; Q137-M141 PolarHBondContact O-N 3.44Å; Q137-Q244 VanDerWaalsContact CD-OE1 3.32Å; Q137-Q244 VanDerWaalsContact OE1-CD 3.29Å
138	Q	98.2	Very high	97.3	Very high	113 Å²	113	40.6 Å²	40.6	53%	0.528	19%	0.193	S	C	.	.	H	α-helix	trans	-58.7	-42.7	177.1	-70.3	173.9	0.3	0	0	111.3	K132 S134 P135 R142	K132-Q138 PolarHBondContact O-NE2 3.2Å; S134-Q138 WeakPolarHBondContact O-CG 3.02Å; S134-Q138 PolarHBondContact O-N 3.01Å; P135-Q138 PolarHBondContact O-N 3.15Å; Q138-R142 WeakPolarHBondContact O-CB 3.16Å; Q138-R142 PolarHBondContact O-N 3.49Å
139	K	98.1	Very high	97.1	Very high	89 Å²	89	41.9 Å²	41.9	39%	0.387	20%	0.201	S	C	.	.	H	α-helix	trans	-64.5	-46.6	176	-176.2	177.6	-179.3	-178.8	0	111.4	P135 A136 Q137 R143	P135-K139 WeakPolarHBondContact O-CB 3.41Å; P135-K139 PolarHBondContact O-N 3.24Å; A136-K139 PolarHBondContact O-N 3.45Å; Q137-K139 VanDerWaalsContact C-N 3.28Å; Q137-K139 PolarHBondContact O-N 2.73Å; K139-R143 VanDerWaalsContact O-CG 3.32Å; K139-R143 WeakPolarHBondContact O-CG 3.44Å; K139-R143 PolarHBondContact O-N 3.34Å
140	A	98.4	Very high	96.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-59.3	-51.4	178.9	0	0	0	0	0	111.8	A136 Q137 R142 R143 L144 A337 T340 R341	A136-A140 WeakPolarHBondContact O-CB 3.37Å; A136-A140 PolarHBondContact O-N 3.15Å; Q137-A140 PolarHBondContact O-N 3.02Å; A140-R142 PolarHBondContact O-N 3.34Å; A140-R143 PolarHBondContact O-N 3.44Å; A140-L144 PolarHBondContact O-N 3.34Å; A140-A337 HydrophobicContact CB-CB 4.13Å; A140-T340 HydrophobicContact CB-CG2 3.98Å; A140-R341 HydrophobicContact CB-CG 4.08Å
141	M	98.1	Very high	96.6	Very high	11 Å²	11	46 Å²	46	5%	0.054	22%	0.22	C	C	.	.	H	α-helix	trans	-65.6	-40.7	-178.8	-168.9	51.1	55.9	0	0	112.3	W92 V126 T128 Q137 R143 L144 I145 I197	W92-M141 HydrophobicContact CZ3-CG 4.4Å; V126-M141 HydrophobicContact CG1-CE 4.09Å; T128-M141 HydrophobicContact CG2-CE 3.5Å; T128-M141 VanDerWaalsContact CG2-CE 3.5Å; Q137-M141 WeakPolarHBondContact O-CB 3.05Å; Q137-M141 PolarHBondContact O-N 3.44Å; M141-R143 VanDerWaalsContact C-N 3.33Å; M141-R143 PolarHBondContact O-N 3.5Å; M141-L144 HydrophobicContact CE-CD2 4.39Å; M141-L144 PolarHBondContact O-N 2.93Å; M141-L144 HydrophobicContact SD-CD2 4.28Å; M141-I145 HydrophobicContact CG-CD1 3.86Å; M141-I145 HydrophobicContact CG-CG1 4.4Å; M141-I145 WeakPolarHBondContact O-CB 3.45Å; M141-I145 VanDerWaalsContact O-CG1 3.32Å; M141-I145 WeakPolarHBondContact O-CG1 3.29Å; M141-I145 PolarHBondContact O-N 3.44Å; M141-I145 HydrophobicContact SD-CD1 4.18Å; M141-I145 HydrophobicContact SD-CG1 4.17Å; M141-I197 HydrophobicContact CE-CG2 4.27Å; M141-I197 HydrophobicContact SD-CD1 3.68Å; M141-I197 HydrophobicContact SD-CG1 4.07Å; M141-I197 HydrophobicContact SD-CG2 3.87Å
142	R	97.8	Very high	96.4	Very high	121 Å²	121	47 Å²	47	46%	0.457	22%	0.223	S	C	.	.	H	α-helix	trans	-57.8	-44.5	173.5	177	176.3	54.6	115	-5.1	111.9	Q138 A140 Q146	Q138-R142 WeakPolarHBondContact O-CB 3.16Å; Q138-R142 PolarHBondContact O-N 3.49Å; A140-R142 PolarHBondContact O-N 3.34Å; R142-Q146 WeakPolarHBondContact O-CB 3.35Å; R142-Q146 WeakPolarHBondContact O-CG 3.09Å; R142-Q146 PolarHBondContact O-N 2.97Å
143	R	98	Very high	96.1	Very high	93 Å²	93	43.3 Å²	43.3	35%	0.351	21%	0.21	S	C	.	.	H	α-helix	trans	-66.8	-40	179.2	-69.8	-56.4	-169	-176.5	6	112.2	K139 A140 M141 Q146 A147 A344	K139-R143 VanDerWaalsContact O-CG 3.32Å; K139-R143 WeakPolarHBondContact O-CG 3.44Å; K139-R143 PolarHBondContact O-N 3.34Å; A140-R143 PolarHBondContact O-N 3.44Å; M141-R143 VanDerWaalsContact C-N 3.33Å; M141-R143 PolarHBondContact O-N 3.5Å; R143-Q146 PolarHBondContact O-N 2.96Å; R143-A147 WeakPolarHBondContact O-CB 3.42Å; R143-A147 PolarHBondContact O-N 2.87Å; R143-A344 HydrophobicContact CB-CB 4.31Å
144	L	98.3	Very high	95.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-63.5	-50.3	177	-172.4	66	0	0	0	111.7	V126 A140 M141 Q146 A147 Y148 T340 F343 A344	V126-L144 HydrophobicContact CG1-CD2 4.02Å; V126-L144 HydrophobicContact CG2-CD2 3.95Å; A140-L144 PolarHBondContact O-N 3.34Å; M141-L144 HydrophobicContact CE-CD2 4.39Å; M141-L144 PolarHBondContact O-N 2.93Å; M141-L144 HydrophobicContact SD-CD2 4.28Å; L144-Q146 VanDerWaalsContact C-N 3.33Å; L144-Q146 PolarHBondContact O-N 3.02Å; L144-A147 PolarHBondContact O-N 2.8Å; L144-A147 VanDerWaalsContact O-N 3.14Å; L144-Y148 HydrophobicContact CD1-CD2 4.06Å; L144-Y148 HydrophobicContact CD1-CE2 3.75Å; L144-Y148 HydrophobicContact CG-CD2 4.12Å; L144-Y148 HydrophobicContact CG-CE2 4.13Å; L144-Y148 WeakPolarHBondContact O-CD2 3.38Å; L144-Y148 PolarHBondContact O-N 3.08Å; L144-Y148 VanDerWaalsContact O-N 3.09Å; L144-T340 HydrophobicContact CB-CG2 4.34Å; L144-T340 HydrophobicContact CD2-CG2 4.07Å; L144-F343 HydrophobicContact CD1-CD1 3.93Å; L144-A344 HydrophobicContact CB-CB 4.1Å; L144-A344 HydrophobicContact CD1-CB 3.87Å
145	I	97.9	Very high	94.9	Very high	16 Å²	16	45.1 Å²	45.1	8%	0.082	21%	0.211	C	C	.	.	H	α-helix	trans	-57.7	-47.1	176.8	-69.9	170.3	0	0	0	110.4	I94 M141 A147 Y148 V149 L195 I197	I94-I145 HydrophobicContact CD1-CD1 4.21Å; I94-I145 HydrophobicContact CD1-CG1 4.49Å; I94-I145 HydrophobicContact CG1-CG1 4.46Å; I94-I145 HydrophobicContact CG2-CG2 3.99Å; M141-I145 HydrophobicContact CG-CD1 3.86Å; M141-I145 HydrophobicContact CG-CG1 4.4Å; M141-I145 WeakPolarHBondContact O-CB 3.45Å; M141-I145 VanDerWaalsContact O-CG1 3.32Å; M141-I145 WeakPolarHBondContact O-CG1 3.29Å; M141-I145 PolarHBondContact O-N 3.44Å; M141-I145 HydrophobicContact SD-CD1 4.18Å; M141-I145 HydrophobicContact SD-CG1 4.17Å; I145-A147 VanDerWaalsContact C-N 3.3Å; I145-A147 PolarHBondContact O-N 2.66Å; I145-Y148 PolarHBondContact O-N 3.09Å; I145-V149 HydrophobicContact CG2-CG2 4.23Å; I145-V149 WeakPolarHBondContact O-CB 3.42Å; I145-V149 VanDerWaalsContact O-CG2 3.27Å; I145-V149 WeakPolarHBondContact O-CG2 3.35Å; I145-V149 PolarHBondContact O-N 2.87Å; I145-L195 HydrophobicContact CG1-CD2 4.29Å; I145-I197 HydrophobicContact CD1-CG1 4.26Å; I145-I197 HydrophobicContact CG1-CD1 4.38Å; I145-I197 HydrophobicContact CG1-CG1 4.28Å
146	Q	96.1	Very high	94.1	Very high	81 Å²	81	45.4 Å²	45.4	38%	0.379	21%	0.205	S	C	.	.	H	α-helix	trans	-58.7	-40.4	177.4	-77.1	175.6	-14	0	0	112.5	R142 R143 L144 Q150	R142-Q146 WeakPolarHBondContact O-CB 3.35Å; R142-Q146 WeakPolarHBondContact O-CG 3.09Å; R142-Q146 PolarHBondContact O-N 2.97Å; R143-Q146 PolarHBondContact O-N 2.96Å; L144-Q146 VanDerWaalsContact C-N 3.33Å; L144-Q146 PolarHBondContact O-N 3.02Å; Q146-Q150 WeakPolarHBondContact O-CB 3.45Å; Q146-Q150 PolarHBondContact O-N 2.62Å
147	A	96.1	Very high	93.4	Very high	0 Å²	0	48 Å²	48	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-65.8	-44.6	179.7	0	0	0	0	0	112.1	R143 L144 I145 Q150 K151 A344 V347 R348	R143-A147 WeakPolarHBondContact O-CB 3.42Å; R143-A147 PolarHBondContact O-N 2.87Å; L144-A147 PolarHBondContact O-N 2.8Å; L144-A147 VanDerWaalsContact O-N 3.14Å; I145-A147 VanDerWaalsContact C-N 3.3Å; I145-A147 PolarHBondContact O-N 2.66Å; A147-Q150 PolarHBondContact O-N 3.21Å; A147-K151 WeakPolarHBondContact O-CB 3.42Å; A147-K151 PolarHBondContact O-N 2.93Å; A147-A344 HydrophobicContact CB-CB 4.45Å; A147-A344 WeakPolarHBondContact CB-O 3.45Å; A147-V347 HydrophobicContact CB-CB 3.94Å; A147-V347 HydrophobicContact CB-CG1 3.87Å; A147-R348 HydrophobicContact CB-CG 3.79Å
148	Y	96.4	Very high	92.7	Very high	1 Å²	1	49.3 Å²	49.3	0%	0.004	22%	0.224	C	C	.	.	H	α-helix	trans	-67.3	-42.3	176.4	-85.8	-73.3	0	0	0	112.8	T124 L144 I145 Q150 K151 Y152 L195 V347	T124-Y148 HydrophobicContact CG2-CE1 4.29Å; T124-Y148 HydrophobicContact CG2-CE2 4.26Å; T124-Y148 WeakPolarHBondContact CG2-OH 3.48Å; L144-Y148 HydrophobicContact CD1-CD2 4.06Å; L144-Y148 HydrophobicContact CD1-CE2 3.75Å; L144-Y148 HydrophobicContact CG-CD2 4.12Å; L144-Y148 HydrophobicContact CG-CE2 4.13Å; L144-Y148 WeakPolarHBondContact O-CD2 3.38Å; L144-Y148 PolarHBondContact O-N 3.08Å; L144-Y148 VanDerWaalsContact O-N 3.09Å; I145-Y148 PolarHBondContact O-N 3.09Å; Y148-Q150 VanDerWaalsContact C-N 3.28Å; Y148-Q150 PolarHBondContact O-N 3.16Å; Y148-K151 WeakPolarHBondContact O-CB 3.49Å; Y148-K151 PolarHBondContact O-N 3.14Å; Y148-K151 VanDerWaalsContact O-N 3.15Å; Y148-Y152 HydrophobicContact CD1-CE1 4.31Å; Y148-Y152 AromaticContact CD1-CE2 3.86Å; Y148-Y152 HydrophobicContact CD1-CE2 3.86Å; Y148-Y152 AromaticContact CD1-CZ 3.64Å; Y148-Y152 WeakPolarHBondContact O-CD2 3.37Å; Y148-Y152 PolarHBondContact O-N 2.9Å; Y148-L195 HydrophobicContact CD2-CD1 4.03Å; Y148-L195 HydrophobicContact CD2-CD2 3.87Å; Y148-L195 HydrophobicContact CE2-CD1 4.23Å; Y148-L195 HydrophobicContact CG-CD1 4.34Å; Y148-L195 HydrophobicContact CG-CD2 3.91Å; Y148-V347 HydrophobicContact CD1-CG1 3.87Å; Y148-V347 HydrophobicContact CD2-CG1 4.01Å; Y148-V347 HydrophobicContact CE1-CG1 3.95Å; Y148-V347 HydrophobicContact CE1-CG2 4.48Å; Y148-V347 HydrophobicContact CE2-CG1 4.11Å; Y148-V347 HydrophobicContact CE2-CG2 3.95Å; Y148-V347 HydrophobicContact CG-CG1 3.89Å
149	V	94.5	Very high	92	Very high	29 Å²	29	49.2 Å²	49.2	18%	0.176	22%	0.222	C	C	.	.	H	α-helix	trans	-58.7	-43.1	174.1	168.9	0	0	0	0	110.6	I94 I145 Y152 N153	I94-V149 HydrophobicContact CG2-CG2 3.73Å; I145-V149 HydrophobicContact CG2-CG2 4.23Å; I145-V149 WeakPolarHBondContact O-CB 3.42Å; I145-V149 VanDerWaalsContact O-CG2 3.27Å; I145-V149 WeakPolarHBondContact O-CG2 3.35Å; I145-V149 PolarHBondContact O-N 2.87Å; V149-Y152 PolarHBondContact O-N 3.31Å; V149-N153 WeakPolarHBondContact O-CB 3.19Å; V149-N153 PolarHBondContact O-N 3.47Å
150	Q	92.6	Very high	91.3	Very high	55 Å²	55	47.8 Å²	47.8	26%	0.257	22%	0.218	S	C	.	.	H	α-helix	trans	-63.6	-42.2	175.4	-173.6	-178.7	5.5	0	0	112.1	Q146 A147 Y148 L154 L157 P349	Q146-Q150 WeakPolarHBondContact O-CB 3.45Å; Q146-Q150 PolarHBondContact O-N 2.62Å; A147-Q150 PolarHBondContact O-N 3.21Å; Y148-Q150 VanDerWaalsContact C-N 3.28Å; Y148-Q150 PolarHBondContact O-N 3.16Å; Q150-L154 PolarHBondContact O-N 3.23Å; Q150-L157 HydrophobicContact CG-CD1 3.92Å; Q150-P349 HydrophobicContact CG-CG 4.33Å
151	K	92.9	Very high	90.4	Very high	31 Å²	31	48.6 Å²	48.6	14%	0.135	23%	0.225	C	C	.	.	H	α-helix	trans	-60.7	-46.3	176.9	177.9	-179.4	168.4	64.2	0	111.8	A147 Y148 L154 V347 P349 L380	A147-K151 WeakPolarHBondContact O-CB 3.42Å; A147-K151 PolarHBondContact O-N 2.93Å; Y148-K151 WeakPolarHBondContact O-CB 3.49Å; Y148-K151 PolarHBondContact O-N 3.14Å; Y148-K151 VanDerWaalsContact O-N 3.15Å; K151-L154 WeakPolarHBondContact O-CB 3.44Å; K151-V347 HydrophobicContact CB-CG1 4.43Å; K151-V347 HydrophobicContact CD-CG1 4.07Å; K151-P349 HydrophobicContact CB-CG 4.33Å; K151-L380 HydrophobicContact CD-CD2 4Å
152	Y	92.1	Very high	89.5	Confident	24 Å²	24	53.5 Å²	53.5	9%	0.094	25%	0.248	C	C	.	.	H	α-helix	trans	-80.9	-24.2	-175.5	-59.3	-27.8	0	0	0	114.1	Y148 V149 A191 G193 L195	Y148-Y152 HydrophobicContact CD1-CE1 4.31Å; Y148-Y152 AromaticContact CD1-CE2 3.86Å; Y148-Y152 HydrophobicContact CD1-CE2 3.86Å; Y148-Y152 AromaticContact CD1-CZ 3.64Å; Y148-Y152 WeakPolarHBondContact O-CD2 3.37Å; Y148-Y152 PolarHBondContact O-N 2.9Å; V149-Y152 PolarHBondContact O-N 3.31Å; Y152-A191 WeakPolarHBondContact CA-O 3.4Å; Y152-G193 VanDerWaalsContact CD2-O 3.25Å; Y152-G193 WeakPolarHBondContact CD2-O 3.46Å; Y152-G193 VanDerWaalsContact CE2-C 3.43Å; Y152-G193 VanDerWaalsContact CE2-O 3.26Å; Y152-G193 WeakPolarHBondContact CE2-O 3.26Å; Y152-L195 HydrophobicContact CE2-CB 4.29Å
153	N	87.7	Confident	88.6	Confident	48 Å²	48	51.9 Å²	51.9	26%	0.257	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	14.9	176.1	-157.7	26	0	0	0	113.3	V149 Q155 Q156 L157	V149-N153 WeakPolarHBondContact O-CB 3.19Å; V149-N153 PolarHBondContact O-N 3.47Å; N153-Q155 PolarHBondContact O-N 3.38Å; N153-Q156 PolarHBondContact O-N 3.43Å; N153-Q156 VanDerWaalsContact OD1-CB 3.26Å; N153-Q156 WeakPolarHBondContact OD1-CB 3.37Å; N153-L157 WeakPolarHBondContact O-CG 3.46Å; N153-L157 PolarHBondContact O-N 3.03Å
154	L	85.3	Confident	87.4	Confident	2 Å²	2	53 Å²	53	1%	0.01	26%	0.255	C	S	.	.	H	α-helix	trans	-59.1	-42	-168	-175	60.4	0	0	0	113.2	Q150 K151 Q156 L157 Q158 W185 A188 A190 P349	Q150-L154 PolarHBondContact O-N 3.23Å; K151-L154 WeakPolarHBondContact O-CB 3.44Å; L154-Q156 PolarHBondContact O-N 2.86Å; L154-L157 PolarHBondContact O-N 3.11Å; L154-Q158 HydrophobicContact CD1-CG 4.25Å; L154-Q158 HydrophobicContact CG-CG 4.34Å; L154-Q158 WeakPolarHBondContact O-CB 3.35Å; L154-Q158 VanDerWaalsContact O-CG 3.32Å; L154-Q158 WeakPolarHBondContact O-CG 3.48Å; L154-Q158 PolarHBondContact O-N 3.48Å; L154-W185 HydrophobicContact CD1-CE3 3.58Å; L154-W185 HydrophobicContact CD1-CZ3 4.22Å; L154-A188 HydrophobicContact CD2-CB 3.91Å; L154-A188 WeakPolarHBondContact CD2-O 3.32Å; L154-A190 HydrophobicContact CB-CB 4.44Å; L154-P349 HydrophobicContact CD1-CB 3.9Å; L154-P349 HydrophobicContact CD1-CG 3.92Å; L154-P349 HydrophobicContact CD2-CB 3.82Å; L154-P349 HydrophobicContact CD2-CG 3.97Å; L154-P349 HydrophobicContact CG-CB 4.49Å; L154-P349 HydrophobicContact CG-CG 4.41Å
155	Q	82.3	Confident	85.9	Confident	141 Å²	141	56.7 Å²	56.7	66%	0.659	27%	0.272	S	S	*	.	H	α-helix	trans	-60.6	-45.3	180	-63.6	-178.1	-19.2	0	0	111.7	N153 L157 Q158 K159 A190	N153-Q155 PolarHBondContact O-N 3.38Å; Q155-L157 VanDerWaalsContact C-N 3.34Å; Q155-Q158 PolarHBondContact O-N 3.17Å; Q155-K159 WeakPolarHBondContact O-CB 3.3Å; Q155-K159 PolarHBondContact O-N 2.99Å; Q155-A190 HydrophobicContact CG-CB 3.22Å
156	Q	81	Confident	84.4	Confident	88 Å²	88	62.7 Å²	62.7	41%	0.411	30%	0.3	S	S	.	.	H	α-helix	trans	-66.8	-39.5	179.2	-171.3	61.3	53.1	0	0	111.1	N153 L154 Q158 K159 N160	N153-Q156 PolarHBondContact O-N 3.43Å; N153-Q156 VanDerWaalsContact OD1-CB 3.26Å; N153-Q156 WeakPolarHBondContact OD1-CB 3.37Å; L154-Q156 PolarHBondContact O-N 2.86Å; Q156-Q158 VanDerWaalsContact C-N 3.35Å; Q156-K159 PolarHBondContact O-N 3.27Å; Q156-N160 PolarHBondContact NE2-OD1 3.34Å; Q156-N160 WeakPolarHBondContact O-CB 3.46Å; Q156-N160 PolarHBondContact O-N 2.97Å; Q156-N160 PolarHBondContact O-OD1 3.23Å
157	L	81.8	Confident	82.7	Confident	58 Å²	58	65.5 Å²	65.5	30%	0.304	31%	0.313	S	S	.	.	H	α-helix	trans	-62.5	-42.6	175.4	-68.2	172.4	0	0	0	111.5	Q150 N153 L154 Q155 N160 A161 W185	Q150-L157 HydrophobicContact CG-CD1 3.92Å; N153-L157 WeakPolarHBondContact O-CG 3.46Å; N153-L157 PolarHBondContact O-N 3.03Å; L154-L157 PolarHBondContact O-N 3.11Å; Q155-L157 VanDerWaalsContact C-N 3.34Å; L157-N160 PolarHBondContact O-N 3.02Å; L157-A161 WeakPolarHBondContact O-CB 3.49Å; L157-A161 PolarHBondContact O-N 3.4Å; L157-W185 HydrophobicContact CB-CH2 4.05Å; L157-W185 HydrophobicContact CB-CZ3 3.62Å; L157-W185 WeakPolarHBondContact O-CH2 3.47Å
158	Q	82.7	Confident	80.9	Confident	34 Å²	34	69.6 Å²	69.6	16%	0.159	34%	0.335	C	S	.	.	H	α-helix	trans	-64.6	-43	178.4	-74.9	172	-16.9	0	0	110.9	L154 Q155 Q156 A161 Q162 W185 K186 A188	L154-Q158 HydrophobicContact CD1-CG 4.25Å; L154-Q158 HydrophobicContact CG-CG 4.34Å; L154-Q158 WeakPolarHBondContact O-CB 3.35Å; L154-Q158 VanDerWaalsContact O-CG 3.32Å; L154-Q158 WeakPolarHBondContact O-CG 3.48Å; L154-Q158 PolarHBondContact O-N 3.48Å; Q155-Q158 PolarHBondContact O-N 3.17Å; Q156-Q158 VanDerWaalsContact C-N 3.35Å; Q158-A161 PolarHBondContact O-N 2.91Å; Q158-Q162 WeakPolarHBondContact O-CG 3.47Å; Q158-Q162 PolarHBondContact O-N 3.4Å; Q158-W185 HydrophobicContact CB-CZ3 4.34Å; Q158-W185 HydrophobicContact CG-CE3 3.95Å; Q158-W185 HydrophobicContact CG-CZ3 3.66Å; Q158-W185 PolarHBondContact NE2-O 2.88Å; Q158-K186 PolarHBondContact NE2-O 3.07Å; Q158-A188 PolarHBondContact NE2-O 2.91Å
159	K	83.4	Confident	78.8	Confident	112 Å²	112	78.4 Å²	78.4	49%	0.487	37%	0.373	S	S	.	.	H	α-helix	trans	-60.9	-49.6	175.6	-173.6	179.3	176.5	-176.6	0	112	Q155 Q156 A161 Q162 E163	Q155-K159 WeakPolarHBondContact O-CB 3.3Å; Q155-K159 PolarHBondContact O-N 2.99Å; Q156-K159 PolarHBondContact O-N 3.27Å; K159-A161 VanDerWaalsContact C-N 3.29Å; K159-A161 PolarHBondContact O-N 2.99Å; K159-Q162 PolarHBondContact O-N 3.21Å; K159-E163 WeakPolarHBondContact CE-OE1 3.38Å; K159-E163 WeakPolarHBondContact O-CG 3.37Å; K159-E163 PolarHBondContact O-N 2.99Å
160	N	83.5	Confident	76.8	Confident	58 Å²	58	82.3 Å²	82.3	31%	0.31	40%	0.401	S	S	.	.	H	α-helix	trans	-60.7	-38.4	179.1	-67.4	-0.2	0	0	0	112	Q156 L157 E163 Q164	Q156-N160 PolarHBondContact NE2-OD1 3.34Å; Q156-N160 WeakPolarHBondContact O-CB 3.46Å; Q156-N160 PolarHBondContact O-N 2.97Å; Q156-N160 PolarHBondContact O-OD1 3.23Å; L157-N160 PolarHBondContact O-N 3.02Å; N160-E163 PolarHBondContact O-N 2.74Å; N160-Q164 WeakPolarHBondContact O-CG 3.46Å; N160-Q164 PolarHBondContact O-N 3.34Å
161	A	80.7	Confident	74.3	Confident	18 Å²	18	82.6 Å²	82.6	15%	0.149	41%	0.41	C	S	.	.	H	α-helix	trans	-69	-36.6	177.7	0	0	0	0	0	112.6	L157 Q158 K159 Q165 W185	L157-A161 WeakPolarHBondContact O-CB 3.49Å; L157-A161 PolarHBondContact O-N 3.4Å; Q158-A161 PolarHBondContact O-N 2.91Å; K159-A161 VanDerWaalsContact C-N 3.29Å; K159-A161 PolarHBondContact O-N 2.99Å; A161-Q165 WeakPolarHBondContact O-CG 3.19Å; A161-Q165 PolarHBondContact O-N 2.99Å; A161-W185 HydrophobicContact CB-CH2 3.78Å; A161-W185 HydrophobicContact CB-CZ2 4.19Å
162	Q	78.2	Confident	71.9	Confident	114 Å²	114	88.9 Å²	88.9	53%	0.533	44%	0.444	S	S	.	.	H	α-helix	trans	-65.7	-42.5	174	-72.4	173.5	2.2	0	0	111.5	Q158 K159 Q165 Q166	Q158-Q162 WeakPolarHBondContact O-CG 3.47Å; Q158-Q162 PolarHBondContact O-N 3.4Å; K159-Q162 PolarHBondContact O-N 3.21Å; Q162-Q165 PolarHBondContact O-N 3.43Å; Q162-Q166 WeakPolarHBondContact O-CG 3.38Å; Q162-Q166 PolarHBondContact O-N 3.37Å
163	E	78.9	Confident	69.3	Low	87 Å²	87	98 Å²	98	41%	0.407	48%	0.48	S	S	.	.	H	α-helix	trans	-63.8	-42	176.3	-70.7	173.2	-174	0	0	111.8	K159 N160 Q166 Q167	K159-E163 WeakPolarHBondContact CE-OE1 3.38Å; K159-E163 WeakPolarHBondContact O-CG 3.37Å; K159-E163 PolarHBondContact O-N 2.99Å; N160-E163 PolarHBondContact O-N 2.74Å; E163-Q166 PolarHBondContact O-N 2.79Å; E163-Q167 WeakPolarHBondContact O-CG 3.2Å; E163-Q167 PolarHBondContact O-N 2.87Å; E163-Q167 VanDerWaalsContact O-N 3.08Å
164	Q	73.1	Confident	67	Low	117 Å²	117	103.6 Å²	103.6	55%	0.547	51%	0.51	S	S	.	.	H	α-helix	trans	-64.8	-42	175.6	-75	175.3	26.1	0	0	112.6	N160 Q166 Q167 L168	N160-Q164 WeakPolarHBondContact O-CG 3.46Å; N160-Q164 PolarHBondContact O-N 3.34Å; Q164-Q166 VanDerWaalsContact C-N 3.3Å; Q164-Q166 PolarHBondContact O-N 2.93Å; Q164-Q167 PolarHBondContact O-N 2.73Å; Q164-L168 WeakPolarHBondContact O-CB 3.5Å; Q164-L168 WeakPolarHBondContact O-CD1 3.49Å; Q164-L168 WeakPolarHBondContact O-CG 3.4Å; Q164-L168 PolarHBondContact O-N 3.24Å
165	Q	67.6	Low	64.7	Low	76 Å²	76	110.9 Å²	110.9	36%	0.355	54%	0.539	S	S	.	.	H	α-helix	trans	-64.5	-35	175.7	-76.4	172.1	31.5	0	0	112.3	A161 Q162 Q167 L168 K169	A161-Q165 WeakPolarHBondContact O-CG 3.19Å; A161-Q165 PolarHBondContact O-N 2.99Å; Q162-Q165 PolarHBondContact O-N 3.43Å; Q165-Q167 VanDerWaalsContact C-N 3.34Å; Q165-L168 PolarHBondContact O-N 2.91Å; Q165-K169 WeakPolarHBondContact O-CG 3.36Å; Q165-K169 PolarHBondContact O-N 3.18Å
166	Q	65.7	Low	62.6	Low	143 Å²	143	109.7 Å²	109.7	67%	0.668	54%	0.541	S	S	*	.	H	α-helix	trans	-67.2	-35.4	174.5	-72.9	174.4	22.6	0	0	112	Q162 E163 Q164	Q162-Q166 WeakPolarHBondContact O-CG 3.38Å; Q162-Q166 PolarHBondContact O-N 3.37Å; E163-Q166 PolarHBondContact O-N 2.79Å; Q164-Q166 VanDerWaalsContact C-N 3.3Å; Q164-Q166 PolarHBondContact O-N 2.93Å
167	Q	60.6	Low	60.7	Low	140 Å²	140	111.4 Å²	111.4	65%	0.654	56%	0.563	S	S	*	*	H	α-helix	trans	-70.6	-43.5	173.3	-70	176.1	12.5	0	0	111.8	E163 Q164 Q165 K169 S170	E163-Q167 WeakPolarHBondContact O-CG 3.2Å; E163-Q167 PolarHBondContact O-N 2.87Å; E163-Q167 VanDerWaalsContact O-N 3.08Å; Q164-Q167 PolarHBondContact O-N 2.73Å; Q165-Q167 VanDerWaalsContact C-N 3.34Å; Q167-K169 PolarHBondContact O-N 2.83Å; Q167-S170 WeakPolarHBondContact O-CB 3.43Å; Q167-S170 PolarHBondContact O-N 2.87Å; Q167-S170 PolarHBondContact O-OG 2.84Å
168	L	58.2	Low	58.8	Low	86 Å²	86	113.5 Å²	113.5	45%	0.45	58%	0.582	S	S	.	*	H	α-helix	trans	-69.8	-26	-179.2	-78.2	156.5	0	0	0	113.9	Q164 Q165 S170 S171	Q164-L168 WeakPolarHBondContact O-CB 3.5Å; Q164-L168 WeakPolarHBondContact O-CD1 3.49Å; Q164-L168 WeakPolarHBondContact O-CG 3.4Å; Q164-L168 PolarHBondContact O-N 3.24Å; Q165-L168 PolarHBondContact O-N 2.91Å; L168-S170 PolarHBondContact O-N 3.16Å; L168-S171 PolarHBondContact O-N 2.92Å; L168-S171 VanDerWaalsContact O-O 3.07Å; L168-S171 PolarHBondContact O-OG 3.34Å
169	K	52.9	Low	57	Low	185 Å²	185	115 Å²	115	80%	0.804	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.3	-6.6	171.2	-82.3	-178.4	-179.5	-173.2	0	113.9	Q165 Q167	Q165-K169 WeakPolarHBondContact O-CG 3.36Å; Q165-K169 PolarHBondContact O-N 3.18Å; Q167-K169 PolarHBondContact O-N 2.83Å
170	S	51.8	Low	55	Low	111 Å²	111	117.8 Å²	117.8	78%	0.776	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.9	-3	169.2	69.6	0	0	0	0	114.5	Q167 L168	Q167-S170 WeakPolarHBondContact O-CB 3.43Å; Q167-S170 PolarHBondContact O-N 2.87Å; Q167-S170 PolarHBondContact O-OG 2.84Å; L168-S170 PolarHBondContact O-N 3.16Å
171	S	40.1	Very low	53.2	Low	62 Å²	62	118.3 Å²	118.3	43%	0.434	62%	0.616	S	S	.	*	S	Bend	trans	-133	108.4	177.4	59	0	0	0	0	110.9	L168 Y173	L168-S171 PolarHBondContact O-N 2.92Å; L168-S171 VanDerWaalsContact O-O 3.07Å; L168-S171 PolarHBondContact O-OG 3.34Å; S171-Y173 PolarHBondContact O-N 3.46Å; S171-Y173 VanDerWaalsContact O-N 3.14Å
172	D	41.6	Very low	51.9	Low	162 Å²	162	119.5 Å²	119.5	87%	0.866	63%	0.626	S	S	*	*			trans	-59.7	105	176.4	-94.4	-27.6	0	0	0	111.6
173	Y	37.8	Very low	51	Low	216 Å²	216	116.9 Å²	116.9	85%	0.847	62%	0.616	S	S	*	*			trans	-148	140.7	156.5	-80.9	-67.2	0	0	0	112.2	S171	S171-Y173 PolarHBondContact O-N 3.46Å; S171-Y173 VanDerWaalsContact O-N 3.14Å
174	D	40.3	Very low	50.3	Low	165 Å²	165	116.6 Å²	116.6	88%	0.882	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-82	133.6	-166.3	-142.4	-6.1	0	0	0	112.2
175	Y	37.3	Very low	50.1	Low	156 Å²	156	113.5 Å²	113.5	61%	0.612	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-94.7	139.4	-170.8	-97.3	-95.5	0	0	0	112.7	E179	Y175-E179 WeakPolarHBondContact CD1-OE2 3.35Å; Y175-E179 WeakPolarHBondContact CE1-OE1 3.32Å
176	T	38.1	Very low	50.2	Low	115 Å²	115	113.2 Å²	113.2	71%	0.706	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-103.9	147.3	179.8	60.2	0	0	0	0	112.6	S178	T176-S178 VanDerWaalsContact C-N 3.3Å; T176-S178 PolarHBondContact O-N 3.23Å
177	S	40.7	Very low	50.5	Low	124 Å²	124	111.5 Å²	111.5	87%	0.867	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	23.4	-156.2	65.9	0	0	0	0	118.8	E179	S177-E179 VanDerWaalsContact C-N 3.32Å
178	S	41.5	Very low	51.1	Low	102 Å²	102	105.6 Å²	105.6	71%	0.713	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	2.2	176.3	67.3	0	0	0	0	114.3	T176	T176-S178 VanDerWaalsContact C-N 3.3Å; T176-S178 PolarHBondContact O-N 3.23Å
179	E	44.3	Very low	51.9	Low	67 Å²	67	111 Å²	111	31%	0.313	59%	0.594	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.4	-7.8	-169.7	-64.5	-155.3	141.8	0	0	116.5	Y175 S177 A181 A182 D183	Y175-E179 WeakPolarHBondContact CD1-OE2 3.35Å; Y175-E179 WeakPolarHBondContact CE1-OE1 3.32Å; S177-E179 VanDerWaalsContact C-N 3.32Å; E179-A181 PolarHBondContact O-N 3.06Å; E179-A181 VanDerWaalsContact O-N 3.09Å; E179-A182 HydrophobicContact CB-CB 4.21Å; E179-A182 HydrophobicContact CG-CB 4.48Å; E179-A182 CarbonylContact O-C 3.56Å; E179-A182 WeakPolarHBondContact O-CA 3.34Å; E179-A182 WeakPolarHBondContact O-CB 3.18Å; E179-A182 PolarHBondContact O-N 3.04Å; E179-D183 PolarHBondContact O-N 2.58Å
180	E	41.7	Very low	53.1	Low	170 Å²	170	103.5 Å²	103.5	79%	0.794	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.3	-28.6	-179.2	-74.9	-172.9	160.8	0	0	112.9
181	A	46.5	Very low	54.5	Low	68 Å²	68	100 Å²	100	56%	0.562	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-30.5	169.5	0	0	0	0	0	112.9	E179 D183	E179-A181 PolarHBondContact O-N 3.06Å; E179-A181 VanDerWaalsContact O-N 3.09Å; A181-D183 VanDerWaalsContact C-N 3.27Å; A181-D183 PolarHBondContact O-N 2.78Å
182	A	53.8	Low	56.7	Low	44 Å²	44	100.1 Å²	100.1	36%	0.364	55%	0.546	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-17	-179.8	0	0	0	0	0	113	E179 W185	E179-A182 HydrophobicContact CB-CB 4.21Å; E179-A182 HydrophobicContact CG-CB 4.48Å; E179-A182 CarbonylContact O-C 3.56Å; E179-A182 WeakPolarHBondContact O-CA 3.34Å; E179-A182 WeakPolarHBondContact O-CB 3.18Å; E179-A182 PolarHBondContact O-N 3.04Å; A182-W185 PolarHBondContact O-NE1 2.73Å
183	D	59.7	Low	59.1	Low	59 Å²	59	93.1 Å²	93.1	32%	0.316	51%	0.511	S	S	.	.	S	Bend	trans	-103.5	-17	-170.7	-84.1	12.5	0	0	0	115.4	E179 A181 W185 K186	E179-D183 PolarHBondContact O-N 2.58Å; A181-D183 VanDerWaalsContact C-N 3.27Å; A181-D183 PolarHBondContact O-N 2.78Å; D183-W185 VanDerWaalsContact C-N 3.26Å; D183-W185 PolarHBondContact O-N 3.15Å; D183-K186 HydrophobicContact CB-CD 4.24Å; D183-K186 WeakPolarHBondContact O-CB 3.41Å; D183-K186 WeakPolarHBondContact O-CG 3.44Å; D183-K186 PolarHBondContact O-N 2.8Å; D183-K186 WeakPolarHBondContact OD1-CE 3.27Å; D183-K186 IonicContact OD1-NZ 3.1Å; D183-K186 PolarHBondContact OD1-NZ 3.23Å; D183-K186 IonicContact OD2-NZ 3.9Å; D183-K186 PolarHBondContact OD2-NZ 3.17Å
184	Q	62.7	Low	61.9	Low	80 Å²	80	84 Å²	84	37%	0.374	48%	0.477	S	S	.	.	G	3₁₀ helix	trans	-65.5	-28	-176	-70.7	-176.3	-1.5	0	0	113.9	K186 S187 A188 G350 R403	Q184-K186 PolarHBondContact O-N 2.78Å; Q184-S187 PolarHBondContact O-N 3.46Å; Q184-S187 PolarHBondContact O-OG 2.79Å; Q184-A188 PolarHBondContact O-N 2.95Å; Q184-G350 PolarHBondContact OE1-O 2.85Å; Q184-R403 VanDerWaalsContact NE2-NH1 3.16Å
185	W	69.7	Low	64.6	Low	52 Å²	52	76.1 Å²	76.1	20%	0.197	44%	0.435	C	S	.	.	G	3₁₀ helix	trans	-68	-19.6	174.6	73.8	-88.9	0	0	0	112.2	L154 L157 Q158 A161 A182 D183 S187 A188 P349	L154-W185 HydrophobicContact CD1-CE3 3.58Å; L154-W185 HydrophobicContact CD1-CZ3 4.22Å; L157-W185 HydrophobicContact CB-CH2 4.05Å; L157-W185 HydrophobicContact CB-CZ3 3.62Å; L157-W185 WeakPolarHBondContact O-CH2 3.47Å; Q158-W185 HydrophobicContact CB-CZ3 4.34Å; Q158-W185 HydrophobicContact CG-CE3 3.95Å; Q158-W185 HydrophobicContact CG-CZ3 3.66Å; Q158-W185 PolarHBondContact NE2-O 2.88Å; A161-W185 HydrophobicContact CB-CH2 3.78Å; A161-W185 HydrophobicContact CB-CZ2 4.19Å; A182-W185 PolarHBondContact O-NE1 2.73Å; D183-W185 VanDerWaalsContact C-N 3.26Å; D183-W185 PolarHBondContact O-N 3.15Å; W185-S187 VanDerWaalsContact C-N 3.25Å; W185-S187 PolarHBondContact O-N 2.76Å; W185-A188 PolarHBondContact O-N 3.15Å; W185-P349 HydrophobicContact CB-CB 4.06Å
186	K	69	Low	67.6	Low	70 Å²	70	68.7 Å²	68.7	30%	0.304	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-67	-25.2	176.6	-60.3	174.9	179.5	167.3	0	112.3	Q158 D183 Q184	Q158-K186 PolarHBondContact NE2-O 3.07Å; D183-K186 HydrophobicContact CB-CD 4.24Å; D183-K186 WeakPolarHBondContact O-CB 3.41Å; D183-K186 WeakPolarHBondContact O-CG 3.44Å; D183-K186 PolarHBondContact O-N 2.8Å; D183-K186 WeakPolarHBondContact OD1-CE 3.27Å; D183-K186 IonicContact OD1-NZ 3.1Å; D183-K186 PolarHBondContact OD1-NZ 3.23Å; D183-K186 IonicContact OD2-NZ 3.9Å; D183-K186 PolarHBondContact OD2-NZ 3.17Å; Q184-K186 PolarHBondContact O-N 2.78Å
187	S	71.4	Confident	70.4	Confident	108 Å²	108	63.2 Å²	63.2	76%	0.755	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.4	-3.2	176.9	61.5	0	0	0	0	114	Q184 W185	Q184-S187 PolarHBondContact O-N 3.46Å; Q184-S187 PolarHBondContact O-OG 2.79Å; W185-S187 VanDerWaalsContact C-N 3.25Å; W185-S187 PolarHBondContact O-N 2.76Å
188	A	74.2	Confident	73.2	Confident	16 Å²	16	57.3 Å²	57.3	13%	0.132	33%	0.331	C	S	.	.	S	Bend	trans	-67.6	144	-179.8	0	0	0	0	0	111.8	L154 Q158 Q184 W185 A190 P349	L154-A188 HydrophobicContact CD2-CB 3.91Å; L154-A188 WeakPolarHBondContact CD2-O 3.32Å; Q158-A188 PolarHBondContact NE2-O 2.91Å; Q184-A188 PolarHBondContact O-N 2.95Å; W185-A188 PolarHBondContact O-N 3.15Å; A188-A190 PolarHBondContact O-N 2.92Å; A188-P349 HydrophobicContact CB-CB 3.79Å
189	K	75.1	Confident	75.9	Confident	199 Å²	199	53 Å²	53	87%	0.865	30%	0.3	S	S	*	.	P	Polyproline II helix	trans	-72.4	126.6	178.9	-174.7	179.7	176.9	-177.5	0	110
190	A	78.4	Confident	78.5	Confident	28 Å²	28	49.8 Å²	49.8	23%	0.231	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-65.3	145.6	172.7	0	0	0	0	0	112.3	L154 Q155 A188	L154-A190 HydrophobicContact CB-CB 4.44Å; Q155-A190 HydrophobicContact CG-CB 3.22Å; A188-A190 PolarHBondContact O-N 2.92Å
191	A	81	Confident	81.2	Confident	37 Å²	37	41.7 Å²	41.7	31%	0.306	25%	0.247	S	C	.	.			trans	-140	145.1	171.3	0	0	0	0	0	108.2	Y152	Y152-A191 WeakPolarHBondContact CA-O 3.4Å
192	S	85.4	Confident	83.7	Confident	65 Å²	65	39.1 Å²	39.1	46%	0.455	23%	0.225	S	C	.	.			trans	-97.6	170.4	166.8	34.3	0	0	0	0	109.9	D121	D121-S192 VanDerWaalsContact CG-OG 3.26Å; D121-S192 WeakPolarHBondContact OD2-CB 3.31Å; D121-S192 PolarHBondContact OD2-OG 3.29Å
193	G	93.2	Very high	85.8	Confident	14 Å²	14	37.5 Å²	37.5	14%	0.144	21%	0.211	C	C	.	.			trans	162.1	172.9	178.3	0	0	0	0	0	111.6	E122 Y152	E122-G193 CarbonylContact O-C 3.53Å; E122-G193 VanDerWaalsContact O-CA 3.25Å; E122-G193 WeakPolarHBondContact O-CA 3.46Å; Y152-G193 VanDerWaalsContact CD2-O 3.25Å; Y152-G193 WeakPolarHBondContact CD2-O 3.46Å; Y152-G193 VanDerWaalsContact CE2-C 3.43Å; Y152-G193 VanDerWaalsContact CE2-O 3.26Å; Y152-G193 WeakPolarHBondContact CE2-O 3.26Å
194	D	95.5	Very high	87.6	Confident	24 Å²	24	34.7 Å²	34.7	13%	0.128	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	143.1	179.7	-66.9	-65.7	0	0	0	110.2	F118 G119 E122 V123 T124	F118-D194 WeakPolarHBondContact CA-OD2 3.44Å; F118-D194 HydrophobicContact CD2-CB 3.85Å; F118-D194 WeakPolarHBondContact CD2-OD1 3.39Å; F118-D194 WeakPolarHBondContact CD2-OD2 3.38Å; F118-D194 HydrophobicContact CE2-CB 3.67Å; G119-D194 PolarHBondContact N-OD2 3.46Å; E122-D194 PolarHBondContact O-N 2.86Å; V123-D194 HydrophobicContact CG1-CB 4.45Å; V123-D194 HydrophobicContact CG2-CB 4.35Å; T124-D194 PolarHBondContact N-O 3.33Å
195	L	98	Very high	89.2	Confident	1 Å²	1	34.9 Å²	34.9	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	121.2	172.1	174.4	67.9	0	0	0	110	I94 T124 V126 I145 Y148 Y152 I197	I94-L195 HydrophobicContact CB-CB 4.11Å; I94-L195 HydrophobicContact CB-CD2 4.12Å; I94-L195 HydrophobicContact CB-CG 4.23Å; I94-L195 HydrophobicContact CG1-CB 4.41Å; I94-L195 HydrophobicContact CG1-CD2 3.88Å; I94-L195 HydrophobicContact CG1-CG 4Å; I94-L195 HydrophobicContact CG2-CD2 4.42Å; I94-L195 PolarHBondContact N-O 3.39Å; T124-L195 HydrophobicContact CG2-CD1 3.89Å; T124-L195 WeakPolarHBondContact O-CA 3.49Å; V126-L195 HydrophobicContact CG2-CD1 3.82Å; I145-L195 HydrophobicContact CG1-CD2 4.29Å; Y148-L195 HydrophobicContact CD2-CD1 4.03Å; Y148-L195 HydrophobicContact CD2-CD2 3.87Å; Y148-L195 HydrophobicContact CE2-CD1 4.23Å; Y148-L195 HydrophobicContact CG-CD1 4.34Å; Y148-L195 HydrophobicContact CG-CD2 3.91Å; Y152-L195 HydrophobicContact CE2-CB 4.29Å; L195-I197 HydrophobicContact CD1-CD1 3.82Å; L195-I197 HydrophobicContact CD2-CD1 4.09Å; L195-I197 HydrophobicContact CG-CD1 3.93Å
196	I	98.7	Very high	90.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	127.8	173.8	-59.7	178.7	0	0	0	108.6	V91 W92 I93 Y108 A112 F118 V123 T124 I125 V126 I198	V91-I196 HydrophobicContact CG1-CG2 3.47Å; V91-I196 VanDerWaalsContact CG1-CG2 3.47Å; W92-I196 CarbonylContact O-C 3.49Å; W92-I196 WeakPolarHBondContact O-CA 3.25Å; I93-I196 HydrophobicContact CG1-CG1 4.32Å; Y108-I196 HydrophobicContact CD2-CD1 4.04Å; Y108-I196 HydrophobicContact CD2-CG2 4.23Å; Y108-I196 HydrophobicContact CE2-CD1 3.85Å; Y108-I196 HydrophobicContact CE2-CG2 4.37Å; A112-I196 HydrophobicContact CB-CD1 4.38Å; F118-I196 HydrophobicContact CE2-CD1 3.75Å; F118-I196 HydrophobicContact CE2-CG1 4.24Å; F118-I196 HydrophobicContact CZ-CD1 3.7Å; V123-I196 HydrophobicContact CG1-CD1 4.37Å; T124-I196 PolarHBondContact O-N 3.34Å; I125-I196 CarbonylContact C-O 3.59Å; I125-I196 WeakPolarHBondContact CA-O 3.46Å; I125-I196 HydrophobicContact CG1-CB 4.25Å; I125-I196 HydrophobicContact CG1-CD1 4.38Å; I125-I196 HydrophobicContact CG2-CG2 4.49Å; V126-I196 PolarHBondContact N-O 3.34Å; I196-I198 HydrophobicContact CG2-CG1 4.08Å
197	I	98.8	Very high	91.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	110.7	170.6	-50.1	-57.1	0	0	0	108.3	V91 W92 I94 V126 T128 M141 I145 L195	V91-I197 CarbonylContact C-O 3.59Å; V91-I197 VanDerWaalsContact CA-O 3.29Å; V91-I197 WeakPolarHBondContact CA-O 3.43Å; W92-I197 HydrophobicContact CB-CB 4.29Å; W92-I197 HydrophobicContact CE3-CB 4.03Å; W92-I197 HydrophobicContact CE3-CG1 4.41Å; W92-I197 HydrophobicContact CE3-CG2 3.98Å; W92-I197 HydrophobicContact CZ3-CG2 4.36Å; W92-I197 PolarHBondContact N-O 3.37Å; W92-I197 PolarHBondContact O-N 3.09Å; I94-I197 HydrophobicContact CD1-CG1 4.38Å; I94-I197 HydrophobicContact CG1-CG1 4.12Å; V126-I197 HydrophobicContact CB-CD1 3.71Å; V126-I197 HydrophobicContact CG1-CD1 4.42Å; V126-I197 HydrophobicContact CG2-CD1 3.82Å; T128-I197 HydrophobicContact CG2-CG2 3.84Å; M141-I197 HydrophobicContact CE-CG2 4.27Å; M141-I197 HydrophobicContact SD-CD1 3.68Å; M141-I197 HydrophobicContact SD-CG1 4.07Å; M141-I197 HydrophobicContact SD-CG2 3.87Å; I145-I197 HydrophobicContact CD1-CG1 4.26Å; I145-I197 HydrophobicContact CG1-CD1 4.38Å; I145-I197 HydrophobicContact CG1-CG1 4.28Å; L195-I197 HydrophobicContact CD1-CD1 3.82Å; L195-I197 HydrophobicContact CD2-CD1 4.09Å; L195-I197 HydrophobicContact CG-CD1 3.93Å
198	I	98.8	Very high	92.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	105.1	168.8	-59.7	178.4	0	0	0	106.9	V89 V91 L105 Y108 I125 V126 L127 T128 I196 L200 I222	V89-I198 HydrophobicContact CG1-CG2 3.6Å; V91-I198 HydrophobicContact CG1-CG1 4.25Å; V91-I198 HydrophobicContact CG2-CB 4.46Å; V91-I198 HydrophobicContact CG2-CG1 4.07Å; V91-I198 HydrophobicContact CG2-CG2 4.36Å; L105-I198 HydrophobicContact CD1-CD1 3.86Å; L105-I198 HydrophobicContact CD1-CG1 4.42Å; L105-I198 HydrophobicContact CD1-CG2 4.02Å; Y108-I198 HydrophobicContact CE1-CD1 4.43Å; I125-I198 HydrophobicContact CG2-CD1 3.58Å; I125-I198 HydrophobicContact CG2-CG1 4.03Å; V126-I198 PolarHBondContact O-N 2.95Å; L127-I198 HydrophobicContact CD2-CB 3.72Å; L127-I198 HydrophobicContact CD2-CD1 3.71Å; L127-I198 HydrophobicContact CD2-CG1 4.14Å; L127-I198 HydrophobicContact CD2-CG2 4.12Å; T128-I198 PolarHBondContact N-O 3.44Å; T128-I198 VanDerWaalsContact N-O 3.08Å; I196-I198 HydrophobicContact CG2-CG1 4.08Å; I198-L200 PolarHBondContact O-N 2.8Å; I198-I222 HydrophobicContact CD1-CD1 4.27Å; I198-I222 HydrophobicContact CG2-CD1 4.06Å
199	D	98.6	Very high	93.8	Very high	11 Å²	11	35.7 Å²	35.7	6%	0.059	19%	0.192	C	C	.	.			trans	-81.9	57	-173.1	-166	13.9	0	0	0	112.2	P90 T128 G201 S202	P90-D199 HydrophobicContact CB-CB 4.33Å; P90-D199 PolarHBondContact O-N 2.66Å; T128-D199 VanDerWaalsContact OG1-C 3.26Å; T128-D199 VanDerWaalsContact OG1-CA 3.27Å; T128-D199 WeakPolarHBondContact OG1-CA 3.25Å; T128-D199 PolarHBondContact OG1-OD1 3.36Å; D199-G201 PolarHBondContact O-N 3.3Å; D199-S202 WeakPolarHBondContact O-CB 3.28Å; D199-S202 PolarHBondContact O-N 3.04Å; D199-S202 VanDerWaalsContact O-N 3.1Å; D199-S202 PolarHBondContact O-OG 3.01Å; D199-S202 PolarHBondContact OD1-N 3.37Å; D199-S202 WeakPolarHBondContact OD2-CB 3.44Å
200	L	98.8	Very high	94.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-57.8	-37.3	178.7	178.5	64.8	0	0	0	111.8	P84 V89 T128 I198 S202 T203 T218 V250	P84-L200 HydrophobicContact CG-CD1 3.5Å; P84-L200 VanDerWaalsContact CG-CD1 3.5Å; V89-L200 HydrophobicContact CG2-CD1 4.25Å; T128-L200 WeakPolarHBondContact O-CB 3.34Å; T128-L200 PolarHBondContact OG1-N 3.1Å; I198-L200 PolarHBondContact O-N 2.8Å; L200-S202 PolarHBondContact O-N 3.29Å; L200-T203 WeakPolarHBondContact O-CB 3.37Å; L200-T203 PolarHBondContact O-N 3.45Å; L200-T203 PolarHBondContact O-OG1 3.21Å; L200-T218 HydrophobicContact CD1-CG2 3.96Å; L200-T218 HydrophobicContact CD2-CG2 3.84Å; L200-V250 HydrophobicContact CD2-CB 4.49Å; L200-V250 HydrophobicContact CD2-CG1 4.12Å; L200-V250 HydrophobicContact CD2-CG2 4.2Å
201	G	98.4	Very high	95.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-57.1	-28.5	175.4	0	0	0	0	0	114.1	T128 L130 D199 T203 L204	T128-G201 PolarHBondContact O-N 3.16Å; T128-G201 VanDerWaalsContact O-N 3.08Å; T128-G201 WeakPolarHBondContact OG1-CA 3.48Å; T128-G201 PolarHBondContact OG1-N 3.21Å; L130-G201 CarbonylContact O-C 3.49Å; L130-G201 VanDerWaalsContact O-CA 3.31Å; L130-G201 WeakPolarHBondContact O-CA 3.22Å; D199-G201 PolarHBondContact O-N 3.3Å; G201-T203 PolarHBondContact O-N 3Å; G201-L204 WeakPolarHBondContact O-CB 3.29Å; G201-L204 PolarHBondContact O-N 3.25Å; G201-L204 VanDerWaalsContact O-N 3.13Å
202	S	98.1	Very high	96.2	Very high	14 Å²	14	24.4 Å²	24.4	10%	0.098	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-62.7	-22.4	173.2	72.2	0	0	0	0	114.2	P90 D199 L200	P90-S202 WeakPolarHBondContact CD-OG 3.32Å; D199-S202 WeakPolarHBondContact O-CB 3.28Å; D199-S202 PolarHBondContact O-N 3.04Å; D199-S202 VanDerWaalsContact O-N 3.1Å; D199-S202 PolarHBondContact O-OG 3.01Å; D199-S202 PolarHBondContact OD1-N 3.37Å; D199-S202 WeakPolarHBondContact OD2-CB 3.44Å; L200-S202 PolarHBondContact O-N 3.29Å
203	T	98.4	Very high	96.7	Very high	9 Å²	9	21.4 Å²	21.4	6%	0.055	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-85.6	-17.4	178.2	74.7	0	0	0	0	113	P84 V89 L200 G201 T205 R209	P84-T203 HydrophobicContact CB-CG2 3.89Å; V89-T203 HydrophobicContact CG2-CG2 3.85Å; L200-T203 WeakPolarHBondContact O-CB 3.37Å; L200-T203 PolarHBondContact O-N 3.45Å; L200-T203 PolarHBondContact O-OG1 3.21Å; G201-T203 PolarHBondContact O-N 3Å; T203-T205 PolarHBondContact O-N 3.1Å; T203-R209 WeakPolarHBondContact O-CD 3.47Å; T203-R209 PolarHBondContact O-NH1 2.93Å
204	L	97.5	Very high	96.8	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.105	C	C	.	.			trans	-82.4	55.4	177.1	-51.1	-176.2	0	0	0	110.3	W50 F82 G201 N206 Y210 L213 I246	W50-L204 PolarHBondContact NE1-O 3.03Å; F82-L204 HydrophobicContact CD1-CD2 4.28Å; F82-L204 HydrophobicContact CE1-CD2 3.85Å; G201-L204 WeakPolarHBondContact O-CB 3.29Å; G201-L204 PolarHBondContact O-N 3.25Å; G201-L204 VanDerWaalsContact O-N 3.13Å; L204-N206 PolarHBondContact O-N 2.92Å; L204-N206 VanDerWaalsContact O-N 3.09Å; L204-Y210 HydrophobicContact CD1-CD2 3.92Å; L204-L213 HydrophobicContact CD2-CD1 4.11Å; L204-L213 HydrophobicContact CD2-CD2 4.42Å; L204-I246 HydrophobicContact CD1-CG2 3.86Å
205	T	95.8	Very high	96.9	Very high	85 Å²	85	20.5 Å²	20.5	52%	0.521	10%	0.102	S	C	.	.			trans	-64.3	-18	-169.1	54.3	0	0	0	0	114.6	T203	T203-T205 PolarHBondContact O-N 3.1Å
206	N	95.3	Very high	96.7	Very high	70 Å²	70	23 Å²	23	37%	0.374	12%	0.115	S	C	.	.	S	Bend	trans	-142.7	164.5	172.7	58.4	52.8	0	0	0	110.2	W50 L204 K208 R209 Y210	W50-N206 VanDerWaalsContact NE1-C 3.33Å; L204-N206 PolarHBondContact O-N 2.92Å; L204-N206 VanDerWaalsContact O-N 3.09Å; N206-K208 VanDerWaalsContact C-N 3.27Å; N206-K208 PolarHBondContact O-N 3.3Å; N206-K208 PolarHBondContact OD1-N 2.73Å; N206-R209 PolarHBondContact O-N 2.99Å; N206-R209 PolarHBondContact OD1-N 3.04Å; N206-Y210 PolarHBondContact O-N 3.09Å
207	F	95	Very high	96.6	Very high	1 Å²	1	27 Å²	27	0%	0.004	14%	0.137	C	C	.	.	H	α-helix	trans	-62.7	-34.2	-177.1	-171.2	-102.3	0	0	0	112.5	L45 I48 W50 L53 I65 R209 Y210 A211 L278	L45-F207 HydrophobicContact CD2-CD1 4.11Å; L45-F207 HydrophobicContact CD2-CE1 3.89Å; I48-F207 HydrophobicContact CB-CB 4.4Å; I48-F207 HydrophobicContact CB-CD1 3.73Å; I48-F207 HydrophobicContact CB-CE1 4.27Å; I48-F207 HydrophobicContact CB-CG 4.13Å; I48-F207 HydrophobicContact CD1-CD1 4.33Å; I48-F207 HydrophobicContact CD1-CE1 4.05Å; I48-F207 HydrophobicContact CG2-CB 4.02Å; I48-F207 HydrophobicContact CG2-CD1 3.53Å; I48-F207 HydrophobicContact CG2-CD2 3.99Å; I48-F207 HydrophobicContact CG2-CE1 3.95Å; I48-F207 HydrophobicContact CG2-CE2 4.37Å; I48-F207 HydrophobicContact CG2-CG 3.55Å; I48-F207 HydrophobicContact CG2-CZ 4.36Å; I48-F207 WeakPolarHBondContact O-CB 3.15Å; W50-F207 HydrophobicContact CE3-CD2 4.21Å; W50-F207 AromaticContact CH2-CD2 3.91Å; W50-F207 HydrophobicContact CH2-CD2 3.91Å; W50-F207 HydrophobicContact CH2-CE2 4.43Å; W50-F207 HydrophobicContact CZ2-CD2 4.41Å; W50-F207 AromaticContact CZ3-CD2 3.8Å; W50-F207 HydrophobicContact CZ3-CD2 3.8Å; W50-F207 HydrophobicContact CZ3-CE2 4.31Å; L53-F207 HydrophobicContact CD1-CD2 3.52Å; L53-F207 HydrophobicContact CD1-CE2 3.59Å; L53-F207 HydrophobicContact CD1-CG 4.38Å; L53-F207 HydrophobicContact CD1-CZ 4.49Å; I65-F207 HydrophobicContact CD1-CE1 4.31Å; I65-F207 HydrophobicContact CD1-CE2 3.56Å; I65-F207 HydrophobicContact CD1-CZ 3.31Å; F207-R209 PolarHBondContact O-N 3.14Å; F207-Y210 HydrophobicContact CD2-CD1 4.13Å; F207-Y210 AromaticContact CE2-CD1 3.8Å; F207-Y210 HydrophobicContact CE2-CD1 3.8Å; F207-Y210 HydrophobicContact CE2-CE1 4.05Å; F207-Y210 HydrophobicContact CZ-CD1 4.3Å; F207-Y210 HydrophobicContact CZ-CE1 4.48Å; F207-Y210 WeakPolarHBondContact O-CB 3.48Å; F207-Y210 PolarHBondContact O-N 2.97Å; F207-Y210 VanDerWaalsContact O-N 3.15Å; F207-A211 HydrophobicContact CD1-CB 4.47Å; F207-A211 HydrophobicContact CE1-CB 4.27Å; F207-A211 WeakPolarHBondContact O-CB 3.36Å; F207-A211 PolarHBondContact O-N 2.77Å; F207-L278 HydrophobicContact CE1-CD1 3.85Å; F207-L278 HydrophobicContact CZ-CD1 3.73Å
208	K	94.3	Very high	96.6	Very high	95 Å²	95	27 Å²	27	41%	0.413	14%	0.137	S	C	.	.	H	α-helix	trans	-58.9	-44.2	175.8	-179.2	173.9	-179.4	175.5	0	112.3	N46 N206 Y210 A211 M212	N46-K208 WeakPolarHBondContact OD1-CD 3.09Å; N206-K208 VanDerWaalsContact C-N 3.27Å; N206-K208 PolarHBondContact O-N 3.3Å; N206-K208 PolarHBondContact OD1-N 2.73Å; K208-Y210 VanDerWaalsContact C-N 3.3Å; K208-Y210 PolarHBondContact O-N 3.19Å; K208-A211 PolarHBondContact O-N 2.92Å; K208-M212 HydrophobicContact CG-CG 4.09Å; K208-M212 VanDerWaalsContact O-CB 3.25Å; K208-M212 WeakPolarHBondContact O-CB 3.48Å; K208-M212 WeakPolarHBondContact O-CG 3.41Å; K208-M212 PolarHBondContact O-N 3.31Å
209	R	95.9	Very high	96.6	Very high	96 Å²	96	27 Å²	27	36%	0.362	14%	0.137	S	C	.	.	H	α-helix	trans	-62.4	-38	175.4	-77.4	-175.8	174.6	-164.1	0.7	112.4	F82 T203 N206 F207 L213	F82-R209 HydrophobicContact CD1-CB 3.83Å; F82-R209 HydrophobicContact CD1-CG 4.13Å; F82-R209 WeakPolarHBondContact CD1-O 3.26Å; F82-R209 HydrophobicContact CD2-CG 3.97Å; F82-R209 HydrophobicContact CE1-CB 3.98Å; F82-R209 HydrophobicContact CE1-CG 4.22Å; F82-R209 HydrophobicContact CE2-CG 4.06Å; F82-R209 HydrophobicContact CG-CB 4.15Å; F82-R209 HydrophobicContact CG-CG 4.01Å; F82-R209 HydrophobicContact CZ-CB 4.41Å; F82-R209 HydrophobicContact CZ-CG 4.19Å; T203-R209 WeakPolarHBondContact O-CD 3.47Å; T203-R209 PolarHBondContact O-NH1 2.93Å; N206-R209 PolarHBondContact O-N 2.99Å; N206-R209 PolarHBondContact OD1-N 3.04Å; F207-R209 PolarHBondContact O-N 3.14Å; R209-L213 PolarHBondContact O-N 2.58Å; R209-L213 VanDerWaalsContact O-N 3.14Å
210	Y	96.4	Very high	96.5	Very high	7 Å²	7	27.9 Å²	27.9	3%	0.027	15%	0.146	C	C	.	.	H	α-helix	trans	-63.9	-49.1	172.9	168.7	-84.4	0	0	0	111.9	W50 L204 N206 F207 K208 M212 L213 I246 A275 M306	W50-Y210 HydrophobicContact CH2-CD1 4.06Å; W50-Y210 AromaticContact CH2-CD2 3.61Å; W50-Y210 HydrophobicContact CH2-CD2 3.61Å; W50-Y210 HydrophobicContact CH2-CE2 4.16Å; W50-Y210 AromaticContact CH2-CG 3.57Å; W50-Y210 HydrophobicContact CH2-CG 3.57Å; W50-Y210 AromaticContact CZ2-CD2 3.94Å; W50-Y210 HydrophobicContact CZ2-CD2 3.94Å; W50-Y210 AromaticContact CZ2-CG 3.79Å; W50-Y210 HydrophobicContact CZ2-CG 3.79Å; L204-Y210 HydrophobicContact CD1-CD2 3.92Å; N206-Y210 PolarHBondContact O-N 3.09Å; F207-Y210 HydrophobicContact CD2-CD1 4.13Å; F207-Y210 AromaticContact CE2-CD1 3.8Å; F207-Y210 HydrophobicContact CE2-CD1 3.8Å; F207-Y210 HydrophobicContact CE2-CE1 4.05Å; F207-Y210 HydrophobicContact CZ-CD1 4.3Å; F207-Y210 HydrophobicContact CZ-CE1 4.48Å; F207-Y210 WeakPolarHBondContact O-CB 3.48Å; F207-Y210 PolarHBondContact O-N 2.97Å; F207-Y210 VanDerWaalsContact O-N 3.15Å; K208-Y210 VanDerWaalsContact C-N 3.3Å; K208-Y210 PolarHBondContact O-N 3.19Å; Y210-M212 VanDerWaalsContact C-N 3.29Å; Y210-M212 PolarHBondContact O-N 3.03Å; Y210-L213 PolarHBondContact O-N 2.71Å; Y210-I246 HydrophobicContact CD2-CB 4.18Å; Y210-I246 HydrophobicContact CD2-CG2 3.76Å; Y210-I246 HydrophobicContact CE2-CB 3.62Å; Y210-I246 HydrophobicContact CE2-CG2 3.6Å; Y210-A275 VanDerWaalsContact OH-CB 3.27Å; Y210-A275 WeakPolarHBondContact OH-CB 3.29Å; Y210-M306 HydrophobicContact CE1-CE 3.96Å; Y210-M306 HydrophobicContact CE2-CE 4.07Å; Y210-M306 WeakPolarHBondContact OH-CE 3.32Å
211	A	94.3	Very high	96.5	Very high	2 Å²	2	29.1 Å²	29.1	2%	0.017	15%	0.152	C	C	.	.	H	α-helix	trans	-62.8	-36.1	-179	0	0	0	0	0	112.7	L45 F207 K208 L278 S279	L45-A211 HydrophobicContact CD1-CB 4.22Å; L45-A211 HydrophobicContact CD2-CB 3.78Å; F207-A211 HydrophobicContact CD1-CB 4.47Å; F207-A211 HydrophobicContact CE1-CB 4.27Å; F207-A211 WeakPolarHBondContact O-CB 3.36Å; F207-A211 PolarHBondContact O-N 2.77Å; K208-A211 PolarHBondContact O-N 2.92Å; A211-L278 HydrophobicContact CB-CB 4.22Å; A211-L278 HydrophobicContact CB-CD1 3.5Å; A211-L278 HydrophobicContact CB-CG 4.42Å; A211-S279 VanDerWaalsContact O-CB 3.3Å; A211-S279 WeakPolarHBondContact O-CB 3.19Å; A211-S279 PolarHBondContact O-N 2.9Å; A211-S279 PolarHBondContact O-OG 2.99Å
212	M	94.4	Very high	96.5	Very high	19 Å²	19	29.1 Å²	29.1	9%	0.094	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	10.3	-174	-55.9	-58.5	-81.7	0	0	113.6	L45 L78 T79 S81 F82 K208 Y210 D214 S279	L45-M212 HydrophobicContact CD1-CG 4.39Å; L45-M212 HydrophobicContact CD1-SD 3.95Å; L78-M212 HydrophobicContact CB-SD 4.21Å; L78-M212 HydrophobicContact CD2-CE 4.45Å; L78-M212 HydrophobicContact CD2-SD 4.01Å; T79-M212 WeakPolarHBondContact O-CE 3.43Å; S81-M212 PolarHBondContact N-O 3.41Å; F82-M212 PolarHBondContact N-O 3.22Å; K208-M212 HydrophobicContact CG-CG 4.09Å; K208-M212 VanDerWaalsContact O-CB 3.25Å; K208-M212 WeakPolarHBondContact O-CB 3.48Å; K208-M212 WeakPolarHBondContact O-CG 3.41Å; K208-M212 PolarHBondContact O-N 3.31Å; Y210-M212 VanDerWaalsContact C-N 3.29Å; Y210-M212 PolarHBondContact O-N 3.03Å; M212-D214 PolarHBondContact O-N 3.31Å; M212-S279 WeakPolarHBondContact CA-OG 3.31Å
213	L	96	Very high	96.6	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.01	15%	0.147	C	C	.	.	B	Isolated β-bridge	trans	-61.3	123.3	179.5	-176.3	69.6	0	0	0	110.4	F82 L204 R209 Y210 V215 T218 I246 V250	F82-L213 HydrophobicContact CD1-CD1 3.8Å; F82-L213 HydrophobicContact CE1-CD1 4.17Å; F82-L213 WeakPolarHBondContact O-CA 3.49Å; L204-L213 HydrophobicContact CD2-CD1 4.11Å; L204-L213 HydrophobicContact CD2-CD2 4.42Å; R209-L213 PolarHBondContact O-N 2.58Å; R209-L213 VanDerWaalsContact O-N 3.14Å; Y210-L213 PolarHBondContact O-N 2.71Å; L213-V215 VanDerWaalsContact C-N 3.34Å; L213-V215 PolarHBondContact O-N 3.22Å; L213-T218 HydrophobicContact CD1-CG2 4.41Å; L213-I246 HydrophobicContact CD2-CG1 3.92Å; L213-I246 HydrophobicContact CD2-CG2 3.94Å; L213-V250 HydrophobicContact CD2-CG2 4.09Å
214	D	96.2	Very high	96.6	Very high	8 Å²	8	31.4 Å²	31.4	4%	0.043	16%	0.16	C	C	.	.			trans	-78.4	89.6	170.6	-170.4	-17.2	0	0	0	109.6	P80 F82 V83 M212 L216 N217 T218 R281	P80-D214 HydrophobicContact CB-CB 3.66Å; F82-D214 PolarHBondContact O-N 2.97Å; V83-D214 HydrophobicContact CG2-CB 3.68Å; M212-D214 PolarHBondContact O-N 3.31Å; D214-L216 PolarHBondContact O-N 3.23Å; D214-L216 PolarHBondContact OD1-N 3.42Å; D214-N217 HydrophobicContact CB-CB 4.34Å; D214-N217 PolarHBondContact O-N 2.93Å; D214-N217 PolarHBondContact OD1-N 3.43Å; D214-N217 PolarHBondContact OD2-ND2 3.06Å; D214-T218 VanDerWaalsContact O-CB 3.23Å; D214-T218 WeakPolarHBondContact O-CB 3.34Å; D214-T218 PolarHBondContact O-N 3.31Å; D214-T218 PolarHBondContact O-OG1 3.5Å; D214-R281 IonicContact OD1-NH1 3.83Å; D214-R281 PolarHBondContact OD1-NH1 3.47Å; D214-R281 IonicContact OD1-NH2 3.71Å; D214-R281 IonicContact OD2-CZ 3.17Å; D214-R281 IonicContact OD2-NH1 3.73Å; D214-R281 PolarHBondContact OD2-NH1 3.39Å; D214-R281 IonicContact OD2-NH2 2.76Å; D214-R281 PolarHBondContact OD2-NH2 3.32Å
215	V	96.4	Very high	96.6	Very high	11 Å²	11	32 Å²	32	7%	0.067	16%	0.164	C	C	.	.	H	α-helix	trans	-51.9	-40.8	180	170.1	0	0	0	0	112	L213 G219 I246 H249 V250 A253 V277	L213-V215 VanDerWaalsContact C-N 3.34Å; L213-V215 PolarHBondContact O-N 3.22Å; V215-G219 WeakPolarHBondContact O-CA 3.49Å; V215-G219 PolarHBondContact O-N 2.75Å; V215-I246 HydrophobicContact CG2-CD1 4.25Å; V215-I246 HydrophobicContact CG2-CG1 4.34Å; V215-H249 HydrophobicContact CG1-CB 3.55Å; V215-H249 WeakPolarHBondContact CG1-O 3.2Å; V215-H249 HydrophobicContact CG2-CB 4.33Å; V215-V250 HydrophobicContact CG1-CG2 4.44Å; V215-A253 HydrophobicContact CG1-CB 4.47Å; V215-V277 HydrophobicContact CG2-CG1 4.36Å
216	L	95.4	Very high	96.8	Very high	52 Å²	52	28 Å²	28	27%	0.272	14%	0.139	S	C	.	.	H	α-helix	trans	-72.9	-48.3	-174.7	-64.3	178	0	0	0	111.5	D214 G219 A220 A253 I284	D214-L216 PolarHBondContact O-N 3.23Å; D214-L216 PolarHBondContact OD1-N 3.42Å; L216-G219 PolarHBondContact O-N 3.15Å; L216-A220 WeakPolarHBondContact O-CB 3.41Å; L216-A220 PolarHBondContact O-N 2.91Å; L216-A253 HydrophobicContact CD2-CB 4.21Å; L216-I284 HydrophobicContact CD1-CB 4.32Å; L216-I284 HydrophobicContact CD1-CD1 4.18Å; L216-I284 HydrophobicContact CD1-CG2 3.54Å
217	N	96.5	Very high	96.9	Very high	85 Å²	85	25.2 Å²	25.2	46%	0.455	12%	0.124	S	C	.	.	H	α-helix	trans	-69.8	-36.6	178.9	-76.8	-31.5	0	0	0	111.9	V83 D214 G219 A220 M221	V83-N217 HydrophobicContact CG2-CB 3.73Å; D214-N217 HydrophobicContact CB-CB 4.34Å; D214-N217 PolarHBondContact O-N 2.93Å; D214-N217 PolarHBondContact OD1-N 3.43Å; D214-N217 PolarHBondContact OD2-ND2 3.06Å; N217-G219 VanDerWaalsContact C-N 3.35Å; N217-A220 PolarHBondContact O-N 3.26Å; N217-M221 PolarHBondContact O-N 3.27Å
218	T	98.1	Very high	97.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-65.2	-40.8	172.6	-52.2	0	0	0	0	110.8	P84 L200 L213 D214 M221 I222 V250	P84-T218 HydrophobicContact CG-CG2 4.47Å; L200-T218 HydrophobicContact CD1-CG2 3.96Å; L200-T218 HydrophobicContact CD2-CG2 3.84Å; L213-T218 HydrophobicContact CD1-CG2 4.41Å; D214-T218 VanDerWaalsContact O-CB 3.23Å; D214-T218 WeakPolarHBondContact O-CB 3.34Å; D214-T218 PolarHBondContact O-N 3.31Å; D214-T218 PolarHBondContact O-OG1 3.5Å; T218-M221 HydrophobicContact CG2-CE 3.85Å; T218-M221 WeakPolarHBondContact O-CB 3.29Å; T218-M221 PolarHBondContact O-N 2.75Å; T218-I222 WeakPolarHBondContact O-CG1 2.81Å; T218-I222 PolarHBondContact O-N 3.5Å; T218-I222 VanDerWaalsContact O-N 3.09Å; T218-V250 HydrophobicContact CG2-CG1 3.87Å; T218-V250 HydrophobicContact CG2-CG2 4.14Å
219	G	98.2	Very high	97.3	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-63.8	-41.3	174	0	0	0	0	0	112.3	V215 L216 N217 M221 I222 G223 V250 A254	V215-G219 WeakPolarHBondContact O-CA 3.49Å; V215-G219 PolarHBondContact O-N 2.75Å; L216-G219 PolarHBondContact O-N 3.15Å; N217-G219 VanDerWaalsContact C-N 3.35Å; G219-M221 VanDerWaalsContact C-N 3.31Å; G219-M221 PolarHBondContact O-N 2.98Å; G219-I222 PolarHBondContact O-N 3.41Å; G219-G223 PolarHBondContact O-N 3.43Å; G219-V250 WeakPolarHBondContact CA-O 3.02Å; G219-A254 VanDerWaalsContact O-CA 3.27Å; G219-A254 WeakPolarHBondContact O-CA 3.05Å; G219-A254 WeakPolarHBondContact O-CB 3.42Å
220	A	97.9	Very high	97.4	Very high	30 Å²	30	19.9 Å²	19.9	25%	0.248	11%	0.108	C	C	.	.	H	α-helix	trans	-62.4	-39.1	175.7	0	0	0	0	0	112.2	L216 N217 G223 Q224 K257	L216-A220 WeakPolarHBondContact O-CB 3.41Å; L216-A220 PolarHBondContact O-N 2.91Å; N217-A220 PolarHBondContact O-N 3.26Å; A220-G223 PolarHBondContact O-N 3.17Å; A220-Q224 PolarHBondContact O-N 3.19Å; A220-K257 HydrophobicContact CB-CD 4.42Å; A220-K257 HydrophobicContact CB-CG 4.38Å
221	M	98.5	Very high	97.5	Very high	25 Å²	25	25.4 Å²	25.4	12%	0.123	14%	0.138	C	C	.	.	H	α-helix	trans	-60.3	-46.7	173	173.8	-170	68.6	0	0	111.8	P84 P86 L105 N217 T218 G219 Q224	P84-M221 HydrophobicContact CG-CE 4.36Å; P86-M221 HydrophobicContact CB-SD 4.25Å; P86-M221 HydrophobicContact CG-CG 3.9Å; P86-M221 HydrophobicContact CG-SD 3.6Å; L105-M221 HydrophobicContact CD2-CE 3.52Å; L105-M221 HydrophobicContact CD2-CG 3.91Å; L105-M221 HydrophobicContact CD2-SD 3.69Å; N217-M221 PolarHBondContact O-N 3.27Å; T218-M221 HydrophobicContact CG2-CE 3.85Å; T218-M221 WeakPolarHBondContact O-CB 3.29Å; T218-M221 PolarHBondContact O-N 2.75Å; G219-M221 VanDerWaalsContact C-N 3.31Å; G219-M221 PolarHBondContact O-N 2.98Å; M221-Q224 PolarHBondContact O-N 3.38Å
222	I	98.7	Very high	97.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-68	-41	176.5	-60.8	-66.5	0	0	0	111.1	L105 L127 I198 T218 G219 Q224 T225 L226 V250 A254	L105-I222 HydrophobicContact CD1-CD1 3.83Å; L105-I222 HydrophobicContact CD2-CD1 3.73Å; L105-I222 HydrophobicContact CG-CD1 4.46Å; L127-I222 HydrophobicContact CD1-CG1 4.48Å; L127-I222 HydrophobicContact CD1-CG2 4.2Å; L127-I222 HydrophobicContact CD2-CD1 4.29Å; L127-I222 HydrophobicContact CD2-CG2 4.21Å; I198-I222 HydrophobicContact CD1-CD1 4.27Å; I198-I222 HydrophobicContact CG2-CD1 4.06Å; T218-I222 WeakPolarHBondContact O-CG1 2.81Å; T218-I222 PolarHBondContact O-N 3.5Å; T218-I222 VanDerWaalsContact O-N 3.09Å; G219-I222 PolarHBondContact O-N 3.41Å; I222-Q224 VanDerWaalsContact C-N 3.25Å; I222-Q224 PolarHBondContact O-N 3.4Å; I222-T225 PolarHBondContact O-N 3.26Å; I222-T225 PolarHBondContact O-OG1 3.23Å; I222-L226 PolarHBondContact O-N 2.86Å; I222-L226 VanDerWaalsContact O-N 3.15Å; I222-V250 HydrophobicContact CG1-CG1 3.99Å; I222-A254 HydrophobicContact CB-CB 3.97Å; I222-A254 HydrophobicContact CG2-CB 3.85Å
223	G	98.6	Very high	97.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-58.7	-38.3	177.8	0	0	0	0	0	112.1	G219 A220 T225 L226 I227	G219-G223 PolarHBondContact O-N 3.43Å; A220-G223 PolarHBondContact O-N 3.17Å; G223-T225 VanDerWaalsContact C-N 3.33Å; G223-T225 PolarHBondContact O-N 3.37Å; G223-L226 WeakPolarHBondContact O-CB 3.38Å; G223-L226 PolarHBondContact O-N 2.95Å; G223-I227 WeakPolarHBondContact O-CG1 3.4Å; G223-I227 PolarHBondContact O-N 3.34Å; G223-I227 VanDerWaalsContact O-N 3.07Å
224	Q	98.6	Very high	97.8	Very high	72 Å²	72	30.5 Å²	30.5	34%	0.336	18%	0.176	S	C	.	.	H	α-helix	trans	-60.4	-41.9	174.5	-172.3	58.4	57.3	0	0	112.1	A220 M221 I222 L226 I227 D228	A220-Q224 PolarHBondContact O-N 3.19Å; M221-Q224 PolarHBondContact O-N 3.38Å; I222-Q224 VanDerWaalsContact C-N 3.25Å; I222-Q224 PolarHBondContact O-N 3.4Å; Q224-L226 VanDerWaalsContact C-N 3.3Å; Q224-L226 PolarHBondContact O-N 3.26Å; Q224-I227 WeakPolarHBondContact O-CB 3.19Å; Q224-I227 PolarHBondContact O-N 2.99Å; Q224-D228 PolarHBondContact NE2-OD1 3.35Å; Q224-D228 PolarHBondContact O-N 2.82Å
225	T	98.6	Very high	97.9	Very high	12 Å²	12	32.7 Å²	32.7	7%	0.074	19%	0.191	C	C	.	.	H	α-helix	trans	-71.3	-26.7	179.6	72.4	0	0	0	0	112.9	L105 Y108 I222 G223 L229	L105-T225 HydrophobicContact CD1-CG2 4.02Å; L105-T225 HydrophobicContact CG-CG2 4.14Å; Y108-T225 VanDerWaalsContact CE1-CB 3.44Å; Y108-T225 HydrophobicContact CE1-CG2 3.92Å; Y108-T225 WeakPolarHBondContact CE1-OG1 3.27Å; Y108-T225 WeakPolarHBondContact OH-CB 3.38Å; Y108-T225 PolarHBondContact OH-OG1 2.93Å; I222-T225 PolarHBondContact O-N 3.26Å; I222-T225 PolarHBondContact O-OG1 3.23Å; G223-T225 VanDerWaalsContact C-N 3.33Å; G223-T225 PolarHBondContact O-N 3.37Å; T225-L229 WeakPolarHBondContact O-CB 3.46Å; T225-L229 PolarHBondContact O-N 2.8Å
226	L	98.8	Very high	98	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-68.3	-40	171.2	-62.2	175.2	0	0	0	111.4	I125 I222 G223 Q224 L229 T230 L241 A254 Y258 L266	I125-L226 HydrophobicContact CD1-CD2 3.52Å; I222-L226 PolarHBondContact O-N 2.86Å; I222-L226 VanDerWaalsContact O-N 3.15Å; G223-L226 WeakPolarHBondContact O-CB 3.38Å; G223-L226 PolarHBondContact O-N 2.95Å; Q224-L226 VanDerWaalsContact C-N 3.3Å; Q224-L226 PolarHBondContact O-N 3.26Å; L226-L229 WeakPolarHBondContact O-CB 3.44Å; L226-L229 PolarHBondContact O-N 3.13Å; L226-T230 WeakPolarHBondContact O-CG2 3.38Å; L226-T230 PolarHBondContact O-N 3.12Å; L226-T230 PolarHBondContact O-OG1 3.28Å; L226-L241 HydrophobicContact CD1-CD2 4.07Å; L226-A254 HydrophobicContact CD1-CB 4.24Å; L226-Y258 HydrophobicContact CB-CD2 3.86Å; L226-Y258 HydrophobicContact CB-CE2 4.42Å; L226-L266 HydrophobicContact CD1-CD1 3.74Å; L226-L266 HydrophobicContact CD1-CD2 4.48Å
227	I	98.8	Very high	98.1	Very high	13 Å²	13	36.1 Å²	36.1	7%	0.067	20%	0.204	C	C	.	.	H	α-helix	trans	-62.7	-45	173.7	-65.4	164.7	0	0	0	110.4	G223 Q224 L229 T230 N231 Y258 Q261 T262	G223-I227 WeakPolarHBondContact O-CG1 3.4Å; G223-I227 PolarHBondContact O-N 3.34Å; G223-I227 VanDerWaalsContact O-N 3.07Å; Q224-I227 WeakPolarHBondContact O-CB 3.19Å; Q224-I227 PolarHBondContact O-N 2.99Å; I227-L229 PolarHBondContact O-N 2.88Å; I227-T230 PolarHBondContact O-N 2.75Å; I227-T230 PolarHBondContact O-OG1 2.78Å; I227-T230 VanDerWaalsContact O-OG1 3.11Å; I227-N231 WeakPolarHBondContact O-CB 3.28Å; I227-N231 PolarHBondContact O-N 2.82Å; I227-N231 PolarHBondContact O-ND2 2.89Å; I227-Y258 HydrophobicContact CG1-CD2 3.62Å; I227-Y258 HydrophobicContact CG1-CE2 4.06Å; I227-Y258 HydrophobicContact CG1-CG 4.48Å; I227-Q261 HydrophobicContact CD1-CB 3.7Å; I227-Q261 HydrophobicContact CD1-CG 4.19Å; I227-T262 HydrophobicContact CG1-CG2 4.01Å
228	D	98.5	Very high	98.1	Very high	61 Å²	61	34 Å²	34	33%	0.326	19%	0.193	S	C	.	.	H	α-helix	trans	-61.6	-36.3	177.4	-60.2	-16.8	0	0	0	111.4	V109 Q224 K232	V109-D228 HydrophobicContact CG1-CB 4.36Å; V109-D228 HydrophobicContact CG2-CB 4.3Å; Q224-D228 PolarHBondContact NE2-OD1 3.35Å; Q224-D228 PolarHBondContact O-N 2.82Å; D228-K232 WeakPolarHBondContact O-CG 2.99Å; D228-K232 PolarHBondContact O-N 2.89Å
229	L	98.2	Very high	98.1	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-65	-46.3	175.5	-164.9	67.2	0	0	0	111.5	V109 F118 V123 I125 T225 L226 I227 K232 V234 I239	V109-L229 HydrophobicContact CG1-CB 4.47Å; V109-L229 HydrophobicContact CG1-CD1 3.98Å; V109-L229 HydrophobicContact CG2-CD1 4.45Å; F118-L229 HydrophobicContact CE1-CD1 3.79Å; F118-L229 HydrophobicContact CZ-CD1 4.17Å; V123-L229 HydrophobicContact CG1-CD2 4.46Å; I125-L229 HydrophobicContact CD1-CD2 4.05Å; T225-L229 WeakPolarHBondContact O-CB 3.46Å; T225-L229 PolarHBondContact O-N 2.8Å; L226-L229 WeakPolarHBondContact O-CB 3.44Å; L226-L229 PolarHBondContact O-N 3.13Å; I227-L229 PolarHBondContact O-N 2.88Å; L229-K232 PolarHBondContact O-N 2.84Å; L229-K232 VanDerWaalsContact O-N 3.17Å; L229-V234 HydrophobicContact CD1-CG2 3.98Å; L229-V234 HydrophobicContact CD2-CG1 4.33Å; L229-V234 HydrophobicContact CG-CB 3.96Å; L229-V234 HydrophobicContact CG-CG1 4.29Å; L229-V234 HydrophobicContact CG-CG2 3.81Å; L229-V234 PolarHBondContact O-N 3.16Å; L229-I239 HydrophobicContact CD2-CD1 4.21Å
230	T	98.3	Very high	98.2	Very high	19 Å²	19	34 Å²	34	12%	0.117	19%	0.193	C	C	.	.	H	α-helix	trans	-72.4	-33.7	-179.8	60.2	0	0	0	0	113	L226 I227 K232 G233 V234 Q236 I239 Y258	L226-T230 WeakPolarHBondContact O-CG2 3.38Å; L226-T230 PolarHBondContact O-N 3.12Å; L226-T230 PolarHBondContact O-OG1 3.28Å; I227-T230 PolarHBondContact O-N 2.75Å; I227-T230 PolarHBondContact O-OG1 2.78Å; I227-T230 VanDerWaalsContact O-OG1 3.11Å; T230-K232 PolarHBondContact O-N 2.82Å; T230-K232 VanDerWaalsContact O-N 3.12Å; T230-G233 PolarHBondContact O-N 2.87Å; T230-V234 VanDerWaalsContact CA-O 3.28Å; T230-V234 WeakPolarHBondContact CA-O 3.49Å; T230-V234 WeakPolarHBondContact CB-O 3.4Å; T230-V234 VanDerWaalsContact CG2-O 3.28Å; T230-V234 WeakPolarHBondContact CG2-O 3.47Å; T230-Q236 HydrophobicContact CG2-CB 4.33Å; T230-I239 HydrophobicContact CG2-CD1 3.83Å; T230-Y258 HydrophobicContact CG2-CE2 3.74Å; T230-Y258 VanDerWaalsContact CG2-OH 3.25Å; T230-Y258 WeakPolarHBondContact CG2-OH 3.4Å; T230-Y258 WeakPolarHBondContact OG1-CE2 3.48Å; T230-Y258 PolarHBondContact OG1-OH 3.02Å
231	N	98	Very high	98.2	Very high	123 Å²	123	32.5 Å²	32.5	66%	0.658	18%	0.181	S	C	*	.	H	α-helix	trans	-61.4	-19.4	171.3	-73.4	-14.9	0	0	0	112.7	I227	I227-N231 WeakPolarHBondContact O-CB 3.28Å; I227-N231 PolarHBondContact O-N 2.82Å; I227-N231 PolarHBondContact O-ND2 2.89Å
232	K	97.3	Very high	98.2	Very high	70 Å²	70	31.3 Å²	31.3	30%	0.304	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99	23.4	173.7	-67.9	-176.3	-173.6	167.3	0	113.9	V109 E110 K113 D228 L229 T230	V109-K232 HydrophobicContact CG1-CD 3.87Å; E110-K232 IonicContact OE1-NZ 2.74Å; E110-K232 PolarHBondContact OE1-NZ 2.97Å; E110-K232 IonicContact OE2-NZ 2.66Å; E110-K232 PolarHBondContact OE2-NZ 3.41Å; K113-K232 HydrophobicContact CD-CB 4.17Å; K113-K232 WeakPolarHBondContact CE-O 3.46Å; K113-K232 HydrophobicContact CG-CB 3.97Å; K113-K232 HydrophobicContact CG-CD 3.97Å; D228-K232 WeakPolarHBondContact O-CG 2.99Å; D228-K232 PolarHBondContact O-N 2.89Å; L229-K232 PolarHBondContact O-N 2.84Å; L229-K232 VanDerWaalsContact O-N 3.17Å; T230-K232 PolarHBondContact O-N 2.82Å; T230-K232 VanDerWaalsContact O-N 3.12Å
233	G	96.8	Very high	98.2	Very high	58 Å²	58	31.3 Å²	31.3	60%	0.598	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	80	18.9	169.3	0	0	0	0	0	114.7	T230 P235	T230-G233 PolarHBondContact O-N 2.87Å; G233-P235 WeakPolarHBondContact O-CD 3.41Å
234	V	97.8	Very high	98.2	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.006	18%	0.175	C	C	.	.			trans	-84.8	115.8	164.9	-177.7	0	0	0	0	108.1	K113 F118 V123 L229 T230 I238 I239	K113-V234 HydrophobicContact CD-CG2 3.93Å; F118-V234 HydrophobicContact CD1-CG2 4.48Å; F118-V234 HydrophobicContact CE1-CG2 3.98Å; V123-V234 HydrophobicContact CG2-CG1 3.92Å; L229-V234 HydrophobicContact CD1-CG2 3.98Å; L229-V234 HydrophobicContact CD2-CG1 4.33Å; L229-V234 HydrophobicContact CG-CB 3.96Å; L229-V234 HydrophobicContact CG-CG1 4.29Å; L229-V234 HydrophobicContact CG-CG2 3.81Å; L229-V234 PolarHBondContact O-N 3.16Å; T230-V234 VanDerWaalsContact CA-O 3.28Å; T230-V234 WeakPolarHBondContact CA-O 3.49Å; T230-V234 WeakPolarHBondContact CB-O 3.4Å; T230-V234 VanDerWaalsContact CG2-O 3.28Å; T230-V234 WeakPolarHBondContact CG2-O 3.47Å; V234-I238 HydrophobicContact CG1-CD1 4.43Å; V234-I238 HydrophobicContact CG1-CG1 4.41Å; V234-I239 HydrophobicContact CG1-CD1 4.27Å; V234-I239 HydrophobicContact CG1-CG1 4.21Å
235	P	97.9	Very high	98.2	Very high	54 Å²	54	28 Å²	28	35%	0.351	16%	0.16	S	C	.	.			trans	-60.6	139.5	177.9	-22	32.3	0	0	0	112.1	G233 E237 I238	G233-P235 WeakPolarHBondContact O-CD 3.41Å; P235-E237 VanDerWaalsContact CB-OE2 3.31Å; P235-E237 WeakPolarHBondContact CB-OE2 3.27Å; P235-E237 PolarHBondContact O-N 2.81Å; P235-I238 HydrophobicContact CB-CD1 4.44Å; P235-I238 HydrophobicContact CB-CG1 4.31Å; P235-I238 HydrophobicContact CG-CD1 4.15Å; P235-I238 VanDerWaalsContact O-CG1 3.32Å; P235-I238 WeakPolarHBondContact O-CG1 3.37Å; P235-I238 PolarHBondContact O-N 2.89Å
236	Q	97.9	Very high	98.2	Very high	30 Å²	30	27.7 Å²	27.7	14%	0.14	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-66.2	-24.7	175.6	60.4	-86.9	-3.7	0	0	113.4	T230 I238 I239 Y258 H264 L266 R267	T230-Q236 HydrophobicContact CG2-CB 4.33Å; Q236-I238 PolarHBondContact O-N 3.47Å; Q236-I239 PolarHBondContact O-N 3.3Å; Q236-Y258 HydrophobicContact CB-CE1 4.09Å; Q236-Y258 WeakPolarHBondContact CB-OH 3.42Å; Q236-Y258 PolarHBondContact OE1-OH 3.35Å; Q236-H264 HydrophobicContact CG-CB 4.25Å; Q236-L266 HydrophobicContact CB-CD2 4.5Å; Q236-R267 PolarHBondContact O-N 2.85Å
237	E	97.5	Very high	98.2	Very high	105 Å²	105	27.7 Å²	27.7	49%	0.491	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	-68.4	-16.3	-177.1	-61.9	76.1	-166.7	0	0	112.3	P235 R267	P235-E237 VanDerWaalsContact CB-OE2 3.31Å; P235-E237 WeakPolarHBondContact CB-OE2 3.27Å; P235-E237 PolarHBondContact O-N 2.81Å; E237-R267 VanDerWaalsContact O-CB 3.3Å; E237-R267 WeakPolarHBondContact O-CB 3.42Å; E237-R267 WeakPolarHBondContact O-CD 3.29Å; E237-R267 PolarHBondContact O-NE 2.76Å
238	I	97.2	Very high	98.2	Very high	40 Å²	40	27 Å²	27	21%	0.205	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-106.4	1.4	178.5	69.4	-178.7	0	0	0	112.6	G119 D121 E122 V123 V234 P235 Q236	G119-I238 WeakPolarHBondContact O-CD1 3.45Å; D121-I238 VanDerWaalsContact O-CD1 3.24Å; D121-I238 WeakPolarHBondContact O-CD1 3.18Å; E122-I238 WeakPolarHBondContact CA-O 3.47Å; V123-I238 PolarHBondContact N-O 3.3Å; V234-I238 HydrophobicContact CG1-CD1 4.43Å; V234-I238 HydrophobicContact CG1-CG1 4.41Å; P235-I238 HydrophobicContact CB-CD1 4.44Å; P235-I238 HydrophobicContact CB-CG1 4.31Å; P235-I238 HydrophobicContact CG-CD1 4.15Å; P235-I238 VanDerWaalsContact O-CG1 3.32Å; P235-I238 WeakPolarHBondContact O-CG1 3.37Å; P235-I238 PolarHBondContact O-N 2.89Å; Q236-I238 PolarHBondContact O-N 3.47Å
239	I	98.6	Very high	98.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	124.6	180	-60.6	176.3	0	0	0	110.4	V123 I125 L229 T230 V234 Q236 L266	V123-I239 WeakPolarHBondContact O-CA 3.36Å; I125-I239 HydrophobicContact CD1-CG2 4.3Å; L229-I239 HydrophobicContact CD2-CD1 4.21Å; T230-I239 HydrophobicContact CG2-CD1 3.83Å; V234-I239 HydrophobicContact CG1-CD1 4.27Å; V234-I239 HydrophobicContact CG1-CG1 4.21Å; Q236-I239 PolarHBondContact O-N 3.3Å; I239-L266 HydrophobicContact CB-CD2 4.35Å; I239-L266 HydrophobicContact CD1-CD2 4.36Å; I239-L266 HydrophobicContact CG2-CD2 4.2Å
240	H	98.7	Very high	98.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	111.9	168.1	-173.3	178	0	0	0	109.7	V123 T124 I125 R268 T270 F343	V123-H240 PolarHBondContact O-N 3Å; T124-H240 CarbonylContact C-O 3.5Å; T124-H240 WeakPolarHBondContact CA-O 3.12Å; I125-H240 PolarHBondContact N-O 3.41Å; H240-R268 WeakPolarHBondContact NE2-CD 3.46Å; H240-T270 PolarHBondContact CE1-OG1 3.25Å; H240-T270 PolarHBondContact NE2-OG1 2.99Å; H240-F343 AromaticContact CE1-CZ 3.82Å
241	L	98.9	Very high	98.2	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	128.4	176.4	-173.3	64.8	0	0	0	110.4	I125 L127 L226 A251 A254 L266 R268 I269 T270	I125-L241 HydrophobicContact CB-CD1 3.87Å; I125-L241 HydrophobicContact CG2-CD1 3.82Å; I125-L241 CarbonylContact O-C 3.58Å; I125-L241 WeakPolarHBondContact O-CA 3.42Å; L127-L241 HydrophobicContact CD1-CD1 4.22Å; L127-L241 HydrophobicContact CD2-CD1 4.1Å; L127-L241 HydrophobicContact CG-CD1 3.98Å; L226-L241 HydrophobicContact CD1-CD2 4.07Å; L241-A251 HydrophobicContact CD2-CB 3.67Å; L241-A251 HydrophobicContact CG-CB 3.85Å; L241-A254 HydrophobicContact CD2-CB 4.16Å; L241-L266 HydrophobicContact CB-CD1 4.45Å; L241-L266 HydrophobicContact CD2-CD1 4.21Å; L241-R268 PolarHBondContact N-O 2.86Å; L241-I269 HydrophobicContact CB-CG1 4.14Å; L241-I269 HydrophobicContact CD2-CG1 4.44Å; L241-I269 CarbonylContact O-C 3.19Å; L241-I269 WeakPolarHBondContact O-CA 3.32Å; L241-T270 PolarHBondContact O-N 3Å
242	I	98.9	Very high	98.3	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	125.8	-178.9	-56.7	-179.6	0	0	0	108	T124 I125 V126 L127 T270 L272 F343	T124-I242 HydrophobicContact CG2-CD1 3.7Å; T124-I242 HydrophobicContact CG2-CG1 4.32Å; I125-I242 PolarHBondContact O-N 3.48Å; V126-I242 CarbonylContact C-O 3.57Å; V126-I242 WeakPolarHBondContact CA-O 3.27Å; V126-I242 HydrophobicContact CG2-CB 4.28Å; V126-I242 HydrophobicContact CG2-CD1 4.36Å; L127-I242 PolarHBondContact N-O 3.36Å; I242-T270 CarbonylContact C-O 3.49Å; I242-T270 WeakPolarHBondContact CA-O 3.48Å; I242-L272 HydrophobicContact CG2-CD1 3.37Å; I242-L272 HydrophobicContact CG2-CG 3.69Å; I242-F343 HydrophobicContact CD1-CD1 4.29Å; I242-F343 HydrophobicContact CD1-CE1 3.52Å; I242-F343 HydrophobicContact CD1-CZ 3.74Å
243	G	98.9	Very high	98.3	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	128.1	176.8	0	0	0	0	0	112	A248 T270 L272	G243-A248 WeakPolarHBondContact O-CB 3.35Å; G243-T270 PolarHBondContact N-O 2.82Å; G243-L272 PolarHBondContact O-N 2.84Å
244	Q	98.8	Very high	98.4	Very high	2 Å²	2	12.5 Å²	12.5	1%	0.009	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	132.8	177.1	-176.5	-171.1	30.2	0	0	111.8	L127 G129 Q137 I246 S247 T340	L127-Q244 PolarHBondContact O-N 2.93Å; G129-Q244 VanDerWaalsContact CA-O 3.3Å; G129-Q244 WeakPolarHBondContact CA-O 3.44Å; Q137-Q244 VanDerWaalsContact CD-OE1 3.32Å; Q137-Q244 VanDerWaalsContact OE1-CD 3.29Å; Q244-I246 PolarHBondContact O-N 3.14Å; Q244-S247 VanDerWaalsContact O-CB 3.32Å; Q244-S247 WeakPolarHBondContact O-CB 3.26Å; Q244-S247 PolarHBondContact O-N 2.87Å; Q244-T340 PolarHBondContact NE2-OG1 3.39Å
245	G	98.4	Very high	98.4	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.01	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	60	-123.5	174.9	0	0	0	0	0	111.6	S247 A248 L272 D273 A275	G245-S247 PolarHBondContact O-N 2.92Å; G245-A248 VanDerWaalsContact O-CB 3.27Å; G245-A248 WeakPolarHBondContact O-CB 3.45Å; G245-A248 PolarHBondContact O-N 3.34Å; G245-L272 PolarHBondContact N-O 2.86Å; G245-D273 VanDerWaalsContact CA-O 3.29Å; G245-D273 WeakPolarHBondContact CA-O 3.46Å; G245-A275 PolarHBondContact O-N 3.11Å
246	I	97.9	Very high	98.4	Very high	4 Å²	4	13.3 Å²	13.3	2%	0.021	7%	0.067	C	C	.	.	H	α-helix	trans	-63.1	-27.4	176.9	-164.1	66.9	0	0	0	112.4	L204 Y210 L213 V215 Q244 A248 H249 V250 A275 V277	L204-I246 HydrophobicContact CD1-CG2 3.86Å; Y210-I246 HydrophobicContact CD2-CB 4.18Å; Y210-I246 HydrophobicContact CD2-CG2 3.76Å; Y210-I246 HydrophobicContact CE2-CB 3.62Å; Y210-I246 HydrophobicContact CE2-CG2 3.6Å; L213-I246 HydrophobicContact CD2-CG1 3.92Å; L213-I246 HydrophobicContact CD2-CG2 3.94Å; V215-I246 HydrophobicContact CG2-CD1 4.25Å; V215-I246 HydrophobicContact CG2-CG1 4.34Å; Q244-I246 PolarHBondContact O-N 3.14Å; I246-A248 PolarHBondContact O-N 2.97Å; I246-H249 PolarHBondContact O-N 3.01Å; I246-H249 VanDerWaalsContact O-N 3.16Å; I246-V250 PolarHBondContact O-N 2.81Å; I246-A275 HydrophobicContact CB-CB 4.18Å; I246-A275 HydrophobicContact CD1-CB 4.08Å; I246-V277 HydrophobicContact CD1-CB 4.39Å; I246-V277 HydrophobicContact CD1-CG2 3.84Å
247	S	98.6	Very high	98.4	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-74	-12.3	-179.9	-54.8	0	0	0	0	113	L127 T128 G129 Q244 G245 H249 V250 A251	L127-S247 WeakPolarHBondContact O-CB 3.32Å; T128-S247 PolarHBondContact O-OG 3.33Å; G129-S247 VanDerWaalsContact CA-OG 3.3Å; G129-S247 WeakPolarHBondContact CA-OG 3.18Å; Q244-S247 VanDerWaalsContact O-CB 3.32Å; Q244-S247 WeakPolarHBondContact O-CB 3.26Å; Q244-S247 PolarHBondContact O-N 2.87Å; G245-S247 PolarHBondContact O-N 2.92Å; S247-H249 VanDerWaalsContact C-N 3.28Å; S247-H249 PolarHBondContact O-N 3.29Å; S247-V250 PolarHBondContact O-N 3.23Å; S247-A251 WeakPolarHBondContact O-CB 3.5Å; S247-A251 PolarHBondContact O-N 3.41Å
248	A	98.8	Very high	98.4	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-59.1	-42.8	166.6	0	0	0	0	0	110.9	G243 G245 I246 A251 G252 P274 L288	G243-A248 WeakPolarHBondContact O-CB 3.35Å; G245-A248 VanDerWaalsContact O-CB 3.27Å; G245-A248 WeakPolarHBondContact O-CB 3.45Å; G245-A248 PolarHBondContact O-N 3.34Å; I246-A248 PolarHBondContact O-N 2.97Å; A248-A251 WeakPolarHBondContact O-CB 3.42Å; A248-A251 PolarHBondContact O-N 3.34Å; A248-G252 PolarHBondContact O-N 2.96Å; A248-G252 VanDerWaalsContact O-N 3.12Å; A248-P274 HydrophobicContact CB-CB 3.97Å; A248-P274 HydrophobicContact CB-CG 4Å; A248-L288 HydrophobicContact CB-CD2 4.25Å
249	H	98.3	Very high	98.5	Very high	14 Å²	14	9.8 Å²	9.8	7%	0.065	5%	0.051	C	C	.	.	H	α-helix	trans	-71.9	-32.6	176.7	-60.3	-67.9	0	0	0	112.6	V215 I246 S247 A251 G252 A253 A275 V277 L288	V215-H249 HydrophobicContact CG1-CB 3.55Å; V215-H249 WeakPolarHBondContact CG1-O 3.2Å; V215-H249 HydrophobicContact CG2-CB 4.33Å; I246-H249 PolarHBondContact O-N 3.01Å; I246-H249 VanDerWaalsContact O-N 3.16Å; S247-H249 VanDerWaalsContact C-N 3.28Å; S247-H249 PolarHBondContact O-N 3.29Å; H249-A251 VanDerWaalsContact C-N 3.33Å; H249-G252 PolarHBondContact O-N 3.2Å; H249-A253 PolarHBondContact O-N 3.24Å; H249-A275 PolarHBondContact NE2-N 3Å; H249-A275 PolarHBondContact NE2-O 2.91Å; H249-V277 HydrophobicContact CB-CG2 4.49Å; H249-V277 VanDerWaalsContact CD2-CG2 3.46Å; H249-V277 WeakPolarHBondContact CD2-CG2 3.3Å; H249-L288 PolarHBondContact ND1-N 2.9Å; H249-L288 VanDerWaalsContact ND1-N 3.13Å
250	V	98.6	Very high	98.5	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-63.5	-41.5	172.2	176.1	0	0	0	0	110.4	L127 L200 L213 V215 T218 G219 I222 I246 S247 A253 A254	L127-V250 HydrophobicContact CD1-CB 4.37Å; L127-V250 HydrophobicContact CD1-CG1 3.97Å; L200-V250 HydrophobicContact CD2-CB 4.49Å; L200-V250 HydrophobicContact CD2-CG1 4.12Å; L200-V250 HydrophobicContact CD2-CG2 4.2Å; L213-V250 HydrophobicContact CD2-CG2 4.09Å; V215-V250 HydrophobicContact CG1-CG2 4.44Å; T218-V250 HydrophobicContact CG2-CG1 3.87Å; T218-V250 HydrophobicContact CG2-CG2 4.14Å; G219-V250 WeakPolarHBondContact CA-O 3.02Å; I222-V250 HydrophobicContact CG1-CG1 3.99Å; I246-V250 PolarHBondContact O-N 2.81Å; S247-V250 PolarHBondContact O-N 3.23Å; V250-A253 PolarHBondContact O-N 3.41Å; V250-A254 WeakPolarHBondContact O-CB 3.37Å; V250-A254 PolarHBondContact O-N 3.31Å
251	A	98.8	Very high	98.4	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-61.3	-44.3	175.8	0	0	0	0	0	111.8	L127 L241 S247 A248 H249 A254 G255 I269	L127-A251 HydrophobicContact CD1-CB 4.06Å; L241-A251 HydrophobicContact CD2-CB 3.67Å; L241-A251 HydrophobicContact CG-CB 3.85Å; S247-A251 WeakPolarHBondContact O-CB 3.5Å; S247-A251 PolarHBondContact O-N 3.41Å; A248-A251 WeakPolarHBondContact O-CB 3.42Å; A248-A251 PolarHBondContact O-N 3.34Å; H249-A251 VanDerWaalsContact C-N 3.33Å; A251-A254 WeakPolarHBondContact O-CB 3.49Å; A251-A254 PolarHBondContact O-N 2.81Å; A251-G255 PolarHBondContact O-N 3Å; A251-I269 HydrophobicContact CB-CG2 3.87Å
252	G	98.6	Very high	98.4	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-60.1	-46.5	174	0	0	0	0	0	113.3	A248 H249 A254 G255 N256 D292	A248-G252 PolarHBondContact O-N 2.96Å; A248-G252 VanDerWaalsContact O-N 3.12Å; H249-G252 PolarHBondContact O-N 3.2Å; G252-A254 VanDerWaalsContact C-N 3.3Å; G252-A254 PolarHBondContact O-N 3.47Å; G252-G255 PolarHBondContact O-N 3.04Å; G252-N256 PolarHBondContact O-N 3.36Å; G252-N256 PolarHBondContact O-ND2 3.32Å; G252-D292 WeakPolarHBondContact CA-OD2 3.1Å
253	A	98	Very high	98.4	Very high	11 Å²	11	23.4 Å²	23.4	9%	0.091	15%	0.15	C	C	.	.	H	α-helix	trans	-62.7	-35.1	175.1	0	0	0	0	0	112.8	V215 L216 H249 V250 K257	V215-A253 HydrophobicContact CG1-CB 4.47Å; L216-A253 HydrophobicContact CD2-CB 4.21Å; H249-A253 PolarHBondContact O-N 3.24Å; V250-A253 PolarHBondContact O-N 3.41Å; A253-K257 WeakPolarHBondContact O-CB 3.19Å; A253-K257 PolarHBondContact O-N 2.85Å
254	A	98.7	Very high	98.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-66.9	-43.5	174.2	0	0	0	0	0	112.3	G219 I222 L226 L241 V250 A251 G252 N256 K257 Y258	G219-A254 VanDerWaalsContact O-CA 3.27Å; G219-A254 WeakPolarHBondContact O-CA 3.05Å; G219-A254 WeakPolarHBondContact O-CB 3.42Å; I222-A254 HydrophobicContact CB-CB 3.97Å; I222-A254 HydrophobicContact CG2-CB 3.85Å; L226-A254 HydrophobicContact CD1-CB 4.24Å; L241-A254 HydrophobicContact CD2-CB 4.16Å; V250-A254 WeakPolarHBondContact O-CB 3.37Å; V250-A254 PolarHBondContact O-N 3.31Å; A251-A254 WeakPolarHBondContact O-CB 3.49Å; A251-A254 PolarHBondContact O-N 2.81Å; G252-A254 VanDerWaalsContact C-N 3.3Å; G252-A254 PolarHBondContact O-N 3.47Å; A254-N256 VanDerWaalsContact C-N 3.35Å; A254-N256 PolarHBondContact O-N 3.34Å; A254-K257 PolarHBondContact O-N 2.94Å; A254-Y258 WeakPolarHBondContact O-CB 3.41Å; A254-Y258 PolarHBondContact O-N 2.94Å
255	G	98.6	Very high	98.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61	-41.8	174.9	0	0	0	0	0	112.7	A251 G252 Y258 T259 D292	A251-G255 PolarHBondContact O-N 3Å; G252-G255 PolarHBondContact O-N 3.04Å; G255-Y258 PolarHBondContact O-N 3.18Å; G255-T259 WeakPolarHBondContact O-CB 3.42Å; G255-T259 PolarHBondContact O-N 3.4Å; G255-T259 PolarHBondContact O-OG1 2.89Å; G255-D292 CarbonylContact C-O 3.58Å; G255-D292 WeakPolarHBondContact CA-O 3.42Å
256	N	97.5	Very high	98.3	Very high	72 Å²	72	31.9 Å²	31.9	39%	0.385	19%	0.188	S	C	.	.	H	α-helix	trans	-64	-45.1	173.8	-79.2	-42.7	0	0	0	112.7	G252 A254 Y258 T259 A260 D292	G252-N256 PolarHBondContact O-N 3.36Å; G252-N256 PolarHBondContact O-ND2 3.32Å; A254-N256 VanDerWaalsContact C-N 3.35Å; A254-N256 PolarHBondContact O-N 3.34Å; N256-Y258 VanDerWaalsContact C-N 3.33Å; N256-Y258 PolarHBondContact O-N 3.09Å; N256-T259 PolarHBondContact O-N 3.17Å; N256-A260 VanDerWaalsContact O-CB 3.3Å; N256-A260 WeakPolarHBondContact O-CB 3.35Å; N256-A260 PolarHBondContact O-N 3.29Å; N256-D292 PolarHBondContact ND2-OD1 2.86Å; N256-D292 PolarHBondContact OD1-OD1 2.84Å
257	K	97.7	Very high	98.3	Very high	65 Å²	65	34.2 Å²	34.2	28%	0.283	20%	0.196	S	C	.	.	H	α-helix	trans	-59.1	-46	175.3	174.2	61.6	160.9	165.7	0	111.4	A220 A253 A254 A260 Q261	A220-K257 HydrophobicContact CB-CD 4.42Å; A220-K257 HydrophobicContact CB-CG 4.38Å; A253-K257 WeakPolarHBondContact O-CB 3.19Å; A253-K257 PolarHBondContact O-N 2.85Å; A254-K257 PolarHBondContact O-N 2.94Å; K257-A260 PolarHBondContact O-N 3.16Å; K257-Q261 HydrophobicContact CD-CG 4.3Å; K257-Q261 VanDerWaalsContact NZ-OE1 3.13Å; K257-Q261 PolarHBondContact O-N 3.32Å
258	Y	98.7	Very high	98.3	Very high	3 Å²	3	34.3 Å²	34.3	1%	0.012	20%	0.197	C	C	.	.	H	α-helix	trans	-57.3	-55.8	176.9	-177	-89	0	0	0	110.3	L226 I227 T230 Q236 A254 G255 N256 A260 Q261 T262 H264 L266	L226-Y258 HydrophobicContact CB-CD2 3.86Å; L226-Y258 HydrophobicContact CB-CE2 4.42Å; I227-Y258 HydrophobicContact CG1-CD2 3.62Å; I227-Y258 HydrophobicContact CG1-CE2 4.06Å; I227-Y258 HydrophobicContact CG1-CG 4.48Å; T230-Y258 HydrophobicContact CG2-CE2 3.74Å; T230-Y258 VanDerWaalsContact CG2-OH 3.25Å; T230-Y258 WeakPolarHBondContact CG2-OH 3.4Å; T230-Y258 WeakPolarHBondContact OG1-CE2 3.48Å; T230-Y258 PolarHBondContact OG1-OH 3.02Å; Q236-Y258 HydrophobicContact CB-CE1 4.09Å; Q236-Y258 WeakPolarHBondContact CB-OH 3.42Å; Q236-Y258 PolarHBondContact OE1-OH 3.35Å; A254-Y258 WeakPolarHBondContact O-CB 3.41Å; A254-Y258 PolarHBondContact O-N 2.94Å; G255-Y258 PolarHBondContact O-N 3.18Å; N256-Y258 VanDerWaalsContact C-N 3.33Å; N256-Y258 PolarHBondContact O-N 3.09Å; Y258-A260 VanDerWaalsContact C-N 3.33Å; Y258-A260 PolarHBondContact O-N 3.5Å; Y258-Q261 PolarHBondContact O-N 3.17Å; Y258-T262 HydrophobicContact CD1-CG2 4.44Å; Y258-T262 HydrophobicContact CD2-CG2 4.2Å; Y258-T262 HydrophobicContact CE1-CG2 4.12Å; Y258-T262 VanDerWaalsContact CE1-OG1 3.25Å; Y258-T262 WeakPolarHBondContact CE1-OG1 3.35Å; Y258-T262 HydrophobicContact CE2-CG2 3.85Å; Y258-T262 HydrophobicContact CG-CG2 4.45Å; Y258-T262 PolarHBondContact O-N 2.7Å; Y258-T262 PolarHBondContact O-OG1 3.26Å; Y258-H264 WeakPolarHBondContact CD1-O 3.46Å; Y258-H264 HydrophobicContact CE1-CB 4.27Å; Y258-H264 VanDerWaalsContact CE1-O 3.24Å; Y258-H264 WeakPolarHBondContact CE1-O 3.45Å; Y258-L266 HydrophobicContact CD1-CD2 3.91Å; Y258-L266 HydrophobicContact CD1-CG 4.15Å; Y258-L266 HydrophobicContact CD2-CD2 4.24Å; Y258-L266 HydrophobicContact CE1-CD2 4.05Å; Y258-L266 HydrophobicContact CE2-CD2 4.37Å; Y258-L266 HydrophobicContact CG-CD2 4.04Å; Y258-L266 HydrophobicContact CG-CG 4.37Å
259	T	98.5	Very high	98.3	Very high	33 Å²	33	34.3 Å²	34.3	20%	0.202	20%	0.197	C	C	.	.	H	α-helix	trans	-57.7	-43.2	-179.5	-52.9	0	0	0	0	112.6	G255 N256 Q261 G263 H264 K265	G255-T259 WeakPolarHBondContact O-CB 3.42Å; G255-T259 PolarHBondContact O-N 3.4Å; G255-T259 PolarHBondContact O-OG1 2.89Å; N256-T259 PolarHBondContact O-N 3.17Å; T259-Q261 PolarHBondContact O-N 3.26Å; T259-G263 VanDerWaalsContact O-CA 3.29Å; T259-G263 WeakPolarHBondContact O-CA 3.41Å; T259-G263 PolarHBondContact O-N 2.81Å; T259-H264 VanDerWaalsContact CA-O 3.24Å; T259-H264 WeakPolarHBondContact CA-O 3.47Å; T259-H264 PolarHBondContact OG1-O 3.49Å; T259-K265 HydrophobicContact CG2-CG 3.96Å
260	A	97.9	Very high	98.3	Very high	87 Å²	87	33.7 Å²	33.7	72%	0.719	19%	0.194	S	C	*	.	H	α-helix	trans	-64.4	-27.4	179.2	0	0	0	0	0	113.3	N256 K257 Y258	N256-A260 VanDerWaalsContact O-CB 3.3Å; N256-A260 WeakPolarHBondContact O-CB 3.35Å; N256-A260 PolarHBondContact O-N 3.29Å; K257-A260 PolarHBondContact O-N 3.16Å; Y258-A260 VanDerWaalsContact C-N 3.33Å; Y258-A260 PolarHBondContact O-N 3.5Å
261	Q	98.2	Very high	98.4	Very high	97 Å²	97	33.7 Å²	33.7	45%	0.453	19%	0.194	S	C	.	.	H	α-helix	trans	-97.9	-28.5	-177.8	-71.7	-171.4	-67.1	0	0	114	I227 K257 Y258 T259	I227-Q261 HydrophobicContact CD1-CB 3.7Å; I227-Q261 HydrophobicContact CD1-CG 4.19Å; K257-Q261 HydrophobicContact CD-CG 4.3Å; K257-Q261 VanDerWaalsContact NZ-OE1 3.13Å; K257-Q261 PolarHBondContact O-N 3.32Å; Y258-Q261 PolarHBondContact O-N 3.17Å; T259-Q261 PolarHBondContact O-N 3.26Å
262	T	98.1	Very high	98.4	Very high	39 Å²	39	33.7 Å²	33.7	24%	0.239	19%	0.194	C	C	.	.	H	α-helix	trans	-104.8	-21.4	-177.2	66.9	0	0	0	0	112.9	I227 Y258 H264	I227-T262 HydrophobicContact CG1-CG2 4.01Å; Y258-T262 HydrophobicContact CD1-CG2 4.44Å; Y258-T262 HydrophobicContact CD2-CG2 4.2Å; Y258-T262 HydrophobicContact CE1-CG2 4.12Å; Y258-T262 VanDerWaalsContact CE1-OG1 3.25Å; Y258-T262 WeakPolarHBondContact CE1-OG1 3.35Å; Y258-T262 HydrophobicContact CE2-CG2 3.85Å; Y258-T262 HydrophobicContact CG-CG2 4.45Å; Y258-T262 PolarHBondContact O-N 2.7Å; Y258-T262 PolarHBondContact O-OG1 3.26Å; T262-H264 PolarHBondContact O-CD2 2.87Å; T262-H264 PolarHBondContact O-N 2.97Å; T262-H264 PolarHBondContact OG1-N 3.08Å; T262-H264 VanDerWaalsContact OG1-N 3.11Å; T262-H264 PolarHBondContact OG1-O 2.87Å
263	G	98	Very high	98.4	Very high	64 Å²	64	33.7 Å²	33.7	66%	0.66	19%	0.194	S	C	*	.	S	Bend	trans	76.5	1.4	-169.2	0	0	0	0	0	114.1	T259	T259-G263 VanDerWaalsContact O-CA 3.29Å; T259-G263 WeakPolarHBondContact O-CA 3.41Å; T259-G263 PolarHBondContact O-N 2.81Å
264	H	98.2	Very high	98.4	Very high	103 Å²	103	33.2 Å²	33.2	48%	0.477	19%	0.19	S	C	.	.			trans	-118.2	146.7	-177.6	-62.6	-78.6	0	0	0	111.2	Q236 Y258 T259 T262	Q236-H264 HydrophobicContact CG-CB 4.25Å; Y258-H264 WeakPolarHBondContact CD1-O 3.46Å; Y258-H264 HydrophobicContact CE1-CB 4.27Å; Y258-H264 VanDerWaalsContact CE1-O 3.24Å; Y258-H264 WeakPolarHBondContact CE1-O 3.45Å; T259-H264 VanDerWaalsContact CA-O 3.24Å; T259-H264 WeakPolarHBondContact CA-O 3.47Å; T259-H264 PolarHBondContact OG1-O 3.49Å; T262-H264 PolarHBondContact O-CD2 2.87Å; T262-H264 PolarHBondContact O-N 2.97Å; T262-H264 PolarHBondContact OG1-N 3.08Å; T262-H264 VanDerWaalsContact OG1-N 3.11Å; T262-H264 PolarHBondContact OG1-O 2.87Å
265	K	98.4	Very high	98.3	Very high	77 Å²	77	33.3 Å²	33.3	34%	0.335	19%	0.19	S	C	.	.			trans	-91.2	153.7	173.8	-67.5	-172.9	-178.9	-164.2	0	110.9	T259 G291 D294	T259-K265 HydrophobicContact CG2-CG 3.96Å; K265-G291 VanDerWaalsContact CE-O 3.26Å; K265-G291 WeakPolarHBondContact CE-O 3.5Å; K265-G291 PolarHBondContact NZ-O 2.69Å; K265-D294 WeakPolarHBondContact CB-OD1 3.41Å
266	L	98.4	Very high	98.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.194	C	C	.	.			trans	-69.4	152	164.6	-58	172.9	0	0	0	109.1	L226 Q236 I239 L241 Y258 R268 A293 D294	L226-L266 HydrophobicContact CD1-CD1 3.74Å; L226-L266 HydrophobicContact CD1-CD2 4.48Å; Q236-L266 HydrophobicContact CB-CD2 4.5Å; I239-L266 HydrophobicContact CB-CD2 4.35Å; I239-L266 HydrophobicContact CD1-CD2 4.36Å; I239-L266 HydrophobicContact CG2-CD2 4.2Å; L241-L266 HydrophobicContact CB-CD1 4.45Å; L241-L266 HydrophobicContact CD2-CD1 4.21Å; Y258-L266 HydrophobicContact CD1-CD2 3.91Å; Y258-L266 HydrophobicContact CD1-CG 4.15Å; Y258-L266 HydrophobicContact CD2-CD2 4.24Å; Y258-L266 HydrophobicContact CE1-CD2 4.05Å; Y258-L266 HydrophobicContact CE2-CD2 4.37Å; Y258-L266 HydrophobicContact CG-CD2 4.04Å; Y258-L266 HydrophobicContact CG-CG 4.37Å; L266-R268 PolarHBondContact O-N 2.8Å; L266-A293 HydrophobicContact CB-CB 4.37Å; L266-A293 WeakPolarHBondContact O-CA 3.39Å; L266-A293 VanDerWaalsContact O-CB 3.27Å; L266-A293 WeakPolarHBondContact O-CB 3.45Å; L266-D294 PolarHBondContact O-N 3.41Å
267	R	98.1	Very high	97.8	Very high	53 Å²	53	31.5 Å²	31.5	20%	0.2	18%	0.18	C	C	.	.	S	Bend	trans	-59.3	-50.8	178	-178.9	-171.4	51.2	140.2	9.2	112.4	E122 Q236 E237 F295 Y384	E122-R267 IonicContact OE1-CZ 3.56Å; E122-R267 VanDerWaalsContact OE1-CZ 3.26Å; E122-R267 IonicContact OE1-NH1 2.9Å; E122-R267 PolarHBondContact OE1-NH1 2.92Å; E122-R267 IonicContact OE1-NH2 2.98Å; E122-R267 PolarHBondContact OE1-NH2 3.19Å; Q236-R267 PolarHBondContact O-N 2.85Å; E237-R267 VanDerWaalsContact O-CB 3.3Å; E237-R267 WeakPolarHBondContact O-CB 3.42Å; E237-R267 WeakPolarHBondContact O-CD 3.29Å; E237-R267 PolarHBondContact O-NE 2.76Å; R267-F295 PolarHBondContact O-N 3.04Å; R267-Y384 PolarHBondContact NH1-OH 3.3Å
268	R	98.6	Very high	97.3	Very high	3 Å²	3	28.7 Å²	28.7	1%	0.011	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	138.1	-173.1	-174.9	172	175.4	-175.2	-4	113.5	H240 L241 L266 T270 F295 D297 G379 L380 Y384	H240-R268 WeakPolarHBondContact NE2-CD 3.46Å; L241-R268 PolarHBondContact N-O 2.86Å; L266-R268 PolarHBondContact O-N 2.8Å; R268-T270 PolarHBondContact NE-OG1 3.38Å; R268-F295 VanDerWaalsContact CA-O 3.31Å; R268-F295 WeakPolarHBondContact CA-O 3.32Å; R268-F295 HydrophobicContact CG-CD1 4.13Å; R268-D297 IonicContact CZ-OD1 3.26Å; R268-D297 IonicContact CZ-OD2 2.66Å; R268-D297 IonicContact NE-OD1 3.47Å; R268-D297 PolarHBondContact NE-OD1 3.33Å; R268-D297 IonicContact NE-OD2 3.72Å; R268-D297 VanDerWaalsContact NH2-CG 3.28Å; R268-D297 IonicContact NH2-OD1 2.69Å; R268-D297 PolarHBondContact NH2-OD1 3.28Å; R268-D297 IonicContact NH2-OD2 2.88Å; R268-D297 PolarHBondContact NH2-OD2 2.91Å; R268-G379 PolarHBondContact NH2-O 3.09Å; R268-L380 PolarHBondContact NH1-O 3.31Å; R268-Y384 HydrophobicContact CB-CE2 4.2Å; R268-Y384 WeakPolarHBondContact CD-OH 3.3Å; R268-Y384 HydrophobicContact CG-CE2 4.28Å
269	I	98.9	Very high	96.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	129.8	162.5	-64.8	164.3	0	0	0	110.1	L241 A251 L288 D292 A293 F295 V296 D297	L241-I269 HydrophobicContact CB-CG1 4.14Å; L241-I269 HydrophobicContact CD2-CG1 4.44Å; L241-I269 CarbonylContact O-C 3.19Å; L241-I269 WeakPolarHBondContact O-CA 3.32Å; A251-I269 HydrophobicContact CB-CG2 3.87Å; I269-L288 HydrophobicContact CB-CD1 4.4Å; I269-L288 HydrophobicContact CG2-CD1 3.53Å; I269-D292 HydrophobicContact CD1-CB 3.84Å; I269-A293 HydrophobicContact CB-CB 4.2Å; I269-A293 HydrophobicContact CD1-CB 3.75Å; I269-A293 HydrophobicContact CG1-CB 3.73Å; I269-F295 PolarHBondContact N-O 3.33Å; I269-V296 HydrophobicContact CB-CG2 4.4Å; I269-V296 VanDerWaalsContact O-CA 3.28Å; I269-V296 WeakPolarHBondContact O-CA 3.27Å; I269-D297 PolarHBondContact O-N 3.22Å
270	T	98.9	Very high	95.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	123.4	170.5	-58	0	0	0	0	111.4	H240 L241 I242 G243 R268 L272 D297 F343	H240-T270 PolarHBondContact CE1-OG1 3.25Å; H240-T270 PolarHBondContact NE2-OG1 2.99Å; L241-T270 PolarHBondContact O-N 3Å; I242-T270 CarbonylContact C-O 3.49Å; I242-T270 WeakPolarHBondContact CA-O 3.48Å; G243-T270 PolarHBondContact N-O 2.82Å; R268-T270 PolarHBondContact NE-OG1 3.38Å; T270-L272 HydrophobicContact CG2-CD2 3.88Å; T270-L272 HydrophobicContact CG2-CG 4.42Å; T270-D297 CarbonylContact C-O 3.5Å; T270-D297 VanDerWaalsContact CA-O 3.27Å; T270-D297 WeakPolarHBondContact CA-O 3.48Å; T270-D297 WeakPolarHBondContact CB-OD1 3.13Å; T270-D297 PolarHBondContact OG1-OD1 2.89Å; T270-F343 HydrophobicContact CG2-CD2 4.11Å; T270-F343 HydrophobicContact CG2-CE2 3.94Å
271	G	98.8	Very high	94.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	111.8	170.9	0	0	0	0	0	112.1	D273 D297 A298 I299	G271-D273 PolarHBondContact O-N 2.82Å; G271-D297 PolarHBondContact N-O 2.73Å; G271-A298 CarbonylContact O-C 3.54Å; G271-A298 VanDerWaalsContact O-CA 3.25Å; G271-A298 WeakPolarHBondContact O-CA 3.48Å; G271-I299 PolarHBondContact O-N 3.41Å
272	L	98.9	Very high	92.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	99.2	174.7	-57.2	175.4	0	0	0	109.4	I242 G243 G245 T270 I299 A339 T340 F343	I242-L272 HydrophobicContact CG2-CD1 3.37Å; I242-L272 HydrophobicContact CG2-CG 3.69Å; G243-L272 PolarHBondContact O-N 2.84Å; G245-L272 PolarHBondContact N-O 2.86Å; T270-L272 HydrophobicContact CG2-CD2 3.88Å; T270-L272 HydrophobicContact CG2-CG 4.42Å; L272-I299 HydrophobicContact CD2-CD1 4.06Å; L272-A339 HydrophobicContact CB-CB 3.94Å; L272-A339 HydrophobicContact CD2-CB 4.48Å; L272-T340 HydrophobicContact CD1-CG2 4.25Å; L272-F343 HydrophobicContact CD2-CB 3.66Å; L272-F343 HydrophobicContact CD2-CD2 3.96Å; L272-F343 HydrophobicContact CD2-CG 3.89Å
273	D	98.8	Very high	91.5	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	18%	0.181	C	C	.	.	S	Bend	trans	52.4	66.4	-173.4	-161.6	45.1	0	0	0	113.6	G245 G271 A275 I299 T301 S302 V336 A339	G245-D273 VanDerWaalsContact CA-O 3.29Å; G245-D273 WeakPolarHBondContact CA-O 3.46Å; G271-D273 PolarHBondContact O-N 2.82Å; D273-A275 PolarHBondContact O-N 3.4Å; D273-I299 WeakPolarHBondContact CA-O 3.24Å; D273-I299 PolarHBondContact N-O 2.96Å; D273-T301 PolarHBondContact OD1-N 2.52Å; D273-S302 PolarHBondContact OD1-N 2.91Å; D273-S302 VanDerWaalsContact OD2-CB 3.31Å; D273-S302 WeakPolarHBondContact OD2-CB 3.5Å; D273-S302 PolarHBondContact OD2-OG 2.81Å; D273-V336 HydrophobicContact CB-CG1 4.28Å; D273-V336 VanDerWaalsContact OD2-CA 3.27Å; D273-V336 WeakPolarHBondContact OD2-CA 3.36Å; D273-V336 WeakPolarHBondContact OD2-CG2 3.37Å; D273-A339 HydrophobicContact CB-CB 3.82Å
274	P	98.7	Very high	90.2	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.17	C	C	.	.			trans	-50.7	130.4	179.8	-25.4	35.3	0	0	0	112.1	A248 L288 A298 G307 T308	A248-P274 HydrophobicContact CB-CB 3.97Å; A248-P274 HydrophobicContact CB-CG 4Å; P274-L288 HydrophobicContact CG-CD2 4.23Å; P274-A298 HydrophobicContact CG-CB 4.01Å; P274-G307 CarbonylContact O-C 3.54Å; P274-G307 VanDerWaalsContact O-CA 3.27Å; P274-G307 WeakPolarHBondContact O-CA 3.33Å; P274-T308 HydrophobicContact CB-CG2 4.18Å; P274-T308 WeakPolarHBondContact O-CG2 3.27Å; P274-T308 PolarHBondContact O-N 3.39Å
275	A	97.3	Very high	88.9	Confident	2 Å²	2	39.8 Å²	39.8	2%	0.017	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-81.3	159.5	-168.4	0	0	0	0	0	114.7	Y210 G245 I246 H249 D273 V277 M306	Y210-A275 VanDerWaalsContact OH-CB 3.27Å; Y210-A275 WeakPolarHBondContact OH-CB 3.29Å; G245-A275 PolarHBondContact O-N 3.11Å; I246-A275 HydrophobicContact CB-CB 4.18Å; I246-A275 HydrophobicContact CD1-CB 4.08Å; H249-A275 PolarHBondContact NE2-N 3Å; H249-A275 PolarHBondContact NE2-O 2.91Å; D273-A275 PolarHBondContact O-N 3.4Å; A275-V277 PolarHBondContact O-N 3.21Å; A275-M306 CarbonylContact C-O 3.36Å; A275-M306 WeakPolarHBondContact CA-O 3.27Å
276	K	93.8	Very high	87.9	Confident	18 Å²	18	38.5 Å²	38.5	8%	0.078	20%	0.201	C	C	.	.			trans	-65.6	114.6	156.2	-53.6	-169.7	-167.3	-59.2	0	108.5	Y69 L278 T303 A305 M306 G307	Y69-K276 HydrophobicContact CD1-CD 3.95Å; Y69-K276 HydrophobicContact CD2-CB 3.84Å; Y69-K276 HydrophobicContact CD2-CD 4.29Å; Y69-K276 HydrophobicContact CE1-CD 4.36Å; Y69-K276 HydrophobicContact CE2-CB 3.98Å; Y69-K276 HydrophobicContact CG-CB 4.3Å; Y69-K276 HydrophobicContact CG-CD 3.9Å; K276-L278 PolarHBondContact O-N 3Å; K276-T303 PolarHBondContact NZ-O 3.24Å; K276-A305 WeakPolarHBondContact CE-O 3.46Å; K276-M306 PolarHBondContact N-O 3.47Å; K276-G307 WeakPolarHBondContact CE-O 3.28Å; K276-G307 WeakPolarHBondContact CG-O 3.27Å; K276-G307 PolarHBondContact NZ-O 3Å
277	V	91.8	Very high	87.4	Confident	16 Å²	16	38.8 Å²	38.8	10%	0.097	20%	0.204	C	C	.	.			trans	-78.4	110.6	173.3	-178.2	0	0	0	0	108.8	V215 I246 H249 A275 S279 K280	V215-V277 HydrophobicContact CG2-CG1 4.36Å; I246-V277 HydrophobicContact CD1-CB 4.39Å; I246-V277 HydrophobicContact CD1-CG2 3.84Å; H249-V277 HydrophobicContact CB-CG2 4.49Å; H249-V277 VanDerWaalsContact CD2-CG2 3.46Å; H249-V277 WeakPolarHBondContact CD2-CG2 3.3Å; A275-V277 PolarHBondContact O-N 3.21Å; V277-S279 VanDerWaalsContact CG1-O 3.24Å; V277-S279 WeakPolarHBondContact CG1-O 3.06Å; V277-K280 HydrophobicContact CB-CG 4.19Å; V277-K280 HydrophobicContact CG1-CG 3.75Å; V277-K280 WeakPolarHBondContact O-CE 3.31Å
278	L	87.3	Confident	87.4	Confident	6 Å²	6	36.8 Å²	36.8	3%	0.031	20%	0.197	C	C	.	.	S	Bend	trans	-75.1	-39.9	-175.3	-63.1	-179.3	0	0	0	112.8	I68 Y69 Q73 L78 F207 A211 K276	I68-L278 HydrophobicContact CG2-CD1 4.23Å; I68-L278 HydrophobicContact CG2-CD2 4.37Å; Y69-L278 HydrophobicContact CD2-CD2 3.84Å; Y69-L278 HydrophobicContact CG-CD2 4.28Å; Q73-L278 PolarHBondContact NE2-O 2.89Å; L78-L278 HydrophobicContact CD1-CB 4.25Å; F207-L278 HydrophobicContact CE1-CD1 3.85Å; F207-L278 HydrophobicContact CZ-CD1 3.73Å; A211-L278 HydrophobicContact CB-CB 4.22Å; A211-L278 HydrophobicContact CB-CD1 3.5Å; A211-L278 HydrophobicContact CB-CG 4.42Å; K276-L278 PolarHBondContact O-N 3Å
279	S	82.7	Confident	87.3	Confident	3 Å²	3	39 Å²	39	2%	0.021	21%	0.214	C	C	.	.	S	Bend	trans	-103.9	118.9	177	59.7	0	0	0	0	111	L78 A211 M212 V277	L78-S279 WeakPolarHBondContact O-CA 3.28Å; L78-S279 WeakPolarHBondContact O-CB 3.46Å; A211-S279 VanDerWaalsContact O-CB 3.3Å; A211-S279 WeakPolarHBondContact O-CB 3.19Å; A211-S279 PolarHBondContact O-N 2.9Å; A211-S279 PolarHBondContact O-OG 2.99Å; M212-S279 WeakPolarHBondContact CA-OG 3.31Å; V277-S279 VanDerWaalsContact CG1-O 3.24Å; V277-S279 WeakPolarHBondContact CG1-O 3.06Å
280	K	75.6	Confident	87.1	Confident	72 Å²	72	44.5 Å²	44.5	31%	0.313	23%	0.234	S	C	.	.			trans	-134.5	143.1	-179.6	-67.2	-178.1	-177	171.5	0	109.8	L78 V277 P282	L78-K280 PolarHBondContact O-N 3.02Å; V277-K280 HydrophobicContact CB-CG 4.19Å; V277-K280 HydrophobicContact CG1-CG 3.75Å; V277-K280 WeakPolarHBondContact O-CE 3.31Å; K280-P282 WeakPolarHBondContact O-CD 3.34Å
281	R	75.4	Confident	86.9	Confident	80 Å²	80	45.6 Å²	45.6	30%	0.302	25%	0.246	S	C	.	.			trans	-80.1	118.1	164.8	-65.6	-177.5	-174.1	97.3	3.1	107.3	P80 D214 Q283 I284	P80-R281 HydrophobicContact CG-CG 4.47Å; D214-R281 IonicContact OD1-NH1 3.83Å; D214-R281 PolarHBondContact OD1-NH1 3.47Å; D214-R281 IonicContact OD1-NH2 3.71Å; D214-R281 IonicContact OD2-CZ 3.17Å; D214-R281 IonicContact OD2-NH1 3.73Å; D214-R281 PolarHBondContact OD2-NH1 3.39Å; D214-R281 IonicContact OD2-NH2 2.76Å; D214-R281 PolarHBondContact OD2-NH2 3.32Å; R281-Q283 PolarHBondContact O-N 3.1Å; R281-I284 HydrophobicContact CB-CB 4.35Å; R281-I284 HydrophobicContact CB-CD1 4.14Å; R281-I284 HydrophobicContact CB-CG1 4.07Å; R281-I284 PolarHBondContact O-N 2.7Å
282	P	66.1	Low	86.9	Confident	76 Å²	76	45.7 Å²	45.7	49%	0.494	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-21.5	-170.1	15.2	-24.1	0	0	0	114.1	K280	K280-P282 WeakPolarHBondContact O-CD 3.34Å
283	Q	68.6	Low	86.9	Confident	163 Å²	163	45.7 Å²	45.7	76%	0.762	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-1.5	-179.8	-54.2	81.8	6	0	0	114.2	R281	R281-Q283 PolarHBondContact O-N 3.1Å
284	I	71.2	Confident	86.8	Confident	82 Å²	82	50.5 Å²	50.5	42%	0.421	27%	0.272	S	S	.	.			trans	-119.8	117.3	-175.9	-48.7	-175.6	0	0	0	110.2	L216 R281 G286	L216-I284 HydrophobicContact CD1-CB 4.32Å; L216-I284 HydrophobicContact CD1-CD1 4.18Å; L216-I284 HydrophobicContact CD1-CG2 3.54Å; R281-I284 HydrophobicContact CB-CB 4.35Å; R281-I284 HydrophobicContact CB-CD1 4.14Å; R281-I284 HydrophobicContact CB-CG1 4.07Å; R281-I284 PolarHBondContact O-N 2.7Å; I284-G286 PolarHBondContact O-N 3.07Å
285	L	70.3	Confident	86.8	Confident	183 Å²	183	50.6 Å²	50.6	96%	0.958	27%	0.272	S	S	*	.			trans	-74.2	113.8	165.5	-61.9	177	0	0	0	107.6
286	G	77.7	Confident	86.9	Confident	50 Å²	50	50.5 Å²	50.5	52%	0.515	27%	0.272	S	S	.	.			trans	-141.4	161.1	-177.1	0	0	0	0	0	112.5	I284	I284-G286 PolarHBondContact O-N 3.07Å
287	G	87.7	Confident	87.1	Confident	6 Å²	6	49.6 Å²	49.6	6%	0.062	27%	0.268	C	S	.	.	S	Bend	trans	100.5	-178.2	-178.6	0	0	0	0	0	113	S289	G287-S289 PolarHBondContact O-N 3.05Å
288	L	97.6	Very high	87.5	Confident	11 Å²	11	48.9 Å²	48.9	6%	0.058	26%	0.263	C	S	.	.	S	Bend	trans	-56.3	128.7	-175.8	-168.6	62.6	0	0	0	112	A248 H249 I269 P274 D292 V296 C312	A248-L288 HydrophobicContact CB-CD2 4.25Å; H249-L288 PolarHBondContact ND1-N 2.9Å; H249-L288 VanDerWaalsContact ND1-N 3.13Å; I269-L288 HydrophobicContact CB-CD1 4.4Å; I269-L288 HydrophobicContact CG2-CD1 3.53Å; P274-L288 HydrophobicContact CG-CD2 4.23Å; L288-D292 WeakPolarHBondContact CA-OD2 3.33Å; L288-V296 HydrophobicContact CD1-CG1 3.64Å; L288-V296 HydrophobicContact CD2-CG1 4.06Å; L288-V296 HydrophobicContact CG-CG1 3.85Å; L288-C312 HydrophobicContact CB-CB 4.25Å; L288-C312 HydrophobicContact CD2-CB 4.44Å; L288-C312 HydrophobicContact CG-CB 4.25Å; L288-C312 VanDerWaalsContact O-CB 3.28Å; L288-C312 WeakPolarHBondContact O-CB 3.27Å
289	S	97	Very high	88	Confident	51 Å²	51	48.6 Å²	48.6	36%	0.357	26%	0.262	S	S	.	.			trans	-147.4	159.5	-179.9	84.7	0	0	0	0	112.3	G287 G291 D292 C312	G287-S289 PolarHBondContact O-N 3.05Å; S289-G291 PolarHBondContact O-N 3.41Å; S289-D292 PolarHBondContact N-OD2 3.34Å; S289-D292 WeakPolarHBondContact O-CB 3.36Å; S289-D292 PolarHBondContact O-N 2.65Å; S289-D292 PolarHBondContact OG-OD1 2.72Å; S289-C312 CarbonylContact C-O 3.58Å; S289-C312 WeakPolarHBondContact CA-O 3.37Å
290	R	95	Very high	88.8	Confident	115 Å²	115	48.5 Å²	48.5	43%	0.434	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	127.7	171.1	-67.5	-178.8	-174.7	-142.9	-11.1	109.1	C312 G313 D314	R290-C312 PolarHBondContact N-O 2.74Å; R290-G313 VanDerWaalsContact CG-C 3.5Å; R290-G313 VanDerWaalsContact CG-O 3.3Å; R290-G313 WeakPolarHBondContact CG-O 3.32Å; R290-G313 PolarHBondContact NE-O 3.04Å; R290-G313 PolarHBondContact NH2-O 3.29Å; R290-D314 PolarHBondContact NH2-O 3.08Å
291	G	95.4	Very high	89.9	Confident	23 Å²	23	45 Å²	45	24%	0.237	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.9	-2.3	178.4	0	0	0	0	0	115.6	K265 S289 A293	K265-G291 VanDerWaalsContact CE-O 3.26Å; K265-G291 WeakPolarHBondContact CE-O 3.5Å; K265-G291 PolarHBondContact NZ-O 2.69Å; S289-G291 PolarHBondContact O-N 3.41Å; G291-A293 CarbonylContact C-O 3.51Å; G291-A293 PolarHBondContact O-N 2.89Å
292	D	97.8	Very high	91	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	23%	0.232	C	C	.	.	S	Bend	trans	-63.1	-18.3	170.1	-66.8	-7.3	0	0	0	112.6	G252 G255 N256 I269 L288 S289 V296	G252-D292 WeakPolarHBondContact CA-OD2 3.1Å; G255-D292 CarbonylContact C-O 3.58Å; G255-D292 WeakPolarHBondContact CA-O 3.42Å; N256-D292 PolarHBondContact ND2-OD1 2.86Å; N256-D292 PolarHBondContact OD1-OD1 2.84Å; I269-D292 HydrophobicContact CD1-CB 3.84Å; L288-D292 WeakPolarHBondContact CA-OD2 3.33Å; S289-D292 PolarHBondContact N-OD2 3.34Å; S289-D292 WeakPolarHBondContact O-CB 3.36Å; S289-D292 PolarHBondContact O-N 2.65Å; S289-D292 PolarHBondContact OG-OD1 2.72Å; D292-V296 HydrophobicContact CB-CG2 4.36Å
293	A	98.5	Very high	92.4	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.008	21%	0.208	C	C	.	.	S	Bend	trans	-143.6	177.6	171.3	0	0	0	0	0	109.1	L266 I269 G291 F295 V296	L266-A293 HydrophobicContact CB-CB 4.37Å; L266-A293 WeakPolarHBondContact O-CA 3.39Å; L266-A293 VanDerWaalsContact O-CB 3.27Å; L266-A293 WeakPolarHBondContact O-CB 3.45Å; I269-A293 HydrophobicContact CB-CB 4.2Å; I269-A293 HydrophobicContact CD1-CB 3.75Å; I269-A293 HydrophobicContact CG1-CB 3.73Å; G291-A293 CarbonylContact C-O 3.51Å; G291-A293 PolarHBondContact O-N 2.89Å; A293-F295 PolarHBondContact O-N 2.7Å; A293-V296 HydrophobicContact CB-CG2 4.16Å
294	D	98.2	Very high	93.7	Very high	101 Å²	101	34.8 Å²	34.8	54%	0.54	19%	0.193	S	C	.	.	S	Bend	trans	-61.9	-29.9	171.4	-72.2	-28.9	0	0	0	111.8	K265 L266	K265-D294 WeakPolarHBondContact CB-OD1 3.41Å; L266-D294 PolarHBondContact O-N 3.41Å
295	F	98.6	Very high	95	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.009	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	135.7	170.8	-177.8	-102.4	0	0	0	112.2	R267 R268 I269 A293 D297 D314 V315 I382 Y384	R267-F295 PolarHBondContact O-N 3.04Å; R268-F295 VanDerWaalsContact CA-O 3.31Å; R268-F295 WeakPolarHBondContact CA-O 3.32Å; R268-F295 HydrophobicContact CG-CD1 4.13Å; I269-F295 PolarHBondContact N-O 3.33Å; A293-F295 PolarHBondContact O-N 2.7Å; F295-D297 HydrophobicContact CD1-CB 4.49Å; F295-D297 HydrophobicContact CE1-CB 3.68Å; F295-D297 HydrophobicContact CZ-CB 4.17Å; F295-D314 HydrophobicContact CD2-CB 3.93Å; F295-D314 HydrophobicContact CE2-CB 3.9Å; F295-V315 HydrophobicContact CE2-CG2 4.14Å; F295-V315 HydrophobicContact CZ-CG2 4Å; F295-I382 HydrophobicContact CE1-CG2 3.58Å; F295-I382 HydrophobicContact CZ-CG1 4.2Å; F295-I382 HydrophobicContact CZ-CG2 4.03Å; F295-Y384 HydrophobicContact CB-CD2 3.33Å; F295-Y384 HydrophobicContact CB-CE2 3.67Å; F295-Y384 AromaticContact CD1-CD2 3.51Å; F295-Y384 HydrophobicContact CD1-CD2 3.51Å; F295-Y384 AromaticContact CD1-CE2 3.6Å; F295-Y384 HydrophobicContact CD1-CE2 3.6Å; F295-Y384 AromaticContact CD2-CD2 3.91Å; F295-Y384 HydrophobicContact CD2-CD2 3.91Å; F295-Y384 WeakPolarHBondContact CD2-O 3.35Å; F295-Y384 HydrophobicContact CE1-CD2 4.21Å; F295-Y384 HydrophobicContact CE1-CE2 4.4Å; F295-Y384 AromaticContact CG-CD2 3.33Å; F295-Y384 HydrophobicContact CG-CD2 3.33Å; F295-Y384 AromaticContact CG-CE2 3.81Å; F295-Y384 HydrophobicContact CG-CE2 3.81Å; F295-Y384 HydrophobicContact CG-CG 4.43Å
296	V	98.7	Very high	96.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	126.7	176.3	-174	0	0	0	0	109.7	I269 L288 D292 A293 G313 D314 V315	I269-V296 HydrophobicContact CB-CG2 4.4Å; I269-V296 VanDerWaalsContact O-CA 3.28Å; I269-V296 WeakPolarHBondContact O-CA 3.27Å; L288-V296 HydrophobicContact CD1-CG1 3.64Å; L288-V296 HydrophobicContact CD2-CG1 4.06Å; L288-V296 HydrophobicContact CG-CG1 3.85Å; D292-V296 HydrophobicContact CB-CG2 4.36Å; A293-V296 HydrophobicContact CB-CG2 4.16Å; V296-G313 CarbonylContact O-C 3.54Å; V296-G313 VanDerWaalsContact O-CA 3.26Å; V296-G313 WeakPolarHBondContact O-CA 3.45Å; V296-D314 PolarHBondContact N-OD2 3.33Å; V296-D314 WeakPolarHBondContact O-CA 3.11Å; V296-D314 VanDerWaalsContact O-CB 3.31Å; V296-D314 WeakPolarHBondContact O-CB 3.32Å; V296-D314 PolarHBondContact O-N 3.3Å; V296-V315 PolarHBondContact O-N 2.97Å
297	D	98.6	Very high	97.2	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	150.9	170.8	65.7	-50.1	0	0	0	111.8	R268 I269 T270 G271 F295 V315	R268-D297 IonicContact CZ-OD1 3.26Å; R268-D297 IonicContact CZ-OD2 2.66Å; R268-D297 IonicContact NE-OD1 3.47Å; R268-D297 PolarHBondContact NE-OD1 3.33Å; R268-D297 IonicContact NE-OD2 3.72Å; R268-D297 VanDerWaalsContact NH2-CG 3.28Å; R268-D297 IonicContact NH2-OD1 2.69Å; R268-D297 PolarHBondContact NH2-OD1 3.28Å; R268-D297 IonicContact NH2-OD2 2.88Å; R268-D297 PolarHBondContact NH2-OD2 2.91Å; I269-D297 PolarHBondContact O-N 3.22Å; T270-D297 CarbonylContact C-O 3.5Å; T270-D297 VanDerWaalsContact CA-O 3.27Å; T270-D297 WeakPolarHBondContact CA-O 3.48Å; T270-D297 WeakPolarHBondContact CB-OD1 3.13Å; T270-D297 PolarHBondContact OG1-OD1 2.89Å; G271-D297 PolarHBondContact N-O 2.73Å; F295-D297 HydrophobicContact CD1-CB 4.49Å; F295-D297 HydrophobicContact CE1-CB 3.68Å; F295-D297 HydrophobicContact CZ-CB 4.17Å; D297-V315 CarbonylContact C-O 3.36Å; D297-V315 WeakPolarHBondContact CA-O 3.41Å
298	A	98.7	Very high	97.6	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	145.1	178.3	0	0	0	0	0	112	G271 P274 V315 F317	G271-A298 CarbonylContact O-C 3.54Å; G271-A298 VanDerWaalsContact O-CA 3.25Å; G271-A298 WeakPolarHBondContact O-CA 3.48Å; P274-A298 HydrophobicContact CG-CB 4.01Å; A298-V315 PolarHBondContact N-O 3.23Å; A298-F317 PolarHBondContact O-N 3.1Å
299	I	98.8	Very high	97.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	109.6	174.2	-57.3	176.4	0	0	0	108.1	G271 L272 D273 T301 F317 P319 A339 F343 M378	G271-I299 PolarHBondContact O-N 3.41Å; L272-I299 HydrophobicContact CD2-CD1 4.06Å; D273-I299 WeakPolarHBondContact CA-O 3.24Å; D273-I299 PolarHBondContact N-O 2.96Å; I299-T301 HydrophobicContact CG2-CG2 4.1Å; I299-F317 HydrophobicContact CG1-CB 4.47Å; I299-F317 HydrophobicContact CG1-CD2 4.46Å; I299-P319 HydrophobicContact CG2-CG 4.06Å; I299-A339 HydrophobicContact CB-CB 4.17Å; I299-A339 HydrophobicContact CG2-CB 3.99Å; I299-F343 HydrophobicContact CD1-CB 4.32Å; I299-F343 HydrophobicContact CD1-CD2 4.1Å; I299-M378 HydrophobicContact CB-SD 4.28Å; I299-M378 HydrophobicContact CD1-CE 4.23Å; I299-M378 HydrophobicContact CD1-CG 3.78Å; I299-M378 HydrophobicContact CD1-SD 3.85Å; I299-M378 HydrophobicContact CG1-CG 3.89Å; I299-M378 HydrophobicContact CG1-SD 3.77Å; I299-M378 HydrophobicContact CG2-CE 4.26Å; I299-M378 HydrophobicContact CG2-SD 3.64Å
300	H	98.7	Very high	97.2	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	13%	0.125	C	C	.	.			trans	-97.3	109.3	-175.9	-64.2	-86	0	0	0	111.1	T308 D316 F317 Y318 P319	H300-T308 PolarHBondContact ND1-O 3.46Å; H300-T308 VanDerWaalsContact ND1-O 3.16Å; H300-D316 IonicContact CD2-OD1 3.22Å; H300-D316 IonicContact CE1-OD1 3.33Å; H300-D316 IonicContact NE2-OD1 3.96Å; H300-D316 PolarHBondContact NE2-OD1 2.62Å; H300-F317 PolarHBondContact N-O 3.2Å; H300-Y318 HydrophobicContact CB-CD1 3.57Å; H300-Y318 HydrophobicContact CB-CE1 3.67Å; H300-Y318 HydrophobicContact CB-CG 4.46Å; H300-Y318 AromaticContact CD2-CE1 3.53Å; H300-Y318 AromaticContact CD2-CZ 3.67Å; H300-Y318 AromaticContact CG-CD1 4Å; H300-Y318 AromaticContact CG-CE1 3.58Å; H300-P319 WeakPolarHBondContact O-CD 3.49Å
301	T	98.6	Very high	97.2	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	-114.7	-8.3	-178.4	53.4	0	0	0	0	114	D273 I299 P319 G325 V326 A335 R338 A339 Y342	D273-T301 PolarHBondContact OD1-N 2.52Å; I299-T301 HydrophobicContact CG2-CG2 4.1Å; T301-P319 HydrophobicContact CG2-CG 4.22Å; T301-G325 WeakPolarHBondContact O-CA 3.33Å; T301-V326 HydrophobicContact CG2-CG1 3.96Å; T301-V326 HydrophobicContact CG2-CG2 4.38Å; T301-V326 PolarHBondContact O-N 3.19Å; T301-A335 WeakPolarHBondContact CB-O 3.23Å; T301-A335 PolarHBondContact OG1-O 3.11Å; T301-R338 HydrophobicContact CG2-CB 4.06Å; T301-A339 HydrophobicContact CG2-CB 4Å; T301-A339 PolarHBondContact OG1-N 3.24Å; T301-Y342 HydrophobicContact CG2-CD2 3.88Å; T301-Y342 HydrophobicContact CG2-CE2 3.7Å
302	S	98.4	Very high	97.3	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.121	C	C	.	.			trans	-142.2	39	179.3	83.8	0	0	0	0	113.8	D273 F304 A305 G307 S323 T324	D273-S302 PolarHBondContact OD1-N 2.91Å; D273-S302 VanDerWaalsContact OD2-CB 3.31Å; D273-S302 WeakPolarHBondContact OD2-CB 3.5Å; D273-S302 PolarHBondContact OD2-OG 2.81Å; S302-F304 PolarHBondContact O-N 2.93Å; S302-A305 CarbonylContact O-C 3.59Å; S302-A305 WeakPolarHBondContact O-CA 3.32Å; S302-A305 PolarHBondContact O-N 3.49Å; S302-G307 VanDerWaalsContact O-CA 3.31Å; S302-G307 WeakPolarHBondContact O-CA 3.34Å; S302-G307 PolarHBondContact O-N 3.31Å; S302-G307 PolarHBondContact OG-N 3.38Å; S302-S323 CarbonylContact C-O 3.6Å; S302-T324 WeakPolarHBondContact CA-O 3.17Å; S302-T324 WeakPolarHBondContact CB-O 3.36Å
303	T	97.2	Very high	97.2	Very high	1 Å²	1	25 Å²	25	1%	0.006	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-44.1	-38.1	-175.9	-56.2	0	0	0	0	116	K276 G307 P309 P322 S323	K276-T303 PolarHBondContact NZ-O 3.24Å; T303-G307 CarbonylContact C-O 3.54Å; T303-P309 HydrophobicContact CG2-CB 3.46Å; T303-P309 VanDerWaalsContact CG2-CB 3.46Å; T303-P309 HydrophobicContact CG2-CG 4.36Å; T303-P322 HydrophobicContact CG2-CB 3.97Å; T303-S323 PolarHBondContact N-O 2.94Å
304	F	96	Very high	97.2	Very high	102 Å²	102	25.7 Å²	25.7	45%	0.447	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	12.3	179.1	-56	-46	0	0	0	113.9	S302 P322 S323 T324	S302-F304 PolarHBondContact O-N 2.93Å; F304-P322 HydrophobicContact CE2-CB 4.07Å; F304-P322 WeakPolarHBondContact CE2-O 3.41Å; F304-P322 HydrophobicContact CZ-CB 3.96Å; F304-S323 PolarHBondContact N-O 3.29Å; F304-T324 HydrophobicContact CB-CG2 3.83Å
305	A	97.1	Very high	97.2	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.6	-105.9	175.1	0	0	0	0	0	110.8	A62 I65 K276 S302 T324 V332	A62-A305 HydrophobicContact CB-CB 3.66Å; I65-A305 WeakPolarHBondContact CG2-O 3.41Å; K276-A305 WeakPolarHBondContact CE-O 3.46Å; S302-A305 CarbonylContact O-C 3.59Å; S302-A305 WeakPolarHBondContact O-CA 3.32Å; S302-A305 PolarHBondContact O-N 3.49Å; A305-T324 VanDerWaalsContact CB-O 3.29Å; A305-T324 WeakPolarHBondContact CB-O 3.31Å; A305-V332 HydrophobicContact CB-CB 4.5Å; A305-V332 HydrophobicContact CB-CG1 3.97Å
306	M	97.6	Very high	97.2	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.01	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-26.8	178.1	-74.2	-176.2	71.2	0	0	112.8	W50 I65 Y210 A275 K276 V332 V336	W50-M306 HydrophobicContact CH2-CE 4.15Å; W50-M306 HydrophobicContact CZ3-CE 3.9Å; I65-M306 HydrophobicContact CD1-CG 4.38Å; I65-M306 HydrophobicContact CG1-CG 4.13Å; Y210-M306 HydrophobicContact CE1-CE 3.96Å; Y210-M306 HydrophobicContact CE2-CE 4.07Å; Y210-M306 WeakPolarHBondContact OH-CE 3.32Å; A275-M306 CarbonylContact C-O 3.36Å; A275-M306 WeakPolarHBondContact CA-O 3.27Å; K276-M306 PolarHBondContact N-O 3.47Å; M306-V332 HydrophobicContact CG-CB 4.01Å; M306-V332 HydrophobicContact CG-CG2 4.16Å; M306-V332 HydrophobicContact SD-CB 4.03Å; M306-V332 HydrophobicContact SD-CG2 3.73Å; M306-V336 HydrophobicContact CB-CG2 3.58Å; M306-V336 HydrophobicContact CG-CG2 4.35Å; M306-V336 HydrophobicContact SD-CG2 4.06Å
307	G	97.9	Very high	97.1	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.099	C	C	.	.	B	Isolated β-bridge	trans	-76.5	170.7	176.5	0	0	0	0	0	113.6	P274 K276 S302 T303	P274-G307 CarbonylContact O-C 3.54Å; P274-G307 VanDerWaalsContact O-CA 3.27Å; P274-G307 WeakPolarHBondContact O-CA 3.33Å; K276-G307 WeakPolarHBondContact CE-O 3.28Å; K276-G307 WeakPolarHBondContact CG-O 3.27Å; K276-G307 PolarHBondContact NZ-O 3Å; S302-G307 VanDerWaalsContact O-CA 3.31Å; S302-G307 WeakPolarHBondContact O-CA 3.34Å; S302-G307 PolarHBondContact O-N 3.31Å; S302-G307 PolarHBondContact OG-N 3.38Å; T303-G307 CarbonylContact C-O 3.54Å
308	T	95.4	Very high	97.1	Very high	5 Å²	5	21.3 Å²	21.3	3%	0.031	10%	0.101	C	C	.	.			trans	-113.5	146.1	-177.9	-169.7	0	0	0	0	112.6	P274 H300 I310	P274-T308 HydrophobicContact CB-CG2 4.18Å; P274-T308 WeakPolarHBondContact O-CG2 3.27Å; P274-T308 PolarHBondContact O-N 3.39Å; H300-T308 PolarHBondContact ND1-O 3.46Å; H300-T308 VanDerWaalsContact ND1-O 3.16Å; T308-I310 HydrophobicContact CG2-CB 4.16Å; T308-I310 WeakPolarHBondContact OG1-CG1 3.4Å; T308-I310 PolarHBondContact OG1-N 2.72Å
309	P	92.5	Very high	97.1	Very high	67 Å²	67	21.3 Å²	21.3	44%	0.435	10%	0.101	S	C	.	.			trans	-80.3	-6.2	169.4	31.9	-35.3	0	0	0	112.9	T303 R311	T303-P309 HydrophobicContact CG2-CB 3.46Å; T303-P309 VanDerWaalsContact CG2-CB 3.46Å; T303-P309 HydrophobicContact CG2-CG 4.36Å; P309-R311 PolarHBondContact O-N 3.3Å
310	I	93.9	Very high	97	Very high	91 Å²	91	22.9 Å²	22.9	47%	0.467	11%	0.109	S	C	.	.	S	Bend	trans	-69.8	120.2	-176.8	-60.8	172.2	0	0	0	108.8	T308 C312	T308-I310 HydrophobicContact CG2-CB 4.16Å; T308-I310 WeakPolarHBondContact OG1-CG1 3.4Å; T308-I310 PolarHBondContact OG1-N 2.72Å; I310-C312 PolarHBondContact O-N 2.83Å
311	R	95.4	Very high	96.8	Very high	148 Å²	148	23 Å²	23	56%	0.558	11%	0.11	S	C	*	.			trans	-59	130.2	170.5	-63.7	171.4	179.1	147.8	-1.2	109.8	P309 D389	P309-R311 PolarHBondContact O-N 3.3Å; R311-D389 IonicContact CZ-OD2 2.65Å; R311-D389 IonicContact NE-OD1 2.7Å; R311-D389 PolarHBondContact NE-OD1 3.36Å; R311-D389 VanDerWaalsContact NE-OD1 3.17Å; R311-D389 IonicContact NE-OD2 3.47Å; R311-D389 PolarHBondContact NE-OD2 3.04Å; R311-D389 IonicContact NH2-OD2 3.89Å; R311-D389 PolarHBondContact NH2-OD2 3.4Å
312	C	96.1	Very high	96.7	Very high	4 Å²	4	25.8 Å²	25.8	3%	0.027	13%	0.128	C	C	.	.			trans	-139.6	-17	-174.1	61.1	0	0	0	0	113.8	L288 S289 R290 I310 D316	L288-C312 HydrophobicContact CB-CB 4.25Å; L288-C312 HydrophobicContact CD2-CB 4.44Å; L288-C312 HydrophobicContact CG-CB 4.25Å; L288-C312 VanDerWaalsContact O-CB 3.28Å; L288-C312 WeakPolarHBondContact O-CB 3.27Å; S289-C312 CarbonylContact C-O 3.58Å; S289-C312 WeakPolarHBondContact CA-O 3.37Å; R290-C312 PolarHBondContact N-O 2.74Å; I310-C312 PolarHBondContact O-N 2.83Å; C312-D316 PolarHBondContact N-OD1 2.88Å; C312-D316 PolarHBondContact N-OD2 3.32Å
313	G	97.1	Very high	96.7	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.137	C	C	.	.	S	Bend	trans	-97	162.6	174.8	0	0	0	0	0	112.3	R290 V296 V315 D316	R290-G313 VanDerWaalsContact CG-C 3.5Å; R290-G313 VanDerWaalsContact CG-O 3.3Å; R290-G313 WeakPolarHBondContact CG-O 3.32Å; R290-G313 PolarHBondContact NE-O 3.04Å; R290-G313 PolarHBondContact NH2-O 3.29Å; V296-G313 CarbonylContact O-C 3.54Å; V296-G313 VanDerWaalsContact O-CA 3.26Å; V296-G313 WeakPolarHBondContact O-CA 3.45Å; G313-V315 PolarHBondContact O-N 3.21Å; G313-D316 PolarHBondContact N-OD1 3.41Å; G313-D316 PolarHBondContact N-OD2 3.28Å; G313-D316 VanDerWaalsContact N-OD2 3.16Å
314	D	98	Very high	96.7	Very high	16 Å²	16	28.1 Å²	28.1	9%	0.086	14%	0.144	C	C	.	.	S	Bend	trans	-51.3	-41.5	155.1	-73.4	-70.9	0	0	0	109.5	R290 F295 V296 R387 G388	R290-D314 PolarHBondContact NH2-O 3.08Å; F295-D314 HydrophobicContact CD2-CB 3.93Å; F295-D314 HydrophobicContact CE2-CB 3.9Å; V296-D314 PolarHBondContact N-OD2 3.33Å; V296-D314 WeakPolarHBondContact O-CA 3.11Å; V296-D314 VanDerWaalsContact O-CB 3.31Å; V296-D314 WeakPolarHBondContact O-CB 3.32Å; V296-D314 PolarHBondContact O-N 3.3Å; D314-R387 CarbonylContact O-C 3.5Å; D314-R387 VanDerWaalsContact O-CA 3.25Å; D314-R387 WeakPolarHBondContact O-CA 3.42Å; D314-R387 IonicContact OD1-CZ 2.86Å; D314-R387 IonicContact OD1-NE 2.67Å; D314-R387 PolarHBondContact OD1-NE 3.1Å; D314-R387 IonicContact OD1-NH2 3.46Å; D314-G388 PolarHBondContact O-N 2.84Å
315	V	97.6	Very high	96.8	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	130.1	171	-172.3	0	0	0	0	110.9	F295 V296 D297 A298 G313 F317 L386 G388 Y390	F295-V315 HydrophobicContact CE2-CG2 4.14Å; F295-V315 HydrophobicContact CZ-CG2 4Å; V296-V315 PolarHBondContact O-N 2.97Å; D297-V315 CarbonylContact C-O 3.36Å; D297-V315 WeakPolarHBondContact CA-O 3.41Å; A298-V315 PolarHBondContact N-O 3.23Å; G313-V315 PolarHBondContact O-N 3.21Å; V315-F317 HydrophobicContact CB-CE2 4.19Å; V315-F317 HydrophobicContact CB-CZ 4.48Å; V315-F317 HydrophobicContact CG1-CD2 4.07Å; V315-F317 HydrophobicContact CG1-CE1 4.08Å; V315-F317 HydrophobicContact CG1-CE2 3.48Å; V315-F317 VanDerWaalsContact CG1-CE2 3.48Å; V315-F317 HydrophobicContact CG1-CZ 3.46Å; V315-F317 VanDerWaalsContact CG1-CZ 3.46Å; V315-L386 HydrophobicContact CG2-CB 3.53Å; V315-L386 WeakPolarHBondContact CG2-O 3.49Å; V315-G388 WeakPolarHBondContact CA-O 3.06Å; V315-Y390 HydrophobicContact CG1-CD2 3.54Å; V315-Y390 HydrophobicContact CG1-CE2 4.07Å; V315-Y390 HydrophobicContact CG1-CG 4.21Å
316	D	98.2	Very high	96.8	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	117.5	173.4	-69.5	-90.2	0	0	0	109.2	H300 C312 G313 Y318 G388 D389 Y390	H300-D316 IonicContact CD2-OD1 3.22Å; H300-D316 IonicContact CE1-OD1 3.33Å; H300-D316 IonicContact NE2-OD1 3.96Å; H300-D316 PolarHBondContact NE2-OD1 2.62Å; C312-D316 PolarHBondContact N-OD1 2.88Å; C312-D316 PolarHBondContact N-OD2 3.32Å; G313-D316 PolarHBondContact N-OD1 3.41Å; G313-D316 PolarHBondContact N-OD2 3.28Å; G313-D316 VanDerWaalsContact N-OD2 3.16Å; D316-Y318 HydrophobicContact CB-CE2 3.68Å; D316-G388 PolarHBondContact N-O 2.96Å; D316-D389 WeakPolarHBondContact O-CA 3.43Å; D316-Y390 PolarHBondContact O-N 3.4Å
317	F	98.2	Very high	96.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	135.3	176.8	-67	-80	0	0	0	111.6	A298 I299 H300 V315 A357 M378 I382 Y390 L392	A298-F317 PolarHBondContact O-N 3.1Å; I299-F317 HydrophobicContact CG1-CB 4.47Å; I299-F317 HydrophobicContact CG1-CD2 4.46Å; H300-F317 PolarHBondContact N-O 3.2Å; V315-F317 HydrophobicContact CB-CE2 4.19Å; V315-F317 HydrophobicContact CB-CZ 4.48Å; V315-F317 HydrophobicContact CG1-CD2 4.07Å; V315-F317 HydrophobicContact CG1-CE1 4.08Å; V315-F317 HydrophobicContact CG1-CE2 3.48Å; V315-F317 VanDerWaalsContact CG1-CE2 3.48Å; V315-F317 HydrophobicContact CG1-CZ 3.46Å; V315-F317 VanDerWaalsContact CG1-CZ 3.46Å; F317-A357 HydrophobicContact CD1-CB 3.83Å; F317-A357 HydrophobicContact CE1-CB 3.75Å; F317-M378 HydrophobicContact CB-CG 3.92Å; F317-M378 HydrophobicContact CB-SD 3.56Å; F317-M378 VanDerWaalsContact CB-SD 3.56Å; F317-M378 HydrophobicContact CD1-CB 3.64Å; F317-M378 HydrophobicContact CD1-CG 3.85Å; F317-M378 HydrophobicContact CD1-SD 4.3Å; F317-M378 HydrophobicContact CD2-CB 4.18Å; F317-M378 HydrophobicContact CD2-CG 3.65Å; F317-M378 HydrophobicContact CD2-SD 4.43Å; F317-M378 HydrophobicContact CE1-CB 3.79Å; F317-M378 HydrophobicContact CE1-CG 4.33Å; F317-M378 HydrophobicContact CE2-CB 4.29Å; F317-M378 HydrophobicContact CE2-CG 4.14Å; F317-M378 HydrophobicContact CG-CB 3.86Å; F317-M378 HydrophobicContact CG-CG 3.5Å; F317-M378 HydrophobicContact CG-SD 3.85Å; F317-M378 HydrophobicContact CZ-CB 4.13Å; F317-M378 HydrophobicContact CZ-CG 4.47Å; F317-I382 HydrophobicContact CE1-CD1 4.45Å; F317-I382 HydrophobicContact CE2-CD1 4.05Å; F317-I382 HydrophobicContact CE2-CG1 4.29Å; F317-I382 HydrophobicContact CZ-CD1 3.44Å; F317-I382 VanDerWaalsContact CZ-CD1 3.44Å; F317-I382 HydrophobicContact CZ-CG1 4.15Å; F317-Y390 CarbonylContact C-O 3.14Å; F317-Y390 WeakPolarHBondContact CA-O 3.22Å; F317-Y390 VanDerWaalsContact CD1-CB 3.4Å; F317-Y390 HydrophobicContact CD1-CG 4.28Å; F317-Y390 VanDerWaalsContact CE1-CB 3.47Å; F317-Y390 HydrophobicContact CE1-CD1 4.16Å; F317-Y390 AromaticContact CE1-CG 3.84Å; F317-Y390 HydrophobicContact CE1-CG 3.84Å; F317-L392 HydrophobicContact CB-CD2 4.41Å; F317-L392 HydrophobicContact CD1-CD2 4.43Å
318	Y	98	Very high	96.7	Very high	11 Å²	11	28 Å²	28	4%	0.043	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	83.4	178.1	-59.3	-86.9	0	0	0	110.3	H300 D316 N320 G321 P322 D389 Y390	H300-Y318 HydrophobicContact CB-CD1 3.57Å; H300-Y318 HydrophobicContact CB-CE1 3.67Å; H300-Y318 HydrophobicContact CB-CG 4.46Å; H300-Y318 AromaticContact CD2-CE1 3.53Å; H300-Y318 AromaticContact CD2-CZ 3.67Å; H300-Y318 AromaticContact CG-CD1 4Å; H300-Y318 AromaticContact CG-CE1 3.58Å; D316-Y318 HydrophobicContact CB-CE2 3.68Å; Y318-N320 PolarHBondContact O-N 3.44Å; Y318-G321 WeakPolarHBondContact O-CA 3.2Å; Y318-G321 PolarHBondContact O-N 3.46Å; Y318-P322 HydrophobicContact CD1-CB 4.38Å; Y318-P322 HydrophobicContact CD1-CG 3.8Å; Y318-P322 HydrophobicContact CE1-CG 4.28Å; Y318-P322 HydrophobicContact CG-CG 4.19Å; Y318-D389 HydrophobicContact CD2-CB 4.44Å; Y318-D389 HydrophobicContact CE2-CB 4.06Å; Y318-Y390 PolarHBondContact N-O 2.94Å
319	P	97.8	Very high	96.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	125.5	173.2	-21.6	31.5	0	0	0	111.6	I299 H300 T301 G321 V326 Y342 M378 L392 V394	I299-P319 HydrophobicContact CG2-CG 4.06Å; H300-P319 WeakPolarHBondContact O-CD 3.49Å; T301-P319 HydrophobicContact CG2-CG 4.22Å; P319-G321 PolarHBondContact O-N 2.65Å; P319-V326 HydrophobicContact CB-CG1 4.12Å; P319-V326 WeakPolarHBondContact O-CG1 3.29Å; P319-Y342 HydrophobicContact CB-CD2 4.41Å; P319-Y342 HydrophobicContact CB-CE2 3.97Å; P319-Y342 HydrophobicContact CG-CD2 4.05Å; P319-Y342 HydrophobicContact CG-CE2 4.06Å; P319-M378 HydrophobicContact CG-CE 4.25Å; P319-M378 HydrophobicContact CG-SD 3.96Å; P319-L392 HydrophobicContact CB-CD2 4.12Å; P319-L392 HydrophobicContact CB-CG 4.27Å; P319-L392 HydrophobicContact CG-CD2 3.91Å; P319-L392 HydrophobicContact CG-CG 4.43Å; P319-V394 HydrophobicContact CB-CG1 4.05Å; P319-V394 HydrophobicContact CB-CG2 3.8Å
320	N	96.6	Very high	97.1	Very high	33 Å²	33	32.7 Å²	32.7	18%	0.176	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	23.8	-171.3	-71.3	83	0	0	0	114.2	Y318 L363 L392 V394	Y318-N320 PolarHBondContact O-N 3.44Å; N320-L363 WeakPolarHBondContact O-CD2 3.5Å; N320-L392 PolarHBondContact N-O 3.46Å; N320-V394 WeakPolarHBondContact OD1-CG2 3.41Å; N320-V394 PolarHBondContact OD1-N 3.42Å; N320-V394 PolarHBondContact OD1-O 2.81Å
321	G	96.2	Very high	97.3	Very high	2 Å²	2	29 Å²	29	2%	0.021	16%	0.161	C	C	.	.	S	Bend	trans	72.9	171.9	-177.2	0	0	0	0	0	113.8	Y318 P319 S323	Y318-G321 WeakPolarHBondContact O-CA 3.2Å; Y318-G321 PolarHBondContact O-N 3.46Å; P319-G321 PolarHBondContact O-N 2.65Å; G321-S323 PolarHBondContact O-N 2.91Å
322	P	96.6	Very high	97.4	Very high	59 Å²	59	22 Å²	22	38%	0.383	13%	0.134	S	C	.	.	S	Bend	trans	-59.6	124.6	176.2	-23.2	33.8	0	0	0	111.8	T303 F304 Y318	T303-P322 HydrophobicContact CG2-CB 3.97Å; F304-P322 HydrophobicContact CE2-CB 4.07Å; F304-P322 WeakPolarHBondContact CE2-O 3.41Å; F304-P322 HydrophobicContact CZ-CB 3.96Å; Y318-P322 HydrophobicContact CD1-CB 4.38Å; Y318-P322 HydrophobicContact CD1-CG 3.8Å; Y318-P322 HydrophobicContact CE1-CG 4.28Å; Y318-P322 HydrophobicContact CG-CG 4.19Å
323	S	96.7	Very high	97.5	Very high	26 Å²	26	21.8 Å²	21.8	18%	0.182	13%	0.133	C	C	.	.			trans	-153.2	175.7	-177.8	68.3	0	0	0	0	112.3	S302 T303 F304 G321 G325	S302-S323 CarbonylContact C-O 3.6Å; T303-S323 PolarHBondContact N-O 2.94Å; F304-S323 PolarHBondContact N-O 3.29Å; G321-S323 PolarHBondContact O-N 2.91Å; S323-G325 VanDerWaalsContact C-N 3.3Å; S323-G325 PolarHBondContact OG-N 3.19Å; S323-G325 PolarHBondContact OG-O 3.48Å
324	T	98	Very high	97.6	Very high	25 Å²	25	22.9 Å²	22.9	15%	0.153	14%	0.138	C	C	.	.	S	Bend	trans	-67.6	-32.9	168.6	47.3	0	0	0	0	111.8	E59 A62 S302 F304 A305	E59-T324 WeakPolarHBondContact OE1-CB 3.41Å; E59-T324 PolarHBondContact OE1-OG1 2.98Å; A62-T324 HydrophobicContact CB-CG2 4Å; S302-T324 WeakPolarHBondContact CA-O 3.17Å; S302-T324 WeakPolarHBondContact CB-O 3.36Å; F304-T324 HydrophobicContact CB-CG2 3.83Å; A305-T324 VanDerWaalsContact CB-O 3.29Å; A305-T324 WeakPolarHBondContact CB-O 3.31Å
325	G	98	Very high	97.6	Very high	14 Å²	14	22.1 Å²	22.1	14%	0.144	13%	0.134	C	C	.	.			trans	-165.3	159.8	177.1	0	0	0	0	0	112	T301 S323	T301-G325 WeakPolarHBondContact O-CA 3.33Å; S323-G325 VanDerWaalsContact C-N 3.3Å; S323-G325 PolarHBondContact OG-N 3.19Å; S323-G325 PolarHBondContact OG-O 3.48Å
326	V	98	Very high	97.6	Very high	5 Å²	5	22.3 Å²	22.3	3%	0.03	14%	0.135	C	C	.	.			trans	-87.3	163.8	175.6	-64.2	0	0	0	0	111.2	T301 P319 G328 S329 R338 Y342	T301-V326 HydrophobicContact CG2-CG1 3.96Å; T301-V326 HydrophobicContact CG2-CG2 4.38Å; T301-V326 PolarHBondContact O-N 3.19Å; P319-V326 HydrophobicContact CB-CG1 4.12Å; P319-V326 WeakPolarHBondContact O-CG1 3.29Å; V326-G328 PolarHBondContact O-N 3.37Å; V326-S329 WeakPolarHBondContact CG2-OG 3.45Å; V326-S329 PolarHBondContact N-OG 3.4Å; V326-S329 VanDerWaalsContact O-CB 3.27Å; V326-S329 WeakPolarHBondContact O-CB 3.37Å; V326-S329 PolarHBondContact O-N 3.23Å; V326-S329 PolarHBondContact O-OG 2.82Å; V326-R338 HydrophobicContact CG2-CB 3.56Å; V326-R338 HydrophobicContact CG2-CG 3.41Å; V326-R338 VanDerWaalsContact CG2-CG 3.41Å; V326-Y342 HydrophobicContact CB-CE2 4.47Å; V326-Y342 HydrophobicContact CG1-CE2 4.4Å; V326-Y342 HydrophobicContact CG2-CE2 4.02Å; V326-Y342 WeakPolarHBondContact CG2-OH 3.38Å
327	P	97.6	Very high	97.7	Very high	46 Å²	46	22.3 Å²	22.3	30%	0.299	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.1	130.5	179.9	-30.8	36.8	0	0	0	113.7	R338 A396	P327-R338 PolarHBondContact O-NH1 3.14Å; P327-A396 HydrophobicContact CB-CB 3.96Å; P327-A396 WeakPolarHBondContact O-CA 3.31Å
328	G	95.9	Very high	97.7	Very high	35 Å²	35	22.9 Å²	22.9	36%	0.361	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.1	16.3	-177.5	0	0	0	0	0	115.3	V326 R338	V326-G328 PolarHBondContact O-N 3.37Å; G328-R338 PolarHBondContact O-NH2 2.94Å
329	S	97.3	Very high	97.7	Very high	15 Å²	15	22.3 Å²	22.3	11%	0.105	14%	0.135	C	C	.	.			trans	-90	115.2	168.6	-50.4	0	0	0	0	109.7	V326	V326-S329 WeakPolarHBondContact CG2-OG 3.45Å; V326-S329 PolarHBondContact N-OG 3.4Å; V326-S329 VanDerWaalsContact O-CB 3.27Å; V326-S329 WeakPolarHBondContact O-CB 3.37Å; V326-S329 PolarHBondContact O-N 3.23Å; V326-S329 PolarHBondContact O-OG 2.82Å
330	E	97.1	Very high	97.7	Very high	156 Å²	156	22.4 Å²	22.4	73%	0.729	14%	0.135	S	C	*	.			trans	-92.6	-28.6	-175.4	-65.4	175	179.9	0	0	112.5	L58	L58-E330 PolarHBondContact N-O 3.01Å
331	N	98.4	Very high	97.8	Very high	15 Å²	15	21.1 Å²	21.1	8%	0.08	13%	0.128	C	C	.	.	S	Bend	trans	-140.8	172.4	-180	71.2	48.3	0	0	0	110.1	E54 Q56 I333 E334 A335	E54-N331 WeakPolarHBondContact O-CB 3.5Å; E54-N331 PolarHBondContact O-ND2 2.91Å; E54-N331 PolarHBondContact OE1-ND2 3.25Å; Q56-N331 WeakPolarHBondContact O-CB 3.25Å; N331-I333 VanDerWaalsContact C-N 3.33Å; N331-I333 PolarHBondContact O-N 3.29Å; N331-I333 WeakPolarHBondContact OD1-CA 3.43Å; N331-I333 WeakPolarHBondContact OD1-CB 3.42Å; N331-I333 PolarHBondContact OD1-N 3.18Å; N331-E334 WeakPolarHBondContact OD1-CB 3.33Å; N331-E334 PolarHBondContact OD1-N 3.43Å; N331-A335 PolarHBondContact O-N 3.12Å; N331-A335 VanDerWaalsContact O-N 3.1Å
332	V	98.3	Very high	97.9	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-67.5	-30.5	-175.9	-62.4	0	0	0	0	113.5	L53 L58 A62 A305 M306 A335 V336	L53-V332 HydrophobicContact CB-CG2 3.89Å; L53-V332 HydrophobicContact CD2-CG2 4.1Å; L53-V332 HydrophobicContact CG-CG2 4.39Å; L58-V332 HydrophobicContact CD1-CG1 4Å; A62-V332 HydrophobicContact CB-CG1 4.38Å; A305-V332 HydrophobicContact CB-CB 4.5Å; A305-V332 HydrophobicContact CB-CG1 3.97Å; M306-V332 HydrophobicContact CG-CB 4.01Å; M306-V332 HydrophobicContact CG-CG2 4.16Å; M306-V332 HydrophobicContact SD-CB 4.03Å; M306-V332 HydrophobicContact SD-CG2 3.73Å; V332-A335 WeakPolarHBondContact O-CB 2.93Å; V332-A335 PolarHBondContact O-N 2.78Å; V332-V336 WeakPolarHBondContact O-CG2 3.46Å; V332-V336 PolarHBondContact O-N 3.42Å
333	I	98.3	Very high	98	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-73.9	-43.1	-179.2	-56.9	-179.8	0	0	0	110.2	W50 L53 E54 L130 S134 A136 N331 A335 V336 A337	W50-I333 HydrophobicContact CE3-CD1 3.95Å; L53-I333 HydrophobicContact CB-CD1 4.04Å; L53-I333 HydrophobicContact CB-CG1 4.24Å; E54-I333 HydrophobicContact CB-CD1 3.96Å; E54-I333 WeakPolarHBondContact OE2-CD1 3.32Å; L130-I333 HydrophobicContact CD1-CG2 3.96Å; L130-I333 HydrophobicContact CD2-CG2 4.19Å; S134-I333 WeakPolarHBondContact OG-CG2 3.22Å; A136-I333 HydrophobicContact CB-CG2 4.23Å; N331-I333 VanDerWaalsContact C-N 3.33Å; N331-I333 PolarHBondContact O-N 3.29Å; N331-I333 WeakPolarHBondContact OD1-CA 3.43Å; N331-I333 WeakPolarHBondContact OD1-CB 3.42Å; N331-I333 PolarHBondContact OD1-N 3.18Å; I333-A335 VanDerWaalsContact C-N 3.27Å; I333-A335 PolarHBondContact O-N 3.41Å; I333-V336 PolarHBondContact O-N 2.94Å; I333-A337 WeakPolarHBondContact O-CB 3.48Å; I333-A337 PolarHBondContact O-N 3.38Å
334	E	98.1	Very high	98.1	Very high	23 Å²	23	17 Å²	17	11%	0.107	10%	0.1	C	C	.	.	H	α-helix	trans	-60.1	-39.2	173.5	178.5	66.9	-173	0	0	110.8	A136 N331 A337 R338 R341	A136-E334 HydrophobicContact CB-CB 4.36Å; A136-E334 VanDerWaalsContact CB-OE2 3.25Å; A136-E334 WeakPolarHBondContact CB-OE2 3.3Å; N331-E334 WeakPolarHBondContact OD1-CB 3.33Å; N331-E334 PolarHBondContact OD1-N 3.43Å; E334-A337 PolarHBondContact O-N 3.35Å; E334-R338 WeakPolarHBondContact O-CG 3.38Å; E334-R338 PolarHBondContact O-N 2.72Å; E334-R338 VanDerWaalsContact O-N 3.1Å; E334-R338 IonicContact OE1-NE 2.96Å; E334-R338 IonicContact OE1-NH2 2.8Å; E334-R341 PolarHBondContact O-NH2 3.47Å; E334-R341 VanDerWaalsContact O-NH2 3.12Å; E334-R341 IonicContact OE1-CZ 3.23Å; E334-R341 IonicContact OE1-NH1 2.73Å; E334-R341 PolarHBondContact OE1-NH1 3.33Å; E334-R341 IonicContact OE1-NH2 3.16Å; E334-R341 PolarHBondContact OE1-NH2 3.32Å; E334-R341 IonicContact OE2-CZ 3.54Å; E334-R341 IonicContact OE2-NH1 2.65Å; E334-R341 IonicContact OE2-NH2 3.41Å; E334-R341 PolarHBondContact OE2-NH2 3.1Å; E334-R341 VanDerWaalsContact OE2-NH2 3.11Å
335	A	98.6	Very high	98	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-61.4	-44.7	174.8	0	0	0	0	0	112.3	L58 T301 N331 V332 I333 R338	L58-A335 HydrophobicContact CD1-CB 4.04Å; T301-A335 WeakPolarHBondContact CB-O 3.23Å; T301-A335 PolarHBondContact OG1-O 3.11Å; N331-A335 PolarHBondContact O-N 3.12Å; N331-A335 VanDerWaalsContact O-N 3.1Å; V332-A335 WeakPolarHBondContact O-CB 2.93Å; V332-A335 PolarHBondContact O-N 2.78Å; I333-A335 VanDerWaalsContact C-N 3.27Å; I333-A335 PolarHBondContact O-N 3.41Å; A335-R338 WeakPolarHBondContact O-CB 3.25Å; A335-R338 PolarHBondContact O-N 3.31Å
336	V	98.7	Very high	98	Very high	3 Å²	3	15.3 Å²	15.3	2%	0.018	9%	0.087	C	C	.	.	H	α-helix	trans	-63.9	-43.3	173.3	178.1	0	0	0	0	111.3	L130 D273 M306 V332 I333 R338 A339	L130-V336 HydrophobicContact CD1-CB 4.18Å; L130-V336 HydrophobicContact CD1-CG1 3.95Å; L130-V336 HydrophobicContact CD2-CB 4.37Å; L130-V336 HydrophobicContact CD2-CG1 4.06Å; L130-V336 HydrophobicContact CG-CG1 4.15Å; D273-V336 HydrophobicContact CB-CG1 4.28Å; D273-V336 VanDerWaalsContact OD2-CA 3.27Å; D273-V336 WeakPolarHBondContact OD2-CA 3.36Å; D273-V336 WeakPolarHBondContact OD2-CG2 3.37Å; M306-V336 HydrophobicContact CB-CG2 3.58Å; M306-V336 HydrophobicContact CG-CG2 4.35Å; M306-V336 HydrophobicContact SD-CG2 4.06Å; V332-V336 WeakPolarHBondContact O-CG2 3.46Å; V332-V336 PolarHBondContact O-N 3.42Å; I333-V336 PolarHBondContact O-N 2.94Å; V336-R338 PolarHBondContact O-N 2.62Å; V336-R338 VanDerWaalsContact O-N 3.11Å; V336-A339 PolarHBondContact O-N 2.91Å
337	A	98.4	Very high	97.8	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-66.5	-12	-179.5	0	0	0	0	0	113.8	L130 A136 A140 I333 E334 R341	L130-A337 HydrophobicContact CD1-CB 4.17Å; A136-A337 HydrophobicContact CB-CB 4.03Å; A140-A337 HydrophobicContact CB-CB 4.13Å; I333-A337 WeakPolarHBondContact O-CB 3.48Å; I333-A337 PolarHBondContact O-N 3.38Å; E334-A337 PolarHBondContact O-N 3.35Å; A337-R341 PolarHBondContact O-N 3.05Å; A337-R341 PolarHBondContact O-NE 3.48Å
338	R	98.4	Very high	97.6	Very high	12 Å²	12	15.5 Å²	15.5	5%	0.045	8%	0.082	C	C	.	.	H	α-helix	trans	-67.8	-42.4	175.8	-76.5	-76.3	174	156.2	-2.2	112.4	T301 V326 P327 G328 E334 A335 V336 T340 R341 Y342 A396 F400	T301-R338 HydrophobicContact CG2-CB 4.06Å; V326-R338 HydrophobicContact CG2-CB 3.56Å; V326-R338 HydrophobicContact CG2-CG 3.41Å; V326-R338 VanDerWaalsContact CG2-CG 3.41Å; P327-R338 PolarHBondContact O-NH1 3.14Å; G328-R338 PolarHBondContact O-NH2 2.94Å; E334-R338 WeakPolarHBondContact O-CG 3.38Å; E334-R338 PolarHBondContact O-N 2.72Å; E334-R338 VanDerWaalsContact O-N 3.1Å; E334-R338 IonicContact OE1-NE 2.96Å; E334-R338 IonicContact OE1-NH2 2.8Å; A335-R338 WeakPolarHBondContact O-CB 3.25Å; A335-R338 PolarHBondContact O-N 3.31Å; V336-R338 PolarHBondContact O-N 2.62Å; V336-R338 VanDerWaalsContact O-N 3.11Å; R338-T340 VanDerWaalsContact C-N 3.29Å; R338-T340 PolarHBondContact O-N 3.34Å; R338-R341 VanDerWaalsContact CG-NH2 3.29Å; R338-R341 VanDerWaalsContact NE-NH2 3.11Å; R338-R341 PolarHBondContact O-N 3.42Å; R338-Y342 HydrophobicContact CB-CE2 4.12Å; R338-Y342 PolarHBondContact O-N 3.42Å; R338-A396 PolarHBondContact NH1-O 2.97Å; R338-A396 PolarHBondContact NH2-O 2.7Å; R338-F400 VanDerWaalsContact NH1-CD1 3.32Å
339	A	98.7	Very high	97.2	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-54.8	-46.1	177.5	0	0	0	0	0	111.8	L272 D273 I299 T301 V336 R341 Y342 F343	L272-A339 HydrophobicContact CB-CB 3.94Å; L272-A339 HydrophobicContact CD2-CB 4.48Å; D273-A339 HydrophobicContact CB-CB 3.82Å; I299-A339 HydrophobicContact CB-CB 4.17Å; I299-A339 HydrophobicContact CG2-CB 3.99Å; T301-A339 HydrophobicContact CG2-CB 4Å; T301-A339 PolarHBondContact OG1-N 3.24Å; V336-A339 PolarHBondContact O-N 2.91Å; A339-R341 VanDerWaalsContact C-N 3.3Å; A339-R341 PolarHBondContact O-N 2.89Å; A339-Y342 PolarHBondContact O-N 3.36Å; A339-F343 WeakPolarHBondContact O-CB 3.49Å; A339-F343 PolarHBondContact O-N 2.8Å
340	T	98.8	Very high	96.7	Very high	1 Å²	1	14 Å²	14	1%	0.006	7%	0.068	C	C	.	.	H	α-helix	trans	-60.7	-36.8	175.5	-49.9	0	0	0	0	113.1	A140 L144 Q244 L272 R338 A344	A140-T340 HydrophobicContact CB-CG2 3.98Å; L144-T340 HydrophobicContact CB-CG2 4.34Å; L144-T340 HydrophobicContact CD2-CG2 4.07Å; Q244-T340 PolarHBondContact NE2-OG1 3.39Å; L272-T340 HydrophobicContact CD1-CG2 4.25Å; R338-T340 VanDerWaalsContact C-N 3.29Å; R338-T340 PolarHBondContact O-N 3.34Å; T340-A344 VanDerWaalsContact O-CB 3.26Å; T340-A344 WeakPolarHBondContact O-CB 3.45Å; T340-A344 PolarHBondContact O-N 3.15Å
341	R	98.4	Very high	96.4	Very high	6 Å²	6	7.5 Å²	7.5	2%	0.023	4%	0.039	C	C	.	.	H	α-helix	trans	-77.2	-34	179.8	-74.4	177.9	-69.6	171.6	-0.7	113	A140 E334 A337 R338 A339 E345 F400	A140-R341 HydrophobicContact CB-CG 4.08Å; E334-R341 PolarHBondContact O-NH2 3.47Å; E334-R341 VanDerWaalsContact O-NH2 3.12Å; E334-R341 IonicContact OE1-CZ 3.23Å; E334-R341 IonicContact OE1-NH1 2.73Å; E334-R341 PolarHBondContact OE1-NH1 3.33Å; E334-R341 IonicContact OE1-NH2 3.16Å; E334-R341 PolarHBondContact OE1-NH2 3.32Å; E334-R341 IonicContact OE2-CZ 3.54Å; E334-R341 IonicContact OE2-NH1 2.65Å; E334-R341 IonicContact OE2-NH2 3.41Å; E334-R341 PolarHBondContact OE2-NH2 3.1Å; E334-R341 VanDerWaalsContact OE2-NH2 3.11Å; A337-R341 PolarHBondContact O-N 3.05Å; A337-R341 PolarHBondContact O-NE 3.48Å; R338-R341 VanDerWaalsContact CG-NH2 3.29Å; R338-R341 VanDerWaalsContact NE-NH2 3.11Å; R338-R341 PolarHBondContact O-N 3.42Å; A339-R341 VanDerWaalsContact C-N 3.3Å; A339-R341 PolarHBondContact O-N 2.89Å; R341-E345 PolarHBondContact O-N 3.13Å; R341-F400 HydrophobicContact CB-CE2 3.89Å
342	Y	98.4	Very high	95.8	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-64.9	-46.3	170.9	-61.3	-20.8	0	0	0	110.4	T301 P319 V326 R338 A339 A344 E345 S346 F355 M378 V394 F400	T301-Y342 HydrophobicContact CG2-CD2 3.88Å; T301-Y342 HydrophobicContact CG2-CE2 3.7Å; P319-Y342 HydrophobicContact CB-CD2 4.41Å; P319-Y342 HydrophobicContact CB-CE2 3.97Å; P319-Y342 HydrophobicContact CG-CD2 4.05Å; P319-Y342 HydrophobicContact CG-CE2 4.06Å; V326-Y342 HydrophobicContact CB-CE2 4.47Å; V326-Y342 HydrophobicContact CG1-CE2 4.4Å; V326-Y342 HydrophobicContact CG2-CE2 4.02Å; V326-Y342 WeakPolarHBondContact CG2-OH 3.38Å; R338-Y342 HydrophobicContact CB-CE2 4.12Å; R338-Y342 PolarHBondContact O-N 3.42Å; A339-Y342 PolarHBondContact O-N 3.36Å; Y342-A344 PolarHBondContact O-N 2.9Å; Y342-E345 PolarHBondContact O-N 3.3Å; Y342-E345 VanDerWaalsContact O-N 3.16Å; Y342-S346 PolarHBondContact O-N 3.4Å; Y342-F355 AromaticContact CD1-CE1 3.94Å; Y342-F355 HydrophobicContact CD1-CE1 3.94Å; Y342-F355 HydrophobicContact CD1-CZ 4.16Å; Y342-F355 AromaticContact CG-CE1 3.99Å; Y342-F355 HydrophobicContact CG-CE1 3.99Å; Y342-F355 HydrophobicContact CG-CZ 4.3Å; Y342-F355 VanDerWaalsContact O-CE2 3.29Å; Y342-F355 WeakPolarHBondContact O-CE2 3.43Å; Y342-M378 HydrophobicContact CD2-CE 4.23Å; Y342-M378 HydrophobicContact CG-CE 4.32Å; Y342-V394 HydrophobicContact CE1-CB 4.45Å; Y342-V394 HydrophobicContact CE1-CG2 4.44Å; Y342-V394 HydrophobicContact CE2-CG1 4.41Å; Y342-V394 HydrophobicContact CE2-CG2 3.95Å; Y342-V394 WeakPolarHBondContact OH-CG2 3.47Å; Y342-F400 HydrophobicContact CD1-CB 3.58Å; Y342-F400 HydrophobicContact CD1-CD1 4.49Å; Y342-F400 AromaticContact CD1-CD2 3.66Å; Y342-F400 HydrophobicContact CD1-CD2 3.66Å; Y342-F400 HydrophobicContact CD1-CE2 4.46Å; Y342-F400 AromaticContact CD1-CG 3.67Å; Y342-F400 HydrophobicContact CD1-CG 3.67Å; Y342-F400 HydrophobicContact CE1-CB 3.44Å; Y342-F400 VanDerWaalsContact CE1-CB 3.44Å; Y342-F400 AromaticContact CE1-CD1 3.85Å; Y342-F400 HydrophobicContact CE1-CD1 3.85Å; Y342-F400 AromaticContact CE1-CD2 3.84Å; Y342-F400 HydrophobicContact CE1-CD2 3.84Å; Y342-F400 AromaticContact CE1-CG 3.44Å; Y342-F400 HydrophobicContact CE1-CG 3.44Å; Y342-F400 VanDerWaalsContact CE1-CG 3.44Å
343	F	98.6	Very high	95.4	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-59.9	-46.7	175	-165.8	-87.5	0	0	0	111.5	L144 H240 I242 T270 L272 I299 A339 E345 S346 V347 L380	L144-F343 HydrophobicContact CD1-CD1 3.93Å; H240-F343 AromaticContact CE1-CZ 3.82Å; I242-F343 HydrophobicContact CD1-CD1 4.29Å; I242-F343 HydrophobicContact CD1-CE1 3.52Å; I242-F343 HydrophobicContact CD1-CZ 3.74Å; T270-F343 HydrophobicContact CG2-CD2 4.11Å; T270-F343 HydrophobicContact CG2-CE2 3.94Å; L272-F343 HydrophobicContact CD2-CB 3.66Å; L272-F343 HydrophobicContact CD2-CD2 3.96Å; L272-F343 HydrophobicContact CD2-CG 3.89Å; I299-F343 HydrophobicContact CD1-CB 4.32Å; I299-F343 HydrophobicContact CD1-CD2 4.1Å; A339-F343 WeakPolarHBondContact O-CB 3.49Å; A339-F343 PolarHBondContact O-N 2.8Å; F343-E345 VanDerWaalsContact C-N 3.28Å; F343-E345 PolarHBondContact O-N 3.34Å; F343-S346 WeakPolarHBondContact O-CB 3.47Å; F343-S346 PolarHBondContact O-N 3.19Å; F343-S346 PolarHBondContact O-OG 3.29Å; F343-V347 HydrophobicContact CD1-CG2 3.87Å; F343-V347 HydrophobicContact CE1-CG2 3.63Å; F343-V347 HydrophobicContact CZ-CG2 4.47Å; F343-V347 WeakPolarHBondContact O-CG2 3.44Å; F343-V347 PolarHBondContact O-N 3.44Å; F343-V347 VanDerWaalsContact O-N 3.1Å; F343-L380 HydrophobicContact CE1-CD1 4.47Å; F343-L380 HydrophobicContact CZ-CB 4.4Å; F343-L380 HydrophobicContact CZ-CD1 3.99Å
344	A	98.2	Very high	95.1	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.008	8%	0.075	C	C	.	.	H	α-helix	trans	-56.8	-39.2	175.1	0	0	0	0	0	113.1	R143 L144 A147 T340 Y342 V347	R143-A344 HydrophobicContact CB-CB 4.31Å; L144-A344 HydrophobicContact CB-CB 4.1Å; L144-A344 HydrophobicContact CD1-CB 3.87Å; A147-A344 HydrophobicContact CB-CB 4.45Å; A147-A344 WeakPolarHBondContact CB-O 3.45Å; T340-A344 VanDerWaalsContact O-CB 3.26Å; T340-A344 WeakPolarHBondContact O-CB 3.45Å; T340-A344 PolarHBondContact O-N 3.15Å; Y342-A344 PolarHBondContact O-N 2.9Å; A344-V347 PolarHBondContact O-N 3.01Å
345	E	97	Very high	95	Very high	3 Å²	3	15.7 Å²	15.7	1%	0.014	7%	0.07	C	C	.	.	H	α-helix	trans	-66.8	-38.8	175.3	-176.4	172.4	135.5	0	0	111.8	R341 Y342 F343 V347 R348 S351 N354 F355 S398 P399 F400 G401	R341-E345 PolarHBondContact O-N 3.13Å; Y342-E345 PolarHBondContact O-N 3.3Å; Y342-E345 VanDerWaalsContact O-N 3.16Å; F343-E345 VanDerWaalsContact C-N 3.28Å; F343-E345 PolarHBondContact O-N 3.34Å; E345-V347 PolarHBondContact O-N 3.5Å; E345-R348 PolarHBondContact O-N 3.48Å; E345-S351 WeakPolarHBondContact O-CB 3.38Å; E345-N354 PolarHBondContact OE1-ND2 2.98Å; E345-N354 VanDerWaalsContact OE1-ND2 3.14Å; E345-F355 HydrophobicContact CB-CE2 3.82Å; E345-F355 HydrophobicContact CB-CZ 3.91Å; E345-F355 HydrophobicContact CG-CE2 3.91Å; E345-F355 HydrophobicContact CG-CZ 4.06Å; E345-S398 PolarHBondContact OE2-OG 3.44Å; E345-P399 WeakPolarHBondContact OE2-CA 3.12Å; E345-F400 VanDerWaalsContact CD-N 3.3Å; E345-F400 PolarHBondContact OE1-N 3.21Å; E345-F400 WeakPolarHBondContact OE2-CD2 3.43Å; E345-F400 PolarHBondContact OE2-N 3.31Å; E345-G401 PolarHBondContact OE1-N 3.5Å
346	S	96	Very high	94.8	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.007	7%	0.073	C	C	.	.	H	α-helix	trans	-66.1	-22.4	175.9	79.9	0	0	0	0	114.2	Y342 F343 G379 L380	Y342-S346 PolarHBondContact O-N 3.4Å; F343-S346 WeakPolarHBondContact O-CB 3.47Å; F343-S346 PolarHBondContact O-N 3.19Å; F343-S346 PolarHBondContact O-OG 3.29Å; S346-G379 VanDerWaalsContact OG-CA 3.28Å; S346-G379 WeakPolarHBondContact OG-CA 3.45Å; S346-L380 PolarHBondContact OG-N 2.77Å
347	V	95.5	Very high	94.6	Very high	3 Å²	3	16 Å²	16	2%	0.018	7%	0.072	C	C	.	.	H	α-helix	trans	-78.1	-24.7	177.8	172.1	0	0	0	0	111.5	A147 Y148 K151 F343 A344 E345 L380	A147-V347 HydrophobicContact CB-CB 3.94Å; A147-V347 HydrophobicContact CB-CG1 3.87Å; Y148-V347 HydrophobicContact CD1-CG1 3.87Å; Y148-V347 HydrophobicContact CD2-CG1 4.01Å; Y148-V347 HydrophobicContact CE1-CG1 3.95Å; Y148-V347 HydrophobicContact CE1-CG2 4.48Å; Y148-V347 HydrophobicContact CE2-CG1 4.11Å; Y148-V347 HydrophobicContact CE2-CG2 3.95Å; Y148-V347 HydrophobicContact CG-CG1 3.89Å; K151-V347 HydrophobicContact CB-CG1 4.43Å; K151-V347 HydrophobicContact CD-CG1 4.07Å; F343-V347 HydrophobicContact CD1-CG2 3.87Å; F343-V347 HydrophobicContact CE1-CG2 3.63Å; F343-V347 HydrophobicContact CZ-CG2 4.47Å; F343-V347 WeakPolarHBondContact O-CG2 3.44Å; F343-V347 PolarHBondContact O-N 3.44Å; F343-V347 VanDerWaalsContact O-N 3.1Å; A344-V347 PolarHBondContact O-N 3.01Å; E345-V347 PolarHBondContact O-N 3.5Å; V347-L380 HydrophobicContact CB-CD2 4.43Å; V347-L380 HydrophobicContact CG1-CD2 4.39Å; V347-L380 HydrophobicContact CG2-CB 4.14Å; V347-L380 HydrophobicContact CG2-CD2 4.13Å; V347-L380 HydrophobicContact CG2-CG 4.49Å
348	R	92.4	Very high	94.4	Very high	51 Å²	51	17 Å²	17	19%	0.192	8%	0.078	C	C	.	.	S	Bend	trans	-65.2	132.9	-176.5	-73.1	-178.8	175.2	151.2	-3.6	110.8	A147 E345 G350 S351	A147-R348 HydrophobicContact CB-CG 3.79Å; E345-R348 PolarHBondContact O-N 3.48Å; R348-G350 PolarHBondContact O-N 3.47Å; R348-S351 VanDerWaalsContact O-CB 3.31Å; R348-S351 WeakPolarHBondContact O-CB 3.26Å; R348-S351 PolarHBondContact O-N 3.32Å
349	P	88.4	Confident	94.2	Very high	8 Å²	8	17.6 Å²	17.6	5%	0.052	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	130.6	175.3	-29.6	37.8	0	0	0	112.5	Q150 K151 L154 W185 A188 S351	Q150-P349 HydrophobicContact CG-CG 4.33Å; K151-P349 HydrophobicContact CB-CG 4.33Å; L154-P349 HydrophobicContact CD1-CB 3.9Å; L154-P349 HydrophobicContact CD1-CG 3.92Å; L154-P349 HydrophobicContact CD2-CB 3.82Å; L154-P349 HydrophobicContact CD2-CG 3.97Å; L154-P349 HydrophobicContact CG-CB 4.49Å; L154-P349 HydrophobicContact CG-CG 4.41Å; W185-P349 HydrophobicContact CB-CB 4.06Å; A188-P349 HydrophobicContact CB-CB 3.79Å; P349-S351 VanDerWaalsContact C-N 3.27Å; P349-S351 PolarHBondContact O-N 2.96Å
350	G	86.2	Confident	93.9	Very high	12 Å²	12	17.9 Å²	17.9	12%	0.124	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.3	-4.7	-176.1	0	0	0	0	0	114.6	Q184 R348 E352 R403	Q184-G350 PolarHBondContact OE1-O 2.85Å; R348-G350 PolarHBondContact O-N 3.47Å; G350-E352 WeakPolarHBondContact CA-OE2 3.38Å; G350-E352 VanDerWaalsContact N-CD 3.3Å; G350-E352 PolarHBondContact N-OE1 3.28Å; G350-E352 PolarHBondContact N-OE2 2.88Å; G350-R403 PolarHBondContact O-NH2 3.5Å
351	S	90	Very high	93.5	Very high	19 Å²	19	24.1 Å²	24.1	13%	0.133	12%	0.119	C	C	.	.			trans	-104.5	11	179.2	-61.5	0	0	0	0	113.7	E345 R348 P349 R353 N354	E345-S351 WeakPolarHBondContact O-CB 3.38Å; R348-S351 VanDerWaalsContact O-CB 3.31Å; R348-S351 WeakPolarHBondContact O-CB 3.26Å; R348-S351 PolarHBondContact O-N 3.32Å; P349-S351 VanDerWaalsContact C-N 3.27Å; P349-S351 PolarHBondContact O-N 2.96Å; S351-R353 PolarHBondContact O-N 2.83Å; S351-R353 VanDerWaalsContact O-N 3.09Å; S351-N354 WeakPolarHBondContact CA-OD1 3.36Å; S351-N354 WeakPolarHBondContact CB-ND2 3.42Å; S351-N354 VanDerWaalsContact O-CB 3.29Å; S351-N354 WeakPolarHBondContact O-CB 3.43Å; S351-N354 PolarHBondContact O-N 3.03Å; S351-N354 PolarHBondContact O-OD1 3.41Å
352	E	87.5	Confident	93.2	Very high	41 Å²	41	26 Å²	26	19%	0.192	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-18.3	-169.6	-54.2	90.9	166.7	0	0	113.1	G350 Q381	G350-E352 WeakPolarHBondContact CA-OE2 3.38Å; G350-E352 VanDerWaalsContact N-CD 3.3Å; G350-E352 PolarHBondContact N-OE1 3.28Å; G350-E352 PolarHBondContact N-OE2 2.88Å; E352-Q381 HydrophobicContact CB-CB 4.25Å; E352-Q381 HydrophobicContact CB-CG 3.85Å; E352-Q381 VanDerWaalsContact CG-CD 3.47Å; E352-Q381 HydrophobicContact CG-CG 3.97Å
353	R	89.6	Confident	92.9	Very high	164 Å²	164	28.3 Å²	28.3	62%	0.619	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.8	17.2	176.9	-66.2	-173.4	177	-174.9	-0.7	113.8	S351 F355 Y377	S351-R353 PolarHBondContact O-N 2.83Å; S351-R353 VanDerWaalsContact O-N 3.09Å; R353-F355 VanDerWaalsContact C-N 3.28Å; R353-F355 PolarHBondContact O-N 3.41Å; R353-Y377 HydrophobicContact CB-CD1 3.65Å; R353-Y377 HydrophobicContact CB-CE1 3.59Å; R353-Y377 HydrophobicContact CB-CG 4.19Å; R353-Y377 HydrophobicContact CG-CD1 3.95Å; R353-Y377 HydrophobicContact CG-CD2 4.06Å; R353-Y377 HydrophobicContact CG-CE1 3.93Å; R353-Y377 HydrophobicContact CG-CE2 4.06Å; R353-Y377 HydrophobicContact CG-CG 4Å; R353-Y377 WeakPolarHBondContact O-CD1 3.27Å
354	N	92.2	Very high	92.7	Very high	4 Å²	4	34.9 Å²	34.9	2%	0.021	17%	0.174	C	C	.	.	S	Bend	trans	-66.9	-26.5	-176.4	-81.9	17.7	0	0	0	114	E345 S351 P356 G401 Q402 R403	E345-N354 PolarHBondContact OE1-ND2 2.98Å; E345-N354 VanDerWaalsContact OE1-ND2 3.14Å; S351-N354 WeakPolarHBondContact CA-OD1 3.36Å; S351-N354 WeakPolarHBondContact CB-ND2 3.42Å; S351-N354 VanDerWaalsContact O-CB 3.29Å; S351-N354 WeakPolarHBondContact O-CB 3.43Å; S351-N354 PolarHBondContact O-N 3.03Å; S351-N354 PolarHBondContact O-OD1 3.41Å; N354-P356 WeakPolarHBondContact O-CD 3.33Å; N354-G401 CarbonylContact O-C 3.39Å; N354-G401 WeakPolarHBondContact O-CA 3.33Å; N354-Q402 PolarHBondContact O-N 3.04Å; N354-Q402 VanDerWaalsContact O-N 3.08Å; N354-R403 HydrophobicContact CB-CG 4.49Å; N354-R403 PolarHBondContact O-N 2.96Å; N354-R403 WeakPolarHBondContact OD1-CG 3.43Å; N354-R403 PolarHBondContact OD1-NE 3.41Å; N354-R403 PolarHBondContact OD1-NH2 3.06Å
355	F	95.7	Very high	92.4	Very high	1 Å²	1	36.2 Å²	36.2	0%	0.004	18%	0.18	C	C	.	.	S	Bend	trans	-113.5	68.2	-172.8	-62.6	-84.7	0	0	0	112	Y342 E345 R353 A357 Y377 M378 L392 V394 F400	Y342-F355 AromaticContact CD1-CE1 3.94Å; Y342-F355 HydrophobicContact CD1-CE1 3.94Å; Y342-F355 HydrophobicContact CD1-CZ 4.16Å; Y342-F355 AromaticContact CG-CE1 3.99Å; Y342-F355 HydrophobicContact CG-CE1 3.99Å; Y342-F355 HydrophobicContact CG-CZ 4.3Å; Y342-F355 VanDerWaalsContact O-CE2 3.29Å; Y342-F355 WeakPolarHBondContact O-CE2 3.43Å; E345-F355 HydrophobicContact CB-CE2 3.82Å; E345-F355 HydrophobicContact CB-CZ 3.91Å; E345-F355 HydrophobicContact CG-CE2 3.91Å; E345-F355 HydrophobicContact CG-CZ 4.06Å; R353-F355 VanDerWaalsContact C-N 3.28Å; R353-F355 PolarHBondContact O-N 3.41Å; F355-A357 PolarHBondContact O-N 2.85Å; F355-Y377 WeakPolarHBondContact O-CA 3.16Å; F355-M378 HydrophobicContact CB-CB 3.84Å; F355-M378 HydrophobicContact CB-CE 3.97Å; F355-M378 HydrophobicContact CD1-CE 3.56Å; F355-M378 HydrophobicContact CD2-CE 4.41Å; F355-M378 HydrophobicContact CE1-CE 4.12Å; F355-M378 HydrophobicContact CG-CE 3.73Å; F355-M378 PolarHBondContact O-N 3.42Å; F355-L392 HydrophobicContact CB-CD1 3.7Å; F355-L392 HydrophobicContact CD1-CD1 4.02Å; F355-L392 HydrophobicContact CG-CD1 4.35Å; F355-V394 HydrophobicContact CD1-CG1 3.79Å; F355-V394 HydrophobicContact CE1-CG1 3.87Å; F355-F400 HydrophobicContact CE1-CB 3.93Å; F355-F400 HydrophobicContact CZ-CB 4.02Å
356	P	93.7	Very high	92.1	Very high	8 Å²	8	37.9 Å²	37.9	5%	0.052	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	128.2	176.8	28.5	-33.4	0	0	0	110.3	N354 R375 A376 Y377 L392	N354-P356 WeakPolarHBondContact O-CD 3.33Å; P356-R375 VanDerWaalsContact CB-CZ 3.47Å; P356-A376 WeakPolarHBondContact CA-O 3Å; P356-Y377 HydrophobicContact CB-CD1 4.2Å; P356-Y377 HydrophobicContact CB-CE1 4.02Å; P356-L392 WeakPolarHBondContact O-CB 3.41Å
357	A	94.5	Very high	91.8	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	153.2	179.6	0	0	0	0	0	110.6	F317 F355 A376 Y390 I391 L392	F317-A357 HydrophobicContact CD1-CB 3.83Å; F317-A357 HydrophobicContact CE1-CB 3.75Å; F355-A357 PolarHBondContact O-N 2.85Å; A357-A376 PolarHBondContact N-O 2.89Å; A357-A376 PolarHBondContact O-N 3.33Å; A357-Y390 HydrophobicContact CB-CD1 3.96Å; A357-Y390 HydrophobicContact CB-CG 4.48Å; A357-I391 CarbonylContact C-O 3.52Å; A357-I391 VanDerWaalsContact CA-O 3.3Å; A357-I391 WeakPolarHBondContact CA-O 3.36Å; A357-L392 HydrophobicContact CB-CB 3.88Å; A357-L392 HydrophobicContact CB-CD1 4.48Å; A357-L392 HydrophobicContact CB-CD2 4.18Å; A357-L392 HydrophobicContact CB-CG 4.41Å
358	V	93.7	Very high	91.6	Very high	22 Å²	22	48.8 Å²	48.8	13%	0.133	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	150.5	179.1	-45.5	0	0	0	0	110.4	A360 Y366 R375 Y390 I391 Q409	V358-A360 PolarHBondContact O-N 3.17Å; V358-Y366 HydrophobicContact CG1-CE2 4.36Å; V358-Y366 HydrophobicContact CG2-CD2 3.37Å; V358-Y366 HydrophobicContact CG2-CE2 3.79Å; V358-Y366 HydrophobicContact CG2-CG 4.4Å; V358-R375 HydrophobicContact CG1-CG 4.5Å; V358-Y390 CarbonylContact O-C 3.52Å; V358-Y390 WeakPolarHBondContact O-CA 3.34Å; V358-I391 PolarHBondContact N-O 2.62Å; V358-I391 PolarHBondContact O-N 3.34Å; V358-Q409 VanDerWaalsContact CB-NE2 3.3Å
359	P	94.6	Very high	91.3	Very high	24 Å²	24	52.5 Å²	52.5	16%	0.156	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	125.6	171.9	-20.1	32.7	0	0	0	110.2	F372 D389 Y390	P359-F372 WeakPolarHBondContact CB-O 3.18Å; P359-D389 WeakPolarHBondContact CA-O 3.46Å; P359-Y390 HydrophobicContact CG-CD1 4.4Å; P359-Y390 HydrophobicContact CG-CE1 3.73Å; P359-Y390 HydrophobicContact CG-CE2 4.27Å
360	A	93.2	Very high	91	Very high	6 Å²	6	56 Å²	56	5%	0.05	27%	0.274	C	S	.	.			trans	-160.7	144.8	176.9	0	0	0	0	0	110.6	V358 Q365 D389 I391	V358-A360 PolarHBondContact O-N 3.17Å; A360-Q365 HydrophobicContact CB-CB 4.45Å; A360-D389 PolarHBondContact N-O 3.04Å; A360-I391 HydrophobicContact CB-CB 4.14Å; A360-I391 HydrophobicContact CB-CD1 3.85Å; A360-I391 HydrophobicContact CB-CG1 4.07Å; A360-I391 WeakPolarHBondContact O-CD1 3.46Å
361	N	90.4	Very high	90.3	Very high	133 Å²	133	55.7 Å²	55.7	71%	0.711	27%	0.27	S	S	*	.	S	Bend	trans	-85.2	-13	176.8	-63.3	-51.7	0	0	0	112.8
362	S	91.7	Very high	89.5	Confident	46 Å²	46	57.9 Å²	57.9	32%	0.322	28%	0.277	S	S	.	.	S	Bend	trans	-157.9	157.5	179	68.8	0	0	0	0	112	K364 Q365 Y366 I391	S362-K364 PolarHBondContact O-N 3.09Å; S362-Q365 PolarHBondContact O-N 3.3Å; S362-Q365 PolarHBondContact OG-N 3.01Å; S362-Q365 VanDerWaalsContact OG-N 3.1Å; S362-Y366 PolarHBondContact O-N 2.62Å; S362-I391 WeakPolarHBondContact O-CD1 3.23Å
363	L	92.2	Very high	89.1	Confident	48 Å²	48	57.8 Å²	57.8	25%	0.251	29%	0.287	S	S	.	.	H	α-helix	trans	-58.9	-32.8	173.1	-176.6	64.9	0	0	0	111.6	N320 Y366 K367 I391 E393	N320-L363 WeakPolarHBondContact O-CD2 3.5Å; L363-Y366 HydrophobicContact CD1-CD1 4.13Å; L363-Y366 WeakPolarHBondContact O-CB 3.39Å; L363-Y366 PolarHBondContact O-N 2.83Å; L363-K367 HydrophobicContact CD1-CG 4.44Å; L363-K367 HydrophobicContact CG-CD 4.29Å; L363-K367 HydrophobicContact CG-CG 4.45Å; L363-K367 WeakPolarHBondContact O-CG 3.45Å; L363-K367 PolarHBondContact O-N 3Å; L363-I391 HydrophobicContact CD1-CG2 3.98Å; L363-E393 HydrophobicContact CD1-CG 4.49Å
364	K	93.3	Very high	88.9	Confident	138 Å²	138	54.6 Å²	54.6	60%	0.6	28%	0.278	S	S	*	.	H	α-helix	trans	-61.1	-53.3	175.8	-177.1	-177.7	172.1	-173.3	0	111	S362 Y366 K367 E368	S362-K364 PolarHBondContact O-N 3.09Å; K364-Y366 VanDerWaalsContact C-N 3.29Å; K364-Y366 PolarHBondContact O-N 3.18Å; K364-K367 PolarHBondContact O-N 3.4Å; K364-K367 VanDerWaalsContact O-N 3.09Å; K364-E368 VanDerWaalsContact CE-CD 3.48Å; K364-E368 WeakPolarHBondContact CE-OE1 3.47Å; K364-E368 WeakPolarHBondContact CE-OE2 3.39Å; K364-E368 HydrophobicContact CG-CG 4.48Å; K364-E368 IonicContact NZ-OE1 3.58Å; K364-E368 WeakPolarHBondContact O-CB 3.3Å; K364-E368 WeakPolarHBondContact O-CG 3.35Å; K364-E368 PolarHBondContact O-N 3.47Å
365	Q	91.7	Very high	88.7	Confident	29 Å²	29	56.6 Å²	56.6	14%	0.136	29%	0.285	C	S	.	.	H	α-helix	trans	-58.6	-41.3	177.7	-173.5	-176.5	20.7	0	0	111.9	A360 S362 K367 E368 Q369 D370	A360-Q365 HydrophobicContact CB-CB 4.45Å; S362-Q365 PolarHBondContact O-N 3.3Å; S362-Q365 PolarHBondContact OG-N 3.01Å; S362-Q365 VanDerWaalsContact OG-N 3.1Å; Q365-K367 PolarHBondContact O-N 3.43Å; Q365-E368 PolarHBondContact O-N 3.16Å; Q365-Q369 PolarHBondContact O-N 2.75Å; Q365-D370 HydrophobicContact CG-CB 4.05Å; Q365-D370 WeakPolarHBondContact CG-O 3.48Å; Q365-D370 PolarHBondContact NE2-O 3.3Å; Q365-D370 PolarHBondContact O-N 2.93Å; Q365-D370 VanDerWaalsContact O-N 3.15Å
366	Y	91.2	Very high	88.6	Confident	38 Å²	38	56.7 Å²	56.7	15%	0.149	29%	0.286	C	S	.	.	H	α-helix	trans	-56.4	-50	174	169.9	-85.9	0	0	0	111.6	V358 S362 L363 K364 E368 Q369 I391 E393	V358-Y366 HydrophobicContact CG1-CE2 4.36Å; V358-Y366 HydrophobicContact CG2-CD2 3.37Å; V358-Y366 HydrophobicContact CG2-CE2 3.79Å; V358-Y366 HydrophobicContact CG2-CG 4.4Å; S362-Y366 PolarHBondContact O-N 2.62Å; L363-Y366 HydrophobicContact CD1-CD1 4.13Å; L363-Y366 WeakPolarHBondContact O-CB 3.39Å; L363-Y366 PolarHBondContact O-N 2.83Å; K364-Y366 VanDerWaalsContact C-N 3.29Å; K364-Y366 PolarHBondContact O-N 3.18Å; Y366-E368 VanDerWaalsContact C-N 3.35Å; Y366-E368 PolarHBondContact O-N 2.91Å; Y366-Q369 PolarHBondContact O-N 2.99Å; Y366-Q369 VanDerWaalsContact O-N 3.15Å; Y366-I391 HydrophobicContact CD1-CG2 4.36Å; Y366-I391 HydrophobicContact CD2-CB 3.94Å; Y366-I391 HydrophobicContact CD2-CG2 3.85Å; Y366-I391 VanDerWaalsContact CD2-O 3.26Å; Y366-I391 WeakPolarHBondContact CD2-O 3.5Å; Y366-I391 WeakPolarHBondContact CE2-O 3.4Å; Y366-I391 HydrophobicContact CG-CB 4.19Å; Y366-I391 HydrophobicContact CG-CG2 3.71Å; Y366-E393 HydrophobicContact CD1-CG 4.4Å; Y366-E393 HydrophobicContact CE1-CB 4.46Å; Y366-E393 HydrophobicContact CE1-CG 3.66Å
367	K	90.4	Very high	88.7	Confident	118 Å²	118	59.1 Å²	59.1	51%	0.513	30%	0.295	S	S	.	.	H	α-helix	trans	-68.2	-34.1	-177.7	-74.2	-174	174.1	-164.1	0	113.1	L363 K364 Q365 Q369 E393	L363-K367 HydrophobicContact CD1-CG 4.44Å; L363-K367 HydrophobicContact CG-CD 4.29Å; L363-K367 HydrophobicContact CG-CG 4.45Å; L363-K367 WeakPolarHBondContact O-CG 3.45Å; L363-K367 PolarHBondContact O-N 3Å; K364-K367 PolarHBondContact O-N 3.4Å; K364-K367 VanDerWaalsContact O-N 3.09Å; Q365-K367 PolarHBondContact O-N 3.43Å; K367-Q369 PolarHBondContact O-N 3.34Å; K367-E393 WeakPolarHBondContact CE-OE1 3.42Å; K367-E393 IonicContact NZ-OE1 3.11Å; K367-E393 PolarHBondContact NZ-OE1 3.35Å
368	E	91.1	Very high	88.8	Confident	115 Å²	115	59.1 Å²	59.1	54%	0.537	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-3.7	176.4	-69.9	172.2	167.7	0	0	112.5	K364 Q365 Y366 D370	K364-E368 VanDerWaalsContact CE-CD 3.48Å; K364-E368 WeakPolarHBondContact CE-OE1 3.47Å; K364-E368 WeakPolarHBondContact CE-OE2 3.39Å; K364-E368 HydrophobicContact CG-CG 4.48Å; K364-E368 IonicContact NZ-OE1 3.58Å; K364-E368 WeakPolarHBondContact O-CB 3.3Å; K364-E368 WeakPolarHBondContact O-CG 3.35Å; K364-E368 PolarHBondContact O-N 3.47Å; Q365-E368 PolarHBondContact O-N 3.16Å; Y366-E368 VanDerWaalsContact C-N 3.35Å; Y366-E368 PolarHBondContact O-N 2.91Å; E368-D370 HydrophobicContact CB-CB 4.3Å; E368-D370 PolarHBondContact O-N 3.15Å
369	Q	85.9	Confident	89	Confident	128 Å²	128	58.1 Å²	58.1	60%	0.598	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	27.2	-176	-56.1	-176.1	-5.3	0	0	113.2	Q365 Y366 K367 G371	Q365-Q369 PolarHBondContact O-N 2.75Å; Y366-Q369 PolarHBondContact O-N 2.99Å; Y366-Q369 VanDerWaalsContact O-N 3.15Å; K367-Q369 PolarHBondContact O-N 3.34Å; Q369-G371 VanDerWaalsContact C-N 3.27Å; Q369-G371 PolarHBondContact O-N 2.88Å
370	D	82.9	Confident	89	Confident	83 Å²	83	57.9 Å²	57.9	44%	0.444	29%	0.286	S	S	.	.			trans	-93.4	20.8	-177.8	-172.9	42	0	0	0	112	Q365 E368	Q365-D370 HydrophobicContact CG-CB 4.05Å; Q365-D370 WeakPolarHBondContact CG-O 3.48Å; Q365-D370 PolarHBondContact NE2-O 3.3Å; Q365-D370 PolarHBondContact O-N 2.93Å; Q365-D370 VanDerWaalsContact O-N 3.15Å; E368-D370 HydrophobicContact CB-CB 4.3Å; E368-D370 PolarHBondContact O-N 3.15Å
371	G	71.8	Confident	88.9	Confident	5 Å²	5	63.1 Å²	63.1	5%	0.052	31%	0.309	C	S	.	.			trans	-91.3	141.3	178	0	0	0	0	0	112	Q369	Q369-G371 VanDerWaalsContact C-N 3.27Å; Q369-G371 PolarHBondContact O-N 2.88Å
372	F	72.6	Confident	89.1	Confident	65 Å²	65	57.1 Å²	57.1	29%	0.285	28%	0.278	S	S	.	.			trans	-110.7	131.5	175.9	-56.6	-85.1	0	0	0	110.4	P359 A410 M415	P359-F372 WeakPolarHBondContact CB-O 3.18Å; F372-A410 HydrophobicContact CD1-CB 4.35Å; F372-A410 HydrophobicContact CE1-CB 4.03Å; F372-M415 HydrophobicContact CE1-SD 4.23Å; F372-M415 HydrophobicContact CE2-SD 4.36Å; F372-M415 HydrophobicContact CZ-CE 3.89Å; F372-M415 HydrophobicContact CZ-CG 4.49Å; F372-M415 HydrophobicContact CZ-SD 3.69Å
373	G	78.9	Confident	89.2	Confident	39 Å²	39	58.3 Å²	58.3	40%	0.402	28%	0.28	S	S	.	.	S	Bend	trans	134.4	-175.3	167.8	0	0	0	0	0	113.9	R375 Q409	G373-R375 PolarHBondContact O-N 3.18Å; G373-Q409 PolarHBondContact O-OE1 3.26Å
374	K	84.7	Confident	89.3	Confident	97 Å²	97	60 Å²	60	42%	0.422	28%	0.284	S	S	.	.			trans	-74	120.2	-172.9	-177.5	177.6	170.2	-165.1	0	110.1	A376 D383 D385 L386 Y390	K374-A376 PolarHBondContact O-N 3.33Å; K374-D383 IonicContact NZ-OD2 2.83Å; K374-D383 PolarHBondContact NZ-OD2 2.65Å; K374-D385 IonicContact NZ-OD1 3.76Å; K374-D385 PolarHBondContact NZ-OD1 2.89Å; K374-D385 IonicContact NZ-OD2 2.71Å; K374-D385 PolarHBondContact NZ-OD2 3.2Å; K374-L386 HydrophobicContact CB-CD2 4.38Å; K374-L386 HydrophobicContact CD-CD2 3.84Å; K374-L386 HydrophobicContact CG-CD2 4.21Å; K374-Y390 VanDerWaalsContact O-CE1 3.26Å; K374-Y390 WeakPolarHBondContact O-CE1 3.49Å; K374-Y390 PolarHBondContact O-OH 2.9Å
375	R	89.2	Confident	89.3	Confident	46 Å²	46	57.9 Å²	57.9	17%	0.174	28%	0.279	C	S	.	.			trans	-53.4	135.8	166.1	-172.3	-176.2	-163.8	-162	11.2	110.1	P356 V358 G373 Y377 S404 P405	P356-R375 VanDerWaalsContact CB-CZ 3.47Å; V358-R375 HydrophobicContact CG1-CG 4.5Å; G373-R375 PolarHBondContact O-N 3.18Å; R375-Y377 PolarHBondContact NH1-OH 3.22Å; R375-S404 PolarHBondContact NH1-O 3.17Å; R375-S404 PolarHBondContact NH2-O 3.3Å; R375-P405 PolarHBondContact NH2-O 2.95Å
376	A	93.3	Very high	89.4	Confident	3 Å²	3	56.8 Å²	56.8	3%	0.025	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	172.2	178.4	0	0	0	0	0	111.3	P356 A357 K374 I382 L386 Y390	P356-A376 WeakPolarHBondContact CA-O 3Å; A357-A376 PolarHBondContact N-O 2.89Å; A357-A376 PolarHBondContact O-N 3.33Å; K374-A376 PolarHBondContact O-N 3.33Å; A376-I382 HydrophobicContact CB-CD1 4.04Å; A376-L386 HydrophobicContact CB-CD1 3.42Å; A376-L386 VanDerWaalsContact CB-CD1 3.42Å; A376-L386 HydrophobicContact CB-CD2 4.42Å; A376-Y390 HydrophobicContact CB-CD1 3.79Å; A376-Y390 HydrophobicContact CB-CE1 3.39Å
377	Y	94.8	Very high	89.6	Confident	58 Å²	58	60.6 Å²	60.6	23%	0.227	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	112.3	172.4	-61.9	-80.7	0	0	0	108.7	R353 F355 P356 R375 I382	R353-Y377 HydrophobicContact CB-CD1 3.65Å; R353-Y377 HydrophobicContact CB-CE1 3.59Å; R353-Y377 HydrophobicContact CB-CG 4.19Å; R353-Y377 HydrophobicContact CG-CD1 3.95Å; R353-Y377 HydrophobicContact CG-CD2 4.06Å; R353-Y377 HydrophobicContact CG-CE1 3.93Å; R353-Y377 HydrophobicContact CG-CE2 4.06Å; R353-Y377 HydrophobicContact CG-CG 4Å; R353-Y377 WeakPolarHBondContact O-CD1 3.27Å; F355-Y377 WeakPolarHBondContact O-CA 3.16Å; P356-Y377 HydrophobicContact CB-CD1 4.2Å; P356-Y377 HydrophobicContact CB-CE1 4.02Å; R375-Y377 PolarHBondContact NH1-OH 3.22Å; Y377-I382 WeakPolarHBondContact O-CD1 3.18Å
378	M	97.2	Very high	89.8	Confident	1 Å²	1	56 Å²	56	1%	0.005	27%	0.274	C	S	.	.			trans	-63.4	134.9	179.2	179.3	-174	77.8	0	0	110.4	I299 F317 P319 Y342 F355 L392	I299-M378 HydrophobicContact CB-SD 4.28Å; I299-M378 HydrophobicContact CD1-CE 4.23Å; I299-M378 HydrophobicContact CD1-CG 3.78Å; I299-M378 HydrophobicContact CD1-SD 3.85Å; I299-M378 HydrophobicContact CG1-CG 3.89Å; I299-M378 HydrophobicContact CG1-SD 3.77Å; I299-M378 HydrophobicContact CG2-CE 4.26Å; I299-M378 HydrophobicContact CG2-SD 3.64Å; F317-M378 HydrophobicContact CB-CG 3.92Å; F317-M378 HydrophobicContact CB-SD 3.56Å; F317-M378 VanDerWaalsContact CB-SD 3.56Å; F317-M378 HydrophobicContact CD1-CB 3.64Å; F317-M378 HydrophobicContact CD1-CG 3.85Å; F317-M378 HydrophobicContact CD1-SD 4.3Å; F317-M378 HydrophobicContact CD2-CB 4.18Å; F317-M378 HydrophobicContact CD2-CG 3.65Å; F317-M378 HydrophobicContact CD2-SD 4.43Å; F317-M378 HydrophobicContact CE1-CB 3.79Å; F317-M378 HydrophobicContact CE1-CG 4.33Å; F317-M378 HydrophobicContact CE2-CB 4.29Å; F317-M378 HydrophobicContact CE2-CG 4.14Å; F317-M378 HydrophobicContact CG-CB 3.86Å; F317-M378 HydrophobicContact CG-CG 3.5Å; F317-M378 HydrophobicContact CG-SD 3.85Å; F317-M378 HydrophobicContact CZ-CB 4.13Å; F317-M378 HydrophobicContact CZ-CG 4.47Å; P319-M378 HydrophobicContact CG-CE 4.25Å; P319-M378 HydrophobicContact CG-SD 3.96Å; Y342-M378 HydrophobicContact CD2-CE 4.23Å; Y342-M378 HydrophobicContact CG-CE 4.32Å; F355-M378 HydrophobicContact CB-CB 3.84Å; F355-M378 HydrophobicContact CB-CE 3.97Å; F355-M378 HydrophobicContact CD1-CE 3.56Å; F355-M378 HydrophobicContact CD2-CE 4.41Å; F355-M378 HydrophobicContact CE1-CE 4.12Å; F355-M378 HydrophobicContact CG-CE 3.73Å; F355-M378 PolarHBondContact O-N 3.42Å; M378-L392 HydrophobicContact CB-CD1 4.18Å; M378-L392 HydrophobicContact CE-CD1 3.84Å; M378-L392 HydrophobicContact SD-CD1 3.98Å; M378-L392 HydrophobicContact SD-CD2 4.15Å
379	G	97	Very high	90	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.01	26%	0.256	C	S	.	.	S	Bend	trans	123.6	-147.7	171.7	0	0	0	0	0	114.1	R268 S346 Q381 I382	R268-G379 PolarHBondContact NH2-O 3.09Å; S346-G379 VanDerWaalsContact OG-CA 3.28Å; S346-G379 WeakPolarHBondContact OG-CA 3.45Å; G379-Q381 PolarHBondContact O-N 2.97Å; G379-I382 PolarHBondContact O-N 2.99Å
380	L	95.1	Very high	90.5	Very high	18 Å²	18	46.2 Å²	46.2	9%	0.094	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-45.8	-169	-173.1	68.8	0	0	0	113.2	K151 R268 F343 S346 V347 I382	K151-L380 HydrophobicContact CD-CD2 4Å; R268-L380 PolarHBondContact NH1-O 3.31Å; F343-L380 HydrophobicContact CE1-CD1 4.47Å; F343-L380 HydrophobicContact CZ-CB 4.4Å; F343-L380 HydrophobicContact CZ-CD1 3.99Å; S346-L380 PolarHBondContact OG-N 2.77Å; V347-L380 HydrophobicContact CB-CD2 4.43Å; V347-L380 HydrophobicContact CG1-CD2 4.39Å; V347-L380 HydrophobicContact CG2-CB 4.14Å; V347-L380 HydrophobicContact CG2-CD2 4.13Å; V347-L380 HydrophobicContact CG2-CG 4.49Å; L380-I382 PolarHBondContact O-N 3.31Å
381	Q	91.1	Very high	91.1	Very high	116 Å²	116	42.4 Å²	42.4	54%	0.542	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	29.5	-177.8	-69	-164.1	-13.2	0	0	114.1	E352 G379	E352-Q381 HydrophobicContact CB-CB 4.25Å; E352-Q381 HydrophobicContact CB-CG 3.85Å; E352-Q381 VanDerWaalsContact CG-CD 3.47Å; E352-Q381 HydrophobicContact CG-CG 3.97Å; G379-Q381 PolarHBondContact O-N 2.97Å
382	I	94.8	Very high	92.2	Very high	8 Å²	8	42.1 Å²	42.1	4%	0.041	21%	0.206	C	C	.	.			trans	-60.8	146.6	174.9	-166.5	59.5	0	0	0	111.1	F295 F317 A376 Y377 G379 L380 L386	F295-I382 HydrophobicContact CE1-CG2 3.58Å; F295-I382 HydrophobicContact CZ-CG1 4.2Å; F295-I382 HydrophobicContact CZ-CG2 4.03Å; F317-I382 HydrophobicContact CE1-CD1 4.45Å; F317-I382 HydrophobicContact CE2-CD1 4.05Å; F317-I382 HydrophobicContact CE2-CG1 4.29Å; F317-I382 HydrophobicContact CZ-CD1 3.44Å; F317-I382 VanDerWaalsContact CZ-CD1 3.44Å; F317-I382 HydrophobicContact CZ-CG1 4.15Å; A376-I382 HydrophobicContact CB-CD1 4.04Å; Y377-I382 WeakPolarHBondContact O-CD1 3.18Å; G379-I382 PolarHBondContact O-N 2.99Å; L380-I382 PolarHBondContact O-N 3.31Å; I382-L386 HydrophobicContact CD1-CD1 3.31Å; I382-L386 HydrophobicContact CG1-CD1 3.92Å
383	D	92.9	Very high	93.3	Very high	70 Å²	70	41.3 Å²	41.3	37%	0.374	20%	0.203	S	C	.	.			trans	-81.6	130.1	174.5	-168.4	-16.7	0	0	0	110.3	K374 D385 L386	K374-D383 IonicContact NZ-OD2 2.83Å; K374-D383 PolarHBondContact NZ-OD2 2.65Å; D383-D385 PolarHBondContact O-N 3.42Å; D383-D385 PolarHBondContact OD1-N 3.44Å; D383-L386 HydrophobicContact CB-CD1 3.79Å; D383-L386 HydrophobicContact CB-CG 3.89Å; D383-L386 WeakPolarHBondContact O-CB 3.31Å; D383-L386 WeakPolarHBondContact O-CG 3.4Å; D383-L386 PolarHBondContact O-N 3.25Å
384	Y	94.8	Very high	94.1	Very high	84 Å²	84	39.7 Å²	39.7	33%	0.329	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-13.9	-174.5	-73.9	106.8	0	0	0	113.1	R267 R268 F295 L386 R387	R267-Y384 PolarHBondContact NH1-OH 3.3Å; R268-Y384 HydrophobicContact CB-CE2 4.2Å; R268-Y384 WeakPolarHBondContact CD-OH 3.3Å; R268-Y384 HydrophobicContact CG-CE2 4.28Å; F295-Y384 HydrophobicContact CB-CD2 3.33Å; F295-Y384 HydrophobicContact CB-CE2 3.67Å; F295-Y384 AromaticContact CD1-CD2 3.51Å; F295-Y384 HydrophobicContact CD1-CD2 3.51Å; F295-Y384 AromaticContact CD1-CE2 3.6Å; F295-Y384 HydrophobicContact CD1-CE2 3.6Å; F295-Y384 AromaticContact CD2-CD2 3.91Å; F295-Y384 HydrophobicContact CD2-CD2 3.91Å; F295-Y384 WeakPolarHBondContact CD2-O 3.35Å; F295-Y384 HydrophobicContact CE1-CD2 4.21Å; F295-Y384 HydrophobicContact CE1-CE2 4.4Å; F295-Y384 AromaticContact CG-CD2 3.33Å; F295-Y384 HydrophobicContact CG-CD2 3.33Å; F295-Y384 AromaticContact CG-CE2 3.81Å; F295-Y384 HydrophobicContact CG-CE2 3.81Å; F295-Y384 HydrophobicContact CG-CG 4.43Å; Y384-L386 VanDerWaalsContact C-N 3.33Å; Y384-R387 PolarHBondContact O-NH1 3.21Å
385	D	93.7	Very high	94.6	Very high	93 Å²	93	38 Å²	38	50%	0.497	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-12.3	175.3	77.3	-8.5	0	0	0	113.8	K374 D383 R387	K374-D385 IonicContact NZ-OD1 3.76Å; K374-D385 PolarHBondContact NZ-OD1 2.89Å; K374-D385 IonicContact NZ-OD2 2.71Å; K374-D385 PolarHBondContact NZ-OD2 3.2Å; D383-D385 PolarHBondContact O-N 3.42Å; D383-D385 PolarHBondContact OD1-N 3.44Å; D385-R387 VanDerWaalsContact C-NH1 3.29Å; D385-R387 PolarHBondContact O-NH1 3.21Å
386	L	93.5	Very high	94.9	Very high	7 Å²	7	37.8 Å²	37.8	4%	0.037	19%	0.19	C	C	.	.			trans	-73.2	144.1	-172.3	-65.5	172.3	0	0	0	111.8	V315 K374 A376 I382 D383 Y384 Y390	V315-L386 HydrophobicContact CG2-CB 3.53Å; V315-L386 WeakPolarHBondContact CG2-O 3.49Å; K374-L386 HydrophobicContact CB-CD2 4.38Å; K374-L386 HydrophobicContact CD-CD2 3.84Å; K374-L386 HydrophobicContact CG-CD2 4.21Å; A376-L386 HydrophobicContact CB-CD1 3.42Å; A376-L386 VanDerWaalsContact CB-CD1 3.42Å; A376-L386 HydrophobicContact CB-CD2 4.42Å; I382-L386 HydrophobicContact CD1-CD1 3.31Å; I382-L386 HydrophobicContact CG1-CD1 3.92Å; D383-L386 HydrophobicContact CB-CD1 3.79Å; D383-L386 HydrophobicContact CB-CG 3.89Å; D383-L386 WeakPolarHBondContact O-CB 3.31Å; D383-L386 WeakPolarHBondContact O-CG 3.4Å; D383-L386 PolarHBondContact O-N 3.25Å; Y384-L386 VanDerWaalsContact C-N 3.33Å; L386-Y390 WeakPolarHBondContact CD2-OH 3.45Å
387	R	94.9	Very high	94.9	Very high	117 Å²	117	45.8 Å²	45.8	44%	0.442	22%	0.224	S	C	.	.			trans	-141.7	146.9	177.6	-63.1	-63.1	178.6	-70.6	3.4	111.2	D314 Y384 D385	D314-R387 CarbonylContact O-C 3.5Å; D314-R387 VanDerWaalsContact O-CA 3.25Å; D314-R387 WeakPolarHBondContact O-CA 3.42Å; D314-R387 IonicContact OD1-CZ 2.86Å; D314-R387 IonicContact OD1-NE 2.67Å; D314-R387 PolarHBondContact OD1-NE 3.1Å; D314-R387 IonicContact OD1-NH2 3.46Å; Y384-R387 PolarHBondContact O-NH1 3.21Å; D385-R387 VanDerWaalsContact C-NH1 3.29Å; D385-R387 PolarHBondContact O-NH1 3.21Å
388	G	94.6	Very high	94.7	Very high	22 Å²	22	46.2 Å²	46.2	23%	0.227	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	102.6	-163.9	170.3	0	0	0	0	0	114.7	D314 V315 D316	D314-G388 PolarHBondContact O-N 2.84Å; V315-G388 WeakPolarHBondContact CA-O 3.06Å; D316-G388 PolarHBondContact N-O 2.96Å
389	D	95.4	Very high	94.4	Very high	28 Å²	28	50.3 Å²	50.3	15%	0.15	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	130.8	-173.6	-59.1	-10.1	0	0	0	110	R311 D316 Y318 P359 A360	R311-D389 IonicContact CZ-OD2 2.65Å; R311-D389 IonicContact NE-OD1 2.7Å; R311-D389 PolarHBondContact NE-OD1 3.36Å; R311-D389 VanDerWaalsContact NE-OD1 3.17Å; R311-D389 IonicContact NE-OD2 3.47Å; R311-D389 PolarHBondContact NE-OD2 3.04Å; R311-D389 IonicContact NH2-OD2 3.89Å; R311-D389 PolarHBondContact NH2-OD2 3.4Å; D316-D389 WeakPolarHBondContact O-CA 3.43Å; Y318-D389 HydrophobicContact CD2-CB 4.44Å; Y318-D389 HydrophobicContact CE2-CB 4.06Å; P359-D389 WeakPolarHBondContact CA-O 3.46Å; A360-D389 PolarHBondContact N-O 3.04Å
390	Y	96.6	Very high	94.3	Very high	9 Å²	9	51 Å²	51	4%	0.035	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	134.3	-177.4	-84.1	-103.4	0	0	0	111.1	V315 D316 F317 Y318 A357 V358 P359 K374 A376 L386	V315-Y390 HydrophobicContact CG1-CD2 3.54Å; V315-Y390 HydrophobicContact CG1-CE2 4.07Å; V315-Y390 HydrophobicContact CG1-CG 4.21Å; D316-Y390 PolarHBondContact O-N 3.4Å; F317-Y390 CarbonylContact C-O 3.14Å; F317-Y390 WeakPolarHBondContact CA-O 3.22Å; F317-Y390 VanDerWaalsContact CD1-CB 3.4Å; F317-Y390 HydrophobicContact CD1-CG 4.28Å; F317-Y390 VanDerWaalsContact CE1-CB 3.47Å; F317-Y390 HydrophobicContact CE1-CD1 4.16Å; F317-Y390 AromaticContact CE1-CG 3.84Å; F317-Y390 HydrophobicContact CE1-CG 3.84Å; Y318-Y390 PolarHBondContact N-O 2.94Å; A357-Y390 HydrophobicContact CB-CD1 3.96Å; A357-Y390 HydrophobicContact CB-CG 4.48Å; V358-Y390 CarbonylContact O-C 3.52Å; V358-Y390 WeakPolarHBondContact O-CA 3.34Å; P359-Y390 HydrophobicContact CG-CD1 4.4Å; P359-Y390 HydrophobicContact CG-CE1 3.73Å; P359-Y390 HydrophobicContact CG-CE2 4.27Å; K374-Y390 VanDerWaalsContact O-CE1 3.26Å; K374-Y390 WeakPolarHBondContact O-CE1 3.49Å; K374-Y390 PolarHBondContact O-OH 2.9Å; A376-Y390 HydrophobicContact CB-CD1 3.79Å; A376-Y390 HydrophobicContact CB-CE1 3.39Å; L386-Y390 WeakPolarHBondContact CD2-OH 3.45Å
391	I	96.1	Very high	94.2	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.015	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	146.6	178	-58	-175.4	0	0	0	109.2	A357 V358 A360 S362 L363 Y366	A357-I391 CarbonylContact C-O 3.52Å; A357-I391 VanDerWaalsContact CA-O 3.3Å; A357-I391 WeakPolarHBondContact CA-O 3.36Å; V358-I391 PolarHBondContact N-O 2.62Å; V358-I391 PolarHBondContact O-N 3.34Å; A360-I391 HydrophobicContact CB-CB 4.14Å; A360-I391 HydrophobicContact CB-CD1 3.85Å; A360-I391 HydrophobicContact CB-CG1 4.07Å; A360-I391 WeakPolarHBondContact O-CD1 3.46Å; S362-I391 WeakPolarHBondContact O-CD1 3.23Å; L363-I391 HydrophobicContact CD1-CG2 3.98Å; Y366-I391 HydrophobicContact CD1-CG2 4.36Å; Y366-I391 HydrophobicContact CD2-CB 3.94Å; Y366-I391 HydrophobicContact CD2-CG2 3.85Å; Y366-I391 VanDerWaalsContact CD2-O 3.26Å; Y366-I391 WeakPolarHBondContact CD2-O 3.5Å; Y366-I391 WeakPolarHBondContact CE2-O 3.4Å; Y366-I391 HydrophobicContact CG-CB 4.19Å; Y366-I391 HydrophobicContact CG-CG2 3.71Å
392	L	95.6	Very high	93.9	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	163.6	179.2	62.8	168.3	0	0	0	109.7	F317 P319 N320 F355 P356 A357 M378 V394	F317-L392 HydrophobicContact CB-CD2 4.41Å; F317-L392 HydrophobicContact CD1-CD2 4.43Å; P319-L392 HydrophobicContact CB-CD2 4.12Å; P319-L392 HydrophobicContact CB-CG 4.27Å; P319-L392 HydrophobicContact CG-CD2 3.91Å; P319-L392 HydrophobicContact CG-CG 4.43Å; N320-L392 PolarHBondContact N-O 3.46Å; F355-L392 HydrophobicContact CB-CD1 3.7Å; F355-L392 HydrophobicContact CD1-CD1 4.02Å; F355-L392 HydrophobicContact CG-CD1 4.35Å; P356-L392 WeakPolarHBondContact O-CB 3.41Å; A357-L392 HydrophobicContact CB-CB 3.88Å; A357-L392 HydrophobicContact CB-CD1 4.48Å; A357-L392 HydrophobicContact CB-CD2 4.18Å; A357-L392 HydrophobicContact CB-CG 4.41Å; M378-L392 HydrophobicContact CB-CD1 4.18Å; M378-L392 HydrophobicContact CE-CD1 3.84Å; M378-L392 HydrophobicContact SD-CD1 3.98Å; M378-L392 HydrophobicContact SD-CD2 4.15Å; L392-V394 HydrophobicContact CD1-CG1 4.18Å; L392-V394 HydrophobicContact CG-CG1 4.44Å
393	E	95.4	Very high	92.9	Very high	48 Å²	48	52.4 Å²	52.4	22%	0.224	27%	0.268	C	S	.	.			trans	-104.6	144.5	168.3	-74.5	-176.5	115.1	0	0	111.2	L363 Y366 K367	L363-E393 HydrophobicContact CD1-CG 4.49Å; Y366-E393 HydrophobicContact CD1-CG 4.4Å; Y366-E393 HydrophobicContact CE1-CB 4.46Å; Y366-E393 HydrophobicContact CE1-CG 3.66Å; K367-E393 WeakPolarHBondContact CE-OE1 3.42Å; K367-E393 IonicContact NZ-OE1 3.11Å; K367-E393 PolarHBondContact NZ-OE1 3.35Å
394	V	96.1	Very high	91.3	Very high	5 Å²	5	50.8 Å²	50.8	3%	0.03	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-133.2	153	178.2	-66.1	0	0	0	0	111.4	P319 N320 Y342 F355 L392 F400	P319-V394 HydrophobicContact CB-CG1 4.05Å; P319-V394 HydrophobicContact CB-CG2 3.8Å; N320-V394 WeakPolarHBondContact OD1-CG2 3.41Å; N320-V394 PolarHBondContact OD1-N 3.42Å; N320-V394 PolarHBondContact OD1-O 2.81Å; Y342-V394 HydrophobicContact CE1-CB 4.45Å; Y342-V394 HydrophobicContact CE1-CG2 4.44Å; Y342-V394 HydrophobicContact CE2-CG1 4.41Å; Y342-V394 HydrophobicContact CE2-CG2 3.95Å; Y342-V394 WeakPolarHBondContact OH-CG2 3.47Å; F355-V394 HydrophobicContact CD1-CG1 3.79Å; F355-V394 HydrophobicContact CE1-CG1 3.87Å; L392-V394 HydrophobicContact CD1-CG1 4.18Å; L392-V394 HydrophobicContact CG-CG1 4.44Å; V394-F400 CarbonylContact C-O 3.48Å; V394-F400 VanDerWaalsContact CA-O 3.29Å; V394-F400 WeakPolarHBondContact CA-O 3.36Å; V394-F400 WeakPolarHBondContact CB-O 3.42Å
395	N	95.4	Very high	89.4	Confident	60 Å²	60	51.5 Å²	51.5	32%	0.321	28%	0.277	S	S	.	.			trans	-80.3	155.4	178	-58.9	-34.8	0	0	0	111.6	K397 P399 F400 Q402	N395-K397 VanDerWaalsContact C-N 3.32Å; N395-K397 WeakPolarHBondContact CB-O 3.14Å; N395-K397 PolarHBondContact O-N 2.95Å; N395-P399 PolarHBondContact ND2-O 3.12Å; N395-F400 PolarHBondContact N-O 2.89Å; N395-F400 WeakPolarHBondContact O-CD1 3.46Å; N395-Q402 WeakPolarHBondContact OD1-CG 3.37Å; N395-Q402 PolarHBondContact OD1-NE2 3.43Å
396	A	95.2	Very high	87.4	Confident	43 Å²	43	50.8 Å²	50.8	36%	0.355	28%	0.284	S	S	.	.	S	Bend	trans	-69.1	-29.9	175.5	0	0	0	0	0	113.2	P327 R338	P327-A396 HydrophobicContact CB-CB 3.96Å; P327-A396 WeakPolarHBondContact O-CA 3.31Å; R338-A396 PolarHBondContact NH1-O 2.97Å; R338-A396 PolarHBondContact NH2-O 2.7Å
397	K	92.8	Very high	85.5	Confident	171 Å²	171	56.1 Å²	56.1	74%	0.743	31%	0.309	S	S	*	.	S	Bend	trans	-121.2	158.8	179.9	-64.2	-178.5	-177.9	177.1	0	110.1	N395 P399 F400	N395-K397 VanDerWaalsContact C-N 3.32Å; N395-K397 WeakPolarHBondContact CB-O 3.14Å; N395-K397 PolarHBondContact O-N 2.95Å; K397-P399 CarbonylContact O-C 3.54Å; K397-F400 WeakPolarHBondContact O-CD1 3.47Å
398	S	89.7	Confident	83.5	Confident	67 Å²	67	60.4 Å²	60.4	47%	0.469	33%	0.33	S	S	.	.	S	Bend	trans	-74.8	143.3	178.3	-169.7	0	0	0	0	110.2	E345 F400	E345-S398 PolarHBondContact OE2-OG 3.44Å; S398-F400 VanDerWaalsContact N-CE1 3.27Å
399	P	92.3	Very high	81.4	Confident	86 Å²	86	62.6 Å²	62.6	56%	0.558	34%	0.335	S	S	*	.	S	Bend	cis	-64.9	130.4	-3.5	28.6	-34.1	0	0	0	111.8	E345 N395 K397	E345-P399 WeakPolarHBondContact OE2-CA 3.12Å; N395-P399 PolarHBondContact ND2-O 3.12Å; K397-P399 CarbonylContact O-C 3.54Å
400	F	94.6	Very high	79.4	Confident	16 Å²	16	64 Å²	64	7%	0.07	35%	0.35	C	S	.	.			trans	-81.1	-36.3	-173.7	-58.7	-62.5	0	0	0	111.5	R338 R341 Y342 E345 F355 V394 N395 K397 S398	R338-F400 VanDerWaalsContact NH1-CD1 3.32Å; R341-F400 HydrophobicContact CB-CE2 3.89Å; Y342-F400 HydrophobicContact CD1-CB 3.58Å; Y342-F400 HydrophobicContact CD1-CD1 4.49Å; Y342-F400 AromaticContact CD1-CD2 3.66Å; Y342-F400 HydrophobicContact CD1-CD2 3.66Å; Y342-F400 HydrophobicContact CD1-CE2 4.46Å; Y342-F400 AromaticContact CD1-CG 3.67Å; Y342-F400 HydrophobicContact CD1-CG 3.67Å; Y342-F400 HydrophobicContact CE1-CB 3.44Å; Y342-F400 VanDerWaalsContact CE1-CB 3.44Å; Y342-F400 AromaticContact CE1-CD1 3.85Å; Y342-F400 HydrophobicContact CE1-CD1 3.85Å; Y342-F400 AromaticContact CE1-CD2 3.84Å; Y342-F400 HydrophobicContact CE1-CD2 3.84Å; Y342-F400 AromaticContact CE1-CG 3.44Å; Y342-F400 HydrophobicContact CE1-CG 3.44Å; Y342-F400 VanDerWaalsContact CE1-CG 3.44Å; E345-F400 VanDerWaalsContact CD-N 3.3Å; E345-F400 PolarHBondContact OE1-N 3.21Å; E345-F400 WeakPolarHBondContact OE2-CD2 3.43Å; E345-F400 PolarHBondContact OE2-N 3.31Å; F355-F400 HydrophobicContact CE1-CB 3.93Å; F355-F400 HydrophobicContact CZ-CB 4.02Å; V394-F400 CarbonylContact C-O 3.48Å; V394-F400 VanDerWaalsContact CA-O 3.29Å; V394-F400 WeakPolarHBondContact CA-O 3.36Å; V394-F400 WeakPolarHBondContact CB-O 3.42Å; N395-F400 PolarHBondContact N-O 2.89Å; N395-F400 WeakPolarHBondContact O-CD1 3.46Å; K397-F400 WeakPolarHBondContact O-CD1 3.47Å; S398-F400 VanDerWaalsContact N-CE1 3.27Å
401	G	91.6	Very high	77.3	Confident	5 Å²	5	66.8 Å²	66.8	5%	0.052	38%	0.375	C	S	.	.	B	Isolated β-bridge	trans	-72.5	146.3	177.4	0	0	0	0	0	112	E345 N354	E345-G401 PolarHBondContact OE1-N 3.5Å; N354-G401 CarbonylContact O-C 3.39Å; N354-G401 WeakPolarHBondContact O-CA 3.33Å
402	Q	86.4	Confident	75.1	Confident	73 Å²	73	75 Å²	75	34%	0.341	41%	0.407	S	S	.	.			trans	-95	5.9	-172.5	-70.4	-169.6	2.6	0	0	115.9	N354 N395 S404	N354-Q402 PolarHBondContact O-N 3.04Å; N354-Q402 VanDerWaalsContact O-N 3.08Å; N395-Q402 WeakPolarHBondContact OD1-CG 3.37Å; N395-Q402 PolarHBondContact OD1-NE2 3.43Å; Q402-S404 PolarHBondContact O-N 2.91Å; Q402-S404 PolarHBondContact O-OG 3.05Å
403	R	72.4	Confident	72.9	Confident	93 Å²	93	83 Å²	83	35%	0.351	44%	0.444	S	S	.	.			trans	34.8	50.4	175	-73	-172.4	171	-156.3	-10.2	114.4	Q184 G350 N354	Q184-R403 VanDerWaalsContact NE2-NH1 3.16Å; G350-R403 PolarHBondContact O-NH2 3.5Å; N354-R403 HydrophobicContact CB-CG 4.49Å; N354-R403 PolarHBondContact O-N 2.96Å; N354-R403 WeakPolarHBondContact OD1-CG 3.43Å; N354-R403 PolarHBondContact OD1-NE 3.41Å; N354-R403 PolarHBondContact OD1-NH2 3.06Å
404	S	60.1	Low	70.5	Confident	37 Å²	37	82.7 Å²	82.7	26%	0.259	45%	0.454	S	S	.	.			trans	-81.9	141.6	-176.7	-42.3	0	0	0	0	110.9	R375 Q402	R375-S404 PolarHBondContact NH1-O 3.17Å; R375-S404 PolarHBondContact NH2-O 3.3Å; Q402-S404 PolarHBondContact O-N 2.91Å; Q402-S404 PolarHBondContact O-OG 3.05Å
405	P	54.6	Low	68	Low	98 Å²	98	89.1 Å²	89.1	64%	0.636	49%	0.485	S	S	*	.			trans	-54.2	158.5	168.1	-24	33.6	0	0	0	112.3	R375 H407	R375-P405 PolarHBondContact NH2-O 2.95Å; P405-H407 PolarHBondContact O-N 3.42Å
406	A	52.9	Low	65.3	Low	78 Å²	78	94.5 Å²	94.5	65%	0.645	51%	0.508	S	S	*	.			trans	-69.4	114.4	174.3	0	0	0	0	0	110
407	H	53.5	Low	62.9	Low	120 Å²	120	100.5 Å²	100.5	56%	0.556	53%	0.528	S	S	*	.			trans	-83.2	145.3	167.8	-65.8	-69	0	0	0	109.7	P405 Q409	P405-H407 PolarHBondContact O-N 3.42Å; H407-Q409 PolarHBondContact O-N 3.2Å; H407-Q409 VanDerWaalsContact O-N 3.13Å
408	K	52	Low	60.4	Low	207 Å²	207	96.2 Å²	96.2	90%	0.9	53%	0.525	S	S	*	.			trans	-64.2	112.8	175.8	-78.1	-175.3	177.1	-179.9	0	108.8
409	Q	51.8	Low	57.9	Low	68 Å²	68	102.4 Å²	102.4	32%	0.318	55%	0.546	S	S	.	.	P	Polyproline II helix	trans	-84.1	144.2	167.7	-73.5	167.5	-23.2	0	0	109.1	V358 G373 H407 A411	V358-Q409 VanDerWaalsContact CB-NE2 3.3Å; G373-Q409 PolarHBondContact O-OE1 3.26Å; H407-Q409 PolarHBondContact O-N 3.2Å; H407-Q409 VanDerWaalsContact O-N 3.13Å; Q409-A411 PolarHBondContact O-N 3.44Å
410	A	52.6	Low	55.3	Low	58 Å²	58	109.1 Å²	109.1	48%	0.479	58%	0.578	S	S	.	*	P	Polyproline II helix	trans	-63.2	120.5	170	0	0	0	0	0	108.6	F372	F372-A410 HydrophobicContact CD1-CB 4.35Å; F372-A410 HydrophobicContact CE1-CB 4.03Å
411	A	51.8	Low	53.3	Low	67 Å²	67	113.8 Å²	113.8	55%	0.554	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-65.5	141.8	169.5	0	0	0	0	0	108.5	Q409 H413 G414	Q409-A411 PolarHBondContact O-N 3.44Å; A411-H413 PolarHBondContact O-N 3.29Å; A411-G414 PolarHBondContact O-N 3.06Å
412	Y	50.3	Low	51.3	Low	176 Å²	176	119.5 Å²	119.5	69%	0.69	63%	0.632	S	S	*	*	G	3₁₀ helix	trans	-49.7	-27.2	177.6	-174.8	-100.7	0	0	0	112.9	G414	Y412-G414 PolarHBondContact O-N 3.01Å; Y412-G414 VanDerWaalsContact O-N 3.15Å
413	H	49.4	Very low	49.4	Very low	166 Å²	166	122.1 Å²	122.1	77%	0.769	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-65.8	-9.7	176.7	-65.5	-59.8	0	0	0	115.8	A411	A411-H413 PolarHBondContact O-N 3.29Å
414	G	45.5	Very low	48	Very low	42 Å²	42	123.8 Å²	123.8	43%	0.433	67%	0.666	S	S	.	*	G	3₁₀ helix	trans	-79.3	-8.5	179.6	0	0	0	0	0	115.8	A411 Y412 H417	A411-G414 PolarHBondContact O-N 3.06Å; Y412-G414 PolarHBondContact O-N 3.01Å; Y412-G414 VanDerWaalsContact O-N 3.15Å; G414-H417 PolarHBondContact O-CD2 2.82Å; G414-H417 VanDerWaalsContact O-CD2 3.26Å
415	M	42.7	Very low	47.3	Very low	140 Å²	140	129.2 Å²	129.2	69%	0.69	69%	0.691	S	S	*	*	G	3₁₀ helix	trans	-98.9	-0.4	-173.9	-81.7	-165.8	145.9	0	0	115.7	F372 H417	F372-M415 HydrophobicContact CE1-SD 4.23Å; F372-M415 HydrophobicContact CE2-SD 4.36Å; F372-M415 HydrophobicContact CZ-CE 3.89Å; F372-M415 HydrophobicContact CZ-CG 4.49Å; F372-M415 HydrophobicContact CZ-SD 3.69Å; M415-H417 PolarHBondContact O-N 2.82Å
416	H	39.9	Very low	46.8	Very low	173 Å²	173	131.3 Å²	131.3	80%	0.801	70%	0.695	S	S	*	*			trans	-82.8	58.2	163.7	-78.7	-74.6	0	0	0	110.6	A418	H416-A418 PolarHBondContact O-N 3.11Å
417	H	44.5	Very low	46.3	Very low	169 Å²	169	135.1 Å²	135.1	78%	0.782	70%	0.698	S	S	*	*			trans	-79.8	111.7	160.1	-80.8	-60.2	0	0	0	107.8	G414 M415 Q419	G414-H417 PolarHBondContact O-CD2 2.82Å; G414-H417 VanDerWaalsContact O-CD2 3.26Å; M415-H417 PolarHBondContact O-N 2.82Å; H417-Q419 PolarHBondContact O-N 3.1Å
418	A	40.8	Very low	45.8	Very low	81 Å²	81	136.2 Å²	136.2	67%	0.669	71%	0.709	S	S	*	*			trans	-41.3	121.1	-174.3	0	0	0	0	0	112.9	H416 N420	H416-A418 PolarHBondContact O-N 3.11Å; A418-N420 VanDerWaalsContact C-N 3.32Å; A418-N420 PolarHBondContact O-N 2.77Å; A418-N420 VanDerWaalsContact O-N 3.15Å
419	Q	37	Very low	45.3	Very low	197 Å²	197	130.3 Å²	130.3	92%	0.921	69%	0.693	S	S	*	*			trans	-67.7	98.9	149.5	-71.5	-179.9	-15.6	0	0	106.4	H417	H417-Q419 PolarHBondContact O-N 3.1Å
420	N	37.1	Very low	44.7	Very low	227 Å²	227	136 Å²	136	100%	1.214	73%	0.727	S	S	*	*			trans	-123.6	0	159.9	-88.5	-4.8	0	0	0	108.1	A418	A418-N420 VanDerWaalsContact C-N 3.32Å; A418-N420 PolarHBondContact O-N 2.77Å; A418-N420 VanDerWaalsContact O-N 3.15Å

Retrieved 420 of 420 residues in 85.4 ms (Link to these results)

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